A0A5K4FDC5_SCHMA Loading...

FAD synthase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FDC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 534 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62.6	Low	92.1	Very high	183 Å²	183	44 Å²	44	90%	0.901	25%	0.246	S	C	*	.				0	129.8	0	-69.8	172.7	-173.9	0	0	108.3	S3 V208 E232	M1-S3 PolarHBondContact O-N 3.43Å; M1-V208 HydrophobicContact CE-CG2 4.26Å; M1-E232 WeakPolarHBondContact CE-OE1 3.3Å
2	V	78.4	Confident	92.6	Very high	80 Å²	80	40.5 Å²	40.5	49%	0.485	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-72.3	120.8	172	-173.1	0	0	0	0	107.1	V178 L231	V2-V178 HydrophobicContact CB-CG2 4.5Å; V2-V178 HydrophobicContact CG1-CG2 3.52Å; V2-L231 WeakPolarHBondContact O-CD1 3.5Å
3	S	88	Confident	92.9	Very high	101 Å²	101	37.5 Å²	37.5	71%	0.706	21%	0.209	S	C	*	.	P	Polyproline II helix	trans	-88.2	119.8	174.9	-176.6	0	0	0	0	108.8	M1	M1-S3 PolarHBondContact O-N 3.43Å
4	P	94.6	Very high	93.3	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.071	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-64	140.6	177.7	26.2	-33.2	0	0	0	110.1	R39 V178 F180 L231	P4-R39 HydrophobicContact CB-CB 4.16Å; P4-R39 HydrophobicContact CG-CB 4.03Å; P4-V178 HydrophobicContact CB-CG1 3.85Å; P4-V178 HydrophobicContact CB-CG2 4.5Å; P4-F180 HydrophobicContact CB-CE2 4.35Å; P4-F180 HydrophobicContact CB-CZ 3.77Å; P4-F180 HydrophobicContact CG-CZ 4.01Å; P4-L231 HydrophobicContact CG-CD1 4.16Å
5	K	97.6	Very high	93.4	Very high	84 Å²	84	42.9 Å²	42.9	37%	0.365	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	143.6	169.4	-72	-177.2	-179	176.1	0	110.3	V38 R39 D65 Y66	K5-V38 HydrophobicContact CB-CG1 4.3Å; K5-V38 WeakPolarHBondContact O-CA 3.48Å; K5-R39 PolarHBondContact O-N 2.92Å; K5-D65 HydrophobicContact CB-CB 3.94Å; K5-D65 HydrophobicContact CD-CB 4.4Å; K5-D65 HydrophobicContact CG-CB 4.25Å; K5-Y66 HydrophobicContact CB-CD2 4.31Å; K5-Y66 HydrophobicContact CB-CE2 3.97Å; K5-Y66 HydrophobicContact CD-CD2 4.46Å; K5-Y66 HydrophobicContact CD-CE2 3.46Å; K5-Y66 VanDerWaalsContact CD-CE2 3.46Å; K5-Y66 HydrophobicContact CG-CE2 4.39Å; K5-Y66 PolarHBondContact NZ-OH 3.47Å
6	S	98	Very high	93.6	Very high	22 Å²	22	42.6 Å²	42.6	15%	0.154	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	141.9	-178.9	60.4	0	0	0	0	111.9	R39 Y64 D65 Y66	S6-R39 WeakPolarHBondContact CA-O 3.22Å; S6-Y64 WeakPolarHBondContact OG-CA 3.39Å; S6-D65 WeakPolarHBondContact CB-OD2 3.35Å; S6-D65 PolarHBondContact N-OD2 3.39Å; S6-D65 WeakPolarHBondContact O-CB 3.48Å; S6-D65 PolarHBondContact O-N 3.04Å; S6-D65 VanDerWaalsContact O-N 3.13Å; S6-D65 PolarHBondContact OG-N 3.37Å; S6-D65 PolarHBondContact OG-OD2 2.95Å; S6-Y66 PolarHBondContact O-N 3.02Å
7	L	98.6	Very high	93.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.3	178.9	173.7	65	0	0	0	109.8	L29 A33 V38 R39 L40 R41 Y66 I68	L7-L29 HydrophobicContact CD2-CD1 3.96Å; L7-L29 HydrophobicContact CD2-CD2 4.01Å; L7-L29 HydrophobicContact CD2-CG 4.12Å; L7-A33 HydrophobicContact CD2-CB 3.96Å; L7-V38 HydrophobicContact CB-CG2 4.37Å; L7-V38 HydrophobicContact CD2-CG2 3.99Å; L7-R39 PolarHBondContact N-O 2.85Å; L7-L40 HydrophobicContact CB-CD1 4.45Å; L7-L40 HydrophobicContact CD2-CD1 4.2Å; L7-L40 HydrophobicContact CG-CD1 3.95Å; L7-L40 CarbonylContact O-C 3.52Å; L7-L40 WeakPolarHBondContact O-CA 3.33Å; L7-R41 PolarHBondContact O-N 2.91Å; L7-Y66 WeakPolarHBondContact CA-O 3.41Å; L7-I68 HydrophobicContact CD1-CB 4.37Å; L7-I68 HydrophobicContact CD1-CD1 3.79Å; L7-I68 HydrophobicContact CD1-CG1 3.83Å; L7-I68 HydrophobicContact CD2-CD1 4.14Å
8	G	98.7	Very high	93.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.6	167.5	0	0	0	0	0	111.4	Y66 V67 I68	G8-Y66 PolarHBondContact N-O 2.88Å; G8-V67 CarbonylContact O-C 3.2Å; G8-V67 WeakPolarHBondContact O-CA 3.35Å; G8-I68 PolarHBondContact O-N 3.35Å
9	L	98.8	Very high	93.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.3	173.1	175.9	61.4	0	0	0	110.7	V11 S26 L29 L40 K42 I43 S44 F60 I68	L9-V11 HydrophobicContact CD1-CG2 4.41Å; L9-V11 HydrophobicContact CD2-CG2 3.89Å; L9-V11 HydrophobicContact CG-CG2 3.93Å; L9-S26 WeakPolarHBondContact CD2-OG 3.45Å; L9-L29 HydrophobicContact CB-CD2 3.79Å; L9-L29 HydrophobicContact CD1-CD2 3.88Å; L9-L29 HydrophobicContact CD2-CB 4.4Å; L9-L29 HydrophobicContact CD2-CD2 3.84Å; L9-L29 HydrophobicContact CG-CD2 4.03Å; L9-L40 HydrophobicContact CB-CD1 3.99Å; L9-K42 PolarHBondContact N-O 3.4Å; L9-I43 HydrophobicContact CB-CG1 4.28Å; L9-I43 HydrophobicContact CB-CG2 4.46Å; L9-I43 HydrophobicContact CD2-CD1 4.47Å; L9-I43 HydrophobicContact CD2-CG1 4.33Å; L9-I43 HydrophobicContact CD2-CG2 4.04Å; L9-I43 HydrophobicContact CG-CG2 4.31Å; L9-I43 CarbonylContact O-C 3.56Å; L9-I43 WeakPolarHBondContact O-CA 3.23Å; L9-S44 PolarHBondContact O-N 3.3Å; L9-F60 WeakPolarHBondContact O-CE1 3.37Å; L9-I68 CarbonylContact C-O 3.54Å; L9-I68 WeakPolarHBondContact CA-O 3.32Å; L9-I68 HydrophobicContact CD1-CB 4.25Å; L9-I68 HydrophobicContact CD1-CG2 3.84Å; L9-I68 WeakPolarHBondContact CD1-O 3.44Å
10	I	98.8	Very high	93.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	108.2	170.8	-53.1	175.8	0	0	0	107.9	I12 S44 I46 E56 V57 F60 V67 I68 T69 S70	I10-I12 HydrophobicContact CG2-CD1 4.26Å; I10-I12 HydrophobicContact CG2-CG1 3.88Å; I10-S44 CarbonylContact C-O 3.6Å; I10-S44 WeakPolarHBondContact CA-O 3.26Å; I10-I46 HydrophobicContact CG2-CD1 3.48Å; I10-I46 VanDerWaalsContact CG2-CD1 3.48Å; I10-I46 HydrophobicContact CG2-CG1 3.8Å; I10-E56 HydrophobicContact CD1-CB 4.37Å; I10-E56 HydrophobicContact CD1-CG 4.03Å; I10-E56 HydrophobicContact CG1-CG 4.23Å; I10-E56 HydrophobicContact CG2-CG 4.41Å; I10-V57 HydrophobicContact CD1-CB 4.46Å; I10-V57 HydrophobicContact CD1-CG2 3.8Å; I10-F60 HydrophobicContact CD1-CB 4.06Å; I10-F60 HydrophobicContact CD1-CD1 3.95Å; I10-F60 HydrophobicContact CD1-CD2 4.46Å; I10-F60 HydrophobicContact CD1-CG 3.9Å; I10-F60 HydrophobicContact CG1-CD1 3.59Å; I10-F60 HydrophobicContact CG1-CE1 3.78Å; I10-F60 HydrophobicContact CG1-CG 4.02Å; I10-F60 HydrophobicContact CG1-CZ 4.36Å; I10-V67 HydrophobicContact CD1-CG1 4Å; I10-V67 HydrophobicContact CG1-CG1 4.33Å; I10-I68 PolarHBondContact N-O 3.04Å; I10-T69 HydrophobicContact CB-CG2 4.45Å; I10-T69 CarbonylContact O-C 3.59Å; I10-T69 WeakPolarHBondContact O-CA 3.33Å; I10-S70 PolarHBondContact O-N 3.2Å
11	V	98.7	Very high	93.6	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.8	172.5	-175.5	0	0	0	0	108.1	L9 I16 S26 I43 S44 V45 I46	L9-V11 HydrophobicContact CD1-CG2 4.41Å; L9-V11 HydrophobicContact CD2-CG2 3.89Å; L9-V11 HydrophobicContact CG-CG2 3.93Å; V11-I16 HydrophobicContact CG1-CG1 4.05Å; V11-I16 HydrophobicContact CG1-CG2 4.37Å; V11-S26 WeakPolarHBondContact CG2-OG 3.2Å; V11-I43 HydrophobicContact CG2-CG2 4.25Å; V11-S44 PolarHBondContact N-O 3.11Å; V11-V45 HydrophobicContact CB-CB 4.48Å; V11-V45 HydrophobicContact CB-CG1 4.29Å; V11-V45 HydrophobicContact CB-CG2 4.16Å; V11-V45 HydrophobicContact CG1-CG1 4.36Å; V11-V45 WeakPolarHBondContact O-CA 3.27Å; V11-I46 PolarHBondContact O-N 3.24Å
12	I	98.6	Very high	95	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.2	-173.8	-55.1	167.7	0	0	0	106.4	I10 I46 D48 I53 T69 S70 G71 T81	I10-I12 HydrophobicContact CG2-CD1 4.26Å; I10-I12 HydrophobicContact CG2-CG1 3.88Å; I12-I46 HydrophobicContact CG1-CD1 4.11Å; I12-I46 HydrophobicContact CG1-CG1 3.92Å; I12-D48 WeakPolarHBondContact CG2-OD1 3.2Å; I12-I53 HydrophobicContact CD1-CD1 4.17Å; I12-I53 HydrophobicContact CD1-CG1 4.01Å; I12-I53 HydrophobicContact CD1-CG2 4.15Å; I12-I53 HydrophobicContact CG1-CG1 4.29Å; I12-I53 HydrophobicContact CG2-CD1 3.63Å; I12-I53 HydrophobicContact CG2-CG1 4.01Å; I12-T69 HydrophobicContact CD1-CG2 4.36Å; I12-S70 PolarHBondContact N-O 2.68Å; I12-G71 WeakPolarHBondContact O-CA 3.43Å; I12-T81 HydrophobicContact CD1-CG2 3.64Å; I12-T81 VanDerWaalsContact CD1-OG1 3.26Å; I12-T81 WeakPolarHBondContact CD1-OG1 3.46Å
13	G	96.9	Very high	95.8	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.01	29%	0.285	C	S	.	.			trans	167	116.3	-177.2	0	0	0	0	0	112.8	E15 I16 L17 I46 D48	G13-E15 WeakPolarHBondContact CA-OE2 3.47Å; G13-E15 PolarHBondContact O-N 3.48Å; G13-I16 WeakPolarHBondContact O-CB 3.22Å; G13-I16 PolarHBondContact O-N 3.36Å; G13-I16 VanDerWaalsContact O-N 3.08Å; G13-L17 PolarHBondContact O-N 3.26Å; G13-I46 PolarHBondContact N-O 3.34Å; G13-D48 VanDerWaalsContact CA-OD2 3.23Å; G13-D48 WeakPolarHBondContact CA-OD2 3.26Å
14	D	97.4	Very high	96.1	Very high	79 Å²	79	50 Å²	50	42%	0.422	27%	0.269	S	S	.	.	H	α-helix	trans	-59.7	-32.9	173.6	-79.9	-14.4	0	0	0	112	I16 L17 N18 P47 D48	D14-I16 PolarHBondContact O-N 2.97Å; D14-L17 PolarHBondContact O-N 2.55Å; D14-N18 WeakPolarHBondContact O-CB 3.36Å; D14-N18 PolarHBondContact O-N 3.17Å; D14-N18 PolarHBondContact O-ND2 3.32Å; D14-N18 PolarHBondContact O-OD1 2.86Å; D14-P47 WeakPolarHBondContact OD1-CA 3.1Å; D14-P47 WeakPolarHBondContact OD1-CB 3.31Å; D14-D48 PolarHBondContact N-OD2 2.93Å; D14-D48 PolarHBondContact OD1-N 3Å
15	E	95.5	Very high	96.2	Very high	78 Å²	78	49.8 Å²	49.8	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-64.5	-25.7	175.9	74.9	-76.3	-178.2	0	0	113.9	G13 N18 G19 K20 A21	G13-E15 WeakPolarHBondContact CA-OE2 3.47Å; G13-E15 PolarHBondContact O-N 3.48Å; E15-N18 VanDerWaalsContact CA-OD1 3.32Å; E15-N18 WeakPolarHBondContact CA-OD1 3.38Å; E15-N18 PolarHBondContact O-OD1 3.28Å; E15-G19 PolarHBondContact O-N 2.99Å; E15-K20 HydrophobicContact CB-CB 4.27Å; E15-K20 PolarHBondContact O-N 3.22Å; E15-A21 HydrophobicContact CB-CB 4.17Å; E15-A21 HydrophobicContact CG-CB 3.62Å; E15-A21 PolarHBondContact O-N 2.86Å
16	I	96.5	Very high	96.2	Very high	37 Å²	37	46.4 Å²	46.4	19%	0.19	25%	0.254	C	S	.	.	H	α-helix	trans	-76.4	-45.4	173.5	-53.9	-62.5	0	0	0	109.3	V11 G13 D14 G19 A21 D23 V45	V11-I16 HydrophobicContact CG1-CG1 4.05Å; V11-I16 HydrophobicContact CG1-CG2 4.37Å; G13-I16 WeakPolarHBondContact O-CB 3.22Å; G13-I16 PolarHBondContact O-N 3.36Å; G13-I16 VanDerWaalsContact O-N 3.08Å; D14-I16 PolarHBondContact O-N 2.97Å; I16-G19 PolarHBondContact O-N 2.78Å; I16-A21 HydrophobicContact CD1-CB 3.98Å; I16-D23 HydrophobicContact CD1-CB 4.22Å; I16-D23 HydrophobicContact CG2-CB 3.99Å; I16-V45 HydrophobicContact CB-CG1 4.13Å; I16-V45 HydrophobicContact CG2-CG1 3.6Å
17	L	97.3	Very high	96.1	Very high	93 Å²	93	53.3 Å²	53.3	49%	0.487	28%	0.277	S	S	.	.	H	α-helix	trans	-67.4	-35.3	-180	-69.4	179.4	0	0	0	113.1	G13 D14 V45 P47	G13-L17 PolarHBondContact O-N 3.26Å; D14-L17 PolarHBondContact O-N 2.55Å; L17-V45 HydrophobicContact CD2-CB 4.31Å; L17-V45 HydrophobicContact CD2-CG1 3.73Å; L17-V45 HydrophobicContact CG-CG1 4.22Å; L17-P47 HydrophobicContact CD1-CB 3.88Å; L17-P47 HydrophobicContact CD1-CG 4.41Å
18	N	96.1	Very high	96	Very high	81 Å²	81	56 Å²	56	43%	0.433	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.2	178.5	69.9	36.1	0	0	0	113.8	D14 E15 K20	D14-N18 WeakPolarHBondContact O-CB 3.36Å; D14-N18 PolarHBondContact O-N 3.17Å; D14-N18 PolarHBondContact O-ND2 3.32Å; D14-N18 PolarHBondContact O-OD1 2.86Å; E15-N18 VanDerWaalsContact CA-OD1 3.32Å; E15-N18 WeakPolarHBondContact CA-OD1 3.38Å; E15-N18 PolarHBondContact O-OD1 3.28Å; N18-K20 VanDerWaalsContact C-N 3.28Å; N18-K20 PolarHBondContact O-N 2.63Å; N18-K20 WeakPolarHBondContact OD1-CB 3.33Å; N18-K20 VanDerWaalsContact OD1-CD 3.3Å; N18-K20 WeakPolarHBondContact OD1-CD 3.37Å; N18-K20 WeakPolarHBondContact OD1-CG 3.27Å; N18-K20 PolarHBondContact OD1-N 3.32Å
19	G	93.4	Very high	96	Very high	61 Å²	61	56 Å²	56	63%	0.629	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	8.4	175.1	0	0	0	0	0	115.6	E15 I16 A21	E15-G19 PolarHBondContact O-N 2.99Å; I16-G19 PolarHBondContact O-N 2.78Å; G19-A21 PolarHBondContact O-N 3.11Å
20	K	92	Very high	95.9	Very high	176 Å²	176	59 Å²	59	77%	0.765	31%	0.309	S	S	*	.	S	Bend	trans	-66.4	-27.4	172.8	-72.8	170.9	-171.1	169.4	0	112.1	E15 N18	E15-K20 HydrophobicContact CB-CB 4.27Å; E15-K20 PolarHBondContact O-N 3.22Å; N18-K20 VanDerWaalsContact C-N 3.28Å; N18-K20 PolarHBondContact O-N 2.63Å; N18-K20 WeakPolarHBondContact OD1-CB 3.33Å; N18-K20 VanDerWaalsContact OD1-CD 3.3Å; N18-K20 WeakPolarHBondContact OD1-CD 3.37Å; N18-K20 WeakPolarHBondContact OD1-CG 3.27Å; N18-K20 PolarHBondContact OD1-N 3.32Å
21	A	90.3	Very high	95.7	Very high	37 Å²	37	63.3 Å²	63.3	31%	0.306	33%	0.332	S	S	.	.	S	Bend	trans	-123.8	139.4	173.6	0	0	0	0	0	111.1	E15 I16 G19	E15-A21 HydrophobicContact CB-CB 4.17Å; E15-A21 HydrophobicContact CG-CB 3.62Å; E15-A21 PolarHBondContact O-N 2.86Å; I16-A21 HydrophobicContact CD1-CB 3.98Å; G19-A21 PolarHBondContact O-N 3.11Å
22	K	91.5	Very high	95.5	Very high	192 Å²	192	63.6 Å²	63.6	84%	0.835	33%	0.333	S	S	*	.			trans	-83.3	123.1	171.2	-179.1	179.9	179.7	178.9	0	109.2	S24	K22-S24 PolarHBondContact O-N 2.9Å
23	D	95.7	Very high	95.4	Very high	41 Å²	41	63.5 Å²	63.5	22%	0.219	33%	0.333	C	S	.	.			trans	-65.8	106.7	173.3	-179.1	5	0	0	0	111.1	I16 N25 S26	I16-D23 HydrophobicContact CD1-CB 4.22Å; I16-D23 HydrophobicContact CG2-CB 3.99Å; D23-N25 PolarHBondContact OD1-N 3.09Å; D23-S26 PolarHBondContact OD1-N 3.18Å; D23-S26 WeakPolarHBondContact OD2-CB 3.42Å; D23-S26 PolarHBondContact OD2-OG 2.97Å
24	S	93	Very high	95.3	Very high	52 Å²	52	65.8 Å²	65.8	36%	0.364	35%	0.348	S	S	.	.			trans	-101.5	-19.5	174.1	53	0	0	0	0	112.8	K22 R27 Q28 P159	K22-S24 PolarHBondContact O-N 2.9Å; S24-R27 PolarHBondContact O-N 3.12Å; S24-Q28 PolarHBondContact O-N 3.46Å; S24-P159 VanDerWaalsContact OG-CG 3.25Å; S24-P159 WeakPolarHBondContact OG-CG 3.35Å
25	N	97.2	Very high	95.2	Very high	7 Å²	7	67.7 Å²	67.7	4%	0.037	36%	0.357	C	S	.	.	H	α-helix	trans	-72.4	-38.4	-176.5	-65.9	-6.7	0	0	0	111.2	D23 R27 Q28 L29 S70 G157 P159 F162	D23-N25 PolarHBondContact OD1-N 3.09Å; N25-R27 PolarHBondContact O-N 3.44Å; N25-Q28 PolarHBondContact O-N 3.05Å; N25-L29 PolarHBondContact O-N 3.15Å; N25-S70 PolarHBondContact ND2-OG 2.77Å; N25-G157 PolarHBondContact ND2-O 3.35Å; N25-P159 WeakPolarHBondContact OD1-CA 3.2Å; N25-F162 HydrophobicContact CB-CD1 3.72Å; N25-F162 HydrophobicContact CB-CD2 4.18Å; N25-F162 HydrophobicContact CB-CE1 3.75Å; N25-F162 HydrophobicContact CB-CE2 4.25Å; N25-F162 HydrophobicContact CB-CG 3.94Å; N25-F162 HydrophobicContact CB-CZ 4.03Å
26	S	98.1	Very high	95.2	Very high	12 Å²	12	64.1 Å²	64.1	8%	0.084	34%	0.341	C	S	.	.	H	α-helix	trans	-57	-48.7	172.1	-77.3	0	0	0	0	112.1	L9 V11 D23 Q28 L29 C30 I43	L9-S26 WeakPolarHBondContact CD2-OG 3.45Å; V11-S26 WeakPolarHBondContact CG2-OG 3.2Å; D23-S26 PolarHBondContact OD1-N 3.18Å; D23-S26 WeakPolarHBondContact OD2-CB 3.42Å; D23-S26 PolarHBondContact OD2-OG 2.97Å; S26-Q28 VanDerWaalsContact C-N 3.34Å; S26-Q28 PolarHBondContact O-N 2.95Å; S26-L29 PolarHBondContact O-N 3Å; S26-C30 PolarHBondContact O-N 3.38Å; S26-C30 PolarHBondContact O-SG 2.86Å; S26-I43 WeakPolarHBondContact OG-CG2 3.36Å
27	R	96	Very high	95.2	Very high	168 Å²	168	62.4 Å²	62.4	63%	0.634	33%	0.332	S	S	*	.	H	α-helix	trans	-61.8	-44.9	177.2	-179.7	177.7	178.1	-85.5	1.3	110.7	S24 N25 L29 C30 L31	S24-R27 PolarHBondContact O-N 3.12Å; N25-R27 PolarHBondContact O-N 3.44Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 2.9Å; R27-C30 WeakPolarHBondContact O-CB 3.45Å; R27-C30 PolarHBondContact O-N 2.91Å; R27-L31 HydrophobicContact CG-CD1 4.32Å; R27-L31 WeakPolarHBondContact O-CG 3.13Å; R27-L31 PolarHBondContact O-N 2.93Å; R27-L31 VanDerWaalsContact O-N 3.14Å
28	Q	95.8	Very high	95.2	Very high	57 Å²	57	58 Å²	58	27%	0.266	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-47.2	178	-176.2	65.7	34.3	0	0	111.3	S24 N25 S26 C30 L31 T32 N163 L166	S24-Q28 PolarHBondContact O-N 3.46Å; N25-Q28 PolarHBondContact O-N 3.05Å; S26-Q28 VanDerWaalsContact C-N 3.34Å; S26-Q28 PolarHBondContact O-N 2.95Å; Q28-C30 VanDerWaalsContact C-N 3.33Å; Q28-C30 PolarHBondContact O-N 3.4Å; Q28-L31 PolarHBondContact O-N 3.33Å; Q28-L31 VanDerWaalsContact O-N 3.12Å; Q28-T32 PolarHBondContact NE2-OG1 2.93Å; Q28-T32 WeakPolarHBondContact O-CB 3.41Å; Q28-T32 PolarHBondContact O-N 3.11Å; Q28-T32 PolarHBondContact O-OG1 3.44Å; Q28-N163 WeakPolarHBondContact CG-OD1 3.42Å; Q28-L166 HydrophobicContact CG-CD1 3.89Å
29	L	98	Very high	95.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.7	-35.8	179.4	-172.4	62.6	0	0	0	112.3	L7 L9 N25 S26 R27 L31 T32 A33 L40 I68 F162 L166	L7-L29 HydrophobicContact CD2-CD1 3.96Å; L7-L29 HydrophobicContact CD2-CD2 4.01Å; L7-L29 HydrophobicContact CD2-CG 4.12Å; L9-L29 HydrophobicContact CB-CD2 3.79Å; L9-L29 HydrophobicContact CD1-CD2 3.88Å; L9-L29 HydrophobicContact CD2-CB 4.4Å; L9-L29 HydrophobicContact CD2-CD2 3.84Å; L9-L29 HydrophobicContact CG-CD2 4.03Å; N25-L29 PolarHBondContact O-N 3.15Å; S26-L29 PolarHBondContact O-N 3Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 2.9Å; L29-L31 PolarHBondContact O-N 2.93Å; L29-T32 PolarHBondContact O-N 2.83Å; L29-A33 WeakPolarHBondContact O-CB 3.43Å; L29-A33 PolarHBondContact O-N 3.39Å; L29-L40 HydrophobicContact CD2-CD1 4.14Å; L29-L40 HydrophobicContact CG-CD2 4.47Å; L29-I68 HydrophobicContact CD1-CD1 3.83Å; L29-I68 HydrophobicContact CD2-CB 4.43Å; L29-I68 HydrophobicContact CD2-CD1 4.14Å; L29-I68 HydrophobicContact CD2-CG2 4.49Å; L29-F162 HydrophobicContact CB-CE1 4.42Å; L29-F162 HydrophobicContact CB-CZ 4.42Å; L29-L166 HydrophobicContact CD1-CD2 3.8Å
30	C	96.8	Very high	95.4	Very high	62 Å²	62	57.4 Å²	57.4	42%	0.419	28%	0.284	S	S	.	.	H	α-helix	trans	-57.9	-38.4	172.8	-68.5	0	0	0	0	112	S26 R27 Q28 P34 L40	S26-C30 PolarHBondContact O-N 3.38Å; S26-C30 PolarHBondContact O-SG 2.86Å; R27-C30 WeakPolarHBondContact O-CB 3.45Å; R27-C30 PolarHBondContact O-N 2.91Å; Q28-C30 VanDerWaalsContact C-N 3.33Å; Q28-C30 PolarHBondContact O-N 3.4Å; C30-P34 WeakPolarHBondContact O-CD 3.42Å; C30-L40 VanDerWaalsContact SG-CD2 3.57Å
31	L	94.1	Very high	95.7	Very high	90 Å²	90	56.6 Å²	56.6	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-77.7	-36.5	178.5	-64.4	172.9	0	0	0	112.2	R27 Q28 L29	R27-L31 HydrophobicContact CG-CD1 4.32Å; R27-L31 WeakPolarHBondContact O-CG 3.13Å; R27-L31 PolarHBondContact O-N 2.93Å; R27-L31 VanDerWaalsContact O-N 3.14Å; Q28-L31 PolarHBondContact O-N 3.33Å; Q28-L31 VanDerWaalsContact O-N 3.12Å; L29-L31 PolarHBondContact O-N 2.93Å
32	T	95.6	Very high	96.1	Very high	9 Å²	9	58.3 Å²	58.3	6%	0.055	28%	0.277	C	S	.	.	H	α-helix	trans	-84.7	-34.8	-174.6	-60.8	0	0	0	0	113.4	Q28 L29 L35 F36 L166	Q28-T32 PolarHBondContact NE2-OG1 2.93Å; Q28-T32 WeakPolarHBondContact O-CB 3.41Å; Q28-T32 PolarHBondContact O-N 3.11Å; Q28-T32 PolarHBondContact O-OG1 3.44Å; L29-T32 PolarHBondContact O-N 2.83Å; T32-L35 WeakPolarHBondContact O-CA 3.32Å; T32-L35 VanDerWaalsContact O-CB 3.28Å; T32-L35 WeakPolarHBondContact O-CB 3.4Å; T32-L35 PolarHBondContact O-N 2.96Å; T32-F36 HydrophobicContact CG2-CD1 4.07Å; T32-F36 HydrophobicContact CG2-CD2 4.02Å; T32-F36 HydrophobicContact CG2-CE1 3.49Å; T32-F36 VanDerWaalsContact CG2-CE1 3.49Å; T32-F36 HydrophobicContact CG2-CE2 3.48Å; T32-F36 VanDerWaalsContact CG2-CE2 3.48Å; T32-F36 HydrophobicContact CG2-CG 4.32Å; T32-F36 HydrophobicContact CG2-CZ 3.2Å; T32-F36 PolarHBondContact O-N 3.4Å; T32-L166 HydrophobicContact CG2-CD1 4.32Å
33	A	97	Very high	96.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.3	-44.9	-177.1	0	0	0	0	0	113.8	L7 L29 L35 F36 G37 V38 L40	L7-A33 HydrophobicContact CD2-CB 3.96Å; L29-A33 WeakPolarHBondContact O-CB 3.43Å; L29-A33 PolarHBondContact O-N 3.39Å; A33-L35 VanDerWaalsContact C-N 3.27Å; A33-L35 PolarHBondContact O-N 3.34Å; A33-F36 CarbonylContact O-C 3.58Å; A33-F36 WeakPolarHBondContact O-CA 3.36Å; A33-F36 WeakPolarHBondContact O-CB 2.99Å; A33-F36 PolarHBondContact O-N 2.95Å; A33-G37 PolarHBondContact O-N 2.78Å; A33-V38 CarbonylContact C-O 3.55Å; A33-V38 HydrophobicContact CB-CG2 3.93Å; A33-V38 WeakPolarHBondContact O-CG2 3.16Å; A33-V38 PolarHBondContact O-N 3.14Å; A33-V38 VanDerWaalsContact O-N 3.12Å; A33-L40 HydrophobicContact CB-CB 4.31Å
34	P	95.1	Very high	96.6	Very high	49 Å²	49	51.1 Å²	51.1	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-60.2	-34.7	173.7	-24.5	35.3	0	0	0	113.4	C30 F36 G37 F180	C30-P34 WeakPolarHBondContact O-CD 3.42Å; P34-F36 PolarHBondContact O-N 3.07Å; P34-G37 PolarHBondContact O-N 2.88Å; P34-F180 HydrophobicContact CB-CB 4.06Å; P34-F180 HydrophobicContact CB-CD2 3.9Å; P34-F180 HydrophobicContact CB-CG 3.97Å; P34-F180 WeakPolarHBondContact O-CD2 3.46Å
35	L	94.7	Very high	96.9	Very high	119 Å²	119	51.2 Å²	51.2	62%	0.623	25%	0.247	S	C	*	.	H	α-helix	trans	-68.1	-22	176.7	-54.2	178.2	0	0	0	112.6	T32 A33 R174	T32-L35 WeakPolarHBondContact O-CA 3.32Å; T32-L35 VanDerWaalsContact O-CB 3.28Å; T32-L35 WeakPolarHBondContact O-CB 3.4Å; T32-L35 PolarHBondContact O-N 2.96Å; A33-L35 VanDerWaalsContact C-N 3.27Å; A33-L35 PolarHBondContact O-N 3.34Å; L35-R174 PolarHBondContact O-NH1 2.98Å
36	F	95.9	Very high	96.9	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.018	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-0.2	173.3	-62.9	-10.3	0	0	0	112.3	T32 A33 P34 V38 L166 K170 I173 R174 D175	T32-F36 HydrophobicContact CG2-CD1 4.07Å; T32-F36 HydrophobicContact CG2-CD2 4.02Å; T32-F36 HydrophobicContact CG2-CE1 3.49Å; T32-F36 VanDerWaalsContact CG2-CE1 3.49Å; T32-F36 HydrophobicContact CG2-CE2 3.48Å; T32-F36 VanDerWaalsContact CG2-CE2 3.48Å; T32-F36 HydrophobicContact CG2-CG 4.32Å; T32-F36 HydrophobicContact CG2-CZ 3.2Å; T32-F36 PolarHBondContact O-N 3.4Å; A33-F36 CarbonylContact O-C 3.58Å; A33-F36 WeakPolarHBondContact O-CA 3.36Å; A33-F36 WeakPolarHBondContact O-CB 2.99Å; A33-F36 PolarHBondContact O-N 2.95Å; P34-F36 PolarHBondContact O-N 3.07Å; F36-V38 HydrophobicContact CB-CG2 4.1Å; F36-V38 PolarHBondContact O-N 2.61Å; F36-L166 HydrophobicContact CZ-CB 4.47Å; F36-L166 WeakPolarHBondContact CZ-O 3.14Å; F36-K170 HydrophobicContact CD1-CD 4.46Å; F36-K170 HydrophobicContact CD1-CG 3.9Å; F36-K170 HydrophobicContact CE1-CB 3.87Å; F36-K170 HydrophobicContact CE1-CD 3.73Å; F36-K170 HydrophobicContact CE1-CG 3.48Å; F36-K170 VanDerWaalsContact CE1-CG 3.48Å; F36-K170 HydrophobicContact CE2-CB 4.41Å; F36-K170 HydrophobicContact CZ-CB 3.76Å; F36-K170 HydrophobicContact CZ-CD 4.29Å; F36-K170 HydrophobicContact CZ-CG 3.93Å; F36-I173 HydrophobicContact CD2-CD1 3.41Å; F36-I173 VanDerWaalsContact CD2-CD1 3.41Å; F36-I173 HydrophobicContact CD2-CG1 3.81Å; F36-I173 HydrophobicContact CE2-CD1 3.78Å; F36-I173 HydrophobicContact CE2-CG1 4.35Å; F36-I173 HydrophobicContact CG-CD1 4.44Å; F36-I173 HydrophobicContact CG-CG1 4.44Å; F36-R174 CarbonylContact O-C 3.51Å; F36-R174 WeakPolarHBondContact O-CA 3.01Å; F36-D175 PolarHBondContact O-N 2.97Å
37	G	96.5	Very high	96.9	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.01	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	21.4	-176.9	0	0	0	0	0	113.2	A33 P34 V178	A33-G37 PolarHBondContact O-N 2.78Å; P34-G37 PolarHBondContact O-N 2.88Å; G37-V178 WeakPolarHBondContact CA-O 3.18Å; G37-V178 WeakPolarHBondContact O-CB 3.32Å; G37-V178 WeakPolarHBondContact O-CG1 3.45Å
38	V	97	Very high	97	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151	177.5	-57.5	0	0	0	0	111.3	K5 L7 A33 F36 Y66 I173	K5-V38 HydrophobicContact CB-CG1 4.3Å; K5-V38 WeakPolarHBondContact O-CA 3.48Å; L7-V38 HydrophobicContact CB-CG2 4.37Å; L7-V38 HydrophobicContact CD2-CG2 3.99Å; A33-V38 CarbonylContact C-O 3.55Å; A33-V38 HydrophobicContact CB-CG2 3.93Å; A33-V38 WeakPolarHBondContact O-CG2 3.16Å; A33-V38 PolarHBondContact O-N 3.14Å; A33-V38 VanDerWaalsContact O-N 3.12Å; F36-V38 HydrophobicContact CB-CG2 4.1Å; F36-V38 PolarHBondContact O-N 2.61Å; V38-Y66 HydrophobicContact CG1-CD2 4.17Å; V38-Y66 HydrophobicContact CG1-CE2 4.09Å; V38-I173 VanDerWaalsContact CG1-O 3.32Å; V38-I173 WeakPolarHBondContact CG1-O 3.48Å
39	R	96.3	Very high	97.1	Very high	92 Å²	92	47.2 Å²	47.2	35%	0.347	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	110.4	-177.5	-173.2	173.6	-74.1	162.8	-3.8	110.5	P4 K5 S6 L7 R41 F180	P4-R39 HydrophobicContact CB-CB 4.16Å; P4-R39 HydrophobicContact CG-CB 4.03Å; K5-R39 PolarHBondContact O-N 2.92Å; S6-R39 WeakPolarHBondContact CA-O 3.22Å; L7-R39 PolarHBondContact N-O 2.85Å; R39-R41 WeakPolarHBondContact O-CG 3.48Å; R39-R41 PolarHBondContact O-N 3.22Å; R39-F180 HydrophobicContact CB-CZ 4.13Å
40	L	97.9	Very high	97.1	Very high	37 Å²	37	49.1 Å²	49.1	19%	0.194	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	125.7	168.8	-174.5	63.7	0	0	0	109.8	L7 L9 L29 C30 A33 I43	L7-L40 HydrophobicContact CB-CD1 4.45Å; L7-L40 HydrophobicContact CD2-CD1 4.2Å; L7-L40 HydrophobicContact CG-CD1 3.95Å; L7-L40 CarbonylContact O-C 3.52Å; L7-L40 WeakPolarHBondContact O-CA 3.33Å; L9-L40 HydrophobicContact CB-CD1 3.99Å; L29-L40 HydrophobicContact CD2-CD1 4.14Å; L29-L40 HydrophobicContact CG-CD2 4.47Å; C30-L40 VanDerWaalsContact SG-CD2 3.57Å; A33-L40 HydrophobicContact CB-CB 4.31Å; L40-I43 HydrophobicContact CD1-CG1 4.49Å; L40-I43 HydrophobicContact CD2-CD1 3.92Å; L40-I43 HydrophobicContact CD2-CG1 3.91Å; L40-I43 HydrophobicContact CG-CG1 4.37Å
41	R	97.8	Very high	97.2	Very high	159 Å²	159	50 Å²	50	60%	0.6	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	-33.2	-173.6	-63.1	-55.9	-66.7	160.9	-4.4	113.7	L7 R39 Y64	L7-R41 PolarHBondContact O-N 2.91Å; R39-R41 WeakPolarHBondContact O-CG 3.48Å; R39-R41 PolarHBondContact O-N 3.22Å; R41-Y64 HydrophobicContact CB-CD1 3.95Å; R41-Y64 HydrophobicContact CB-CE1 3.44Å; R41-Y64 VanDerWaalsContact CB-CE1 3.44Å; R41-Y64 HydrophobicContact CG-CD1 4.19Å; R41-Y64 HydrophobicContact CG-CE1 4.08Å
42	K	98.4	Very high	97.4	Very high	73 Å²	73	47 Å²	47	32%	0.317	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	140.2	179.4	-173.2	179.4	174.5	-152.1	0	109.7	L9 E56 F60 Y64	L9-K42 PolarHBondContact N-O 3.4Å; K42-E56 IonicContact NZ-OE1 2.78Å; K42-E56 PolarHBondContact NZ-OE1 2.63Å; K42-F60 HydrophobicContact CB-CE1 4.39Å; K42-F60 HydrophobicContact CB-CZ 4.04Å; K42-F60 HydrophobicContact CD-CE2 3.69Å; K42-F60 HydrophobicContact CD-CZ 3.47Å; K42-F60 VanDerWaalsContact CD-CZ 3.47Å; K42-F60 HydrophobicContact CG-CE1 4.49Å; K42-F60 HydrophobicContact CG-CE2 4.44Å; K42-F60 HydrophobicContact CG-CZ 3.72Å; K42-Y64 HydrophobicContact CB-CE2 4.23Å; K42-Y64 WeakPolarHBondContact CB-OH 3.42Å
43	I	98.7	Very high	97.6	Very high	64 Å²	64	46.6 Å²	46.6	33%	0.328	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.2	164.1	-55.2	178.9	0	0	0	106.1	L9 V11 S26 L40	L9-I43 HydrophobicContact CB-CG1 4.28Å; L9-I43 HydrophobicContact CB-CG2 4.46Å; L9-I43 HydrophobicContact CD2-CD1 4.47Å; L9-I43 HydrophobicContact CD2-CG1 4.33Å; L9-I43 HydrophobicContact CD2-CG2 4.04Å; L9-I43 HydrophobicContact CG-CG2 4.31Å; L9-I43 CarbonylContact O-C 3.56Å; L9-I43 WeakPolarHBondContact O-CA 3.23Å; V11-I43 HydrophobicContact CG2-CG2 4.25Å; S26-I43 WeakPolarHBondContact OG-CG2 3.36Å; L40-I43 HydrophobicContact CD1-CG1 4.49Å; L40-I43 HydrophobicContact CD2-CD1 3.92Å; L40-I43 HydrophobicContact CD2-CG1 3.91Å; L40-I43 HydrophobicContact CG-CG1 4.37Å
44	S	98.5	Very high	97.6	Very high	18 Å²	18	46.7 Å²	46.7	13%	0.126	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.1	172.3	-158.4	0	0	0	0	108.7	L9 I10 V11 E56	L9-S44 PolarHBondContact O-N 3.3Å; I10-S44 CarbonylContact C-O 3.6Å; I10-S44 WeakPolarHBondContact CA-O 3.26Å; V11-S44 PolarHBondContact N-O 3.11Å; S44-E56 WeakPolarHBondContact CB-OE1 3.49Å; S44-E56 PolarHBondContact OG-OE1 3.34Å
45	V	98.6	Very high	97.8	Very high	55 Å²	55	51 Å²	51	33%	0.333	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.2	177.4	-172	0	0	0	0	107.2	V11 I16 L17	V11-V45 HydrophobicContact CB-CB 4.48Å; V11-V45 HydrophobicContact CB-CG1 4.29Å; V11-V45 HydrophobicContact CB-CG2 4.16Å; V11-V45 HydrophobicContact CG1-CG1 4.36Å; V11-V45 WeakPolarHBondContact O-CA 3.27Å; I16-V45 HydrophobicContact CB-CG1 4.13Å; I16-V45 HydrophobicContact CG2-CG1 3.6Å; L17-V45 HydrophobicContact CD2-CB 4.31Å; L17-V45 HydrophobicContact CD2-CG1 3.73Å; L17-V45 HydrophobicContact CG-CG1 4.22Å
46	I	98.6	Very high	98	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.087	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.4	-171.6	61.9	171.4	0	0	0	111	I10 V11 I12 G13 I53 E56	I10-I46 HydrophobicContact CG2-CD1 3.48Å; I10-I46 VanDerWaalsContact CG2-CD1 3.48Å; I10-I46 HydrophobicContact CG2-CG1 3.8Å; V11-I46 PolarHBondContact O-N 3.24Å; I12-I46 HydrophobicContact CG1-CD1 4.11Å; I12-I46 HydrophobicContact CG1-CG1 3.92Å; G13-I46 PolarHBondContact N-O 3.34Å; I46-I53 HydrophobicContact CD1-CB 4.21Å; I46-I53 HydrophobicContact CD1-CG1 3.71Å; I46-E56 HydrophobicContact CD1-CB 4.2Å
47	P	98.2	Very high	98.1	Very high	45 Å²	45	46.2 Å²	46.2	29%	0.292	23%	0.232	S	C	.	.			trans	-71	168.1	179	29.8	-36.5	0	0	0	112.1	D14 L17 D49 A52	D14-P47 WeakPolarHBondContact OD1-CA 3.1Å; D14-P47 WeakPolarHBondContact OD1-CB 3.31Å; L17-P47 HydrophobicContact CD1-CB 3.88Å; L17-P47 HydrophobicContact CD1-CG 4.41Å; P47-D49 HydrophobicContact CG-CB 4.17Å; P47-D49 PolarHBondContact O-N 3.24Å; P47-A52 HydrophobicContact CG-CB 4.19Å
48	D	97.5	Very high	98.2	Very high	27 Å²	27	50.9 Å²	50.9	14%	0.144	25%	0.249	C	C	.	.	S	Bend	trans	-73.3	57.1	170.6	-72.1	-63.7	0	0	0	111.7	I12 G13 D14 D78 V80	I12-D48 WeakPolarHBondContact CG2-OD1 3.2Å; G13-D48 VanDerWaalsContact CA-OD2 3.23Å; G13-D48 WeakPolarHBondContact CA-OD2 3.26Å; D14-D48 PolarHBondContact N-OD2 2.93Å; D14-D48 PolarHBondContact OD1-N 3Å; D48-D78 WeakPolarHBondContact CB-O 3.43Å; D48-V80 WeakPolarHBondContact O-CG2 3.25Å
49	D	98.2	Very high	98.3	Very high	71 Å²	71	52.9 Å²	52.9	38%	0.38	26%	0.26	S	S	.	.			trans	-122.1	126.2	179.5	174.8	74.7	0	0	0	110.8	P47 D51 A52 I53	P47-D49 HydrophobicContact CG-CB 4.17Å; P47-D49 PolarHBondContact O-N 3.24Å; D49-D51 PolarHBondContact O-N 2.88Å; D49-D51 WeakPolarHBondContact OD2-CA 3.29Å; D49-D51 WeakPolarHBondContact OD2-CB 3.46Å; D49-D51 PolarHBondContact OD2-N 3.37Å; D49-A52 HydrophobicContact CB-CB 4.12Å; D49-A52 PolarHBondContact O-N 2.91Å; D49-A52 PolarHBondContact OD2-N 3.08Å; D49-I53 WeakPolarHBondContact O-CD1 3.39Å; D49-I53 WeakPolarHBondContact O-CG1 3.12Å; D49-I53 PolarHBondContact O-N 2.76Å
50	S	97.9	Very high	98.4	Very high	39 Å²	39	48.6 Å²	48.6	27%	0.273	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-26.1	-174.5	68.6	0	0	0	0	113.6	S54 G84	S50-S54 WeakPolarHBondContact O-CB 3.5Å; S50-S54 PolarHBondContact O-N 2.9Å; S50-G84 WeakPolarHBondContact O-CA 3.4Å
51	D	98.5	Very high	98.4	Very high	82 Å²	82	48.1 Å²	48.1	44%	0.439	24%	0.241	S	C	.	.	H	α-helix	trans	-80.4	-44.8	-178.6	-67.8	0.9	0	0	0	110.4	D49 I53 S54 E55 K87	D49-D51 PolarHBondContact O-N 2.88Å; D49-D51 WeakPolarHBondContact OD2-CA 3.29Å; D49-D51 WeakPolarHBondContact OD2-CB 3.46Å; D49-D51 PolarHBondContact OD2-N 3.37Å; D51-I53 VanDerWaalsContact C-N 3.34Å; D51-I53 PolarHBondContact O-N 3.49Å; D51-S54 WeakPolarHBondContact O-CB 3.4Å; D51-S54 PolarHBondContact O-N 2.92Å; D51-E55 PolarHBondContact O-N 3.34Å; D51-K87 VanDerWaalsContact CG-NZ 3.35Å; D51-K87 IonicContact OD1-NZ 2.55Å; D51-K87 PolarHBondContact OD1-NZ 3.04Å; D51-K87 IonicContact OD2-NZ 3.55Å
52	A	98.5	Very high	98.3	Very high	26 Å²	26	46.5 Å²	46.5	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-45.3	172.3	0	0	0	0	0	111.6	P47 D49 E55 E56	P47-A52 HydrophobicContact CG-CB 4.19Å; D49-A52 HydrophobicContact CB-CB 4.12Å; D49-A52 PolarHBondContact O-N 2.91Å; D49-A52 PolarHBondContact OD2-N 3.08Å; A52-E55 PolarHBondContact O-N 3.01Å; A52-E56 PolarHBondContact O-N 2.83Å
53	I	98.8	Very high	98.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-45.8	175.5	-63.7	164.1	0	0	0	110.1	I12 I46 D49 D51 E55 E56 V57 V80	I12-I53 HydrophobicContact CD1-CD1 4.17Å; I12-I53 HydrophobicContact CD1-CG1 4.01Å; I12-I53 HydrophobicContact CD1-CG2 4.15Å; I12-I53 HydrophobicContact CG1-CG1 4.29Å; I12-I53 HydrophobicContact CG2-CD1 3.63Å; I12-I53 HydrophobicContact CG2-CG1 4.01Å; I46-I53 HydrophobicContact CD1-CB 4.21Å; I46-I53 HydrophobicContact CD1-CG1 3.71Å; D49-I53 WeakPolarHBondContact O-CD1 3.39Å; D49-I53 WeakPolarHBondContact O-CG1 3.12Å; D49-I53 PolarHBondContact O-N 2.76Å; D51-I53 VanDerWaalsContact C-N 3.34Å; D51-I53 PolarHBondContact O-N 3.49Å; I53-E55 PolarHBondContact O-N 3.24Å; I53-E56 PolarHBondContact O-N 2.93Å; I53-V57 HydrophobicContact CG2-CG2 3.97Å; I53-V57 VanDerWaalsContact O-CB 3.22Å; I53-V57 WeakPolarHBondContact O-CB 3.18Å; I53-V57 WeakPolarHBondContact O-CG2 3.29Å; I53-V57 PolarHBondContact O-N 2.68Å; I53-V80 HydrophobicContact CD1-CG2 3.95Å
54	S	98.7	Very high	98.3	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-45.1	-179.8	-175.7	0	0	0	0	112.7	S50 D51 R58 G84 K87 A88	S50-S54 WeakPolarHBondContact O-CB 3.5Å; S50-S54 PolarHBondContact O-N 2.9Å; D51-S54 WeakPolarHBondContact O-CB 3.4Å; D51-S54 PolarHBondContact O-N 2.92Å; S54-R58 VanDerWaalsContact O-CB 3.3Å; S54-R58 WeakPolarHBondContact O-CB 3.49Å; S54-R58 PolarHBondContact O-N 2.67Å; S54-R58 VanDerWaalsContact O-N 3.09Å; S54-R58 PolarHBondContact OG-NH2 3.15Å; S54-G84 WeakPolarHBondContact CA-O 3.41Å; S54-G84 WeakPolarHBondContact CB-O 3.28Å; S54-K87 VanDerWaalsContact OG-C 3.27Å; S54-A88 WeakPolarHBondContact O-CB 3.44Å; S54-A88 VanDerWaalsContact OG-CA 3.27Å; S54-A88 WeakPolarHBondContact OG-CA 3.05Å; S54-A88 PolarHBondContact OG-N 3.25Å
55	E	98.5	Very high	98.3	Very high	138 Å²	138	52.4 Å²	52.4	65%	0.645	26%	0.264	S	S	*	.	H	α-helix	trans	-63.8	-50.7	178.8	-175.3	174.9	179.7	0	0	111.6	D51 A52 I53 R58 N59	D51-E55 PolarHBondContact O-N 3.34Å; A52-E55 PolarHBondContact O-N 3.01Å; I53-E55 PolarHBondContact O-N 3.24Å; E55-R58 PolarHBondContact O-N 2.88Å; E55-N59 WeakPolarHBondContact O-CB 3.11Å; E55-N59 PolarHBondContact O-N 3.42Å
56	E	98.7	Very high	98.3	Very high	24 Å²	24	51.2 Å²	51.2	11%	0.112	25%	0.253	C	S	.	.	H	α-helix	trans	-71.2	-36.7	-175.4	-165.7	68.2	163.2	0	0	111.8	I10 K42 S44 I46 A52 I53 N59 F60	I10-E56 HydrophobicContact CD1-CB 4.37Å; I10-E56 HydrophobicContact CD1-CG 4.03Å; I10-E56 HydrophobicContact CG1-CG 4.23Å; I10-E56 HydrophobicContact CG2-CG 4.41Å; K42-E56 IonicContact NZ-OE1 2.78Å; K42-E56 PolarHBondContact NZ-OE1 2.63Å; S44-E56 WeakPolarHBondContact CB-OE1 3.49Å; S44-E56 PolarHBondContact OG-OE1 3.34Å; I46-E56 HydrophobicContact CD1-CB 4.2Å; A52-E56 PolarHBondContact O-N 2.83Å; I53-E56 PolarHBondContact O-N 2.93Å; E56-N59 WeakPolarHBondContact O-CB 3.48Å; E56-N59 PolarHBondContact O-N 2.96Å; E56-N59 PolarHBondContact OE2-ND2 2.67Å; E56-F60 VanDerWaalsContact CD-CE2 3.43Å; E56-F60 HydrophobicContact CG-CD2 3.97Å; E56-F60 HydrophobicContact CG-CE2 3.85Å; E56-F60 HydrophobicContact CG-CZ 4.48Å; E56-F60 WeakPolarHBondContact O-CB 3.46Å; E56-F60 WeakPolarHBondContact O-CD2 3.41Å; E56-F60 PolarHBondContact O-N 3.48Å; E56-F60 WeakPolarHBondContact OE1-CE2 3.43Å
57	V	98.7	Very high	98.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-46.3	172.8	169.4	0	0	0	0	110.7	I10 I53 N59 F60 M61 V85 A88 I152	I10-V57 HydrophobicContact CD1-CB 4.46Å; I10-V57 HydrophobicContact CD1-CG2 3.8Å; I53-V57 HydrophobicContact CG2-CG2 3.97Å; I53-V57 VanDerWaalsContact O-CB 3.22Å; I53-V57 WeakPolarHBondContact O-CB 3.18Å; I53-V57 WeakPolarHBondContact O-CG2 3.29Å; I53-V57 PolarHBondContact O-N 2.68Å; V57-N59 VanDerWaalsContact C-N 3.26Å; V57-N59 PolarHBondContact O-N 3.46Å; V57-F60 PolarHBondContact O-N 3.2Å; V57-M61 WeakPolarHBondContact O-CB 3.49Å; V57-M61 VanDerWaalsContact O-CG 3.26Å; V57-M61 WeakPolarHBondContact O-CG 3.22Å; V57-M61 PolarHBondContact O-N 2.75Å; V57-V85 HydrophobicContact CG1-CG2 4.41Å; V57-V85 HydrophobicContact CG2-CG2 3.98Å; V57-A88 HydrophobicContact CB-CB 3.85Å; V57-A88 HydrophobicContact CG1-CB 3.61Å; V57-I152 HydrophobicContact CG1-CD1 3.53Å; V57-I152 HydrophobicContact CG1-CG1 4.42Å
58	R	98.2	Very high	98.3	Very high	98 Å²	98	48.3 Å²	48.3	37%	0.37	24%	0.235	S	C	.	.	H	α-helix	trans	-61.5	-37.2	177.6	-170.3	-178.4	-59.2	106.7	2	111.6	S54 E55 M61 N62 K87 A88	S54-R58 VanDerWaalsContact O-CB 3.3Å; S54-R58 WeakPolarHBondContact O-CB 3.49Å; S54-R58 PolarHBondContact O-N 2.67Å; S54-R58 VanDerWaalsContact O-N 3.09Å; S54-R58 PolarHBondContact OG-NH2 3.15Å; E55-R58 PolarHBondContact O-N 2.88Å; R58-M61 WeakPolarHBondContact O-CG 3.07Å; R58-N62 PolarHBondContact O-ND2 3.48Å; R58-K87 PolarHBondContact NH2-O 3.21Å; R58-A88 HydrophobicContact CB-CB 4.43Å
59	N	98.2	Very high	98.3	Very high	43 Å²	43	47 Å²	47	23%	0.23	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-45.7	175.7	-172.8	22.4	0	0	0	111.7	E55 E56 V57 R63	E55-N59 WeakPolarHBondContact O-CB 3.11Å; E55-N59 PolarHBondContact O-N 3.42Å; E56-N59 WeakPolarHBondContact O-CB 3.48Å; E56-N59 PolarHBondContact O-N 2.96Å; E56-N59 PolarHBondContact OE2-ND2 2.67Å; V57-N59 VanDerWaalsContact C-N 3.26Å; V57-N59 PolarHBondContact O-N 3.46Å; N59-R63 WeakPolarHBondContact O-CG 3.38Å; N59-R63 WeakPolarHBondContact OD1-CD 3.39Å; N59-R63 PolarHBondContact OD1-NE 2.88Å; N59-R63 PolarHBondContact OD1-NH2 3.02Å
60	F	98.7	Very high	98.3	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-73.2	-44.1	-174.9	-88.2	-133.1	0	0	0	112.8	L9 I10 K42 E56 V57 N62 R63 Y64 V67	L9-F60 WeakPolarHBondContact O-CE1 3.37Å; I10-F60 HydrophobicContact CD1-CB 4.06Å; I10-F60 HydrophobicContact CD1-CD1 3.95Å; I10-F60 HydrophobicContact CD1-CD2 4.46Å; I10-F60 HydrophobicContact CD1-CG 3.9Å; I10-F60 HydrophobicContact CG1-CD1 3.59Å; I10-F60 HydrophobicContact CG1-CE1 3.78Å; I10-F60 HydrophobicContact CG1-CG 4.02Å; I10-F60 HydrophobicContact CG1-CZ 4.36Å; K42-F60 HydrophobicContact CB-CE1 4.39Å; K42-F60 HydrophobicContact CB-CZ 4.04Å; K42-F60 HydrophobicContact CD-CE2 3.69Å; K42-F60 HydrophobicContact CD-CZ 3.47Å; K42-F60 VanDerWaalsContact CD-CZ 3.47Å; K42-F60 HydrophobicContact CG-CE1 4.49Å; K42-F60 HydrophobicContact CG-CE2 4.44Å; K42-F60 HydrophobicContact CG-CZ 3.72Å; E56-F60 VanDerWaalsContact CD-CE2 3.43Å; E56-F60 HydrophobicContact CG-CD2 3.97Å; E56-F60 HydrophobicContact CG-CE2 3.85Å; E56-F60 HydrophobicContact CG-CZ 4.48Å; E56-F60 WeakPolarHBondContact O-CB 3.46Å; E56-F60 WeakPolarHBondContact O-CD2 3.41Å; E56-F60 PolarHBondContact O-N 3.48Å; E56-F60 WeakPolarHBondContact OE1-CE2 3.43Å; V57-F60 PolarHBondContact O-N 3.2Å; F60-N62 PolarHBondContact O-N 2.8Å; F60-N62 VanDerWaalsContact O-N 3.11Å; F60-R63 PolarHBondContact O-N 3.37Å; F60-Y64 HydrophobicContact CB-CD2 4.04Å; F60-Y64 HydrophobicContact CB-CE2 4.36Å; F60-Y64 AromaticContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CD2 3.73Å; F60-Y64 AromaticContact CD1-CE2 3.66Å; F60-Y64 HydrophobicContact CD1-CE2 3.66Å; F60-Y64 HydrophobicContact CD2-CE2 4.02Å; F60-Y64 HydrophobicContact CE1-CD2 4.31Å; F60-Y64 AromaticContact CE1-CE2 3.84Å; F60-Y64 HydrophobicContact CE1-CE2 3.84Å; F60-Y64 HydrophobicContact CE2-CE2 4.15Å; F60-Y64 AromaticContact CG-CD2 3.87Å; F60-Y64 HydrophobicContact CG-CD2 3.87Å; F60-Y64 AromaticContact CG-CE2 3.76Å; F60-Y64 HydrophobicContact CG-CE2 3.76Å; F60-Y64 HydrophobicContact CZ-CE2 4.09Å; F60-Y64 PolarHBondContact O-N 2.99Å; F60-V67 HydrophobicContact CB-CG1 3.99Å; F60-V67 HydrophobicContact CB-CG2 3.78Å; F60-V67 HydrophobicContact CD1-CG1 4.25Å
61	M	97.6	Very high	98.3	Very high	28 Å²	28	42.1 Å²	42.1	14%	0.138	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-27.4	-176.2	70.2	176.9	-72.3	0	0	113	V57 R58 L89 K150 N151 I152	V57-M61 WeakPolarHBondContact O-CB 3.49Å; V57-M61 VanDerWaalsContact O-CG 3.26Å; V57-M61 WeakPolarHBondContact O-CG 3.22Å; V57-M61 PolarHBondContact O-N 2.75Å; R58-M61 WeakPolarHBondContact O-CG 3.07Å; M61-L89 HydrophobicContact CE-CD2 3.56Å; M61-L89 HydrophobicContact SD-CD2 3.69Å; M61-K150 HydrophobicContact CE-CD 3.89Å; M61-N151 PolarHBondContact O-ND2 2.67Å; M61-I152 HydrophobicContact CB-CD1 4.19Å; M61-I152 HydrophobicContact CB-CG1 4.29Å
62	N	96.6	Very high	98.2	Very high	124 Å²	124	38.6 Å²	38.6	66%	0.663	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-14.4	179.8	-68.6	-48	0	0	0	113.3	R58 F60	R58-N62 PolarHBondContact O-ND2 3.48Å; F60-N62 PolarHBondContact O-N 2.8Å; F60-N62 VanDerWaalsContact O-N 3.11Å
63	R	98.1	Very high	98.1	Very high	166 Å²	166	38 Å²	38	63%	0.626	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-24.3	-176	-72.8	-176.5	-175.5	-161.1	6.9	113.8	N59 F60	N59-R63 WeakPolarHBondContact O-CG 3.38Å; N59-R63 WeakPolarHBondContact OD1-CD 3.39Å; N59-R63 PolarHBondContact OD1-NE 2.88Å; N59-R63 PolarHBondContact OD1-NH2 3.02Å; F60-R63 PolarHBondContact O-N 3.37Å
64	Y	98.5	Very high	97.8	Very high	34 Å²	34	39.4 Å²	39.4	13%	0.133	19%	0.19	C	C	.	.			trans	-123.7	146.5	-175.2	-53.1	-58.5	0	0	0	111.6	S6 R41 K42 F60 Y66 N151	S6-Y64 WeakPolarHBondContact OG-CA 3.39Å; R41-Y64 HydrophobicContact CB-CD1 3.95Å; R41-Y64 HydrophobicContact CB-CE1 3.44Å; R41-Y64 VanDerWaalsContact CB-CE1 3.44Å; R41-Y64 HydrophobicContact CG-CD1 4.19Å; R41-Y64 HydrophobicContact CG-CE1 4.08Å; K42-Y64 HydrophobicContact CB-CE2 4.23Å; K42-Y64 WeakPolarHBondContact CB-OH 3.42Å; F60-Y64 HydrophobicContact CB-CD2 4.04Å; F60-Y64 HydrophobicContact CB-CE2 4.36Å; F60-Y64 AromaticContact CD1-CD2 3.73Å; F60-Y64 HydrophobicContact CD1-CD2 3.73Å; F60-Y64 AromaticContact CD1-CE2 3.66Å; F60-Y64 HydrophobicContact CD1-CE2 3.66Å; F60-Y64 HydrophobicContact CD2-CE2 4.02Å; F60-Y64 HydrophobicContact CE1-CD2 4.31Å; F60-Y64 AromaticContact CE1-CE2 3.84Å; F60-Y64 HydrophobicContact CE1-CE2 3.84Å; F60-Y64 HydrophobicContact CE2-CE2 4.15Å; F60-Y64 AromaticContact CG-CD2 3.87Å; F60-Y64 HydrophobicContact CG-CD2 3.87Å; F60-Y64 AromaticContact CG-CE2 3.76Å; F60-Y64 HydrophobicContact CG-CE2 3.76Å; F60-Y64 HydrophobicContact CZ-CE2 4.09Å; F60-Y64 PolarHBondContact O-N 2.99Å; Y64-Y66 WeakPolarHBondContact CB-O 3.4Å; Y64-Y66 PolarHBondContact O-N 3.13Å; Y64-N151 PolarHBondContact O-ND2 3.41Å
65	D	98.2	Very high	97.3	Very high	80 Å²	80	41.4 Å²	41.4	43%	0.428	20%	0.204	S	C	.	.	S	Bend	trans	-64.5	-34.2	177.8	-59.8	-78.3	0	0	0	111.4	K5 S6 N151	K5-D65 HydrophobicContact CB-CB 3.94Å; K5-D65 HydrophobicContact CD-CB 4.4Å; K5-D65 HydrophobicContact CG-CB 4.25Å; S6-D65 WeakPolarHBondContact CB-OD2 3.35Å; S6-D65 PolarHBondContact N-OD2 3.39Å; S6-D65 WeakPolarHBondContact O-CB 3.48Å; S6-D65 PolarHBondContact O-N 3.04Å; S6-D65 VanDerWaalsContact O-N 3.13Å; S6-D65 PolarHBondContact OG-N 3.37Å; S6-D65 PolarHBondContact OG-OD2 2.95Å; D65-N151 VanDerWaalsContact O-CB 3.22Å; D65-N151 WeakPolarHBondContact O-CB 3.46Å; D65-N151 PolarHBondContact O-ND2 2.93Å
66	Y	98.5	Very high	96.9	Very high	30 Å²	30	38.5 Å²	38.5	12%	0.118	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.6	174.9	-58.6	-60.4	0	0	0	111.3	K5 S6 L7 G8 V38 Y64 F153 I173	K5-Y66 HydrophobicContact CB-CD2 4.31Å; K5-Y66 HydrophobicContact CB-CE2 3.97Å; K5-Y66 HydrophobicContact CD-CD2 4.46Å; K5-Y66 HydrophobicContact CD-CE2 3.46Å; K5-Y66 VanDerWaalsContact CD-CE2 3.46Å; K5-Y66 HydrophobicContact CG-CE2 4.39Å; K5-Y66 PolarHBondContact NZ-OH 3.47Å; S6-Y66 PolarHBondContact O-N 3.02Å; L7-Y66 WeakPolarHBondContact CA-O 3.41Å; G8-Y66 PolarHBondContact N-O 2.88Å; V38-Y66 HydrophobicContact CG1-CD2 4.17Å; V38-Y66 HydrophobicContact CG1-CE2 4.09Å; Y64-Y66 WeakPolarHBondContact CB-O 3.4Å; Y64-Y66 PolarHBondContact O-N 3.13Å; Y66-F153 AromaticContact CD1-CE2 3.8Å; Y66-F153 HydrophobicContact CD1-CE2 3.8Å; Y66-F153 HydrophobicContact CE1-CE2 4.38Å; Y66-I173 HydrophobicContact CD1-CG2 3.87Å; Y66-I173 HydrophobicContact CD2-CB 4.17Å; Y66-I173 HydrophobicContact CD2-CG2 4.23Å; Y66-I173 HydrophobicContact CE1-CB 4.47Å; Y66-I173 HydrophobicContact CE1-CG2 3.95Å; Y66-I173 HydrophobicContact CE2-CB 4.04Å; Y66-I173 HydrophobicContact CE2-CG2 4.32Å; Y66-I173 HydrophobicContact CG-CB 4.44Å; Y66-I173 HydrophobicContact CG-CG2 4Å
67	V	98.7	Very high	96.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.5	172.3	-176.6	0	0	0	0	108.3	G8 I10 F60 N151 I152 F153	G8-V67 CarbonylContact O-C 3.2Å; G8-V67 WeakPolarHBondContact O-CA 3.35Å; I10-V67 HydrophobicContact CD1-CG1 4Å; I10-V67 HydrophobicContact CG1-CG1 4.33Å; F60-V67 HydrophobicContact CB-CG1 3.99Å; F60-V67 HydrophobicContact CB-CG2 3.78Å; F60-V67 HydrophobicContact CD1-CG1 4.25Å; V67-N151 PolarHBondContact N-O 3.05Å; V67-I152 HydrophobicContact CB-CB 4.42Å; V67-I152 HydrophobicContact CB-CG1 4.08Å; V67-I152 HydrophobicContact CB-CG2 4.35Å; V67-I152 HydrophobicContact CG1-CG2 4.32Å; V67-I152 HydrophobicContact CG2-CG1 4.47Å; V67-I152 CarbonylContact O-C 3.52Å; V67-I152 WeakPolarHBondContact O-CA 3.44Å; V67-F153 PolarHBondContact O-N 3.2Å
68	I	98.7	Very high	96	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.5	170.9	-71.2	171	0	0	0	107.7	L7 G8 L9 I10 L29 F153 L155 F162 L166 I169 I173	L7-I68 HydrophobicContact CD1-CB 4.37Å; L7-I68 HydrophobicContact CD1-CD1 3.79Å; L7-I68 HydrophobicContact CD1-CG1 3.83Å; L7-I68 HydrophobicContact CD2-CD1 4.14Å; G8-I68 PolarHBondContact O-N 3.35Å; L9-I68 CarbonylContact C-O 3.54Å; L9-I68 WeakPolarHBondContact CA-O 3.32Å; L9-I68 HydrophobicContact CD1-CB 4.25Å; L9-I68 HydrophobicContact CD1-CG2 3.84Å; L9-I68 WeakPolarHBondContact CD1-O 3.44Å; I10-I68 PolarHBondContact N-O 3.04Å; L29-I68 HydrophobicContact CD1-CD1 3.83Å; L29-I68 HydrophobicContact CD2-CB 4.43Å; L29-I68 HydrophobicContact CD2-CD1 4.14Å; L29-I68 HydrophobicContact CD2-CG2 4.49Å; I68-F153 CarbonylContact C-O 3.57Å; I68-F153 WeakPolarHBondContact CA-O 3.33Å; I68-F153 HydrophobicContact CG1-CB 4.18Å; I68-L155 HydrophobicContact CG2-CD1 4.2Å; I68-L155 HydrophobicContact CG2-CD2 4.14Å; I68-L155 HydrophobicContact CG2-CG 4.49Å; I68-F162 HydrophobicContact CG2-CE2 4.08Å; I68-F162 HydrophobicContact CG2-CZ 4.28Å; I68-L166 HydrophobicContact CD1-CD2 4.33Å; I68-I169 HydrophobicContact CD1-CD1 3.58Å; I68-I169 HydrophobicContact CG1-CD1 4.08Å; I68-I173 HydrophobicContact CD1-CD1 4.42Å
69	T	98.7	Very high	95.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	153.5	165.4	75	0	0	0	0	110.2	I10 I12 T81 I152 F153 I154 L155	I10-T69 HydrophobicContact CB-CG2 4.45Å; I10-T69 CarbonylContact O-C 3.59Å; I10-T69 WeakPolarHBondContact O-CA 3.33Å; I12-T69 HydrophobicContact CD1-CG2 4.36Å; T69-T81 HydrophobicContact CG2-CG2 4.5Å; T69-I152 HydrophobicContact CG2-CG2 4.2Å; T69-F153 PolarHBondContact N-O 2.86Å; T69-I154 WeakPolarHBondContact OG1-CA 3.2Å; T69-L155 WeakPolarHBondContact O-CA 3.3Å; T69-L155 VanDerWaalsContact O-CB 3.25Å; T69-L155 WeakPolarHBondContact O-CB 3.47Å; T69-L155 PolarHBondContact O-N 2.89Å
70	S	98.4	Very high	95.8	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.028	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	106.1	176.8	166.3	0	0	0	0	109.4	I10 I12 N25	I10-S70 PolarHBondContact O-N 3.2Å; I12-S70 PolarHBondContact N-O 2.68Å; N25-S70 PolarHBondContact ND2-OG 2.77Å
71	G	97.6	Very high	95.8	Very high	4 Å²	4	44.2 Å²	44.2	4%	0.041	23%	0.23	C	C	.	.	S	Bend	trans	109.2	174.7	176.3	0	0	0	0	0	114.8	I12 I73 T81 L155	I12-G71 WeakPolarHBondContact O-CA 3.43Å; G71-I73 PolarHBondContact O-N 2.91Å; G71-T81 PolarHBondContact O-OG1 3.05Å; G71-L155 PolarHBondContact N-O 2.86Å
72	G	96.4	Very high	95.9	Very high	7 Å²	7	43.3 Å²	43.3	7%	0.072	23%	0.225	C	C	.	.			trans	65.2	29	178.4	0	0	0	0	0	116.2	D79 V80 T81	G72-D79 VanDerWaalsContact CA-OD1 3.25Å; G72-D79 WeakPolarHBondContact CA-OD1 3.34Å; G72-D79 CarbonylContact O-C 3.57Å; G72-D79 WeakPolarHBondContact O-CA 3.25Å; G72-D79 WeakPolarHBondContact O-CB 3.49Å; G72-V80 PolarHBondContact O-N 2.87Å; G72-T81 VanDerWaalsContact CA-OG1 3.29Å; G72-T81 WeakPolarHBondContact CA-OG1 3.48Å; G72-T81 WeakPolarHBondContact O-CB 2.98Å; G72-T81 PolarHBondContact O-N 3.08Å; G72-T81 PolarHBondContact O-OG1 3.17Å; G72-T81 VanDerWaalsContact O-OG1 3.08Å
73	I	95.8	Very high	95.9	Very high	15 Å²	15	40.1 Å²	40.1	8%	0.077	21%	0.206	C	C	.	.			trans	-121	7.6	-176.4	67.1	159.9	0	0	0	114.7	G71 D79 T81 Y82 L121 I154 P156	G71-I73 PolarHBondContact O-N 2.91Å; I73-D79 PolarHBondContact N-OD1 2.78Å; I73-T81 HydrophobicContact CG2-CG2 3.95Å; I73-Y82 HydrophobicContact CB-CE2 3.98Å; I73-Y82 HydrophobicContact CG2-CE2 4.18Å; I73-L121 WeakPolarHBondContact O-CD2 3.18Å; I73-I154 HydrophobicContact CG2-CG2 3.44Å; I73-I154 VanDerWaalsContact CG2-CG2 3.44Å; I73-P156 HydrophobicContact CD1-CB 3.86Å; I73-P156 HydrophobicContact CG1-CB 4.32Å
74	G	91.6	Very high	96	Very high	28 Å²	28	32.2 Å²	32.2	29%	0.289	18%	0.177	S	C	.	.	S	Bend	trans	-69.9	-172.3	174.6	0	0	0	0	0	113.8	D79	G74-D79 VanDerWaalsContact C-CG 3.49Å; G74-D79 WeakPolarHBondContact CA-OD1 3.43Å; G74-D79 WeakPolarHBondContact CA-OD2 3.23Å; G74-D79 PolarHBondContact N-OD1 2.84Å; G74-D79 PolarHBondContact N-OD2 3.06Å; G74-D79 VanDerWaalsContact O-CB 3.31Å; G74-D79 WeakPolarHBondContact O-CB 3.43Å
75	S	88.7	Confident	96	Very high	45 Å²	45	30.6 Å²	30.6	32%	0.315	17%	0.17	S	C	.	.	S	Bend	trans	-92.2	-8.1	-177.8	55.5	0	0	0	0	113.4
76	T	89.9	Confident	96	Very high	77 Å²	77	26.9 Å²	26.9	47%	0.472	15%	0.151	S	C	.	.	S	Bend	trans	-78.9	167.5	-178.5	37.3	0	0	0	0	111.2	D78 D79 K120	T76-D78 VanDerWaalsContact C-N 3.32Å; T76-D78 WeakPolarHBondContact CB-OD1 3.31Å; T76-D78 PolarHBondContact O-N 2.87Å; T76-D78 PolarHBondContact OG1-OD1 2.78Å; T76-D79 PolarHBondContact N-OD2 3.07Å; T76-D79 PolarHBondContact O-N 2.89Å; T76-D79 PolarHBondContact OG1-OD2 2.9Å; T76-K120 PolarHBondContact O-NZ 3.4Å
77	H	87.6	Confident	96	Very high	167 Å²	167	30.1 Å²	30.1	77%	0.773	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-28.6	-166.3	58.1	-78.9	0	0	0	113.2
78	D	91.2	Very high	96	Very high	70 Å²	70	30.3 Å²	30.3	37%	0.374	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.8	174.5	49.9	-21.7	0	0	0	113.6	D48 T76 V80	D48-D78 WeakPolarHBondContact CB-O 3.43Å; T76-D78 VanDerWaalsContact C-N 3.32Å; T76-D78 WeakPolarHBondContact CB-OD1 3.31Å; T76-D78 PolarHBondContact O-N 2.87Å; T76-D78 PolarHBondContact OG1-OD1 2.78Å; D78-V80 PolarHBondContact O-N 2.88Å
79	D	96	Very high	95.9	Very high	23 Å²	23	31.2 Å²	31.2	12%	0.123	17%	0.172	C	C	.	.			trans	-72.6	91.4	176.5	-69.9	-73.8	0	0	0	112.4	G72 I73 G74 T76 K120	G72-D79 VanDerWaalsContact CA-OD1 3.25Å; G72-D79 WeakPolarHBondContact CA-OD1 3.34Å; G72-D79 CarbonylContact O-C 3.57Å; G72-D79 WeakPolarHBondContact O-CA 3.25Å; G72-D79 WeakPolarHBondContact O-CB 3.49Å; I73-D79 PolarHBondContact N-OD1 2.78Å; G74-D79 VanDerWaalsContact C-CG 3.49Å; G74-D79 WeakPolarHBondContact CA-OD1 3.43Å; G74-D79 WeakPolarHBondContact CA-OD2 3.23Å; G74-D79 PolarHBondContact N-OD1 2.84Å; G74-D79 PolarHBondContact N-OD2 3.06Å; G74-D79 VanDerWaalsContact O-CB 3.31Å; G74-D79 WeakPolarHBondContact O-CB 3.43Å; T76-D79 PolarHBondContact N-OD2 3.07Å; T76-D79 PolarHBondContact O-N 2.89Å; T76-D79 PolarHBondContact OG1-OD2 2.9Å; D79-K120 WeakPolarHBondContact O-CE 3.37Å; D79-K120 PolarHBondContact O-NZ 2.89Å
80	V	97.4	Very high	95.9	Very high	27 Å²	27	38.1 Å²	38.1	16%	0.164	21%	0.209	C	C	.	.			trans	-117.4	16.3	-172.4	-63.3	0	0	0	0	114.6	D48 I53 G72 D78 Y82 E83 G84	D48-V80 WeakPolarHBondContact O-CG2 3.25Å; I53-V80 HydrophobicContact CD1-CG2 3.95Å; G72-V80 PolarHBondContact O-N 2.87Å; D78-V80 PolarHBondContact O-N 2.88Å; V80-Y82 PolarHBondContact O-N 3.34Å; V80-E83 WeakPolarHBondContact CA-OE2 3.46Å; V80-E83 PolarHBondContact O-N 3.31Å; V80-G84 PolarHBondContact O-N 3.35Å
81	T	98.4	Very high	95.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-42.4	-177.6	-65.6	0	0	0	0	112.7	I12 T69 G71 G72 I73 G84 V85 I154	I12-T81 HydrophobicContact CD1-CG2 3.64Å; I12-T81 VanDerWaalsContact CD1-OG1 3.26Å; I12-T81 WeakPolarHBondContact CD1-OG1 3.46Å; T69-T81 HydrophobicContact CG2-CG2 4.5Å; G71-T81 PolarHBondContact O-OG1 3.05Å; G72-T81 VanDerWaalsContact CA-OG1 3.29Å; G72-T81 WeakPolarHBondContact CA-OG1 3.48Å; G72-T81 WeakPolarHBondContact O-CB 2.98Å; G72-T81 PolarHBondContact O-N 3.08Å; G72-T81 PolarHBondContact O-OG1 3.17Å; G72-T81 VanDerWaalsContact O-OG1 3.08Å; I73-T81 HydrophobicContact CG2-CG2 3.95Å; T81-G84 PolarHBondContact O-N 2.97Å; T81-V85 HydrophobicContact CG2-CG2 4.35Å; T81-V85 VanDerWaalsContact O-CG2 3.27Å; T81-V85 WeakPolarHBondContact O-CG2 3.08Å; T81-V85 PolarHBondContact O-N 3.3Å; T81-I154 HydrophobicContact CG2-CG2 3.89Å
82	Y	98.4	Very high	95.7	Very high	8 Å²	8	47.4 Å²	47.4	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-44.1	178.8	-70.5	-51.9	0	0	0	111.5	I73 V80 V85 A86 I93 I124 V147 I154	I73-Y82 HydrophobicContact CB-CE2 3.98Å; I73-Y82 HydrophobicContact CG2-CE2 4.18Å; V80-Y82 PolarHBondContact O-N 3.34Å; Y82-V85 PolarHBondContact O-N 3.45Å; Y82-A86 WeakPolarHBondContact O-CB 3.21Å; Y82-A86 PolarHBondContact O-N 3.04Å; Y82-I93 WeakPolarHBondContact O-CD1 3.3Å; Y82-I124 HydrophobicContact CD1-CB 4.3Å; Y82-I124 HydrophobicContact CD1-CG2 3.94Å; Y82-I124 HydrophobicContact CD2-CG2 4.05Å; Y82-I124 HydrophobicContact CE1-CG2 3.87Å; Y82-I124 HydrophobicContact CE2-CG2 3.97Å; Y82-I124 HydrophobicContact CG-CG2 4.05Å; Y82-V147 HydrophobicContact CD1-CG1 4.43Å; Y82-V147 HydrophobicContact CE1-CB 3.7Å; Y82-V147 HydrophobicContact CE1-CG1 3.79Å; Y82-V147 HydrophobicContact CE1-CG2 3.76Å; Y82-V147 VanDerWaalsContact OH-CG2 3.31Å; Y82-V147 WeakPolarHBondContact OH-CG2 3.44Å; Y82-I154 HydrophobicContact CD1-CD1 3.71Å; Y82-I154 HydrophobicContact CD1-CG2 4.11Å; Y82-I154 HydrophobicContact CE1-CB 4.08Å; Y82-I154 HydrophobicContact CE1-CD1 3.75Å; Y82-I154 HydrophobicContact CE1-CG2 3.52Å
83	E	98.1	Very high	95.8	Very high	58 Å²	58	49.8 Å²	49.8	27%	0.271	26%	0.259	S	S	.	.	H	α-helix	trans	-59.8	-46.5	176.2	-68.4	83.5	168.1	0	0	111.3	V80 A86 K87 I93	V80-E83 WeakPolarHBondContact CA-OE2 3.46Å; V80-E83 PolarHBondContact O-N 3.31Å; E83-A86 PolarHBondContact O-N 3.32Å; E83-K87 WeakPolarHBondContact O-CB 3.32Å; E83-K87 PolarHBondContact O-N 3.09Å; E83-I93 HydrophobicContact CG-CG1 4.44Å
84	G	98.5	Very high	95.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-43.1	176.2	0	0	0	0	0	112.9	S50 S54 V80 T81 K87 A88	S50-G84 WeakPolarHBondContact O-CA 3.4Å; S54-G84 WeakPolarHBondContact CA-O 3.41Å; S54-G84 WeakPolarHBondContact CB-O 3.28Å; V80-G84 PolarHBondContact O-N 3.35Å; T81-G84 PolarHBondContact O-N 2.97Å; G84-K87 PolarHBondContact O-N 3.33Å; G84-A88 PolarHBondContact O-N 3.35Å
85	V	98.6	Very high	96	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-45	176	173.4	0	0	0	0	111.4	V57 T81 Y82 K87 A88 L89 P125 I152 I154	V57-V85 HydrophobicContact CG1-CG2 4.41Å; V57-V85 HydrophobicContact CG2-CG2 3.98Å; T81-V85 HydrophobicContact CG2-CG2 4.35Å; T81-V85 VanDerWaalsContact O-CG2 3.27Å; T81-V85 WeakPolarHBondContact O-CG2 3.08Å; T81-V85 PolarHBondContact O-N 3.3Å; Y82-V85 PolarHBondContact O-N 3.45Å; V85-K87 VanDerWaalsContact C-N 3.29Å; V85-K87 PolarHBondContact O-N 2.96Å; V85-A88 WeakPolarHBondContact O-CB 3.47Å; V85-A88 PolarHBondContact O-N 2.75Å; V85-A88 VanDerWaalsContact O-N 3.12Å; V85-L89 HydrophobicContact CG1-CD1 4Å; V85-L89 WeakPolarHBondContact O-CG 3.31Å; V85-L89 PolarHBondContact O-N 3.32Å; V85-L89 VanDerWaalsContact O-N 3.15Å; V85-P125 HydrophobicContact CB-CG 4.4Å; V85-P125 HydrophobicContact CG1-CG 4.11Å; V85-I152 HydrophobicContact CG1-CD1 4.31Å; V85-I154 HydrophobicContact CB-CD1 4.24Å; V85-I154 HydrophobicContact CG1-CD1 4.11Å; V85-I154 HydrophobicContact CG2-CD1 3.98Å; V85-I154 HydrophobicContact CG2-CG1 4.45Å
86	A	98.4	Very high	96.3	Very high	2 Å²	2	53.7 Å²	53.7	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-42.6	175.7	0	0	0	0	0	111.4	Y82 E83 A88 L89 N90 E91 I93 P125	Y82-A86 WeakPolarHBondContact O-CB 3.21Å; Y82-A86 PolarHBondContact O-N 3.04Å; E83-A86 PolarHBondContact O-N 3.32Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A86-A88 PolarHBondContact O-N 3.21Å; A86-L89 CarbonylContact O-C 3.53Å; A86-L89 PolarHBondContact O-N 2.81Å; A86-N90 PolarHBondContact O-N 3.49Å; A86-E91 PolarHBondContact O-N 3.29Å; A86-I93 HydrophobicContact CB-CD1 3.43Å; A86-I93 VanDerWaalsContact CB-CD1 3.43Å; A86-I93 HydrophobicContact CB-CG1 3.78Å; A86-P125 HydrophobicContact CB-CB 4.11Å; A86-P125 HydrophobicContact CB-CG 3.97Å
87	K	98.4	Very high	96.5	Very high	97 Å²	97	54.5 Å²	54.5	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-62.8	-38.3	175	-169.7	177.2	-175.1	173.1	0	112.2	D51 S54 R58 E83 G84 V85 L89 N90	D51-K87 VanDerWaalsContact CG-NZ 3.35Å; D51-K87 IonicContact OD1-NZ 2.55Å; D51-K87 PolarHBondContact OD1-NZ 3.04Å; D51-K87 IonicContact OD2-NZ 3.55Å; S54-K87 VanDerWaalsContact OG-C 3.27Å; R58-K87 PolarHBondContact NH2-O 3.21Å; E83-K87 WeakPolarHBondContact O-CB 3.32Å; E83-K87 PolarHBondContact O-N 3.09Å; G84-K87 PolarHBondContact O-N 3.33Å; V85-K87 VanDerWaalsContact C-N 3.29Å; V85-K87 PolarHBondContact O-N 2.96Å; K87-L89 PolarHBondContact O-N 3.17Å; K87-N90 PolarHBondContact O-N 2.99Å
88	A	98.2	Very high	96.8	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-37.8	174.9	0	0	0	0	0	112.4	S54 V57 R58 G84 V85 A86	S54-A88 WeakPolarHBondContact O-CB 3.44Å; S54-A88 VanDerWaalsContact OG-CA 3.27Å; S54-A88 WeakPolarHBondContact OG-CA 3.05Å; S54-A88 PolarHBondContact OG-N 3.25Å; V57-A88 HydrophobicContact CB-CB 3.85Å; V57-A88 HydrophobicContact CG1-CB 3.61Å; R58-A88 HydrophobicContact CB-CB 4.43Å; G84-A88 PolarHBondContact O-N 3.35Å; V85-A88 WeakPolarHBondContact O-CB 3.47Å; V85-A88 PolarHBondContact O-N 2.75Å; V85-A88 VanDerWaalsContact O-N 3.12Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A86-A88 PolarHBondContact O-N 3.21Å
89	L	97.7	Very high	96.9	Very high	18 Å²	18	47 Å²	47	9%	0.094	24%	0.236	C	C	.	.	H	α-helix	trans	-91.1	-5.5	-175.5	-60.5	174.5	0	0	0	114.2	M61 V85 A86 K87 E91 V149 K150 I152	M61-L89 HydrophobicContact CE-CD2 3.56Å; M61-L89 HydrophobicContact SD-CD2 3.69Å; V85-L89 HydrophobicContact CG1-CD1 4Å; V85-L89 WeakPolarHBondContact O-CG 3.31Å; V85-L89 PolarHBondContact O-N 3.32Å; V85-L89 VanDerWaalsContact O-N 3.15Å; A86-L89 CarbonylContact O-C 3.53Å; A86-L89 PolarHBondContact O-N 2.81Å; K87-L89 PolarHBondContact O-N 3.17Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 HydrophobicContact CB-CB 4.37Å; L89-E91 HydrophobicContact CB-CG 3.92Å; L89-V149 HydrophobicContact CD1-CB 4.11Å; L89-V149 HydrophobicContact CD1-CG1 3.35Å; L89-K150 HydrophobicContact CD2-CD 3.8Å; L89-I152 HydrophobicContact CD2-CD1 4.48Å
90	N	97.6	Very high	96.6	Very high	146 Å²	146	47 Å²	47	78%	0.781	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	40.5	-169.6	-60.9	-43.1	0	0	0	112.9	A86 K87	A86-N90 PolarHBondContact O-N 3.49Å; K87-N90 PolarHBondContact O-N 2.99Å
91	E	96.4	Very high	96.3	Very high	48 Å²	48	50.9 Å²	50.9	22%	0.224	25%	0.252	C	S	.	.			trans	-111.2	160.7	-179.1	-69.7	178.4	-156.4	0	0	111.5	A86 L89 S127	A86-E91 PolarHBondContact O-N 3.29Å; L89-E91 VanDerWaalsContact C-N 3.29Å; L89-E91 HydrophobicContact CB-CB 4.37Å; L89-E91 HydrophobicContact CB-CG 3.92Å; E91-S127 PolarHBondContact OE1-OG 2.97Å; E91-S127 VanDerWaalsContact OE2-CB 3.23Å; E91-S127 WeakPolarHBondContact OE2-CB 3.35Å; E91-S127 PolarHBondContact OE2-N 3.23Å; E91-S127 VanDerWaalsContact OE2-N 3.11Å; E91-S127 PolarHBondContact OE2-OG 3.33Å
92	K	97.3	Very high	95.8	Very high	154 Å²	154	50.9 Å²	50.9	67%	0.67	25%	0.252	S	S	*	.			trans	-81.7	151.2	172.1	-66.2	175.8	-175.8	170.8	0	110	E126	K92-E126 PolarHBondContact O-N 3.02Å
93	I	97.1	Very high	95.3	Very high	58 Å²	58	50.5 Å²	50.5	30%	0.297	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.4	162.4	-66.9	-69.6	0	0	0	108.3	Y82 E83 A86 K123 P125	Y82-I93 WeakPolarHBondContact O-CD1 3.3Å; E83-I93 HydrophobicContact CG-CG1 4.44Å; A86-I93 HydrophobicContact CB-CD1 3.43Å; A86-I93 VanDerWaalsContact CB-CD1 3.43Å; A86-I93 HydrophobicContact CB-CG1 3.78Å; I93-K123 HydrophobicContact CG2-CB 3.62Å; I93-K123 HydrophobicContact CG2-CG 4.34Å; I93-P125 HydrophobicContact CD1-CG 4.32Å
94	I	96.6	Very high	94.8	Very high	53 Å²	53	53.2 Å²	53.2	27%	0.272	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.5	175.2	66.8	168.5	0	0	0	109.8	H96 K123 I124 E126	I94-H96 PolarHBondContact O-N 3.01Å; I94-K123 CarbonylContact O-C 3.51Å; I94-K123 VanDerWaalsContact O-CA 3.28Å; I94-K123 WeakPolarHBondContact O-CA 3.37Å; I94-I124 PolarHBondContact N-O 2.86Å; I94-I124 PolarHBondContact O-N 3.2Å; I94-E126 HydrophobicContact CD1-CB 4.5Å; I94-E126 HydrophobicContact CD1-CG 4.31Å; I94-E126 HydrophobicContact CG2-CB 4.14Å; I94-E126 HydrophobicContact CG2-CG 4.21Å
95	I	95.6	Very high	94.1	Very high	87 Å²	87	58.1 Å²	58.1	45%	0.446	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	103.5	164.6	-59.1	172.9	0	0	0	107.1	P97 L100 A122 K123	I95-P97 WeakPolarHBondContact O-CD 3.47Å; I95-L100 HydrophobicContact CG2-CB 4.39Å; I95-L100 HydrophobicContact CG2-CD2 3.93Å; I95-A122 WeakPolarHBondContact CA-O 3.05Å; I95-A122 HydrophobicContact CG2-CB 4.32Å; I95-K123 HydrophobicContact CG1-CG 3.84Å
96	H	95.7	Very high	93.4	Very high	30 Å²	30	61.6 Å²	61.6	14%	0.139	30%	0.295	C	S	.	.			trans	-71.5	117.1	-174.8	-171.6	-87.4	0	0	0	110.9	I94 K98 F99 L100 A122 I124	I94-H96 PolarHBondContact O-N 3.01Å; H96-K98 PolarHBondContact O-N 2.93Å; H96-F99 HydrophobicContact CB-CB 4.05Å; H96-F99 PolarHBondContact ND1-N 3.24Å; H96-F99 PolarHBondContact O-N 3.22Å; H96-F99 VanDerWaalsContact O-N 3.09Å; H96-L100 PolarHBondContact O-N 3.39Å; H96-A122 PolarHBondContact N-O 2.81Å; H96-I124 HydrophobicContact CB-CD1 3.5Å; H96-I124 VanDerWaalsContact CB-CD1 3.5Å; H96-I124 HydrophobicContact CB-CG1 3.59Å
97	P	93.3	Very high	92.3	Very high	94 Å²	94	65 Å²	65	61%	0.61	31%	0.312	S	S	*	.	H	α-helix	trans	-64.2	-40.6	-166	22.6	-32.8	0	0	0	112.7	I95 F99 L100 Q101	I95-P97 WeakPolarHBondContact O-CD 3.47Å; P97-F99 VanDerWaalsContact C-N 3.34Å; P97-L100 PolarHBondContact O-N 3.33Å; P97-Q101 WeakPolarHBondContact O-CB 3.41Å; P97-Q101 PolarHBondContact O-N 3.04Å
98	K	92.9	Very high	90.8	Very high	79 Å²	79	68.1 Å²	68.1	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-67.9	-34.7	177.6	-170.8	176.9	-178.8	170.6	0	112	H96 Q101 T102 L130 E141	H96-K98 PolarHBondContact O-N 2.93Å; K98-Q101 PolarHBondContact O-N 3.18Å; K98-T102 PolarHBondContact O-N 3Å; K98-T102 PolarHBondContact O-OG1 3Å; K98-L130 HydrophobicContact CB-CD1 4.11Å; K98-L130 HydrophobicContact CD-CD1 4.43Å; K98-L130 HydrophobicContact CG-CD1 4.18Å; K98-E141 WeakPolarHBondContact CE-OE1 3.28Å; K98-E141 IonicContact NZ-OE1 2.74Å; K98-E141 PolarHBondContact NZ-OE1 3.31Å
99	F	93.7	Very high	88.9	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-70	-47.4	178.7	-162.3	174	0	0	0	109.6	H96 P97 Q101 T102 L103 L121 A122 I124 L130 Y144 P145 V147	H96-F99 HydrophobicContact CB-CB 4.05Å; H96-F99 PolarHBondContact ND1-N 3.24Å; H96-F99 PolarHBondContact O-N 3.22Å; H96-F99 VanDerWaalsContact O-N 3.09Å; P97-F99 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 2.73Å; F99-T102 WeakPolarHBondContact O-CA 3.35Å; F99-T102 WeakPolarHBondContact O-CB 3.37Å; F99-T102 PolarHBondContact O-N 2.93Å; F99-L103 HydrophobicContact CD2-CD1 4.28Å; F99-L103 HydrophobicContact CD2-CD2 4.33Å; F99-L103 HydrophobicContact CD2-CG 3.94Å; F99-L103 HydrophobicContact CE2-CD1 4.31Å; F99-L103 HydrophobicContact CE2-CD2 3.86Å; F99-L103 HydrophobicContact CE2-CG 3.96Å; F99-L103 WeakPolarHBondContact O-CG 3.47Å; F99-L103 PolarHBondContact O-N 2.85Å; F99-L121 WeakPolarHBondContact CD1-O 3.42Å; F99-L121 WeakPolarHBondContact CE1-O 3.34Å; F99-A122 HydrophobicContact CB-CB 4.13Å; F99-A122 HydrophobicContact CD1-CB 4.4Å; F99-A122 HydrophobicContact CG-CB 4.25Å; F99-I124 HydrophobicContact CD1-CD1 4.15Å; F99-I124 HydrophobicContact CD1-CG2 4.03Å; F99-I124 HydrophobicContact CE1-CG2 4.08Å; F99-L130 HydrophobicContact CB-CD1 3.79Å; F99-L130 HydrophobicContact CB-CD2 4.26Å; F99-L130 HydrophobicContact CD1-CD2 3.99Å; F99-L130 HydrophobicContact CG-CD1 4.33Å; F99-L130 HydrophobicContact CG-CD2 4.17Å; F99-Y144 HydrophobicContact CE2-CE1 4.1Å; F99-Y144 HydrophobicContact CE2-CE2 4.16Å; F99-Y144 AromaticContact CE2-CZ 3.87Å; F99-Y144 AromaticContact CZ-CE1 3.71Å; F99-Y144 HydrophobicContact CZ-CE1 3.71Å; F99-Y144 HydrophobicContact CZ-CE2 4.32Å; F99-Y144 AromaticContact CZ-CZ 3.59Å; F99-Y144 WeakPolarHBondContact CZ-OH 3.36Å; F99-P145 HydrophobicContact CD2-CG 3.51Å; F99-P145 HydrophobicContact CE1-CG 4.49Å; F99-P145 HydrophobicContact CE2-CG 3.4Å; F99-P145 VanDerWaalsContact CE2-CG 3.4Å; F99-P145 HydrophobicContact CG-CG 4.17Å; F99-P145 HydrophobicContact CZ-CG 3.91Å; F99-V147 HydrophobicContact CD1-CG2 4.33Å; F99-V147 HydrophobicContact CE1-CG2 3.8Å
100	L	91.1	Very high	86.8	Confident	22 Å²	22	79.3 Å²	79.3	12%	0.115	39%	0.391	C	S	.	.	H	α-helix	trans	-56.5	-39	174.9	-175.4	63.8	0	0	0	111.9	I95 H96 P97 L103 R104 T119 A122	I95-L100 HydrophobicContact CG2-CB 4.39Å; I95-L100 HydrophobicContact CG2-CD2 3.93Å; H96-L100 PolarHBondContact O-N 3.39Å; P97-L100 PolarHBondContact O-N 3.33Å; L100-L103 PolarHBondContact O-N 2.99Å; L100-R104 WeakPolarHBondContact O-CG 3.17Å; L100-R104 PolarHBondContact O-N 3.48Å; L100-T119 HydrophobicContact CD1-CG2 4.37Å; L100-A122 HydrophobicContact CB-CB 4.01Å; L100-A122 HydrophobicContact CD1-CB 4.4Å
101	Q	89.5	Confident	84.9	Confident	109 Å²	109	79.4 Å²	79.4	51%	0.509	39%	0.388	S	S	.	.	H	α-helix	trans	-65.2	-41	174.5	-171.6	176.2	22.4	0	0	112.6	P97 K98 F99 R104 R105	P97-Q101 WeakPolarHBondContact O-CB 3.41Å; P97-Q101 PolarHBondContact O-N 3.04Å; K98-Q101 PolarHBondContact O-N 3.18Å; F99-Q101 PolarHBondContact O-N 2.73Å; Q101-R104 PolarHBondContact O-N 3.04Å; Q101-R105 WeakPolarHBondContact O-CG 3.45Å; Q101-R105 PolarHBondContact O-N 3.29Å
102	T	89.4	Confident	83	Confident	0 Å²	0	78 Å²	78	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-44.5	172.8	-68.4	0	0	0	0	111.8	K98 F99 R104 R105 L106 Y132 S143	K98-T102 PolarHBondContact O-N 3Å; K98-T102 PolarHBondContact O-OG1 3Å; F99-T102 WeakPolarHBondContact O-CA 3.35Å; F99-T102 WeakPolarHBondContact O-CB 3.37Å; F99-T102 PolarHBondContact O-N 2.93Å; T102-R104 PolarHBondContact O-N 3.15Å; T102-R105 WeakPolarHBondContact O-CB 3.39Å; T102-R105 PolarHBondContact O-N 3.43Å; T102-R105 VanDerWaalsContact O-N 3.11Å; T102-R105 PolarHBondContact OG1-NH2 3.41Å; T102-L106 HydrophobicContact CG2-CD1 3.74Å; T102-L106 HydrophobicContact CG2-CG 4.21Å; T102-L106 WeakPolarHBondContact O-CG 3.48Å; T102-L106 PolarHBondContact O-N 3.23Å; T102-Y132 HydrophobicContact CG2-CE1 4.15Å; T102-Y132 PolarHBondContact OG1-OH 2.91Å; T102-Y132 VanDerWaalsContact OG1-OH 3.13Å; T102-S143 VanDerWaalsContact CG2-O 3.3Å; T102-S143 WeakPolarHBondContact CG2-O 3.45Å
103	L	88.1	Confident	81.2	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-60.2	-43.7	177.6	-66.9	176.4	0	0	0	112.2	F99 L100 R105 L106 L107 I112 L121 A122 Y144	F99-L103 HydrophobicContact CD2-CD1 4.28Å; F99-L103 HydrophobicContact CD2-CD2 4.33Å; F99-L103 HydrophobicContact CD2-CG 3.94Å; F99-L103 HydrophobicContact CE2-CD1 4.31Å; F99-L103 HydrophobicContact CE2-CD2 3.86Å; F99-L103 HydrophobicContact CE2-CG 3.96Å; F99-L103 WeakPolarHBondContact O-CG 3.47Å; F99-L103 PolarHBondContact O-N 2.85Å; L100-L103 PolarHBondContact O-N 2.99Å; L103-R105 VanDerWaalsContact C-N 3.26Å; L103-R105 PolarHBondContact O-N 3.43Å; L103-L106 PolarHBondContact O-N 3.2Å; L103-L107 HydrophobicContact CB-CD1 4.3Å; L103-L107 HydrophobicContact CD2-CD1 4.21Å; L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 PolarHBondContact O-N 3.13Å; L103-I112 HydrophobicContact CB-CD1 4.15Å; L103-L121 HydrophobicContact CD1-CB 3.74Å; L103-L121 HydrophobicContact CD2-CB 4.47Å; L103-L121 HydrophobicContact CD2-CD1 4.23Å; L103-A122 HydrophobicContact CD1-CB 3.89Å; L103-Y144 HydrophobicContact CD2-CD2 4.05Å; L103-Y144 HydrophobicContact CD2-CE2 3.57Å
104	R	86.2	Confident	79.4	Confident	115 Å²	115	76.3 Å²	76.3	43%	0.434	40%	0.395	S	S	.	.	H	α-helix	trans	-59.6	-34.6	175.2	-75.5	174.8	176.4	149.6	-1.1	113	L100 Q101 T102 K108 P109 I112	L100-R104 WeakPolarHBondContact O-CG 3.17Å; L100-R104 PolarHBondContact O-N 3.48Å; Q101-R104 PolarHBondContact O-N 3.04Å; T102-R104 PolarHBondContact O-N 3.15Å; R104-K108 CarbonylContact O-C 3.51Å; R104-P109 WeakPolarHBondContact O-CA 3.44Å; R104-I112 HydrophobicContact CG-CB 4.4Å; R104-I112 HydrophobicContact CG-CD1 4.15Å
105	R	84.6	Confident	77.8	Confident	103 Å²	103	78.6 Å²	78.6	39%	0.389	42%	0.415	S	S	.	.	H	α-helix	trans	-70.8	-45.4	174.9	-73.5	-175.3	-73.7	-177.4	-10.9	111.8	Q101 T102 L103 E141	Q101-R105 WeakPolarHBondContact O-CG 3.45Å; Q101-R105 PolarHBondContact O-N 3.29Å; T102-R105 WeakPolarHBondContact O-CB 3.39Å; T102-R105 PolarHBondContact O-N 3.43Å; T102-R105 VanDerWaalsContact O-N 3.11Å; T102-R105 PolarHBondContact OG1-NH2 3.41Å; L103-R105 VanDerWaalsContact C-N 3.26Å; L103-R105 PolarHBondContact O-N 3.43Å; R105-E141 VanDerWaalsContact CZ-O 3.26Å; R105-E141 IonicContact CZ-OE2 3.51Å; R105-E141 PolarHBondContact NH1-O 2.95Å; R105-E141 IonicContact NH1-OE2 2.85Å; R105-E141 PolarHBondContact NH1-OE2 2.96Å; R105-E141 PolarHBondContact NH2-O 2.87Å; R105-E141 IonicContact NH2-OE2 3.96Å; R105-E141 PolarHBondContact NH2-OE2 3.14Å; R105-E141 VanDerWaalsContact NH2-OE2 3.13Å
106	L	83.1	Confident	76.7	Confident	72 Å²	72	75.9 Å²	75.9	38%	0.377	40%	0.402	S	S	.	.	H	α-helix	trans	-72.2	-40.8	-174.8	-71.4	175.9	0	0	0	113.6	T102 L103 K108 S142 Y144	T102-L106 HydrophobicContact CG2-CD1 3.74Å; T102-L106 HydrophobicContact CG2-CG 4.21Å; T102-L106 WeakPolarHBondContact O-CG 3.48Å; T102-L106 PolarHBondContact O-N 3.23Å; L103-L106 PolarHBondContact O-N 3.2Å; L106-K108 PolarHBondContact O-N 2.53Å; L106-S142 WeakPolarHBondContact CD2-O 3.42Å; L106-Y144 HydrophobicContact CD1-CD2 4.25Å
107	L	75.4	Confident	75.6	Confident	74 Å²	74	78.6 Å²	78.6	39%	0.387	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	22.2	-166.1	-62.9	165.4	0	0	0	114.4	L103 I112 M118	L103-L107 HydrophobicContact CB-CD1 4.3Å; L103-L107 HydrophobicContact CD2-CD1 4.21Å; L103-L107 WeakPolarHBondContact O-CB 3.42Å; L103-L107 PolarHBondContact O-N 3.13Å; L107-I112 HydrophobicContact CB-CD1 4.25Å; L107-I112 HydrophobicContact CD1-CD1 4.13Å; L107-M118 HydrophobicContact CD1-CE 3.25Å; L107-M118 HydrophobicContact CD1-CG 4.49Å; L107-M118 HydrophobicContact CD2-CE 4.11Å; L107-M118 HydrophobicContact CG-CE 4.32Å
108	K	67.5	Low	74.8	Confident	162 Å²	162	76.5 Å²	76.5	70%	0.704	41%	0.405	S	S	*	.			trans	72.9	130.5	-168.3	-55	178.9	-179.8	176.7	0	113.2	R104 L106 N110	R104-K108 CarbonylContact O-C 3.51Å; L106-K108 PolarHBondContact O-N 2.53Å; K108-N110 VanDerWaalsContact C-N 3.28Å; K108-N110 PolarHBondContact O-N 3.33Å
109	P	57.6	Low	74.3	Confident	103 Å²	103	73.4 Å²	73.4	67%	0.669	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.9	-169.9	-26.5	33.4	0	0	0	117.1	R104	R104-P109 WeakPolarHBondContact O-CA 3.44Å
110	N	55.1	Low	74.1	Confident	155 Å²	155	75.1 Å²	75.1	83%	0.829	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	10.8	-163.5	-68	-5.6	0	0	0	115.5	K108	K108-N110 VanDerWaalsContact C-N 3.28Å; K108-N110 PolarHBondContact O-N 3.33Å
111	M	56.1	Low	74.2	Confident	148 Å²	148	74.7 Å²	74.7	73%	0.729	40%	0.398	S	S	*	.	S	Bend	trans	-113.5	-17.6	-174.6	-80.5	-72.9	162	0	0	116.1	S113	M111-S113 PolarHBondContact O-N 3.48Å
112	I	56.1	Low	74.4	Confident	20 Å²	20	69.5 Å²	69.5	10%	0.103	37%	0.373	C	S	.	.			trans	-90.8	90.5	-173.7	-48.2	-178	0	0	0	111.4	L103 R104 L107 D116 T119	L103-I112 HydrophobicContact CB-CD1 4.15Å; R104-I112 HydrophobicContact CG-CB 4.4Å; R104-I112 HydrophobicContact CG-CD1 4.15Å; L107-I112 HydrophobicContact CB-CD1 4.25Å; L107-I112 HydrophobicContact CD1-CD1 4.13Å; I112-D116 WeakPolarHBondContact CA-OD2 3.42Å; I112-D116 HydrophobicContact CG2-CB 3.94Å; I112-T119 HydrophobicContact CG2-CG2 3.94Å
113	S	61	Low	74.7	Confident	58 Å²	58	73.4 Å²	73.4	41%	0.406	39%	0.39	S	S	.	.			trans	-70.9	162.8	163.5	72.8	0	0	0	0	111.2	M111 S115 D116 T119	M111-S113 PolarHBondContact O-N 3.48Å; S113-S115 PolarHBondContact O-N 2.85Å; S113-S115 PolarHBondContact OG-N 3.25Å; S113-S115 PolarHBondContact OG-OG 2.94Å; S113-D116 WeakPolarHBondContact O-CB 3.43Å; S113-D116 PolarHBondContact O-N 3.47Å; S113-D116 PolarHBondContact OG-N 3.04Å; S113-T119 WeakPolarHBondContact O-CG2 3.05Å
114	S	59.7	Low	75.1	Confident	117 Å²	117	73.3 Å²	73.3	82%	0.818	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.4	174.9	47.7	0	0	0	0	113.8
115	S	63.1	Low	75.7	Confident	101 Å²	101	67.9 Å²	67.9	71%	0.706	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.6	174.4	46.7	0	0	0	0	114	S113	S113-S115 PolarHBondContact O-N 2.85Å; S113-S115 PolarHBondContact OG-N 3.25Å; S113-S115 PolarHBondContact OG-OG 2.94Å
116	D	71.9	Confident	76.3	Confident	31 Å²	31	68.2 Å²	68.2	17%	0.166	38%	0.375	C	S	.	.			trans	-67.9	129	-179.9	-171.7	-30.5	0	0	0	110	I112 S113 M118 T119	I112-D116 WeakPolarHBondContact CA-OD2 3.42Å; I112-D116 HydrophobicContact CG2-CB 3.94Å; S113-D116 WeakPolarHBondContact O-CB 3.43Å; S113-D116 PolarHBondContact O-N 3.47Å; S113-D116 PolarHBondContact OG-N 3.04Å; D116-M118 PolarHBondContact O-N 2.91Å; D116-M118 VanDerWaalsContact OD1-CB 3.28Å; D116-M118 WeakPolarHBondContact OD1-CB 3.4Å; D116-M118 WeakPolarHBondContact OD1-CG 3.36Å; D116-M118 PolarHBondContact OD1-N 2.82Å; D116-T119 HydrophobicContact CB-CG2 4.36Å; D116-T119 WeakPolarHBondContact O-CB 3.32Å; D116-T119 WeakPolarHBondContact O-CG2 3.32Å; D116-T119 PolarHBondContact O-N 2.82Å; D116-T119 PolarHBondContact O-OG1 3.13Å
117	P	72	Confident	77	Confident	87 Å²	87	67.6 Å²	67.6	57%	0.565	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-47.1	-29.8	171.1	-29.1	35.4	0	0	0	113.8	T119 K120	P117-T119 PolarHBondContact O-N 2.78Å; P117-K120 WeakPolarHBondContact O-CB 3.47Å; P117-K120 PolarHBondContact O-N 3.38Å
118	M	75.9	Confident	78.1	Confident	50 Å²	50	64.7 Å²	64.7	25%	0.246	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-65.4	-20.3	177.1	-60.8	-56.9	-79.7	0	0	113.5	L107 D116 K120 L121	L107-M118 HydrophobicContact CD1-CE 3.25Å; L107-M118 HydrophobicContact CD1-CG 4.49Å; L107-M118 HydrophobicContact CD2-CE 4.11Å; L107-M118 HydrophobicContact CG-CE 4.32Å; D116-M118 PolarHBondContact O-N 2.91Å; D116-M118 VanDerWaalsContact OD1-CB 3.28Å; D116-M118 WeakPolarHBondContact OD1-CB 3.4Å; D116-M118 WeakPolarHBondContact OD1-CG 3.36Å; D116-M118 PolarHBondContact OD1-N 2.82Å; M118-K120 PolarHBondContact O-N 3.23Å; M118-L121 HydrophobicContact CE-CD1 3.37Å; M118-L121 WeakPolarHBondContact O-CB 3.47Å; M118-L121 PolarHBondContact O-N 3.41Å; M118-L121 HydrophobicContact SD-CD1 3.96Å
119	T	83.5	Confident	79.5	Confident	14 Å²	14	61.3 Å²	61.3	9%	0.086	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-63.3	-23.8	170.4	62.4	0	0	0	0	112.3	L100 I112 S113 D116 P117 L121 A122 K123	L100-T119 HydrophobicContact CD1-CG2 4.37Å; I112-T119 HydrophobicContact CG2-CG2 3.94Å; S113-T119 WeakPolarHBondContact O-CG2 3.05Å; D116-T119 HydrophobicContact CB-CG2 4.36Å; D116-T119 WeakPolarHBondContact O-CB 3.32Å; D116-T119 WeakPolarHBondContact O-CG2 3.32Å; D116-T119 PolarHBondContact O-N 2.82Å; D116-T119 PolarHBondContact O-OG1 3.13Å; P117-T119 PolarHBondContact O-N 2.78Å; T119-L121 VanDerWaalsContact C-N 3.28Å; T119-L121 PolarHBondContact O-N 2.74Å; T119-A122 PolarHBondContact O-N 3.43Å; T119-K123 PolarHBondContact O-N 3.01Å
120	K	89.6	Confident	81.3	Confident	35 Å²	35	57.4 Å²	57.4	15%	0.152	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-60.5	-37.1	173.6	-172.1	179.8	174.1	-177.2	0	111.7	T76 D79 P117 M118 A122 K123	T76-K120 PolarHBondContact O-NZ 3.4Å; D79-K120 WeakPolarHBondContact O-CE 3.37Å; D79-K120 PolarHBondContact O-NZ 2.89Å; P117-K120 WeakPolarHBondContact O-CB 3.47Å; P117-K120 PolarHBondContact O-N 3.38Å; M118-K120 PolarHBondContact O-N 3.23Å; K120-A122 PolarHBondContact O-N 3Å; K120-A122 VanDerWaalsContact O-N 3.15Å; K120-K123 VanDerWaalsContact O-CB 3.29Å; K120-K123 WeakPolarHBondContact O-CB 3.4Å; K120-K123 PolarHBondContact O-N 3.24Å
121	L	92	Very high	83.2	Confident	13 Å²	13	50.2 Å²	50.2	7%	0.068	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-60	-30	178.7	-61.3	176.1	0	0	0	112.6	I73 F99 L103 M118 T119 Y144	I73-L121 WeakPolarHBondContact O-CD2 3.18Å; F99-L121 WeakPolarHBondContact CD1-O 3.42Å; F99-L121 WeakPolarHBondContact CE1-O 3.34Å; L103-L121 HydrophobicContact CD1-CB 3.74Å; L103-L121 HydrophobicContact CD2-CB 4.47Å; L103-L121 HydrophobicContact CD2-CD1 4.23Å; M118-L121 HydrophobicContact CE-CD1 3.37Å; M118-L121 WeakPolarHBondContact O-CB 3.47Å; M118-L121 PolarHBondContact O-N 3.41Å; M118-L121 HydrophobicContact SD-CD1 3.96Å; T119-L121 VanDerWaalsContact C-N 3.28Å; T119-L121 PolarHBondContact O-N 2.74Å; L121-Y144 HydrophobicContact CD1-CE2 4.39Å
122	A	94	Very high	84.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-88.6	-1.6	176.2	0	0	0	0	0	113.7	I95 H96 F99 L100 L103 T119 K120 I124	I95-A122 WeakPolarHBondContact CA-O 3.05Å; I95-A122 HydrophobicContact CG2-CB 4.32Å; H96-A122 PolarHBondContact N-O 2.81Å; F99-A122 HydrophobicContact CB-CB 4.13Å; F99-A122 HydrophobicContact CD1-CB 4.4Å; F99-A122 HydrophobicContact CG-CB 4.25Å; L100-A122 HydrophobicContact CB-CB 4.01Å; L100-A122 HydrophobicContact CD1-CB 4.4Å; L103-A122 HydrophobicContact CD1-CB 3.89Å; T119-A122 PolarHBondContact O-N 3.43Å; K120-A122 PolarHBondContact O-N 3Å; K120-A122 VanDerWaalsContact O-N 3.15Å; A122-I124 PolarHBondContact O-N 3.5Å
123	K	96	Very high	86.3	Confident	82 Å²	82	45 Å²	45	36%	0.357	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	99.1	174.4	-72.4	-177.7	-175.3	176	0	109.4	I93 I94 I95 T119 K120	I93-K123 HydrophobicContact CG2-CB 3.62Å; I93-K123 HydrophobicContact CG2-CG 4.34Å; I94-K123 CarbonylContact O-C 3.51Å; I94-K123 VanDerWaalsContact O-CA 3.28Å; I94-K123 WeakPolarHBondContact O-CA 3.37Å; I95-K123 HydrophobicContact CG1-CG 3.84Å; T119-K123 PolarHBondContact O-N 3.01Å; K120-K123 VanDerWaalsContact O-CB 3.29Å; K120-K123 WeakPolarHBondContact O-CB 3.4Å; K120-K123 PolarHBondContact O-N 3.24Å
124	I	97.7	Very high	86.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	164.2	-173.4	65.3	175.3	0	0	0	110.4	Y82 I94 H96 F99 A122 S128 L130 V147	Y82-I124 HydrophobicContact CD1-CB 4.3Å; Y82-I124 HydrophobicContact CD1-CG2 3.94Å; Y82-I124 HydrophobicContact CD2-CG2 4.05Å; Y82-I124 HydrophobicContact CE1-CG2 3.87Å; Y82-I124 HydrophobicContact CE2-CG2 3.97Å; Y82-I124 HydrophobicContact CG-CG2 4.05Å; I94-I124 PolarHBondContact N-O 2.86Å; I94-I124 PolarHBondContact O-N 3.2Å; H96-I124 HydrophobicContact CB-CD1 3.5Å; H96-I124 VanDerWaalsContact CB-CD1 3.5Å; H96-I124 HydrophobicContact CB-CG1 3.59Å; F99-I124 HydrophobicContact CD1-CD1 4.15Å; F99-I124 HydrophobicContact CD1-CG2 4.03Å; F99-I124 HydrophobicContact CE1-CG2 4.08Å; A122-I124 PolarHBondContact O-N 3.5Å; I124-S128 VanDerWaalsContact CD1-CB 3.42Å; I124-L130 HydrophobicContact CD1-CD2 3.93Å; I124-V147 HydrophobicContact CB-CG1 4.39Å; I124-V147 HydrophobicContact CD1-CG1 4.27Å; I124-V147 HydrophobicContact CD1-CG2 4.23Å; I124-V147 HydrophobicContact CG2-CG1 4.49Å; I124-V147 HydrophobicContact CG2-CG2 4Å
125	P	98.2	Very high	86.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	143.1	175.6	-24.6	32.9	0	0	0	112.3	V85 A86 I93 S127 S128 V149	V85-P125 HydrophobicContact CB-CG 4.4Å; V85-P125 HydrophobicContact CG1-CG 4.11Å; A86-P125 HydrophobicContact CB-CB 4.11Å; A86-P125 HydrophobicContact CB-CG 3.97Å; I93-P125 HydrophobicContact CD1-CG 4.32Å; P125-S127 VanDerWaalsContact C-N 3.3Å; P125-S127 PolarHBondContact O-N 2.93Å; P125-S128 WeakPolarHBondContact CD-OG 3.47Å; P125-S128 WeakPolarHBondContact O-CB 3.48Å; P125-S128 PolarHBondContact O-N 2.76Å; P125-S128 VanDerWaalsContact O-N 3.11Å; P125-S128 PolarHBondContact O-OG 3.39Å; P125-V149 HydrophobicContact CB-CG2 4.18Å; P125-V149 HydrophobicContact CG-CG2 4.11Å
126	E	97.7	Very high	85.9	Confident	110 Å²	110	48.3 Å²	48.3	51%	0.514	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.8	-174.7	-176	168.6	-151.4	0	0	114.1	K92 I94 S128	K92-E126 PolarHBondContact O-N 3.02Å; I94-E126 HydrophobicContact CD1-CB 4.5Å; I94-E126 HydrophobicContact CD1-CG 4.31Å; I94-E126 HydrophobicContact CG2-CB 4.14Å; I94-E126 HydrophobicContact CG2-CG 4.21Å; E126-S128 PolarHBondContact O-N 3.46Å
127	S	97.5	Very high	84.6	Confident	60 Å²	60	55.3 Å²	55.3	42%	0.42	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	14.8	-179.4	69.9	0	0	0	0	115	E91 P125 V149	E91-S127 PolarHBondContact OE1-OG 2.97Å; E91-S127 VanDerWaalsContact OE2-CB 3.23Å; E91-S127 WeakPolarHBondContact OE2-CB 3.35Å; E91-S127 PolarHBondContact OE2-N 3.23Å; E91-S127 VanDerWaalsContact OE2-N 3.11Å; E91-S127 PolarHBondContact OE2-OG 3.33Å; P125-S127 VanDerWaalsContact C-N 3.3Å; P125-S127 PolarHBondContact O-N 2.93Å; S127-V149 WeakPolarHBondContact OG-CG1 3.49Å
128	S	98.1	Very high	83.3	Confident	12 Å²	12	57.5 Å²	57.5	8%	0.084	31%	0.31	C	S	.	.			trans	-68.6	140.1	-175.6	-61.9	0	0	0	0	114.1	I124 P125 E126 K148 V149	I124-S128 VanDerWaalsContact CD1-CB 3.42Å; P125-S128 WeakPolarHBondContact CD-OG 3.47Å; P125-S128 WeakPolarHBondContact O-CB 3.48Å; P125-S128 PolarHBondContact O-N 2.76Å; P125-S128 VanDerWaalsContact O-N 3.11Å; P125-S128 PolarHBondContact O-OG 3.39Å; E126-S128 PolarHBondContact O-N 3.46Å; S128-K148 WeakPolarHBondContact CA-O 3.49Å; S128-V149 VanDerWaalsContact OG-CG2 3.31Å; S128-V149 WeakPolarHBondContact OG-CG2 3.48Å
129	E	97.1	Very high	82.1	Confident	91 Å²	91	57.8 Å²	57.8	43%	0.425	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.7	166.5	-175.3	-177.2	-178.1	0	0	109.7	L131 K148	E129-L131 HydrophobicContact CG-CD2 3.96Å; E129-K148 HydrophobicContact CB-CB 4.41Å; E129-K148 PolarHBondContact N-O 3.24Å; E129-K148 PolarHBondContact O-N 3.05Å; E129-K148 IonicContact OE2-NZ 2.68Å; E129-K148 PolarHBondContact OE2-NZ 2.9Å
130	L	95.9	Very high	80.9	Confident	21 Å²	21	60 Å²	60	11%	0.11	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.8	175.7	-60.4	-177.3	0	0	0	110.5	K98 F99 I124 Y132 P145 V147	K98-L130 HydrophobicContact CB-CD1 4.11Å; K98-L130 HydrophobicContact CD-CD1 4.43Å; K98-L130 HydrophobicContact CG-CD1 4.18Å; F99-L130 HydrophobicContact CB-CD1 3.79Å; F99-L130 HydrophobicContact CB-CD2 4.26Å; F99-L130 HydrophobicContact CD1-CD2 3.99Å; F99-L130 HydrophobicContact CG-CD1 4.33Å; F99-L130 HydrophobicContact CG-CD2 4.17Å; I124-L130 HydrophobicContact CD1-CD2 3.93Å; L130-Y132 HydrophobicContact CB-CD2 4.41Å; L130-Y132 HydrophobicContact CB-CE2 3.62Å; L130-Y132 HydrophobicContact CD1-CE2 4.41Å; L130-Y132 WeakPolarHBondContact CD1-OH 3.49Å; L130-P145 HydrophobicContact CB-CB 3.96Å; L130-P145 HydrophobicContact CD1-CG 4.36Å; L130-P145 HydrophobicContact CD2-CB 4.24Å; L130-P145 HydrophobicContact CD2-CG 4.16Å; L130-P145 HydrophobicContact CG-CB 4.49Å; L130-V147 HydrophobicContact CD2-CG2 4.03Å
131	L	94.9	Very high	79.7	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.021	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.3	177.2	-50	-176.1	0	0	0	109.8	E129 P145 I146 K148 F153 I168 I169	E129-L131 HydrophobicContact CG-CD2 3.96Å; L131-P145 CarbonylContact O-C 3.42Å; L131-P145 WeakPolarHBondContact O-CA 3.48Å; L131-I146 HydrophobicContact CB-CB 4.36Å; L131-I146 PolarHBondContact N-O 3.26Å; L131-I146 PolarHBondContact O-N 2.95Å; L131-K148 HydrophobicContact CD1-CB 3.9Å; L131-K148 HydrophobicContact CD1-CD 3.91Å; L131-K148 HydrophobicContact CD2-CD 4.35Å; L131-K148 HydrophobicContact CG-CB 4.06Å; L131-K148 HydrophobicContact CG-CD 4.47Å; L131-F153 HydrophobicContact CD1-CD1 3.85Å; L131-F153 HydrophobicContact CD1-CE1 3.65Å; L131-I168 HydrophobicContact CB-CG2 4.02Å; L131-I169 HydrophobicContact CD1-CG2 4.3Å
132	Y	91.7	Very high	78.5	Confident	22 Å²	22	63.5 Å²	63.5	9%	0.086	36%	0.364	C	S	.	.			trans	-118.9	156.6	-176.7	-66.2	-93.5	0	0	0	110.9	T102 L130 T134 S140 P145	T102-Y132 HydrophobicContact CG2-CE1 4.15Å; T102-Y132 PolarHBondContact OG1-OH 2.91Å; T102-Y132 VanDerWaalsContact OG1-OH 3.13Å; L130-Y132 HydrophobicContact CB-CD2 4.41Å; L130-Y132 HydrophobicContact CB-CE2 3.62Å; L130-Y132 HydrophobicContact CD1-CE2 4.41Å; L130-Y132 WeakPolarHBondContact CD1-OH 3.49Å; Y132-T134 PolarHBondContact O-N 3.3Å; Y132-S140 VanDerWaalsContact CB-O 3.3Å; Y132-S140 WeakPolarHBondContact CB-O 3.48Å; Y132-S140 WeakPolarHBondContact CD1-O 3.37Å; Y132-P145 HydrophobicContact CD1-CB 3.95Å; Y132-P145 HydrophobicContact CD2-CB 4.47Å; Y132-P145 HydrophobicContact CE1-CB 3.67Å; Y132-P145 HydrophobicContact CE1-CG 4.06Å; Y132-P145 HydrophobicContact CE2-CB 4.2Å; Y132-P145 HydrophobicContact CG-CB 4.36Å
133	A	85.5	Confident	77.9	Confident	38 Å²	38	64.8 Å²	64.8	31%	0.314	37%	0.373	S	S	.	.			trans	-64	126	173.3	0	0	0	0	0	110.9	S143 I168	A133-S143 PolarHBondContact N-OG 2.69Å; A133-I168 HydrophobicContact CB-CD1 4.19Å; A133-I168 HydrophobicContact CB-CG1 3.96Å
134	T	69.5	Low	77.5	Confident	115 Å²	115	64.7 Å²	64.7	71%	0.706	37%	0.371	S	S	*	.			trans	-100.6	92.3	172.7	45	0	0	0	0	109.1	Y132	Y132-T134 PolarHBondContact O-N 3.3Å
135	G	55.2	Low	77.3	Confident	49 Å²	49	64.8 Å²	64.8	51%	0.505	37%	0.371	S	S	.	.			trans	-147.5	143.4	-177.6	0	0	0	0	0	112.4	Q137 M138	G135-Q137 VanDerWaalsContact C-N 3.29Å; G135-Q137 PolarHBondContact O-N 3.13Å; G135-M138 PolarHBondContact O-N 3.37Å
136	I	49.6	Very low	77.2	Confident	181 Å²	181	65.2 Å²	65.2	93%	0.928	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.1	-150.2	-67.6	168.3	0	0	0	116.8
137	Q	44.8	Very low	77.2	Confident	178 Å²	178	60 Å²	60	83%	0.832	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	-5.7	-176.5	-72.2	-169	-12.2	0	0	116.5	G135	G135-Q137 VanDerWaalsContact C-N 3.29Å; G135-Q137 PolarHBondContact O-N 3.13Å
138	M	44.9	Very low	77.3	Confident	133 Å²	133	59.3 Å²	59.3	66%	0.655	34%	0.339	S	S	*	.	S	Bend	trans	-119.2	120.3	175.5	-70.3	-70.2	-77.5	0	0	107.8	G135 S140	G135-M138 PolarHBondContact O-N 3.37Å; M138-S140 PolarHBondContact O-N 3.16Å; M138-S140 VanDerWaalsContact O-N 3.15Å
139	G	50.2	Low	77.2	Confident	56 Å²	56	58.8 Å²	58.8	58%	0.577	34%	0.335	S	S	*	.			trans	-47.3	127.4	172.2	0	0	0	0	0	109.1	E141 S142	G139-E141 PolarHBondContact O-N 3.35Å; G139-S142 VanDerWaalsContact O-CB 3.29Å; G139-S142 WeakPolarHBondContact O-CB 3.22Å; G139-S142 PolarHBondContact O-N 2.86Å; G139-S142 PolarHBondContact O-OG 3.26Å
140	S	58	Low	77.2	Confident	61 Å²	61	59.9 Å²	59.9	43%	0.427	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-46.9	-36.9	-164.9	51.1	0	0	0	0	113.7	Y132 M138 S142 S143	Y132-S140 VanDerWaalsContact CB-O 3.3Å; Y132-S140 WeakPolarHBondContact CB-O 3.48Å; Y132-S140 WeakPolarHBondContact CD1-O 3.37Å; M138-S140 PolarHBondContact O-N 3.16Å; M138-S140 VanDerWaalsContact O-N 3.15Å; S140-S142 VanDerWaalsContact C-N 3.3Å; S140-S142 PolarHBondContact O-N 3.5Å; S140-S143 PolarHBondContact O-OG 2.99Å
141	E	64.7	Low	77.3	Confident	68 Å²	68	60.4 Å²	60.4	32%	0.318	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-82.5	4.1	-178.4	-50.2	-165.1	157.2	0	0	116.4	K98 R105 G139 S143	K98-E141 WeakPolarHBondContact CE-OE1 3.28Å; K98-E141 IonicContact NZ-OE1 2.74Å; K98-E141 PolarHBondContact NZ-OE1 3.31Å; R105-E141 VanDerWaalsContact CZ-O 3.26Å; R105-E141 IonicContact CZ-OE2 3.51Å; R105-E141 PolarHBondContact NH1-O 2.95Å; R105-E141 IonicContact NH1-OE2 2.85Å; R105-E141 PolarHBondContact NH1-OE2 2.96Å; R105-E141 PolarHBondContact NH2-O 2.87Å; R105-E141 IonicContact NH2-OE2 3.96Å; R105-E141 PolarHBondContact NH2-OE2 3.14Å; R105-E141 VanDerWaalsContact NH2-OE2 3.13Å; G139-E141 PolarHBondContact O-N 3.35Å; E141-S143 VanDerWaalsContact C-N 3.3Å
142	S	67.1	Low	77.5	Confident	52 Å²	52	60.2 Å²	60.2	36%	0.364	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-89.4	6.7	174.3	-60	0	0	0	0	112.9	L106 G139 S140	L106-S142 WeakPolarHBondContact CD2-O 3.42Å; G139-S142 VanDerWaalsContact O-CB 3.29Å; G139-S142 WeakPolarHBondContact O-CB 3.22Å; G139-S142 PolarHBondContact O-N 2.86Å; G139-S142 PolarHBondContact O-OG 3.26Å; S140-S142 VanDerWaalsContact C-N 3.3Å; S140-S142 PolarHBondContact O-N 3.5Å
143	S	81.4	Confident	77.8	Confident	27 Å²	27	59.2 Å²	59.2	19%	0.189	34%	0.337	C	S	.	.	S	Bend	trans	-107.5	156.5	176.5	61.6	0	0	0	0	111.4	T102 A133 S140 E141	T102-S143 VanDerWaalsContact CG2-O 3.3Å; T102-S143 WeakPolarHBondContact CG2-O 3.45Å; A133-S143 PolarHBondContact N-OG 2.69Å; S140-S143 PolarHBondContact O-OG 2.99Å; E141-S143 VanDerWaalsContact C-N 3.3Å
144	Y	88.1	Confident	78.5	Confident	81 Å²	81	57.4 Å²	57.4	32%	0.318	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-68.8	126.3	171.1	-167.4	-77.1	0	0	0	108.8	F99 L103 L106 L121	F99-Y144 HydrophobicContact CE2-CE1 4.1Å; F99-Y144 HydrophobicContact CE2-CE2 4.16Å; F99-Y144 AromaticContact CE2-CZ 3.87Å; F99-Y144 AromaticContact CZ-CE1 3.71Å; F99-Y144 HydrophobicContact CZ-CE1 3.71Å; F99-Y144 HydrophobicContact CZ-CE2 4.32Å; F99-Y144 AromaticContact CZ-CZ 3.59Å; F99-Y144 WeakPolarHBondContact CZ-OH 3.36Å; L103-Y144 HydrophobicContact CD2-CD2 4.05Å; L103-Y144 HydrophobicContact CD2-CE2 3.57Å; L106-Y144 HydrophobicContact CD1-CD2 4.25Å; L121-Y144 HydrophobicContact CD1-CE2 4.39Å
145	P	93.6	Very high	79.8	Confident	1 Å²	1	52 Å²	52	1%	0.006	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-80.3	155.6	-175.3	31.6	-33.7	0	0	0	112.6	F99 L130 L131 Y132	F99-P145 HydrophobicContact CD2-CG 3.51Å; F99-P145 HydrophobicContact CE1-CG 4.49Å; F99-P145 HydrophobicContact CE2-CG 3.4Å; F99-P145 VanDerWaalsContact CE2-CG 3.4Å; F99-P145 HydrophobicContact CG-CG 4.17Å; F99-P145 HydrophobicContact CZ-CG 3.91Å; L130-P145 HydrophobicContact CB-CB 3.96Å; L130-P145 HydrophobicContact CD1-CG 4.36Å; L130-P145 HydrophobicContact CD2-CB 4.24Å; L130-P145 HydrophobicContact CD2-CG 4.16Å; L130-P145 HydrophobicContact CG-CB 4.49Å; L131-P145 CarbonylContact O-C 3.42Å; L131-P145 WeakPolarHBondContact O-CA 3.48Å; Y132-P145 HydrophobicContact CD1-CB 3.95Å; Y132-P145 HydrophobicContact CD2-CB 4.47Å; Y132-P145 HydrophobicContact CE1-CB 3.67Å; Y132-P145 HydrophobicContact CE1-CG 4.06Å; Y132-P145 HydrophobicContact CE2-CB 4.2Å; Y132-P145 HydrophobicContact CG-CB 4.36Å
146	I	96	Very high	81.8	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.051	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.3	164.5	-56.4	-51.8	0	0	0	109	L131 L155 A165 I168 I169	L131-I146 HydrophobicContact CB-CB 4.36Å; L131-I146 PolarHBondContact N-O 3.26Å; L131-I146 PolarHBondContact O-N 2.95Å; I146-L155 HydrophobicContact CG2-CD1 3.87Å; I146-L155 HydrophobicContact CG2-CG 4.49Å; I146-A165 HydrophobicContact CD1-CB 3.34Å; I146-A165 HydrophobicContact CG1-CB 3.84Å; I146-I168 HydrophobicContact CB-CG2 4.45Å; I146-I168 HydrophobicContact CD1-CD1 4.49Å; I146-I168 HydrophobicContact CG1-CB 4.15Å; I146-I168 HydrophobicContact CG1-CD1 3.95Å; I146-I168 HydrophobicContact CG1-CG2 4.02Å; I146-I169 HydrophobicContact CB-CG2 4.39Å; I146-I169 HydrophobicContact CG2-CG2 3.85Å
147	V	98.1	Very high	83.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.4	179.1	177.4	0	0	0	0	109.2	Y82 F99 I124 L130 V149 I154	Y82-V147 HydrophobicContact CD1-CG1 4.43Å; Y82-V147 HydrophobicContact CE1-CB 3.7Å; Y82-V147 HydrophobicContact CE1-CG1 3.79Å; Y82-V147 HydrophobicContact CE1-CG2 3.76Å; Y82-V147 VanDerWaalsContact OH-CG2 3.31Å; Y82-V147 WeakPolarHBondContact OH-CG2 3.44Å; F99-V147 HydrophobicContact CD1-CG2 4.33Å; F99-V147 HydrophobicContact CE1-CG2 3.8Å; I124-V147 HydrophobicContact CB-CG1 4.39Å; I124-V147 HydrophobicContact CD1-CG1 4.27Å; I124-V147 HydrophobicContact CD1-CG2 4.23Å; I124-V147 HydrophobicContact CG2-CG1 4.49Å; I124-V147 HydrophobicContact CG2-CG2 4Å; L130-V147 HydrophobicContact CD2-CG2 4.03Å; V147-V149 HydrophobicContact CG1-CG2 4.2Å; V147-I154 HydrophobicContact CB-CB 4.37Å; V147-I154 HydrophobicContact CG1-CD1 4.08Å; V147-I154 PolarHBondContact O-N 3.18Å
148	K	98.1	Very high	86.2	Confident	45 Å²	45	38.4 Å²	38.4	20%	0.196	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135	174.4	168.2	176.1	167.9	-81.6	0	109.8	S128 E129 L131 K150 I152 F153	S128-K148 WeakPolarHBondContact CA-O 3.49Å; E129-K148 HydrophobicContact CB-CB 4.41Å; E129-K148 PolarHBondContact N-O 3.24Å; E129-K148 PolarHBondContact O-N 3.05Å; E129-K148 IonicContact OE2-NZ 2.68Å; E129-K148 PolarHBondContact OE2-NZ 2.9Å; L131-K148 HydrophobicContact CD1-CB 3.9Å; L131-K148 HydrophobicContact CD1-CD 3.91Å; L131-K148 HydrophobicContact CD2-CD 4.35Å; L131-K148 HydrophobicContact CG-CB 4.06Å; L131-K148 HydrophobicContact CG-CD 4.47Å; K148-K150 WeakPolarHBondContact CE-O 3.32Å; K148-I152 CarbonylContact C-O 3.56Å; K148-I152 VanDerWaalsContact CA-O 3.3Å; K148-I152 WeakPolarHBondContact CA-O 3.48Å; K148-F153 HydrophobicContact CB-CD1 4.33Å; K148-F153 HydrophobicContact CD-CD1 4.23Å; K148-F153 HydrophobicContact CD-CE1 3.66Å; K148-F153 HydrophobicContact CD-CZ 3.89Å; K148-F153 HydrophobicContact CG-CD1 4.41Å; K148-F153 HydrophobicContact CG-CE1 4.29Å
149	V	97.9	Very high	88.3	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	119.5	173.3	-162.6	0	0	0	0	109	L89 P125 S127 S128 V147 N151 I152 I154	L89-V149 HydrophobicContact CD1-CB 4.11Å; L89-V149 HydrophobicContact CD1-CG1 3.35Å; P125-V149 HydrophobicContact CB-CG2 4.18Å; P125-V149 HydrophobicContact CG-CG2 4.11Å; S127-V149 WeakPolarHBondContact OG-CG1 3.49Å; S128-V149 VanDerWaalsContact OG-CG2 3.31Å; S128-V149 WeakPolarHBondContact OG-CG2 3.48Å; V147-V149 HydrophobicContact CG1-CG2 4.2Å; V149-N151 PolarHBondContact O-N 2.93Å; V149-N151 VanDerWaalsContact O-N 3.14Å; V149-I152 PolarHBondContact N-O 2.84Å; V149-I152 WeakPolarHBondContact O-CA 3.4Å; V149-I152 VanDerWaalsContact O-CB 3.32Å; V149-I152 WeakPolarHBondContact O-CB 3.37Å; V149-I152 PolarHBondContact O-N 2.84Å; V149-I154 HydrophobicContact CG2-CD1 4.37Å
150	K	97	Very high	90.2	Very high	114 Å²	114	35.6 Å²	35.6	50%	0.496	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-117.3	-170.9	-57.5	-178.2	-177.9	174.7	0	110.9	M61 L89 K148	M61-K150 HydrophobicContact CE-CD 3.89Å; L89-K150 HydrophobicContact CD2-CD 3.8Å; K148-K150 WeakPolarHBondContact CE-O 3.32Å
151	N	97.9	Very high	91.8	Very high	33 Å²	33	36.6 Å²	36.6	18%	0.176	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	10.7	176	62.7	-28.1	0	0	0	114.1	M61 Y64 D65 V67 V149	M61-N151 PolarHBondContact O-ND2 2.67Å; Y64-N151 PolarHBondContact O-ND2 3.41Å; D65-N151 VanDerWaalsContact O-CB 3.22Å; D65-N151 WeakPolarHBondContact O-CB 3.46Å; D65-N151 PolarHBondContact O-ND2 2.93Å; V67-N151 PolarHBondContact N-O 3.05Å; V149-N151 PolarHBondContact O-N 2.93Å; V149-N151 VanDerWaalsContact O-N 3.14Å
152	I	98.6	Very high	93.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.5	-176.9	-52.3	155.4	0	0	0	109.2	V57 M61 V67 T69 V85 L89 K148 V149 I154	V57-I152 HydrophobicContact CG1-CD1 3.53Å; V57-I152 HydrophobicContact CG1-CG1 4.42Å; M61-I152 HydrophobicContact CB-CD1 4.19Å; M61-I152 HydrophobicContact CB-CG1 4.29Å; V67-I152 HydrophobicContact CB-CB 4.42Å; V67-I152 HydrophobicContact CB-CG1 4.08Å; V67-I152 HydrophobicContact CB-CG2 4.35Å; V67-I152 HydrophobicContact CG1-CG2 4.32Å; V67-I152 HydrophobicContact CG2-CG1 4.47Å; V67-I152 CarbonylContact O-C 3.52Å; V67-I152 WeakPolarHBondContact O-CA 3.44Å; T69-I152 HydrophobicContact CG2-CG2 4.2Å; V85-I152 HydrophobicContact CG1-CD1 4.31Å; L89-I152 HydrophobicContact CD2-CD1 4.48Å; K148-I152 CarbonylContact C-O 3.56Å; K148-I152 VanDerWaalsContact CA-O 3.3Å; K148-I152 WeakPolarHBondContact CA-O 3.48Å; V149-I152 PolarHBondContact N-O 2.84Å; V149-I152 WeakPolarHBondContact O-CA 3.4Å; V149-I152 VanDerWaalsContact O-CB 3.32Å; V149-I152 WeakPolarHBondContact O-CB 3.37Å; V149-I152 PolarHBondContact O-N 2.84Å; I152-I154 HydrophobicContact CG2-CG1 4.14Å
153	F	98.7	Very high	94.4	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.2	173.9	-62.2	-99.4	0	0	0	108.6	Y66 V67 I68 T69 L131 K148 L155 I169 H172 I173	Y66-F153 AromaticContact CD1-CE2 3.8Å; Y66-F153 HydrophobicContact CD1-CE2 3.8Å; Y66-F153 HydrophobicContact CE1-CE2 4.38Å; V67-F153 PolarHBondContact O-N 3.2Å; I68-F153 CarbonylContact C-O 3.57Å; I68-F153 WeakPolarHBondContact CA-O 3.33Å; I68-F153 HydrophobicContact CG1-CB 4.18Å; T69-F153 PolarHBondContact N-O 2.86Å; L131-F153 HydrophobicContact CD1-CD1 3.85Å; L131-F153 HydrophobicContact CD1-CE1 3.65Å; K148-F153 HydrophobicContact CB-CD1 4.33Å; K148-F153 HydrophobicContact CD-CD1 4.23Å; K148-F153 HydrophobicContact CD-CE1 3.66Å; K148-F153 HydrophobicContact CD-CZ 3.89Å; K148-F153 HydrophobicContact CG-CD1 4.41Å; K148-F153 HydrophobicContact CG-CE1 4.29Å; F153-L155 HydrophobicContact CB-CD1 3.72Å; F153-I169 HydrophobicContact CB-CD1 4.4Å; F153-I169 HydrophobicContact CB-CG2 4.42Å; F153-I169 HydrophobicContact CD1-CB 3.79Å; F153-I169 HydrophobicContact CD1-CD1 4.49Å; F153-I169 HydrophobicContact CD1-CG2 3.49Å; F153-I169 VanDerWaalsContact CD1-CG2 3.49Å; F153-I169 HydrophobicContact CE1-CB 4Å; F153-I169 HydrophobicContact CE1-CG2 4.11Å; F153-I169 HydrophobicContact CG-CD1 4.44Å; F153-I169 HydrophobicContact CG-CG2 4.29Å; F153-H172 HydrophobicContact CE1-CB 3.78Å; F153-H172 HydrophobicContact CZ-CB 3.93Å; F153-I173 HydrophobicContact CD2-CG2 4.17Å; F153-I173 HydrophobicContact CE1-CG2 4.09Å; F153-I173 HydrophobicContact CE2-CG2 3.39Å; F153-I173 HydrophobicContact CZ-CG2 3.33Å
154	I	98.6	Very high	94.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	104.6	-171.5	-59.3	173.7	0	0	0	109	T69 I73 T81 Y82 V85 V147 V149 I152	T69-I154 WeakPolarHBondContact OG1-CA 3.2Å; I73-I154 HydrophobicContact CG2-CG2 3.44Å; I73-I154 VanDerWaalsContact CG2-CG2 3.44Å; T81-I154 HydrophobicContact CG2-CG2 3.89Å; Y82-I154 HydrophobicContact CD1-CD1 3.71Å; Y82-I154 HydrophobicContact CD1-CG2 4.11Å; Y82-I154 HydrophobicContact CE1-CB 4.08Å; Y82-I154 HydrophobicContact CE1-CD1 3.75Å; Y82-I154 HydrophobicContact CE1-CG2 3.52Å; V85-I154 HydrophobicContact CB-CD1 4.24Å; V85-I154 HydrophobicContact CG1-CD1 4.11Å; V85-I154 HydrophobicContact CG2-CD1 3.98Å; V85-I154 HydrophobicContact CG2-CG1 4.45Å; V147-I154 HydrophobicContact CB-CB 4.37Å; V147-I154 HydrophobicContact CG1-CD1 4.08Å; V147-I154 PolarHBondContact O-N 3.18Å; V149-I154 HydrophobicContact CG2-CD1 4.37Å; I152-I154 HydrophobicContact CG2-CG1 4.14Å
155	L	98.2	Very high	95.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	151.6	-173	-79.5	63.1	0	0	0	112.7	I68 T69 G71 I146 F153 F162 A165 L166 I169	I68-L155 HydrophobicContact CG2-CD1 4.2Å; I68-L155 HydrophobicContact CG2-CD2 4.14Å; I68-L155 HydrophobicContact CG2-CG 4.49Å; T69-L155 WeakPolarHBondContact O-CA 3.3Å; T69-L155 VanDerWaalsContact O-CB 3.25Å; T69-L155 WeakPolarHBondContact O-CB 3.47Å; T69-L155 PolarHBondContact O-N 2.89Å; G71-L155 PolarHBondContact N-O 2.86Å; I146-L155 HydrophobicContact CG2-CD1 3.87Å; I146-L155 HydrophobicContact CG2-CG 4.49Å; F153-L155 HydrophobicContact CB-CD1 3.72Å; L155-F162 HydrophobicContact CB-CD2 3.72Å; L155-F162 HydrophobicContact CB-CE2 3.83Å; L155-F162 HydrophobicContact CD2-CD2 3.87Å; L155-F162 HydrophobicContact CD2-CE2 3.68Å; L155-F162 HydrophobicContact CD2-CZ 4.25Å; L155-F162 HydrophobicContact CG-CD2 4.44Å; L155-F162 HydrophobicContact CG-CE2 4.41Å; L155-A165 HydrophobicContact CB-CB 4.33Å; L155-A165 HydrophobicContact CD2-CB 3.66Å; L155-A165 HydrophobicContact CG-CB 3.57Å; L155-L166 HydrophobicContact CD2-CD2 3.85Å; L155-L166 HydrophobicContact CD2-CG 4.23Å; L155-I169 HydrophobicContact CD1-CD1 4.21Å; L155-I169 HydrophobicContact CD1-CG2 4.33Å; L155-I169 HydrophobicContact CD2-CD1 4.15Å
156	P	96.4	Very high	95.3	Very high	15 Å²	15	34 Å²	34	10%	0.097	19%	0.19	C	C	.	.			trans	-66.6	149.8	176	25.1	-32.5	0	0	0	112.7	I73 L161 F162 A165	I73-P156 HydrophobicContact CD1-CB 3.86Å; I73-P156 HydrophobicContact CG1-CB 4.32Å; P156-L161 HydrophobicContact CB-CB 3.8Å; P156-L161 HydrophobicContact CB-CD1 4.25Å; P156-L161 HydrophobicContact CG-CB 3.39Å; P156-F162 WeakPolarHBondContact O-CB 3.4Å; P156-F162 WeakPolarHBondContact O-CD2 3.39Å; P156-A165 HydrophobicContact CG-CB 4.5Å
157	G	94.8	Very high	95.2	Very high	29 Å²	29	38.5 Å²	38.5	30%	0.299	21%	0.211	S	C	.	.	S	Bend	trans	-78.4	-24.6	177.5	0	0	0	0	0	114	N25 P159	N25-G157 PolarHBondContact ND2-O 3.35Å; G157-P159 WeakPolarHBondContact O-CD 3.36Å
158	V	92.8	Very high	94.9	Very high	80 Å²	80	39.6 Å²	39.6	49%	0.485	22%	0.217	S	C	.	.	S	Bend	trans	-66.2	122.2	178.8	-178.2	0	0	0	0	109.6	C160 L161 F162	V158-C160 VanDerWaalsContact C-N 3.34Å; V158-C160 PolarHBondContact O-N 2.83Å; V158-C160 VanDerWaalsContact O-N 3.17Å; V158-L161 HydrophobicContact CB-CB 4.31Å; V158-L161 HydrophobicContact CB-CD1 4.05Å; V158-L161 HydrophobicContact CB-CG 4.06Å; V158-L161 HydrophobicContact CG1-CG 4.28Å; V158-L161 HydrophobicContact CG2-CD1 4.38Å; V158-L161 WeakPolarHBondContact O-CA 3.43Å; V158-L161 WeakPolarHBondContact O-CB 3.42Å; V158-L161 PolarHBondContact O-N 2.75Å; V158-F162 PolarHBondContact O-N 2.97Å
159	P	89.2	Confident	94.8	Very high	56 Å²	56	37.5 Å²	37.5	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-57.1	-38.8	-168.6	-30	35.8	0	0	0	115.6	S24 N25 G157 L161 F162 N163	S24-P159 VanDerWaalsContact OG-CG 3.25Å; S24-P159 WeakPolarHBondContact OG-CG 3.35Å; N25-P159 WeakPolarHBondContact OD1-CA 3.2Å; G157-P159 WeakPolarHBondContact O-CD 3.36Å; P159-L161 VanDerWaalsContact C-N 3.34Å; P159-L161 PolarHBondContact O-N 2.59Å; P159-F162 PolarHBondContact O-N 3.24Å; P159-N163 PolarHBondContact O-N 3.41Å; P159-N163 PolarHBondContact O-ND2 2.87Å; P159-N163 PolarHBondContact O-OD1 3.31Å
160	C	88.2	Confident	94.6	Very high	74 Å²	74	40.3 Å²	40.3	50%	0.5	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-39	177.5	63.5	0	0	0	0	112.2	V158 M164	V158-C160 VanDerWaalsContact C-N 3.34Å; V158-C160 PolarHBondContact O-N 2.83Å; V158-C160 VanDerWaalsContact O-N 3.17Å; C160-M164 VanDerWaalsContact O-CE 3.28Å; C160-M164 WeakPolarHBondContact O-CE 3.32Å; C160-M164 PolarHBondContact O-N 3.32Å
161	L	91.8	Very high	94.3	Very high	81 Å²	81	40.2 Å²	40.2	42%	0.424	22%	0.224	S	C	.	.	H	α-helix	trans	-71.5	-39.2	176.5	-56.7	-175.4	0	0	0	111	P156 V158 P159 N163 M164 A165	P156-L161 HydrophobicContact CB-CB 3.8Å; P156-L161 HydrophobicContact CB-CD1 4.25Å; P156-L161 HydrophobicContact CG-CB 3.39Å; V158-L161 HydrophobicContact CB-CB 4.31Å; V158-L161 HydrophobicContact CB-CD1 4.05Å; V158-L161 HydrophobicContact CB-CG 4.06Å; V158-L161 HydrophobicContact CG1-CG 4.28Å; V158-L161 HydrophobicContact CG2-CD1 4.38Å; V158-L161 WeakPolarHBondContact O-CA 3.43Å; V158-L161 WeakPolarHBondContact O-CB 3.42Å; V158-L161 PolarHBondContact O-N 2.75Å; P159-L161 VanDerWaalsContact C-N 3.34Å; P159-L161 PolarHBondContact O-N 2.59Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 3.01Å; L161-M164 HydrophobicContact CD2-CE 3.61Å; L161-M164 PolarHBondContact O-N 3.28Å; L161-A165 WeakPolarHBondContact O-CB 3.15Å; L161-A165 PolarHBondContact O-N 3.03Å
162	F	95.6	Very high	94	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.2	-45.7	175.3	-173.3	-99.3	0	0	0	110.8	N25 L29 I68 L155 P156 V158 P159 A165 L166	N25-F162 HydrophobicContact CB-CD1 3.72Å; N25-F162 HydrophobicContact CB-CD2 4.18Å; N25-F162 HydrophobicContact CB-CE1 3.75Å; N25-F162 HydrophobicContact CB-CE2 4.25Å; N25-F162 HydrophobicContact CB-CG 3.94Å; N25-F162 HydrophobicContact CB-CZ 4.03Å; L29-F162 HydrophobicContact CB-CE1 4.42Å; L29-F162 HydrophobicContact CB-CZ 4.42Å; I68-F162 HydrophobicContact CG2-CE2 4.08Å; I68-F162 HydrophobicContact CG2-CZ 4.28Å; L155-F162 HydrophobicContact CB-CD2 3.72Å; L155-F162 HydrophobicContact CB-CE2 3.83Å; L155-F162 HydrophobicContact CD2-CD2 3.87Å; L155-F162 HydrophobicContact CD2-CE2 3.68Å; L155-F162 HydrophobicContact CD2-CZ 4.25Å; L155-F162 HydrophobicContact CG-CD2 4.44Å; L155-F162 HydrophobicContact CG-CE2 4.41Å; P156-F162 WeakPolarHBondContact O-CB 3.4Å; P156-F162 WeakPolarHBondContact O-CD2 3.39Å; V158-F162 PolarHBondContact O-N 2.97Å; P159-F162 PolarHBondContact O-N 3.24Å; F162-A165 WeakPolarHBondContact O-CB 3.48Å; F162-A165 PolarHBondContact O-N 3.12Å; F162-L166 HydrophobicContact CD1-CD1 3.95Å; F162-L166 HydrophobicContact CD1-CG 4.18Å; F162-L166 HydrophobicContact CE1-CD1 3.63Å; F162-L166 HydrophobicContact CE1-CD2 4.15Å; F162-L166 HydrophobicContact CE1-CG 3.94Å; F162-L166 HydrophobicContact CZ-CD1 4.46Å; F162-L166 HydrophobicContact CZ-CD2 4.18Å; F162-L166 HydrophobicContact CZ-CG 4.42Å; F162-L166 WeakPolarHBondContact O-CG 3.13Å; F162-L166 PolarHBondContact O-N 2.82Å
163	N	92.3	Very high	93.9	Very high	61 Å²	61	42.4 Å²	42.4	33%	0.326	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-43.6	178.1	-66.6	-7.7	0	0	0	112.7	Q28 P159 L161 A165 L166 E167	Q28-N163 WeakPolarHBondContact CG-OD1 3.42Å; P159-N163 PolarHBondContact O-N 3.41Å; P159-N163 PolarHBondContact O-ND2 2.87Å; P159-N163 PolarHBondContact O-OD1 3.31Å; L161-N163 VanDerWaalsContact C-N 3.32Å; L161-N163 PolarHBondContact O-N 3.01Å; N163-A165 VanDerWaalsContact C-N 3.27Å; N163-A165 PolarHBondContact O-N 3.2Å; N163-L166 PolarHBondContact O-N 3.29Å; N163-E167 PolarHBondContact O-N 3.35Å
164	M	91	Very high	93.7	Very high	110 Å²	110	47.6 Å²	47.6	54%	0.542	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-40.9	174.2	-76.1	-176	-92.2	0	0	111.3	C160 L161 E167 I168	C160-M164 VanDerWaalsContact O-CE 3.28Å; C160-M164 WeakPolarHBondContact O-CE 3.32Å; C160-M164 PolarHBondContact O-N 3.32Å; L161-M164 HydrophobicContact CD2-CE 3.61Å; L161-M164 PolarHBondContact O-N 3.28Å; M164-E167 PolarHBondContact O-N 3.12Å; M164-I168 WeakPolarHBondContact O-CG1 3.37Å; M164-I168 PolarHBondContact O-N 3.42Å
165	A	95	Very high	93.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-36.3	178.1	0	0	0	0	0	112.8	I146 L155 P156 L161 F162 N163 E167 I168 I169	I146-A165 HydrophobicContact CD1-CB 3.34Å; I146-A165 HydrophobicContact CG1-CB 3.84Å; L155-A165 HydrophobicContact CB-CB 4.33Å; L155-A165 HydrophobicContact CD2-CB 3.66Å; L155-A165 HydrophobicContact CG-CB 3.57Å; P156-A165 HydrophobicContact CG-CB 4.5Å; L161-A165 WeakPolarHBondContact O-CB 3.15Å; L161-A165 PolarHBondContact O-N 3.03Å; F162-A165 WeakPolarHBondContact O-CB 3.48Å; F162-A165 PolarHBondContact O-N 3.12Å; N163-A165 VanDerWaalsContact C-N 3.27Å; N163-A165 PolarHBondContact O-N 3.2Å; A165-E167 VanDerWaalsContact C-N 3.3Å; A165-E167 PolarHBondContact O-N 3.14Å; A165-I168 PolarHBondContact O-N 3.32Å; A165-I168 VanDerWaalsContact O-N 3.13Å; A165-I169 WeakPolarHBondContact O-CG2 3.35Å; A165-I169 PolarHBondContact O-N 2.87Å
166	L	95.7	Very high	93.2	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-40.6	172.7	-71.8	-180	0	0	0	112.1	Q28 L29 T32 F36 I68 L155 F162 N163 I168 I169 K170	Q28-L166 HydrophobicContact CG-CD1 3.89Å; L29-L166 HydrophobicContact CD1-CD2 3.8Å; T32-L166 HydrophobicContact CG2-CD1 4.32Å; F36-L166 HydrophobicContact CZ-CB 4.47Å; F36-L166 WeakPolarHBondContact CZ-O 3.14Å; I68-L166 HydrophobicContact CD1-CD2 4.33Å; L155-L166 HydrophobicContact CD2-CD2 3.85Å; L155-L166 HydrophobicContact CD2-CG 4.23Å; F162-L166 HydrophobicContact CD1-CD1 3.95Å; F162-L166 HydrophobicContact CD1-CG 4.18Å; F162-L166 HydrophobicContact CE1-CD1 3.63Å; F162-L166 HydrophobicContact CE1-CD2 4.15Å; F162-L166 HydrophobicContact CE1-CG 3.94Å; F162-L166 HydrophobicContact CZ-CD1 4.46Å; F162-L166 HydrophobicContact CZ-CD2 4.18Å; F162-L166 HydrophobicContact CZ-CG 4.42Å; F162-L166 WeakPolarHBondContact O-CG 3.13Å; F162-L166 PolarHBondContact O-N 2.82Å; N163-L166 PolarHBondContact O-N 3.29Å; L166-I168 VanDerWaalsContact C-N 3.34Å; L166-I169 HydrophobicContact CD2-CD1 4.04Å; L166-I169 WeakPolarHBondContact O-CG1 3.29Å; L166-I169 PolarHBondContact O-N 2.88Å; L166-K170 WeakPolarHBondContact O-CB 3.35Å; L166-K170 PolarHBondContact O-N 2.94Å
167	E	92.6	Very high	93.1	Very high	106 Å²	106	58.5 Å²	58.5	50%	0.495	32%	0.315	S	S	.	.	H	α-helix	trans	-67.4	-33.7	175.4	-68.7	-55	129.2	0	0	112.5	N163 M164 A165 K170	N163-E167 PolarHBondContact O-N 3.35Å; M164-E167 PolarHBondContact O-N 3.12Å; A165-E167 VanDerWaalsContact C-N 3.3Å; A165-E167 PolarHBondContact O-N 3.14Å; E167-K170 WeakPolarHBondContact O-CB 3.43Å; E167-K170 WeakPolarHBondContact OE2-CD 3.43Å; E167-K170 IonicContact OE2-NZ 3.85Å; E167-K170 PolarHBondContact OE2-NZ 2.83Å; E167-K170 VanDerWaalsContact OE2-NZ 3.08Å
168	I	92.9	Very high	93.1	Very high	23 Å²	23	57.5 Å²	57.5	12%	0.118	30%	0.304	C	S	.	.	H	α-helix	trans	-67.5	-45.2	175.6	-64.6	171.2	0	0	0	111.2	L131 A133 I146 M164 A165 L166 K170 H172	L131-I168 HydrophobicContact CB-CG2 4.02Å; A133-I168 HydrophobicContact CB-CD1 4.19Å; A133-I168 HydrophobicContact CB-CG1 3.96Å; I146-I168 HydrophobicContact CB-CG2 4.45Å; I146-I168 HydrophobicContact CD1-CD1 4.49Å; I146-I168 HydrophobicContact CG1-CB 4.15Å; I146-I168 HydrophobicContact CG1-CD1 3.95Å; I146-I168 HydrophobicContact CG1-CG2 4.02Å; M164-I168 WeakPolarHBondContact O-CG1 3.37Å; M164-I168 PolarHBondContact O-N 3.42Å; A165-I168 PolarHBondContact O-N 3.32Å; A165-I168 VanDerWaalsContact O-N 3.13Å; L166-I168 VanDerWaalsContact C-N 3.34Å; I168-K170 VanDerWaalsContact C-N 3.3Å; I168-K170 PolarHBondContact O-N 3.26Å; I168-H172 PolarHBondContact O-ND1 3.16Å
169	I	95.2	Very high	93.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-79.7	-15.1	-176.6	71.3	172.9	0	0	0	112.9	I68 L131 I146 F153 L155 A165 L166 D171 H172 I173	I68-I169 HydrophobicContact CD1-CD1 3.58Å; I68-I169 HydrophobicContact CG1-CD1 4.08Å; L131-I169 HydrophobicContact CD1-CG2 4.3Å; I146-I169 HydrophobicContact CB-CG2 4.39Å; I146-I169 HydrophobicContact CG2-CG2 3.85Å; F153-I169 HydrophobicContact CB-CD1 4.4Å; F153-I169 HydrophobicContact CB-CG2 4.42Å; F153-I169 HydrophobicContact CD1-CB 3.79Å; F153-I169 HydrophobicContact CD1-CD1 4.49Å; F153-I169 HydrophobicContact CD1-CG2 3.49Å; F153-I169 VanDerWaalsContact CD1-CG2 3.49Å; F153-I169 HydrophobicContact CE1-CB 4Å; F153-I169 HydrophobicContact CE1-CG2 4.11Å; F153-I169 HydrophobicContact CG-CD1 4.44Å; F153-I169 HydrophobicContact CG-CG2 4.29Å; L155-I169 HydrophobicContact CD1-CD1 4.21Å; L155-I169 HydrophobicContact CD1-CG2 4.33Å; L155-I169 HydrophobicContact CD2-CD1 4.15Å; A165-I169 WeakPolarHBondContact O-CG2 3.35Å; A165-I169 PolarHBondContact O-N 2.87Å; L166-I169 HydrophobicContact CD2-CD1 4.04Å; L166-I169 WeakPolarHBondContact O-CG1 3.29Å; L166-I169 PolarHBondContact O-N 2.88Å; I169-D171 VanDerWaalsContact C-N 3.3Å; I169-D171 PolarHBondContact O-N 3.01Å; I169-H172 WeakPolarHBondContact O-CA 3.19Å; I169-H172 WeakPolarHBondContact O-CB 3.46Å; I169-H172 PolarHBondContact O-N 3.48Å; I169-I173 HydrophobicContact CD1-CD1 3.78Å; I169-I173 HydrophobicContact CG1-CD1 3.94Å; I169-I173 PolarHBondContact O-N 2.86Å
170	K	93.8	Very high	93.5	Very high	61 Å²	61	58.5 Å²	58.5	27%	0.265	30%	0.299	S	S	.	.	H	α-helix	trans	-44.7	-53.3	-178.1	176.6	175.5	-178.6	179.8	0	112.2	F36 L166 E167 I168 H172 I173 R174	F36-K170 HydrophobicContact CD1-CD 4.46Å; F36-K170 HydrophobicContact CD1-CG 3.9Å; F36-K170 HydrophobicContact CE1-CB 3.87Å; F36-K170 HydrophobicContact CE1-CD 3.73Å; F36-K170 HydrophobicContact CE1-CG 3.48Å; F36-K170 VanDerWaalsContact CE1-CG 3.48Å; F36-K170 HydrophobicContact CE2-CB 4.41Å; F36-K170 HydrophobicContact CZ-CB 3.76Å; F36-K170 HydrophobicContact CZ-CD 4.29Å; F36-K170 HydrophobicContact CZ-CG 3.93Å; L166-K170 WeakPolarHBondContact O-CB 3.35Å; L166-K170 PolarHBondContact O-N 2.94Å; E167-K170 WeakPolarHBondContact O-CB 3.43Å; E167-K170 WeakPolarHBondContact OE2-CD 3.43Å; E167-K170 IonicContact OE2-NZ 3.85Å; E167-K170 PolarHBondContact OE2-NZ 2.83Å; E167-K170 VanDerWaalsContact OE2-NZ 3.08Å; I168-K170 VanDerWaalsContact C-N 3.3Å; I168-K170 PolarHBondContact O-N 3.26Å; K170-H172 PolarHBondContact O-N 3.32Å; K170-H172 VanDerWaalsContact O-N 3.16Å; K170-I173 PolarHBondContact O-N 3.22Å; K170-R174 WeakPolarHBondContact O-CA 3.22Å; K170-R174 WeakPolarHBondContact O-CB 3.48Å; K170-R174 PolarHBondContact O-N 3.39Å
171	D	90.2	Very high	93.9	Very high	112 Å²	112	57.3 Å²	57.3	60%	0.599	29%	0.286	S	S	*	.	H	α-helix	trans	-69.2	-14.3	-176.9	-65.3	-22.9	0	0	0	113.7	I169	I169-D171 VanDerWaalsContact C-N 3.3Å; I169-D171 PolarHBondContact O-N 3.01Å
172	H	93.5	Very high	94.1	Very high	78 Å²	78	57.5 Å²	57.5	36%	0.361	28%	0.284	S	S	.	.	H	α-helix	trans	-92	-22	178.8	-59.1	82.1	0	0	0	113.2	F153 I168 I169 K170	F153-H172 HydrophobicContact CE1-CB 3.78Å; F153-H172 HydrophobicContact CZ-CB 3.93Å; I168-H172 PolarHBondContact O-ND1 3.16Å; I169-H172 WeakPolarHBondContact O-CA 3.19Å; I169-H172 WeakPolarHBondContact O-CB 3.46Å; I169-H172 PolarHBondContact O-N 3.48Å; K170-H172 PolarHBondContact O-N 3.32Å; K170-H172 VanDerWaalsContact O-N 3.16Å
173	I	95.2	Very high	94.2	Very high	1 Å²	1	63 Å²	63	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-116.2	-18	-177.8	65.4	-179	0	0	0	113.6	F36 V38 Y66 I68 F153 I169 K170 D175	F36-I173 HydrophobicContact CD2-CD1 3.41Å; F36-I173 VanDerWaalsContact CD2-CD1 3.41Å; F36-I173 HydrophobicContact CD2-CG1 3.81Å; F36-I173 HydrophobicContact CE2-CD1 3.78Å; F36-I173 HydrophobicContact CE2-CG1 4.35Å; F36-I173 HydrophobicContact CG-CD1 4.44Å; F36-I173 HydrophobicContact CG-CG1 4.44Å; V38-I173 VanDerWaalsContact CG1-O 3.32Å; V38-I173 WeakPolarHBondContact CG1-O 3.48Å; Y66-I173 HydrophobicContact CD1-CG2 3.87Å; Y66-I173 HydrophobicContact CD2-CB 4.17Å; Y66-I173 HydrophobicContact CD2-CG2 4.23Å; Y66-I173 HydrophobicContact CE1-CB 4.47Å; Y66-I173 HydrophobicContact CE1-CG2 3.95Å; Y66-I173 HydrophobicContact CE2-CB 4.04Å; Y66-I173 HydrophobicContact CE2-CG2 4.32Å; Y66-I173 HydrophobicContact CG-CB 4.44Å; Y66-I173 HydrophobicContact CG-CG2 4Å; I68-I173 HydrophobicContact CD1-CD1 4.42Å; F153-I173 HydrophobicContact CD2-CG2 4.17Å; F153-I173 HydrophobicContact CE1-CG2 4.09Å; F153-I173 HydrophobicContact CE2-CG2 3.39Å; F153-I173 HydrophobicContact CZ-CG2 3.33Å; I169-I173 HydrophobicContact CD1-CD1 3.78Å; I169-I173 HydrophobicContact CG1-CD1 3.94Å; I169-I173 PolarHBondContact O-N 2.86Å; K170-I173 PolarHBondContact O-N 3.22Å; I173-D175 PolarHBondContact O-N 3.45Å
174	R	94.2	Very high	94.5	Very high	109 Å²	109	61.1 Å²	61.1	41%	0.411	30%	0.296	S	S	.	.			trans	-64.9	129.4	-174.6	179.7	-179	-174.8	85.2	5.6	111.5	L35 F36 K170	L35-R174 PolarHBondContact O-NH1 2.98Å; F36-R174 CarbonylContact O-C 3.51Å; F36-R174 WeakPolarHBondContact O-CA 3.01Å; K170-R174 WeakPolarHBondContact O-CA 3.22Å; K170-R174 WeakPolarHBondContact O-CB 3.48Å; K170-R174 PolarHBondContact O-N 3.39Å
175	D	95.3	Very high	94.8	Very high	33 Å²	33	56 Å²	56	18%	0.176	27%	0.272	C	S	.	.			trans	-108.6	103	164.7	-168.7	-19	0	0	0	109.5	F36 I173 N177 V178	F36-D175 PolarHBondContact O-N 2.97Å; I173-D175 PolarHBondContact O-N 3.45Å; D175-N177 PolarHBondContact O-N 3.42Å; D175-N177 WeakPolarHBondContact OD1-CB 3.42Å; D175-N177 PolarHBondContact OD1-N 3.29Å; D175-N177 PolarHBondContact OD1-ND2 3.26Å; D175-V178 HydrophobicContact CB-CB 4.38Å; D175-V178 HydrophobicContact CB-CG2 4.11Å; D175-V178 PolarHBondContact O-N 3.48Å
176	P	92	Very high	94.9	Very high	88 Å²	88	57.2 Å²	57.2	57%	0.571	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.4	-178.8	29.8	-35.3	0	0	0	113.4	V178	P176-V178 VanDerWaalsContact C-N 3.32Å
177	N	93.9	Very high	95	Very high	123 Å²	123	57.1 Å²	57.1	66%	0.658	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.2	178.6	-53	-67.8	0	0	0	112.7	D175	D175-N177 PolarHBondContact O-N 3.42Å; D175-N177 WeakPolarHBondContact OD1-CB 3.42Å; D175-N177 PolarHBondContact OD1-N 3.29Å; D175-N177 PolarHBondContact OD1-ND2 3.26Å
178	V	95.5	Very high	95.2	Very high	9 Å²	9	55.3 Å²	55.3	6%	0.055	27%	0.272	C	S	.	.			trans	-105.1	113.7	177.1	177.7	0	0	0	0	108.8	V2 P4 G37 D175 P176 F180 L231	V2-V178 HydrophobicContact CB-CG2 4.5Å; V2-V178 HydrophobicContact CG1-CG2 3.52Å; P4-V178 HydrophobicContact CB-CG1 3.85Å; P4-V178 HydrophobicContact CB-CG2 4.5Å; G37-V178 WeakPolarHBondContact CA-O 3.18Å; G37-V178 WeakPolarHBondContact O-CB 3.32Å; G37-V178 WeakPolarHBondContact O-CG1 3.45Å; D175-V178 HydrophobicContact CB-CB 4.38Å; D175-V178 HydrophobicContact CB-CG2 4.11Å; D175-V178 PolarHBondContact O-N 3.48Å; P176-V178 VanDerWaalsContact C-N 3.32Å; V178-F180 HydrophobicContact CG1-CD2 4.04Å; V178-F180 HydrophobicContact CG1-CE2 3.55Å; V178-F180 HydrophobicContact CG1-CZ 4.12Å; V178-L231 HydrophobicContact CG1-CD2 3.93Å
179	I	95.3	Very high	95.4	Very high	100 Å²	100	54.5 Å²	54.5	51%	0.513	27%	0.268	S	S	.	.			trans	-115.9	125.4	174.2	-58	175	0	0	0	108	F181 L231	I179-F181 HydrophobicContact CB-CE2 4Å; I179-F181 HydrophobicContact CB-CZ 3.94Å; I179-F181 HydrophobicContact CG2-CD1 4.23Å; I179-F181 HydrophobicContact CG2-CD2 4.38Å; I179-F181 HydrophobicContact CG2-CE1 3.78Å; I179-F181 HydrophobicContact CG2-CE2 3.94Å; I179-F181 HydrophobicContact CG2-CZ 3.62Å; I179-L231 WeakPolarHBondContact O-CD2 3.28Å
180	F	95.3	Very high	95.3	Very high	57 Å²	57	59 Å²	59	25%	0.25	29%	0.29	C	S	.	.			trans	-90.3	115.1	171.7	-69.8	-95.5	0	0	0	108.9	P4 P34 R39 V178 L231	P4-F180 HydrophobicContact CB-CE2 4.35Å; P4-F180 HydrophobicContact CB-CZ 3.77Å; P4-F180 HydrophobicContact CG-CZ 4.01Å; P34-F180 HydrophobicContact CB-CB 4.06Å; P34-F180 HydrophobicContact CB-CD2 3.9Å; P34-F180 HydrophobicContact CB-CG 3.97Å; P34-F180 WeakPolarHBondContact O-CD2 3.46Å; R39-F180 HydrophobicContact CB-CZ 4.13Å; V178-F180 HydrophobicContact CG1-CD2 4.04Å; V178-F180 HydrophobicContact CG1-CE2 3.55Å; V178-F180 HydrophobicContact CG1-CZ 4.12Å; F180-L231 HydrophobicContact CD1-CD2 3.85Å; F180-L231 HydrophobicContact CD2-CD2 4.45Å; F180-L231 HydrophobicContact CE1-CD2 3.89Å; F180-L231 HydrophobicContact CE2-CD2 4.49Å; F180-L231 HydrophobicContact CG-CD2 4.15Å; F180-L231 HydrophobicContact CZ-CD2 4.22Å
181	F	96.4	Very high	95.4	Very high	49 Å²	49	59.7 Å²	59.7	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.8	176.1	-60.9	-81.9	0	0	0	109.8	I179 D229 S230 E233 L236	I179-F181 HydrophobicContact CB-CE2 4Å; I179-F181 HydrophobicContact CB-CZ 3.94Å; I179-F181 HydrophobicContact CG2-CD1 4.23Å; I179-F181 HydrophobicContact CG2-CD2 4.38Å; I179-F181 HydrophobicContact CG2-CE1 3.78Å; I179-F181 HydrophobicContact CG2-CE2 3.94Å; I179-F181 HydrophobicContact CG2-CZ 3.62Å; F181-D229 WeakPolarHBondContact O-CA 3.41Å; F181-S230 PolarHBondContact N-O 3.47Å; F181-S230 PolarHBondContact O-N 2.9Å; F181-E233 HydrophobicContact CD1-CB 3.88Å; F181-E233 HydrophobicContact CD1-CG 3.61Å; F181-E233 HydrophobicContact CD2-CB 4Å; F181-E233 HydrophobicContact CE1-CB 3.72Å; F181-E233 HydrophobicContact CE1-CG 3.64Å; F181-E233 WeakPolarHBondContact CE1-OE2 3.4Å; F181-E233 HydrophobicContact CE2-CB 3.86Å; F181-E233 HydrophobicContact CG-CB 4Å; F181-E233 HydrophobicContact CG-CG 4.1Å; F181-E233 HydrophobicContact CZ-CB 3.72Å; F181-E233 HydrophobicContact CZ-CG 4.18Å; F181-L236 HydrophobicContact CB-CD1 3.86Å; F181-L236 VanDerWaalsContact O-CD1 3.29Å; F181-L236 WeakPolarHBondContact O-CD1 3.36Å
182	H	96	Very high	95.6	Very high	84 Å²	84	60.1 Å²	60.1	39%	0.389	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.9	178.6	-178.2	78.1	0	0	0	111.3	S184 F228 D229	H182-S184 PolarHBondContact CE1-OG 3.29Å; H182-S184 PolarHBondContact NE2-OG 2.89Å; H182-F228 VanDerWaalsContact CA-O 3.32Å; H182-F228 WeakPolarHBondContact CA-O 3.45Å; H182-D229 IonicContact CE1-OD1 2.73Å; H182-D229 IonicContact CG-OD1 2.71Å; H182-D229 IonicContact ND1-OD1 3.31Å; H182-D229 PolarHBondContact ND1-OD1 3.5Å; H182-D229 IonicContact ND1-OD2 2.75Å
183	R	97.2	Very high	95.7	Very high	117 Å²	117	61.7 Å²	61.7	44%	0.442	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.6	164.1	-70.9	-71.2	-176.9	-96.6	3.1	109.6	F228 L236 Y240	R183-F228 HydrophobicContact CB-CB 4.38Å; R183-F228 PolarHBondContact N-O 3.27Å; R183-F228 PolarHBondContact O-N 2.81Å; R183-L236 HydrophobicContact CB-CD2 3.93Å; R183-L236 HydrophobicContact CG-CD2 3.38Å; R183-Y240 HydrophobicContact CB-CD2 3.6Å; R183-Y240 HydrophobicContact CB-CE2 3.91Å; R183-Y240 HydrophobicContact CB-CG 4.32Å; R183-Y240 HydrophobicContact CG-CD2 4.26Å
184	S	97.8	Very high	95.7	Very high	20 Å²	20	61.7 Å²	61.7	14%	0.14	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.3	173	-78.2	0	0	0	0	110.5	H182 R225 I226 Y240	H182-S184 PolarHBondContact CE1-OG 3.29Å; H182-S184 PolarHBondContact NE2-OG 2.89Å; S184-R225 PolarHBondContact OG-NH1 2.98Å; S184-I226 CarbonylContact C-O 3.55Å; S184-I226 WeakPolarHBondContact CA-O 3.37Å; S184-Y240 WeakPolarHBondContact O-CE2 3.49Å; S184-Y240 PolarHBondContact O-OH 3.41Å
185	L	97.6	Very high	95.8	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.6	171.7	-169.8	67.5	0	0	0	108.6	L187 R225 I226 F228 Y240 A243 E244 F247 I251	L185-L187 HydrophobicContact CD2-CD2 3.89Å; L185-L187 HydrophobicContact CG-CD2 3.96Å; L185-R225 CarbonylContact O-C 3.56Å; L185-R225 WeakPolarHBondContact O-CA 3.44Å; L185-I226 HydrophobicContact CB-CB 4.4Å; L185-I226 PolarHBondContact N-O 3.1Å; L185-I226 PolarHBondContact O-N 2.9Å; L185-F228 HydrophobicContact CB-CE2 4.12Å; L185-Y240 HydrophobicContact CB-CE2 4.11Å; L185-Y240 HydrophobicContact CD1-CE2 4.34Å; L185-A243 HydrophobicContact CD2-CB 4.1Å; L185-E244 HydrophobicContact CD1-CG 4.26Å; L185-F247 HydrophobicContact CD2-CD2 4.25Å; L185-I251 HydrophobicContact CD1-CD1 3.95Å; L185-I251 HydrophobicContact CD1-CG1 3.89Å; L185-I251 HydrophobicContact CD1-CG2 3.93Å; L185-I251 HydrophobicContact CD2-CD1 4.11Å; L185-I251 HydrophobicContact CD2-CG1 4.05Å; L185-I251 HydrophobicContact CG-CD1 4.47Å; L185-I251 HydrophobicContact CG-CG1 4.13Å
186	Y	98.2	Very high	95.9	Very high	25 Å²	25	64.6 Å²	64.6	10%	0.098	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.6	-176.3	-59.4	-88.7	0	0	0	109.5	Y222 R225 I251 I252 Y254 P256	Y186-Y222 AromaticContact CD1-CD1 3.62Å; Y186-Y222 HydrophobicContact CD1-CD1 3.62Å; Y186-Y222 AromaticContact CD1-CD2 3.94Å; Y186-Y222 HydrophobicContact CD1-CD2 3.94Å; Y186-Y222 AromaticContact CD1-CE1 3.57Å; Y186-Y222 HydrophobicContact CD1-CE1 3.57Å; Y186-Y222 AromaticContact CD1-CE2 3.91Å; Y186-Y222 HydrophobicContact CD1-CE2 3.91Å; Y186-Y222 AromaticContact CD1-CG 3.81Å; Y186-Y222 HydrophobicContact CD1-CG 3.81Å; Y186-Y222 AromaticContact CD1-CZ 3.73Å; Y186-Y222 HydrophobicContact CE1-CD1 4.36Å; Y186-Y222 AromaticContact CE1-CE1 3.88Å; Y186-Y222 HydrophobicContact CE1-CE1 3.88Å; Y186-Y222 HydrophobicContact CE1-CE2 4.42Å; Y186-Y222 AromaticContact CE1-CZ 3.91Å; Y186-Y222 HydrophobicContact CG-CD1 4.36Å; Y186-Y222 HydrophobicContact CG-CG 4.42Å; Y186-R225 HydrophobicContact CD1-CB 4Å; Y186-R225 HydrophobicContact CD1-CG 3.91Å; Y186-R225 HydrophobicContact CE1-CB 4.02Å; Y186-R225 VanDerWaalsContact CE1-CD 3.45Å; Y186-R225 HydrophobicContact CE1-CG 3.55Å; Y186-I251 WeakPolarHBondContact O-CA 3.41Å; Y186-I252 PolarHBondContact O-N 3.13Å; Y186-Y254 AromaticContact CD1-CD1 3.55Å; Y186-Y254 HydrophobicContact CD1-CD1 3.55Å; Y186-Y254 HydrophobicContact CD1-CE1 4.23Å; Y186-Y254 HydrophobicContact CD1-CG 4.22Å; Y186-Y254 HydrophobicContact CD2-CD1 4.03Å; Y186-Y254 HydrophobicContact CD2-CG 4.41Å; Y186-Y254 AromaticContact CE1-CD1 3.43Å; Y186-Y254 HydrophobicContact CE1-CD1 3.43Å; Y186-Y254 VanDerWaalsContact CE1-CD1 3.43Å; Y186-Y254 AromaticContact CE1-CE1 3.87Å; Y186-Y254 HydrophobicContact CE1-CE1 3.87Å; Y186-Y254 HydrophobicContact CE1-CG 4.49Å; Y186-Y254 AromaticContact CE2-CD1 3.96Å; Y186-Y254 HydrophobicContact CE2-CD1 3.96Å; Y186-Y254 AromaticContact CG-CD1 3.85Å; Y186-Y254 HydrophobicContact CG-CD1 3.85Å; Y186-Y254 HydrophobicContact CG-CG 4.18Å; Y186-Y254 AromaticContact CZ-CD1 3.67Å; Y186-P256 WeakPolarHBondContact OH-CB 3.46Å; Y186-P256 VanDerWaalsContact OH-CG 3.31Å; Y186-P256 WeakPolarHBondContact OH-CG 3.25Å
187	L	97.9	Very high	96.2	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.7	-171.9	-53.7	179.8	0	0	0	110.9	L185 T189 I194 Y222 R223 V224 I226 F247 Y250 I251	L185-L187 HydrophobicContact CD2-CD2 3.89Å; L185-L187 HydrophobicContact CG-CD2 3.96Å; L187-T189 HydrophobicContact CB-CG2 4.2Å; L187-I194 HydrophobicContact CD1-CD1 3.49Å; L187-I194 VanDerWaalsContact CD1-CD1 3.49Å; L187-Y222 WeakPolarHBondContact O-CB 3.35Å; L187-R223 PolarHBondContact O-N 3.21Å; L187-V224 PolarHBondContact N-O 2.96Å; L187-V224 PolarHBondContact O-N 2.82Å; L187-V224 VanDerWaalsContact O-N 3.1Å; L187-I226 HydrophobicContact CD1-CG1 3.87Å; L187-I226 HydrophobicContact CG-CG1 4.49Å; L187-F247 HydrophobicContact CD1-CB 4.03Å; L187-F247 HydrophobicContact CD1-CD1 4.43Å; L187-F247 HydrophobicContact CD1-CD2 4.09Å; L187-F247 HydrophobicContact CD1-CG 3.92Å; L187-F247 HydrophobicContact CD2-CB 3.72Å; L187-F247 HydrophobicContact CD2-CG 4.47Å; L187-Y250 CarbonylContact C-O 3.21Å; L187-Y250 WeakPolarHBondContact CA-O 3.31Å; L187-I251 HydrophobicContact CD2-CB 4.46Å; L187-I251 HydrophobicContact CD2-CG1 3.68Å
188	T	96.4	Very high	96.3	Very high	68 Å²	68	58.2 Å²	58.2	42%	0.417	29%	0.291	S	S	.	.	S	Bend	trans	-83.5	-12.3	179.7	53.2	0	0	0	0	113.9	R223 Y250 I252	T188-R223 WeakPolarHBondContact O-CG 3.48Å; T188-Y250 PolarHBondContact N-O 3.15Å; T188-Y250 PolarHBondContact OG1-O 2.85Å; T188-I252 HydrophobicContact CG2-CB 3.95Å; T188-I252 HydrophobicContact CG2-CD1 4.3Å; T188-I252 HydrophobicContact CG2-CG2 4.04Å
189	T	95.9	Very high	96.4	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.043	31%	0.314	C	S	.	.	S	Bend	trans	-89.6	161.8	-179.2	-177.3	0	0	0	0	112.9	L187 E193 I194 R223 V224 Y250	L187-T189 HydrophobicContact CB-CG2 4.2Å; T189-E193 VanDerWaalsContact OG1-CB 3.3Å; T189-E193 WeakPolarHBondContact OG1-CB 3.34Å; T189-E193 PolarHBondContact OG1-OE1 3.33Å; T189-E193 VanDerWaalsContact OG1-OE1 3.08Å; T189-E193 PolarHBondContact OG1-OE2 3.38Å; T189-I194 HydrophobicContact CG2-CG2 3.51Å; T189-R223 VanDerWaalsContact O-CB 3.3Å; T189-R223 WeakPolarHBondContact O-CB 3.32Å; T189-V224 WeakPolarHBondContact O-CG2 3.44Å; T189-Y250 HydrophobicContact CG2-CD1 3.78Å; T189-Y250 HydrophobicContact CG2-CD2 3.8Å; T189-Y250 HydrophobicContact CG2-CE1 4.29Å; T189-Y250 HydrophobicContact CG2-CE2 4.32Å; T189-Y250 HydrophobicContact CG2-CG 3.49Å; T189-Y250 VanDerWaalsContact CG2-CG 3.49Å
190	M	94.4	Very high	96.5	Very high	93 Å²	93	64.1 Å²	64.1	46%	0.458	32%	0.318	S	S	.	.			trans	-74.8	151.7	176.7	-60.5	-62.5	158.9	0	0	111.9	T192 E193 R223	M190-T192 PolarHBondContact O-N 3.3Å; M190-E193 HydrophobicContact CB-CG 4.44Å; M190-E193 WeakPolarHBondContact CB-OE1 3.34Å; M190-E193 PolarHBondContact N-OE1 3.18Å; M190-E193 WeakPolarHBondContact O-CB 3.43Å; M190-E193 PolarHBondContact O-N 3Å; M190-R223 HydrophobicContact CE-CG 3.92Å; M190-R223 HydrophobicContact SD-CB 4.36Å; M190-R223 HydrophobicContact SD-CG 4.39Å
191	E	94.5	Very high	96.7	Very high	76 Å²	76	61.7 Å²	61.7	36%	0.355	31%	0.307	S	S	.	.	H	α-helix	trans	-56.7	-36.9	-179.8	-179.7	173.2	-133.5	0	0	112.7	E193 I194 A195 S213 P215 V224	E191-E193 PolarHBondContact O-N 3.45Å; E191-I194 WeakPolarHBondContact O-CG1 3.47Å; E191-I194 PolarHBondContact O-N 3.04Å; E191-A195 WeakPolarHBondContact O-CB 3.43Å; E191-A195 PolarHBondContact O-N 2.88Å; E191-S213 WeakPolarHBondContact OE1-CB 3.35Å; E191-S213 PolarHBondContact OE1-OG 3.45Å; E191-P215 HydrophobicContact CB-CG 4.19Å; E191-P215 HydrophobicContact CG-CG 4.5Å; E191-P215 WeakPolarHBondContact OE2-CG 3.25Å; E191-V224 HydrophobicContact CB-CG2 3.86Å
192	T	95.3	Very high	96.7	Very high	122 Å²	122	61 Å²	61	75%	0.748	31%	0.311	S	S	*	.	H	α-helix	trans	-62.6	-28.1	179.5	48.5	0	0	0	0	113.7	M190	M190-T192 PolarHBondContact O-N 3.3Å
193	E	95.3	Very high	96.8	Very high	110 Å²	110	63.7 Å²	63.7	51%	0.514	32%	0.324	S	S	.	.	H	α-helix	trans	-75.5	-32.2	-179.1	-64.9	174.4	-117.3	0	0	111.3	T189 M190 E191	T189-E193 VanDerWaalsContact OG1-CB 3.3Å; T189-E193 WeakPolarHBondContact OG1-CB 3.34Å; T189-E193 PolarHBondContact OG1-OE1 3.33Å; T189-E193 VanDerWaalsContact OG1-OE1 3.08Å; T189-E193 PolarHBondContact OG1-OE2 3.38Å; M190-E193 HydrophobicContact CB-CG 4.44Å; M190-E193 WeakPolarHBondContact CB-OE1 3.34Å; M190-E193 PolarHBondContact N-OE1 3.18Å; M190-E193 WeakPolarHBondContact O-CB 3.43Å; M190-E193 PolarHBondContact O-N 3Å; E191-E193 PolarHBondContact O-N 3.45Å
194	I	95.9	Very high	96.8	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-102.5	-9.9	-176.7	62.2	174	0	0	0	114.1	L187 T189 E191 K196 D197 L198 V224 I226 F247 Y250	L187-I194 HydrophobicContact CD1-CD1 3.49Å; L187-I194 VanDerWaalsContact CD1-CD1 3.49Å; T189-I194 HydrophobicContact CG2-CG2 3.51Å; E191-I194 WeakPolarHBondContact O-CG1 3.47Å; E191-I194 PolarHBondContact O-N 3.04Å; I194-K196 VanDerWaalsContact C-N 3.28Å; I194-K196 PolarHBondContact O-N 3.48Å; I194-K196 VanDerWaalsContact O-N 3.13Å; I194-D197 PolarHBondContact O-N 3.48Å; I194-D197 VanDerWaalsContact O-N 3.14Å; I194-L198 WeakPolarHBondContact O-CB 3.49Å; I194-L198 PolarHBondContact O-N 3.44Å; I194-V224 HydrophobicContact CD1-CB 4.4Å; I194-V224 HydrophobicContact CD1-CG1 4.13Å; I194-I226 HydrophobicContact CD1-CD1 3.97Å; I194-F247 HydrophobicContact CB-CD1 4.17Å; I194-F247 HydrophobicContact CB-CE1 3.68Å; I194-F247 HydrophobicContact CB-CZ 4.33Å; I194-F247 HydrophobicContact CG2-CD1 3.77Å; I194-F247 HydrophobicContact CG2-CE1 3.81Å; I194-Y250 HydrophobicContact CG2-CD2 4.37Å; I194-Y250 HydrophobicContact CG2-CE2 4.45Å
195	A	96.6	Very high	96.9	Very high	40 Å²	40	64.8 Å²	64.8	33%	0.331	33%	0.329	S	S	.	.	H	α-helix	trans	-53.7	-39.8	-169.8	0	0	0	0	0	114.1	E191 S199	E191-A195 WeakPolarHBondContact O-CB 3.43Å; E191-A195 PolarHBondContact O-N 2.88Å; A195-S199 WeakPolarHBondContact O-CB 3.49Å; A195-S199 PolarHBondContact O-N 3.32Å; A195-S199 PolarHBondContact O-OG 2.97Å
196	K	97	Very high	96.8	Very high	163 Å²	163	71.9 Å²	71.9	71%	0.709	36%	0.362	S	S	*	.	H	α-helix	trans	-66.9	-47.6	180	-70.6	-179.5	-178.1	173.2	0	111.9	I194 S199 R200	I194-K196 VanDerWaalsContact C-N 3.28Å; I194-K196 PolarHBondContact O-N 3.48Å; I194-K196 VanDerWaalsContact O-N 3.13Å; K196-S199 PolarHBondContact O-N 3.02Å; K196-R200 WeakPolarHBondContact O-CG 3.3Å; K196-R200 PolarHBondContact O-N 3.17Å; K196-R200 VanDerWaalsContact O-N 3.16Å
197	D	97.5	Very high	96.6	Very high	59 Å²	59	74.6 Å²	74.6	32%	0.316	40%	0.397	S	S	.	.	H	α-helix	trans	-71.3	-35.7	-178.9	-66	-40.8	0	0	0	111.3	I194 S199 R200 L201 L246 F247	I194-D197 PolarHBondContact O-N 3.48Å; I194-D197 VanDerWaalsContact O-N 3.14Å; D197-S199 PolarHBondContact O-N 3.3Å; D197-R200 PolarHBondContact O-N 3.13Å; D197-R200 IonicContact OD1-CZ 3.8Å; D197-R200 IonicContact OD1-NH1 2.76Å; D197-R200 PolarHBondContact OD1-NH1 3.25Å; D197-L201 WeakPolarHBondContact O-CB 3.3Å; D197-L201 PolarHBondContact O-N 2.9Å; D197-L246 HydrophobicContact CB-CD2 4.26Å; D197-F247 HydrophobicContact CB-CE1 4.01Å; D197-F247 HydrophobicContact CB-CZ 4.34Å
198	L	96.9	Very high	96.4	Very high	18 Å²	18	76.8 Å²	76.8	9%	0.094	41%	0.41	C	S	.	.	H	α-helix	trans	-63	-41	172.2	-171.1	68.1	0	0	0	112.1	I194 L201 A202 I211 I226 F247	I194-L198 WeakPolarHBondContact O-CB 3.49Å; I194-L198 PolarHBondContact O-N 3.44Å; L198-L201 PolarHBondContact O-N 3.46Å; L198-A202 WeakPolarHBondContact O-CB 3.43Å; L198-A202 PolarHBondContact O-N 2.98Å; L198-I211 HydrophobicContact CD1-CG2 3.74Å; L198-I226 HydrophobicContact CD1-CD1 4.02Å; L198-I226 HydrophobicContact CD1-CG1 4.45Å; L198-I226 HydrophobicContact CD1-CG2 3.87Å; L198-I226 HydrophobicContact CD2-CD1 3.79Å; L198-F247 HydrophobicContact CB-CZ 4.23Å; L198-F247 HydrophobicContact CD1-CE2 4.25Å; L198-F247 HydrophobicContact CD1-CZ 4.3Å
199	S	97.4	Very high	96.5	Very high	77 Å²	77	73.9 Å²	73.9	54%	0.538	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-43.6	177.2	-60.7	0	0	0	0	111.6	A195 K196 D197 L201 A202 E203	A195-S199 WeakPolarHBondContact O-CB 3.49Å; A195-S199 PolarHBondContact O-N 3.32Å; A195-S199 PolarHBondContact O-OG 2.97Å; K196-S199 PolarHBondContact O-N 3.02Å; D197-S199 PolarHBondContact O-N 3.3Å; S199-L201 VanDerWaalsContact C-N 3.33Å; S199-L201 PolarHBondContact O-N 3.33Å; S199-A202 PolarHBondContact O-N 2.92Å; S199-E203 WeakPolarHBondContact O-CB 3.44Å; S199-E203 PolarHBondContact O-N 3.22Å
200	R	97.7	Very high	96.5	Very high	155 Å²	155	77.2 Å²	77.2	59%	0.585	42%	0.416	S	S	*	.	H	α-helix	trans	-62.6	-40.7	175.1	-67.6	171	-173.7	158.3	-6.3	111.8	K196 D197 E203 K204	K196-R200 WeakPolarHBondContact O-CG 3.3Å; K196-R200 PolarHBondContact O-N 3.17Å; K196-R200 VanDerWaalsContact O-N 3.16Å; D197-R200 PolarHBondContact O-N 3.13Å; D197-R200 IonicContact OD1-CZ 3.8Å; D197-R200 IonicContact OD1-NH1 2.76Å; D197-R200 PolarHBondContact OD1-NH1 3.25Å; R200-E203 PolarHBondContact O-N 3.49Å; R200-K204 WeakPolarHBondContact O-CB 3.49Å; R200-K204 PolarHBondContact O-N 3.45Å
201	L	97.8	Very high	96.7	Very high	6 Å²	6	74 Å²	74	3%	0.031	40%	0.401	C	S	.	.	H	α-helix	trans	-64.7	-44.1	176.9	-174.4	70.5	0	0	0	111.3	D197 L198 S199 K204 Y205 I211 F228 D242 A243 L246 F247	D197-L201 WeakPolarHBondContact O-CB 3.3Å; D197-L201 PolarHBondContact O-N 2.9Å; L198-L201 PolarHBondContact O-N 3.46Å; S199-L201 VanDerWaalsContact C-N 3.33Å; S199-L201 PolarHBondContact O-N 3.33Å; L201-K204 WeakPolarHBondContact O-CB 3.18Å; L201-K204 PolarHBondContact O-N 3.11Å; L201-Y205 HydrophobicContact CD1-CD2 4.02Å; L201-Y205 HydrophobicContact CD1-CE2 3.76Å; L201-Y205 HydrophobicContact CG-CD2 4.43Å; L201-Y205 WeakPolarHBondContact O-CD2 3.42Å; L201-Y205 PolarHBondContact O-N 3.05Å; L201-I211 HydrophobicContact CD2-CD1 4.01Å; L201-I211 HydrophobicContact CG-CD1 3.79Å; L201-F228 HydrophobicContact CD2-CE1 4.16Å; L201-D242 HydrophobicContact CD1-CB 3.75Å; L201-A243 HydrophobicContact CD2-CB 3.71Å; L201-L246 HydrophobicContact CB-CD2 4.48Å; L201-F247 HydrophobicContact CD2-CE2 4.46Å
202	A	97.7	Very high	96.7	Very high	35 Å²	35	71.1 Å²	71.1	29%	0.289	39%	0.391	S	S	.	.	H	α-helix	trans	-62.9	-40.5	176.5	0	0	0	0	0	112.2	L198 S199 Y205 Q206 I211	L198-A202 WeakPolarHBondContact O-CB 3.43Å; L198-A202 PolarHBondContact O-N 2.98Å; S199-A202 PolarHBondContact O-N 2.92Å; A202-Y205 PolarHBondContact O-N 3.07Å; A202-Q206 WeakPolarHBondContact O-CA 3.24Å; A202-Q206 PolarHBondContact O-N 2.56Å; A202-I211 HydrophobicContact CB-CB 4.34Å
203	E	97.9	Very high	96.8	Very high	141 Å²	141	66.7 Å²	66.7	66%	0.659	37%	0.365	S	S	*	.	H	α-helix	trans	-62.4	-44.1	174.4	-173.8	176.4	-170.2	0	0	111.6	S199 R200 Y205 Q206	S199-E203 WeakPolarHBondContact O-CB 3.44Å; S199-E203 PolarHBondContact O-N 3.22Å; R200-E203 PolarHBondContact O-N 3.49Å; E203-Y205 PolarHBondContact O-N 3.42Å; E203-Q206 WeakPolarHBondContact O-CB 3.45Å; E203-Q206 PolarHBondContact O-N 3.11Å
204	K	98.1	Very high	96.8	Very high	134 Å²	134	66.9 Å²	66.9	58%	0.583	36%	0.362	S	S	*	.	H	α-helix	trans	-56.6	-36.2	178	179.9	178.9	176.6	-177.1	0	113.3	R200 L201 D242	R200-K204 WeakPolarHBondContact O-CB 3.49Å; R200-K204 PolarHBondContact O-N 3.45Å; L201-K204 WeakPolarHBondContact O-CB 3.18Å; L201-K204 PolarHBondContact O-N 3.11Å; K204-D242 WeakPolarHBondContact CE-OD2 3.43Å; K204-D242 IonicContact NZ-OD2 2.82Å; K204-D242 PolarHBondContact NZ-OD2 3.48Å
205	Y	97.9	Very high	96.8	Very high	26 Å²	26	69.2 Å²	69.2	10%	0.102	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	14.9	-176.4	-67.3	-77.9	0	0	0	113.7	L201 A202 E203 G207 V208 V209 I211 T235 L238 A239 D242	L201-Y205 HydrophobicContact CD1-CD2 4.02Å; L201-Y205 HydrophobicContact CD1-CE2 3.76Å; L201-Y205 HydrophobicContact CG-CD2 4.43Å; L201-Y205 WeakPolarHBondContact O-CD2 3.42Å; L201-Y205 PolarHBondContact O-N 3.05Å; A202-Y205 PolarHBondContact O-N 3.07Å; E203-Y205 PolarHBondContact O-N 3.42Å; Y205-G207 PolarHBondContact O-N 2.65Å; Y205-V208 PolarHBondContact O-N 2.93Å; Y205-V208 VanDerWaalsContact O-N 3.15Å; Y205-V209 HydrophobicContact CD1-CG2 4.31Å; Y205-V209 HydrophobicContact CG-CG2 4.49Å; Y205-V209 PolarHBondContact O-N 2.85Å; Y205-I211 HydrophobicContact CD2-CD1 4.4Å; Y205-T235 HydrophobicContact CD1-CG2 3.89Å; Y205-T235 HydrophobicContact CE1-CG2 4.14Å; Y205-L238 HydrophobicContact CE1-CB 4.4Å; Y205-A239 HydrophobicContact CD1-CB 3.95Å; Y205-A239 HydrophobicContact CD2-CB 3.67Å; Y205-A239 HydrophobicContact CE1-CB 3.94Å; Y205-A239 HydrophobicContact CE2-CB 3.68Å; Y205-A239 HydrophobicContact CG-CB 3.81Å; Y205-A239 VanDerWaalsContact CZ-CA 3.5Å; Y205-D242 HydrophobicContact CE2-CB 4.48Å; Y205-D242 WeakPolarHBondContact CE2-OD2 3.31Å; Y205-D242 PolarHBondContact OH-OD2 3.16Å
206	Q	95.8	Very high	96.7	Very high	153 Å²	153	68.1 Å²	68.1	72%	0.715	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	135.2	-174.6	-172.6	179.4	10.9	0	0	111.9	A202 E203 V208	A202-Q206 WeakPolarHBondContact O-CA 3.24Å; A202-Q206 PolarHBondContact O-N 2.56Å; E203-Q206 WeakPolarHBondContact O-CB 3.45Å; E203-Q206 PolarHBondContact O-N 3.11Å; Q206-V208 PolarHBondContact O-N 3.25Å
207	G	93.8	Very high	96.1	Very high	81 Å²	81	68.6 Å²	68.6	84%	0.835	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-12.8	178.5	0	0	0	0	0	115	Y205	Y205-G207 PolarHBondContact O-N 2.65Å
208	V	95.3	Very high	95.6	Very high	47 Å²	47	73.7 Å²	73.7	29%	0.285	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-42.4	179.2	-170.7	0	0	0	0	112	M1 Y205 Q206 S230 E232 T235	M1-V208 HydrophobicContact CE-CG2 4.26Å; Y205-V208 PolarHBondContact O-N 2.93Å; Y205-V208 VanDerWaalsContact O-N 3.15Å; Q206-V208 PolarHBondContact O-N 3.25Å; V208-S230 WeakPolarHBondContact O-CB 3.35Å; V208-S230 PolarHBondContact O-OG 3.41Å; V208-E232 HydrophobicContact CG1-CB 4.3Å; V208-E232 HydrophobicContact CG1-CG 4.28Å; V208-E232 VanDerWaalsContact CG1-OE2 3.32Å; V208-E232 WeakPolarHBondContact CG1-OE2 3.18Å; V208-T235 HydrophobicContact CB-CG2 4.36Å; V208-T235 HydrophobicContact CG1-CG2 3.73Å
209	V	97.7	Very high	95.4	Very high	7 Å²	7	74.1 Å²	74.1	4%	0.042	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.9	175.5	-171.7	0	0	0	0	109.2	Y205 I211 F228 T235 A239	Y205-V209 HydrophobicContact CD1-CG2 4.31Å; Y205-V209 HydrophobicContact CG-CG2 4.49Å; Y205-V209 PolarHBondContact O-N 2.85Å; V209-I211 HydrophobicContact CB-CG1 4.49Å; V209-I211 HydrophobicContact CG1-CG1 3.97Å; V209-F228 HydrophobicContact CG1-CB 4.25Å; V209-F228 HydrophobicContact CG1-CD1 4.37Å; V209-T235 HydrophobicContact CG2-CG2 3.91Å; V209-A239 HydrophobicContact CB-CB 4.45Å; V209-A239 HydrophobicContact CG1-CB 4.21Å; V209-A239 HydrophobicContact CG2-CB 4.17Å
210	S	96.6	Very high	95.3	Very high	76 Å²	76	71.2 Å²	71.2	53%	0.531	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	118.8	168.4	179.5	0	0	0	0	108.3	F228 D229	S210-F228 WeakPolarHBondContact O-CA 3.36Å; S210-D229 PolarHBondContact N-O 2.9Å; S210-D229 PolarHBondContact O-N 3Å
211	I	98	Very high	95.2	Very high	27 Å²	27	64.4 Å²	64.4	14%	0.138	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.3	178.1	-53.7	-175.4	0	0	0	107.9	L198 L201 A202 Y205 V209 I226 A227 F228	L198-I211 HydrophobicContact CD1-CG2 3.74Å; L201-I211 HydrophobicContact CD2-CD1 4.01Å; L201-I211 HydrophobicContact CG-CD1 3.79Å; A202-I211 HydrophobicContact CB-CB 4.34Å; Y205-I211 HydrophobicContact CD2-CD1 4.4Å; V209-I211 HydrophobicContact CB-CG1 4.49Å; V209-I211 HydrophobicContact CG1-CG1 3.97Å; I211-I226 HydrophobicContact CG2-CG2 3.78Å; I211-A227 CarbonylContact C-O 3.54Å; I211-A227 WeakPolarHBondContact CA-O 3.28Å; I211-F228 HydrophobicContact CD1-CD1 4.04Å; I211-F228 HydrophobicContact CD1-CE1 3.92Å; I211-F228 HydrophobicContact CG1-CD1 3.88Å; I211-F228 HydrophobicContact CG1-CE1 4.14Å; I211-F228 HydrophobicContact CG2-CD1 4.27Å; I211-F228 HydrophobicContact CG2-CE1 3.96Å; I211-F228 HydrophobicContact CG2-CZ 4.46Å
212	G	95.5	Very high	95.2	Very high	15 Å²	15	65.4 Å²	65.4	16%	0.155	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148	-179.6	0	0	0	0	0	112	I226 A227	G212-I226 CarbonylContact O-C 3.57Å; G212-I226 VanDerWaalsContact O-CA 3.29Å; G212-I226 WeakPolarHBondContact O-CA 3.36Å; G212-A227 PolarHBondContact N-O 2.86Å; G212-A227 PolarHBondContact O-N 3.23Å
213	S	96.3	Very high	95.1	Very high	29 Å²	29	67.6 Å²	67.6	20%	0.203	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134	172.9	176.8	0	0	0	0	110.3	E191 V224	E191-S213 WeakPolarHBondContact OE1-CB 3.35Å; E191-S213 PolarHBondContact OE1-OG 3.45Å; S213-V224 WeakPolarHBondContact OG-CG1 3.3Å
214	Y	95.9	Very high	95.1	Very high	113 Å²	113	60.9 Å²	60.9	44%	0.443	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	97.6	-177.9	-58.8	-90.3	0	0	0	109.8	R225 A227	Y214-R225 PolarHBondContact N-O 3.14Å; Y214-R225 PolarHBondContact O-N 3.25Å; Y214-A227 HydrophobicContact CD2-CB 4.1Å; Y214-A227 HydrophobicContact CE2-CB 3.57Å
215	P	96.2	Very high	95.1	Very high	52 Å²	52	57 Å²	57	34%	0.338	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	140.3	172.6	-24.7	34.8	0	0	0	112.4	E191 F217 R223	E191-P215 HydrophobicContact CB-CG 4.19Å; E191-P215 HydrophobicContact CG-CG 4.5Å; E191-P215 WeakPolarHBondContact OE2-CG 3.25Å; P215-F217 HydrophobicContact CB-CE2 4.28Å; P215-F217 HydrophobicContact CB-CZ 4.18Å; P215-R223 CarbonylContact C-O 3.43Å; P215-R223 WeakPolarHBondContact CA-O 3.21Å
216	A	93.9	Very high	95.1	Very high	16 Å²	16	55.8 Å²	55.8	13%	0.132	30%	0.297	C	S	.	.			trans	-121.3	96.2	177.1	0	0	0	0	0	109.9	H218 N219 Y222 R223	A216-H218 PolarHBondContact O-N 3.03Å; A216-N219 HydrophobicContact CB-CB 3.83Å; A216-Y222 HydrophobicContact CB-CD2 3.96Å; A216-Y222 HydrophobicContact CB-CE2 3.35Å; A216-R223 PolarHBondContact N-O 2.86Å
217	F	85.3	Confident	95.2	Very high	173 Å²	173	48.6 Å²	48.6	76%	0.759	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-30.1	-176.2	-61.7	-76	0	0	0	114.1	P215	P215-F217 HydrophobicContact CB-CE2 4.28Å; P215-F217 HydrophobicContact CB-CZ 4.18Å
218	H	85.5	Confident	95.4	Very high	166 Å²	166	44.7 Å²	44.7	77%	0.769	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.8	19.5	-171	-54.5	102.8	0	0	0	113.2	A216	A216-H218 PolarHBondContact O-N 3.03Å
219	N	93.7	Very high	95.5	Very high	27 Å²	27	45.5 Å²	45.5	14%	0.144	23%	0.226	C	C	.	.			trans	-89.1	136.9	177	-171.8	-78.9	0	0	0	110.6	A216 Y221 Y222 R223 Y254	A216-N219 HydrophobicContact CB-CB 3.83Å; N219-Y221 PolarHBondContact O-N 3.32Å; N219-Y221 WeakPolarHBondContact OD1-CA 3.46Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.29Å; N219-Y221 PolarHBondContact OD1-N 3.32Å; N219-Y222 HydrophobicContact CB-CD1 4.32Å; N219-Y222 HydrophobicContact CB-CE1 4.16Å; N219-Y222 VanDerWaalsContact CG-CD1 3.46Å; N219-Y222 WeakPolarHBondContact ND2-CE1 3.42Å; N219-Y222 WeakPolarHBondContact OD1-CD1 3.3Å; N219-Y222 PolarHBondContact OD1-N 2.92Å; N219-Y222 VanDerWaalsContact OD1-N 3.09Å; N219-R223 PolarHBondContact O-NH1 3.08Å; N219-Y254 PolarHBondContact ND2-OH 2.88Å; N219-Y254 VanDerWaalsContact ND2-OH 3.13Å
220	N	94.7	Very high	95.4	Very high	16 Å²	16	45.5 Å²	45.5	9%	0.086	23%	0.227	C	C	.	.	S	Bend	trans	-74	-11.9	-176.9	-53.3	110.2	0	0	0	114.4	Y476 D481	N220-Y476 HydrophobicContact CB-CD1 4.25Å; N220-Y476 HydrophobicContact CB-CD2 4.34Å; N220-Y476 HydrophobicContact CB-CE1 3.67Å; N220-Y476 HydrophobicContact CB-CE2 3.8Å; N220-Y476 VanDerWaalsContact CB-CZ 3.44Å; N220-Y476 PolarHBondContact ND2-O 3.45Å; N220-Y476 VanDerWaalsContact ND2-O 3.07Å; N220-Y476 PolarHBondContact O-OH 2.96Å; N220-Y476 PolarHBondContact OD1-N 3.36Å; N220-Y476 VanDerWaalsContact OD1-N 3.11Å; N220-Y476 PolarHBondContact OD1-O 3.03Å; N220-D481 PolarHBondContact ND2-OD2 2.87Å
221	Y	96.3	Very high	95.4	Very high	12 Å²	12	44.5 Å²	44.5	5%	0.047	22%	0.215	C	C	.	.	S	Bend	trans	-120.1	-45.1	-166.8	-62.1	-83.9	0	0	0	113.5	N219 Y254 L469 R470 S473 L474 Y476	N219-Y221 PolarHBondContact O-N 3.32Å; N219-Y221 WeakPolarHBondContact OD1-CA 3.46Å; N219-Y221 WeakPolarHBondContact OD1-CB 3.29Å; N219-Y221 PolarHBondContact OD1-N 3.32Å; Y221-Y254 HydrophobicContact CD2-CD2 4.11Å; Y221-Y254 AromaticContact CD2-CE2 3.65Å; Y221-Y254 HydrophobicContact CD2-CE2 3.65Å; Y221-Y254 HydrophobicContact CE2-CE2 4.45Å; Y221-Y254 AromaticContact CG-CD2 3.99Å; Y221-Y254 HydrophobicContact CG-CD2 3.99Å; Y221-Y254 HydrophobicContact CG-CE2 4.01Å; Y221-L469 PolarHBondContact OH-O 3.14Å; Y221-R470 HydrophobicContact CE1-CB 4.12Å; Y221-R470 HydrophobicContact CE1-CG 3.95Å; Y221-S473 WeakPolarHBondContact CE2-O 3.32Å; Y221-L474 VanDerWaalsContact CE2-O 3.3Å; Y221-L474 WeakPolarHBondContact CE2-O 3.47Å; Y221-L474 PolarHBondContact OH-N 3.41Å; Y221-L474 PolarHBondContact OH-O 2.99Å; Y221-Y476 HydrophobicContact CE1-CE1 4.23Å; Y221-Y476 HydrophobicContact CE2-CE1 4.12Å; Y221-Y476 AromaticContact CZ-CE1 3.66Å; Y221-Y476 WeakPolarHBondContact OH-CE1 3.32Å
222	Y	96.5	Very high	95.3	Very high	27 Å²	27	46.4 Å²	46.4	11%	0.106	22%	0.223	C	C	.	.			trans	-125.6	167.1	-177.1	74.4	-90.2	0	0	0	111.4	Y186 L187 A216 N219 V224 R225 Y254	Y186-Y222 AromaticContact CD1-CD1 3.62Å; Y186-Y222 HydrophobicContact CD1-CD1 3.62Å; Y186-Y222 AromaticContact CD1-CD2 3.94Å; Y186-Y222 HydrophobicContact CD1-CD2 3.94Å; Y186-Y222 AromaticContact CD1-CE1 3.57Å; Y186-Y222 HydrophobicContact CD1-CE1 3.57Å; Y186-Y222 AromaticContact CD1-CE2 3.91Å; Y186-Y222 HydrophobicContact CD1-CE2 3.91Å; Y186-Y222 AromaticContact CD1-CG 3.81Å; Y186-Y222 HydrophobicContact CD1-CG 3.81Å; Y186-Y222 AromaticContact CD1-CZ 3.73Å; Y186-Y222 HydrophobicContact CE1-CD1 4.36Å; Y186-Y222 AromaticContact CE1-CE1 3.88Å; Y186-Y222 HydrophobicContact CE1-CE1 3.88Å; Y186-Y222 HydrophobicContact CE1-CE2 4.42Å; Y186-Y222 AromaticContact CE1-CZ 3.91Å; Y186-Y222 HydrophobicContact CG-CD1 4.36Å; Y186-Y222 HydrophobicContact CG-CG 4.42Å; L187-Y222 WeakPolarHBondContact O-CB 3.35Å; A216-Y222 HydrophobicContact CB-CD2 3.96Å; A216-Y222 HydrophobicContact CB-CE2 3.35Å; N219-Y222 HydrophobicContact CB-CD1 4.32Å; N219-Y222 HydrophobicContact CB-CE1 4.16Å; N219-Y222 VanDerWaalsContact CG-CD1 3.46Å; N219-Y222 WeakPolarHBondContact ND2-CE1 3.42Å; N219-Y222 WeakPolarHBondContact OD1-CD1 3.3Å; N219-Y222 PolarHBondContact OD1-N 2.92Å; N219-Y222 VanDerWaalsContact OD1-N 3.09Å; Y222-V224 WeakPolarHBondContact CD2-O 3.39Å; Y222-R225 HydrophobicContact CD2-CB 4.4Å; Y222-R225 HydrophobicContact CE2-CB 3.69Å; Y222-Y254 AromaticContact CD1-CD1 3.91Å; Y222-Y254 HydrophobicContact CD1-CD1 3.91Å; Y222-Y254 HydrophobicContact CD1-CD2 4.13Å; Y222-Y254 AromaticContact CD1-CE1 3.93Å; Y222-Y254 HydrophobicContact CD1-CE1 3.93Å; Y222-Y254 HydrophobicContact CD1-CE2 4.18Å; Y222-Y254 AromaticContact CD1-CG 4Å; Y222-Y254 HydrophobicContact CD1-CG 4Å; Y222-Y254 AromaticContact CE1-CD1 3.79Å; Y222-Y254 HydrophobicContact CE1-CD1 3.79Å; Y222-Y254 AromaticContact CE1-CE1 3.41Å; Y222-Y254 HydrophobicContact CE1-CE1 3.41Å; Y222-Y254 VanDerWaalsContact CE1-CE1 3.41Å; Y222-Y254 HydrophobicContact CE1-CE2 4.25Å; Y222-Y254 HydrophobicContact CE1-CG 4.32Å; Y222-Y254 AromaticContact CE1-CZ 3.69Å
223	R	96.8	Very high	95.3	Very high	81 Å²	81	49.3 Å²	49.3	31%	0.306	23%	0.233	S	C	.	.	S	Bend	trans	-118	-29	179	-65	-64.5	174.3	-97.7	3.3	112.4	L187 T188 T189 M190 P215 A216 N219	L187-R223 PolarHBondContact O-N 3.21Å; T188-R223 WeakPolarHBondContact O-CG 3.48Å; T189-R223 VanDerWaalsContact O-CB 3.3Å; T189-R223 WeakPolarHBondContact O-CB 3.32Å; M190-R223 HydrophobicContact CE-CG 3.92Å; M190-R223 HydrophobicContact SD-CB 4.36Å; M190-R223 HydrophobicContact SD-CG 4.39Å; P215-R223 CarbonylContact C-O 3.43Å; P215-R223 WeakPolarHBondContact CA-O 3.21Å; A216-R223 PolarHBondContact N-O 2.86Å; N219-R223 PolarHBondContact O-NH1 3.08Å
224	V	97.7	Very high	95.4	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.5	174.3	-177.4	0	0	0	0	110.6	L187 T189 E191 I194 S213 Y222 I226	L187-V224 PolarHBondContact N-O 2.96Å; L187-V224 PolarHBondContact O-N 2.82Å; L187-V224 VanDerWaalsContact O-N 3.1Å; T189-V224 WeakPolarHBondContact O-CG2 3.44Å; E191-V224 HydrophobicContact CB-CG2 3.86Å; I194-V224 HydrophobicContact CD1-CB 4.4Å; I194-V224 HydrophobicContact CD1-CG1 4.13Å; S213-V224 WeakPolarHBondContact OG-CG1 3.3Å; Y222-V224 WeakPolarHBondContact CD2-O 3.39Å; V224-I226 HydrophobicContact CG1-CD1 3.56Å; V224-I226 HydrophobicContact CG1-CG1 4.37Å
225	R	97.8	Very high	95.5	Very high	53 Å²	53	49.5 Å²	49.5	20%	0.2	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.1	165.5	-179.7	-177.7	65.8	83.8	5.3	108.9	S184 L185 Y186 Y214 Y222	S184-R225 PolarHBondContact OG-NH1 2.98Å; L185-R225 CarbonylContact O-C 3.56Å; L185-R225 WeakPolarHBondContact O-CA 3.44Å; Y186-R225 HydrophobicContact CD1-CB 4Å; Y186-R225 HydrophobicContact CD1-CG 3.91Å; Y186-R225 HydrophobicContact CE1-CB 4.02Å; Y186-R225 VanDerWaalsContact CE1-CD 3.45Å; Y186-R225 HydrophobicContact CE1-CG 3.55Å; Y214-R225 PolarHBondContact N-O 3.14Å; Y214-R225 PolarHBondContact O-N 3.25Å; Y222-R225 HydrophobicContact CD2-CB 4.4Å; Y222-R225 HydrophobicContact CE2-CB 3.69Å
226	I	98	Very high	95.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.9	170.8	-51.4	-58.2	0	0	0	108.4	S184 L185 L187 I194 L198 I211 G212 V224 F228	S184-I226 CarbonylContact C-O 3.55Å; S184-I226 WeakPolarHBondContact CA-O 3.37Å; L185-I226 HydrophobicContact CB-CB 4.4Å; L185-I226 PolarHBondContact N-O 3.1Å; L185-I226 PolarHBondContact O-N 2.9Å; L187-I226 HydrophobicContact CD1-CG1 3.87Å; L187-I226 HydrophobicContact CG-CG1 4.49Å; I194-I226 HydrophobicContact CD1-CD1 3.97Å; L198-I226 HydrophobicContact CD1-CD1 4.02Å; L198-I226 HydrophobicContact CD1-CG1 4.45Å; L198-I226 HydrophobicContact CD1-CG2 3.87Å; L198-I226 HydrophobicContact CD2-CD1 3.79Å; I211-I226 HydrophobicContact CG2-CG2 3.78Å; G212-I226 CarbonylContact O-C 3.57Å; G212-I226 VanDerWaalsContact O-CA 3.29Å; G212-I226 WeakPolarHBondContact O-CA 3.36Å; V224-I226 HydrophobicContact CG1-CD1 3.56Å; V224-I226 HydrophobicContact CG1-CG1 4.37Å; I226-F228 HydrophobicContact CB-CE2 3.99Å; I226-F228 HydrophobicContact CB-CZ 4.27Å; I226-F228 HydrophobicContact CG2-CD2 4.33Å; I226-F228 HydrophobicContact CG2-CE1 4.23Å; I226-F228 HydrophobicContact CG2-CE2 3.51Å; I226-F228 HydrophobicContact CG2-CZ 3.43Å; I226-F228 VanDerWaalsContact CG2-CZ 3.43Å
227	A	97.7	Very high	95.8	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.5	178.1	0	0	0	0	0	110.5	I211 G212 Y214	I211-A227 CarbonylContact C-O 3.54Å; I211-A227 WeakPolarHBondContact CA-O 3.28Å; G212-A227 PolarHBondContact N-O 2.86Å; G212-A227 PolarHBondContact O-N 3.23Å; Y214-A227 HydrophobicContact CD2-CB 4.1Å; Y214-A227 HydrophobicContact CE2-CB 3.57Å
228	F	98.4	Very high	96.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.6	175.5	-56	-98.7	0	0	0	107.9	H182 R183 L185 L201 V209 S210 I211 I226 L236 A239 Y240 A243	H182-F228 VanDerWaalsContact CA-O 3.32Å; H182-F228 WeakPolarHBondContact CA-O 3.45Å; R183-F228 HydrophobicContact CB-CB 4.38Å; R183-F228 PolarHBondContact N-O 3.27Å; R183-F228 PolarHBondContact O-N 2.81Å; L185-F228 HydrophobicContact CB-CE2 4.12Å; L201-F228 HydrophobicContact CD2-CE1 4.16Å; V209-F228 HydrophobicContact CG1-CB 4.25Å; V209-F228 HydrophobicContact CG1-CD1 4.37Å; S210-F228 WeakPolarHBondContact O-CA 3.36Å; I211-F228 HydrophobicContact CD1-CD1 4.04Å; I211-F228 HydrophobicContact CD1-CE1 3.92Å; I211-F228 HydrophobicContact CG1-CD1 3.88Å; I211-F228 HydrophobicContact CG1-CE1 4.14Å; I211-F228 HydrophobicContact CG2-CD1 4.27Å; I211-F228 HydrophobicContact CG2-CE1 3.96Å; I211-F228 HydrophobicContact CG2-CZ 4.46Å; I226-F228 HydrophobicContact CB-CE2 3.99Å; I226-F228 HydrophobicContact CB-CZ 4.27Å; I226-F228 HydrophobicContact CG2-CD2 4.33Å; I226-F228 HydrophobicContact CG2-CE1 4.23Å; I226-F228 HydrophobicContact CG2-CE2 3.51Å; I226-F228 HydrophobicContact CG2-CZ 3.43Å; I226-F228 VanDerWaalsContact CG2-CZ 3.43Å; F228-L236 HydrophobicContact CB-CD1 4.34Å; F228-L236 HydrophobicContact CB-CG 4.24Å; F228-A239 HydrophobicContact CD1-CB 4.29Å; F228-Y240 AromaticContact CD2-CD2 3.88Å; F228-Y240 HydrophobicContact CD2-CD2 3.88Å; F228-Y240 AromaticContact CE2-CD2 3.95Å; F228-Y240 HydrophobicContact CE2-CD2 3.95Å; F228-Y240 HydrophobicContact CE2-CE2 4.45Å; F228-A243 HydrophobicContact CE1-CB 3.94Å; F228-A243 HydrophobicContact CE2-CB 4.4Å; F228-A243 HydrophobicContact CZ-CB 3.42Å; F228-A243 VanDerWaalsContact CZ-CB 3.42Å
229	D	96.5	Very high	97	Very high	63 Å²	63	39.2 Å²	39.2	34%	0.337	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.4	179.9	-62.3	-73.5	0	0	0	109.8	F181 H182 S210	F181-D229 WeakPolarHBondContact O-CA 3.41Å; H182-D229 IonicContact CE1-OD1 2.73Å; H182-D229 IonicContact CG-OD1 2.71Å; H182-D229 IonicContact ND1-OD1 3.31Å; H182-D229 PolarHBondContact ND1-OD1 3.5Å; H182-D229 IonicContact ND1-OD2 2.75Å; S210-D229 PolarHBondContact N-O 2.9Å; S210-D229 PolarHBondContact O-N 3Å
230	S	96.6	Very high	97.2	Very high	8 Å²	8	40.3 Å²	40.3	6%	0.056	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	163.9	179	-168.2	0	0	0	0	112.2	F181 V208 E232	F181-S230 PolarHBondContact N-O 3.47Å; F181-S230 PolarHBondContact O-N 2.9Å; V208-S230 WeakPolarHBondContact O-CB 3.35Å; V208-S230 PolarHBondContact O-OG 3.41Å; S230-E232 PolarHBondContact OG-N 3.47Å
231	L	95.8	Very high	97.4	Very high	54 Å²	54	46.3 Å²	46.3	28%	0.283	22%	0.217	S	C	.	.	S	Bend	trans	-94.4	-8.1	165.1	-61.4	173	0	0	0	111.8	V2 P4 V178 I179 F180	V2-L231 WeakPolarHBondContact O-CD1 3.5Å; P4-L231 HydrophobicContact CG-CD1 4.16Å; V178-L231 HydrophobicContact CG1-CD2 3.93Å; I179-L231 WeakPolarHBondContact O-CD2 3.28Å; F180-L231 HydrophobicContact CD1-CD2 3.85Å; F180-L231 HydrophobicContact CD2-CD2 4.45Å; F180-L231 HydrophobicContact CE1-CD2 3.89Å; F180-L231 HydrophobicContact CE2-CD2 4.49Å; F180-L231 HydrophobicContact CG-CD2 4.15Å; F180-L231 HydrophobicContact CZ-CD2 4.22Å
232	E	95.5	Very high	97.5	Very high	67 Å²	67	47.6 Å²	47.6	31%	0.313	23%	0.225	S	C	.	.			trans	-112.5	105.2	-179.8	-66.2	-173.8	-174	0	0	110.3	M1 V208 S230 D234 T235 L236	M1-E232 WeakPolarHBondContact CE-OE1 3.3Å; V208-E232 HydrophobicContact CG1-CB 4.3Å; V208-E232 HydrophobicContact CG1-CG 4.28Å; V208-E232 VanDerWaalsContact CG1-OE2 3.32Å; V208-E232 WeakPolarHBondContact CG1-OE2 3.18Å; S230-E232 PolarHBondContact OG-N 3.47Å; E232-D234 PolarHBondContact O-N 2.95Å; E232-T235 PolarHBondContact OE2-OG1 2.77Å; E232-L236 WeakPolarHBondContact O-CB 3.47Å; E232-L236 PolarHBondContact O-N 3.15Å
233	E	96.5	Very high	97.6	Very high	76 Å²	76	46.3 Å²	46.3	36%	0.355	22%	0.22	S	C	.	.	H	α-helix	trans	-61.2	-43.4	-174.8	-164.3	-176.4	165.6	0	0	112.8	F181 L236 K237	F181-E233 HydrophobicContact CD1-CB 3.88Å; F181-E233 HydrophobicContact CD1-CG 3.61Å; F181-E233 HydrophobicContact CD2-CB 4Å; F181-E233 HydrophobicContact CE1-CB 3.72Å; F181-E233 HydrophobicContact CE1-CG 3.64Å; F181-E233 WeakPolarHBondContact CE1-OE2 3.4Å; F181-E233 HydrophobicContact CE2-CB 3.86Å; F181-E233 HydrophobicContact CG-CB 4Å; F181-E233 HydrophobicContact CG-CG 4.1Å; F181-E233 HydrophobicContact CZ-CB 3.72Å; F181-E233 HydrophobicContact CZ-CG 4.18Å; E233-L236 PolarHBondContact O-N 3.39Å; E233-K237 HydrophobicContact CG-CD 4.4Å; E233-K237 WeakPolarHBondContact O-CG 3.29Å; E233-K237 PolarHBondContact O-N 2.79Å; E233-K237 WeakPolarHBondContact OE1-CE 3.41Å; E233-K237 IonicContact OE1-NZ 3.77Å; E233-K237 PolarHBondContact OE1-NZ 3.13Å; E233-K237 IonicContact OE2-NZ 2.75Å
234	D	97.7	Very high	97.6	Very high	115 Å²	115	46.2 Å²	46.2	62%	0.615	22%	0.223	S	C	*	.	H	α-helix	trans	-69	-43.3	-175.9	-66.9	-30.9	0	0	0	111.8	E232 L236 K237 L238	E232-D234 PolarHBondContact O-N 2.95Å; D234-L236 VanDerWaalsContact C-N 3.3Å; D234-L236 PolarHBondContact O-N 3.03Å; D234-K237 PolarHBondContact O-N 3.15Å; D234-L238 WeakPolarHBondContact O-CG 3.5Å; D234-L238 PolarHBondContact O-N 3.08Å
235	T	97.6	Very high	97.6	Very high	32 Å²	32	50.9 Å²	50.9	20%	0.196	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-39.2	175.2	-49.6	0	0	0	0	111	Y205 V208 V209 E232 L238 A239	Y205-T235 HydrophobicContact CD1-CG2 3.89Å; Y205-T235 HydrophobicContact CE1-CG2 4.14Å; V208-T235 HydrophobicContact CB-CG2 4.36Å; V208-T235 HydrophobicContact CG1-CG2 3.73Å; V209-T235 HydrophobicContact CG2-CG2 3.91Å; E232-T235 PolarHBondContact OE2-OG1 2.77Å; T235-L238 PolarHBondContact O-N 3.2Å; T235-A239 PolarHBondContact O-N 3.21Å
236	L	98.3	Very high	97.6	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-43	174.1	-176	149.8	0	0	0	112.2	F181 R183 F228 E232 E233 D234 L238 A239 Y240	F181-L236 HydrophobicContact CB-CD1 3.86Å; F181-L236 VanDerWaalsContact O-CD1 3.29Å; F181-L236 WeakPolarHBondContact O-CD1 3.36Å; R183-L236 HydrophobicContact CB-CD2 3.93Å; R183-L236 HydrophobicContact CG-CD2 3.38Å; F228-L236 HydrophobicContact CB-CD1 4.34Å; F228-L236 HydrophobicContact CB-CG 4.24Å; E232-L236 WeakPolarHBondContact O-CB 3.47Å; E232-L236 PolarHBondContact O-N 3.15Å; E233-L236 PolarHBondContact O-N 3.39Å; D234-L236 VanDerWaalsContact C-N 3.3Å; D234-L236 PolarHBondContact O-N 3.03Å; L236-L238 VanDerWaalsContact C-N 3.31Å; L236-L238 PolarHBondContact O-N 2.83Å; L236-A239 PolarHBondContact O-N 3.19Å; L236-Y240 WeakPolarHBondContact O-CB 3.48Å; L236-Y240 PolarHBondContact O-N 3.41Å
237	K	98.4	Very high	97.6	Very high	90 Å²	90	52.5 Å²	52.5	39%	0.391	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-39.7	175.5	-75	168.9	-177.9	158.3	0	111.7	E233 D234 K241	E233-K237 HydrophobicContact CG-CD 4.4Å; E233-K237 WeakPolarHBondContact O-CG 3.29Å; E233-K237 PolarHBondContact O-N 2.79Å; E233-K237 WeakPolarHBondContact OE1-CE 3.41Å; E233-K237 IonicContact OE1-NZ 3.77Å; E233-K237 PolarHBondContact OE1-NZ 3.13Å; E233-K237 IonicContact OE2-NZ 2.75Å; D234-K237 PolarHBondContact O-N 3.15Å; K237-K241 WeakPolarHBondContact O-CB 3.48Å; K237-K241 PolarHBondContact O-N 3.28Å
238	L	98.2	Very high	97.5	Very high	98 Å²	98	59.8 Å²	59.8	51%	0.513	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-47.9	175.1	-69.9	171.9	0	0	0	111.6	Y205 D234 T235 L236 Y240 K241 D242	Y205-L238 HydrophobicContact CE1-CB 4.4Å; D234-L238 WeakPolarHBondContact O-CG 3.5Å; D234-L238 PolarHBondContact O-N 3.08Å; T235-L238 PolarHBondContact O-N 3.2Å; L236-L238 VanDerWaalsContact C-N 3.31Å; L236-L238 PolarHBondContact O-N 2.83Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; L238-Y240 PolarHBondContact O-N 3.29Å; L238-K241 PolarHBondContact O-N 3.29Å; L238-D242 PolarHBondContact O-N 3.05Å
239	A	98.5	Very high	97.4	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-41.6	177.3	0	0	0	0	0	112.4	Y205 V209 F228 T235 L236 D242 A243	Y205-A239 HydrophobicContact CD1-CB 3.95Å; Y205-A239 HydrophobicContact CD2-CB 3.67Å; Y205-A239 HydrophobicContact CE1-CB 3.94Å; Y205-A239 HydrophobicContact CE2-CB 3.68Å; Y205-A239 HydrophobicContact CG-CB 3.81Å; Y205-A239 VanDerWaalsContact CZ-CA 3.5Å; V209-A239 HydrophobicContact CB-CB 4.45Å; V209-A239 HydrophobicContact CG1-CB 4.21Å; V209-A239 HydrophobicContact CG2-CB 4.17Å; F228-A239 HydrophobicContact CD1-CB 4.29Å; T235-A239 PolarHBondContact O-N 3.21Å; L236-A239 PolarHBondContact O-N 3.19Å; A239-D242 PolarHBondContact O-N 3.43Å; A239-A243 PolarHBondContact O-N 3.02Å
240	Y	98.4	Very high	97.5	Very high	50 Å²	50	67.7 Å²	67.7	20%	0.196	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-47.6	175.6	-173.4	-96.1	0	0	0	111.7	R183 S184 L185 F228 L236 L238 D242 A243 E244	R183-Y240 HydrophobicContact CB-CD2 3.6Å; R183-Y240 HydrophobicContact CB-CE2 3.91Å; R183-Y240 HydrophobicContact CB-CG 4.32Å; R183-Y240 HydrophobicContact CG-CD2 4.26Å; S184-Y240 WeakPolarHBondContact O-CE2 3.49Å; S184-Y240 PolarHBondContact O-OH 3.41Å; L185-Y240 HydrophobicContact CB-CE2 4.11Å; L185-Y240 HydrophobicContact CD1-CE2 4.34Å; F228-Y240 AromaticContact CD2-CD2 3.88Å; F228-Y240 HydrophobicContact CD2-CD2 3.88Å; F228-Y240 AromaticContact CE2-CD2 3.95Å; F228-Y240 HydrophobicContact CE2-CD2 3.95Å; F228-Y240 HydrophobicContact CE2-CE2 4.45Å; L236-Y240 WeakPolarHBondContact O-CB 3.48Å; L236-Y240 PolarHBondContact O-N 3.41Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; L238-Y240 PolarHBondContact O-N 3.29Å; Y240-D242 VanDerWaalsContact C-N 3.34Å; Y240-D242 PolarHBondContact O-N 3.04Å; Y240-A243 WeakPolarHBondContact O-CB 3.07Å; Y240-A243 PolarHBondContact O-N 3.37Å; Y240-A243 VanDerWaalsContact O-N 3.14Å; Y240-E244 HydrophobicContact CD1-CG 4.04Å; Y240-E244 HydrophobicContact CE1-CG 3.75Å; Y240-E244 WeakPolarHBondContact CE1-OE1 3.49Å; Y240-E244 WeakPolarHBondContact O-CG 3.48Å; Y240-E244 PolarHBondContact O-N 2.87Å
241	K	98.3	Very high	97.5	Very high	142 Å²	142	70.2 Å²	70.2	62%	0.617	35%	0.346	S	S	*	.	H	α-helix	trans	-64	-37.8	179.2	-174	177.7	-179.1	-180	0	112.8	K237 L238 E244 C245	K237-K241 WeakPolarHBondContact O-CB 3.48Å; K237-K241 PolarHBondContact O-N 3.28Å; L238-K241 PolarHBondContact O-N 3.29Å; K241-E244 PolarHBondContact O-N 2.88Å; K241-C245 PolarHBondContact O-N 3.17Å
242	D	98.3	Very high	97.5	Very high	40 Å²	40	69.3 Å²	69.3	21%	0.214	34%	0.342	C	S	.	.	H	α-helix	trans	-62.1	-45.3	172.5	-78	-8.4	0	0	0	110.7	L201 K204 Y205 L238 A239 Y240 E244 C245 L246	L201-D242 HydrophobicContact CD1-CB 3.75Å; K204-D242 WeakPolarHBondContact CE-OD2 3.43Å; K204-D242 IonicContact NZ-OD2 2.82Å; K204-D242 PolarHBondContact NZ-OD2 3.48Å; Y205-D242 HydrophobicContact CE2-CB 4.48Å; Y205-D242 WeakPolarHBondContact CE2-OD2 3.31Å; Y205-D242 PolarHBondContact OH-OD2 3.16Å; L238-D242 PolarHBondContact O-N 3.05Å; A239-D242 PolarHBondContact O-N 3.43Å; Y240-D242 VanDerWaalsContact C-N 3.34Å; Y240-D242 PolarHBondContact O-N 3.04Å; D242-E244 VanDerWaalsContact C-N 3.32Å; D242-E244 PolarHBondContact O-N 3.34Å; D242-C245 WeakPolarHBondContact O-CB 3.46Å; D242-C245 PolarHBondContact O-N 3.44Å; D242-C245 VanDerWaalsContact O-N 3.17Å; D242-L246 WeakPolarHBondContact O-CB 3.45Å; D242-L246 WeakPolarHBondContact O-CD1 3.18Å; D242-L246 PolarHBondContact O-N 3.41Å
243	A	98	Very high	97.4	Very high	0 Å²	0	75 Å²	75	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60.4	-40.7	175.1	0	0	0	0	0	112.3	L185 L201 F228 A239 Y240 C245 L246 F247	L185-A243 HydrophobicContact CD2-CB 4.1Å; L201-A243 HydrophobicContact CD2-CB 3.71Å; F228-A243 HydrophobicContact CE1-CB 3.94Å; F228-A243 HydrophobicContact CE2-CB 4.4Å; F228-A243 HydrophobicContact CZ-CB 3.42Å; F228-A243 VanDerWaalsContact CZ-CB 3.42Å; A239-A243 PolarHBondContact O-N 3.02Å; Y240-A243 WeakPolarHBondContact O-CB 3.07Å; Y240-A243 PolarHBondContact O-N 3.37Å; Y240-A243 VanDerWaalsContact O-N 3.14Å; A243-C245 VanDerWaalsContact C-N 3.28Å; A243-C245 PolarHBondContact O-N 2.89Å; A243-L246 PolarHBondContact O-N 2.88Å; A243-F247 HydrophobicContact CB-CD2 4.13Å; A243-F247 HydrophobicContact CB-CE2 4.24Å; A243-F247 WeakPolarHBondContact O-CB 3.45Å; A243-F247 VanDerWaalsContact O-CD2 3.24Å; A243-F247 WeakPolarHBondContact O-CD2 3.23Å; A243-F247 PolarHBondContact O-N 2.97Å
244	E	97.9	Very high	97.4	Very high	79 Å²	79	73.1 Å²	73.1	37%	0.369	36%	0.358	S	S	.	.	H	α-helix	trans	-59.9	-40.6	175.5	-74	-175.6	120.6	0	0	111.7	L185 Y240 K241 D242 K248 I251	L185-E244 HydrophobicContact CD1-CG 4.26Å; Y240-E244 HydrophobicContact CD1-CG 4.04Å; Y240-E244 HydrophobicContact CE1-CG 3.75Å; Y240-E244 WeakPolarHBondContact CE1-OE1 3.49Å; Y240-E244 WeakPolarHBondContact O-CG 3.48Å; Y240-E244 PolarHBondContact O-N 2.87Å; K241-E244 PolarHBondContact O-N 2.88Å; D242-E244 VanDerWaalsContact C-N 3.32Å; D242-E244 PolarHBondContact O-N 3.34Å; E244-K248 VanDerWaalsContact O-CA 3.31Å; E244-K248 WeakPolarHBondContact O-CA 3.44Å; E244-K248 WeakPolarHBondContact O-CB 3.47Å; E244-K248 PolarHBondContact O-N 2.79Å; E244-K248 VanDerWaalsContact O-N 3.16Å; E244-I251 HydrophobicContact CB-CD1 4.22Å; E244-I251 HydrophobicContact CG-CD1 4.34Å; E244-I251 WeakPolarHBondContact O-CD1 3.22Å
245	C	97.7	Very high	97.2	Very high	99 Å²	99	70.4 Å²	70.4	67%	0.669	34%	0.344	S	S	*	.	H	α-helix	trans	-69.2	-42.2	176.4	-171.4	0	0	0	0	112.2	K241 D242 A243	K241-C245 PolarHBondContact O-N 3.17Å; D242-C245 WeakPolarHBondContact O-CB 3.46Å; D242-C245 PolarHBondContact O-N 3.44Å; D242-C245 VanDerWaalsContact O-N 3.17Å; A243-C245 VanDerWaalsContact C-N 3.28Å; A243-C245 PolarHBondContact O-N 2.89Å
246	L	97.1	Very high	96.9	Very high	83 Å²	83	71 Å²	71	44%	0.435	35%	0.348	S	S	.	.	H	α-helix	trans	-67.8	-40.3	-178.7	-96.5	67.7	0	0	0	112.5	D197 L201 D242 A243	D197-L246 HydrophobicContact CB-CD2 4.26Å; L201-L246 HydrophobicContact CB-CD2 4.48Å; D242-L246 WeakPolarHBondContact O-CB 3.45Å; D242-L246 WeakPolarHBondContact O-CD1 3.18Å; D242-L246 PolarHBondContact O-N 3.41Å; A243-L246 PolarHBondContact O-N 2.88Å
247	F	97.4	Very high	96.6	Very high	3 Å²	3	78.2 Å²	78.2	1%	0.013	38%	0.376	C	S	.	.	S	Bend	trans	-108.7	15.8	-172	-53.2	-54.9	0	0	0	113.6	L185 L187 I194 D197 L198 L201 A243 D249 Y250 I251	L185-F247 HydrophobicContact CD2-CD2 4.25Å; L187-F247 HydrophobicContact CD1-CB 4.03Å; L187-F247 HydrophobicContact CD1-CD1 4.43Å; L187-F247 HydrophobicContact CD1-CD2 4.09Å; L187-F247 HydrophobicContact CD1-CG 3.92Å; L187-F247 HydrophobicContact CD2-CB 3.72Å; L187-F247 HydrophobicContact CD2-CG 4.47Å; I194-F247 HydrophobicContact CB-CD1 4.17Å; I194-F247 HydrophobicContact CB-CE1 3.68Å; I194-F247 HydrophobicContact CB-CZ 4.33Å; I194-F247 HydrophobicContact CG2-CD1 3.77Å; I194-F247 HydrophobicContact CG2-CE1 3.81Å; D197-F247 HydrophobicContact CB-CE1 4.01Å; D197-F247 HydrophobicContact CB-CZ 4.34Å; L198-F247 HydrophobicContact CB-CZ 4.23Å; L198-F247 HydrophobicContact CD1-CE2 4.25Å; L198-F247 HydrophobicContact CD1-CZ 4.3Å; L201-F247 HydrophobicContact CD2-CE2 4.46Å; A243-F247 HydrophobicContact CB-CD2 4.13Å; A243-F247 HydrophobicContact CB-CE2 4.24Å; A243-F247 WeakPolarHBondContact O-CB 3.45Å; A243-F247 VanDerWaalsContact O-CD2 3.24Å; A243-F247 WeakPolarHBondContact O-CD2 3.23Å; A243-F247 PolarHBondContact O-N 2.97Å; F247-D249 PolarHBondContact O-N 2.71Å; F247-Y250 HydrophobicContact CB-CD2 4.49Å; F247-Y250 PolarHBondContact O-N 3.37Å; F247-I251 WeakPolarHBondContact O-CG1 3.49Å; F247-I251 PolarHBondContact O-N 2.84Å
248	K	96.9	Very high	96.3	Very high	154 Å²	154	74.7 Å²	74.7	67%	0.67	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-42.5	-45.7	-172.5	-175.2	-177	173.2	-170.8	0	114.3	E244 Y250	E244-K248 VanDerWaalsContact O-CA 3.31Å; E244-K248 WeakPolarHBondContact O-CA 3.44Å; E244-K248 WeakPolarHBondContact O-CB 3.47Å; E244-K248 PolarHBondContact O-N 2.79Å; E244-K248 VanDerWaalsContact O-N 3.16Å; K248-Y250 PolarHBondContact O-N 2.97Å
249	D	96.9	Very high	95.9	Very high	145 Å²	145	70.8 Å²	70.8	78%	0.775	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-73.7	-12.1	-174.2	-60.2	-30.1	0	0	0	113.6	F247	F247-D249 PolarHBondContact O-N 2.71Å
250	Y	96.9	Very high	95.5	Very high	85 Å²	85	75.9 Å²	75.9	33%	0.333	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-108.3	-11.5	-178	-53	-60.7	0	0	0	113.7	L187 T188 T189 I194 F247 K248 I252	L187-Y250 CarbonylContact C-O 3.21Å; L187-Y250 WeakPolarHBondContact CA-O 3.31Å; T188-Y250 PolarHBondContact N-O 3.15Å; T188-Y250 PolarHBondContact OG1-O 2.85Å; T189-Y250 HydrophobicContact CG2-CD1 3.78Å; T189-Y250 HydrophobicContact CG2-CD2 3.8Å; T189-Y250 HydrophobicContact CG2-CE1 4.29Å; T189-Y250 HydrophobicContact CG2-CE2 4.32Å; T189-Y250 HydrophobicContact CG2-CG 3.49Å; T189-Y250 VanDerWaalsContact CG2-CG 3.49Å; I194-Y250 HydrophobicContact CG2-CD2 4.37Å; I194-Y250 HydrophobicContact CG2-CE2 4.45Å; F247-Y250 HydrophobicContact CB-CD2 4.49Å; F247-Y250 PolarHBondContact O-N 3.37Å; K248-Y250 PolarHBondContact O-N 2.97Å; Y250-I252 PolarHBondContact O-N 3.05Å
251	I	97.3	Very high	95.2	Very high	60 Å²	60	78.7 Å²	78.7	31%	0.308	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-67.7	132.5	-173	-66.5	165.8	0	0	0	110.5	L185 Y186 L187 E244 F247	L185-I251 HydrophobicContact CD1-CD1 3.95Å; L185-I251 HydrophobicContact CD1-CG1 3.89Å; L185-I251 HydrophobicContact CD1-CG2 3.93Å; L185-I251 HydrophobicContact CD2-CD1 4.11Å; L185-I251 HydrophobicContact CD2-CG1 4.05Å; L185-I251 HydrophobicContact CG-CD1 4.47Å; L185-I251 HydrophobicContact CG-CG1 4.13Å; Y186-I251 WeakPolarHBondContact O-CA 3.41Å; L187-I251 HydrophobicContact CD2-CB 4.46Å; L187-I251 HydrophobicContact CD2-CG1 3.68Å; E244-I251 HydrophobicContact CB-CD1 4.22Å; E244-I251 HydrophobicContact CG-CD1 4.34Å; E244-I251 WeakPolarHBondContact O-CD1 3.22Å; F247-I251 WeakPolarHBondContact O-CG1 3.49Å; F247-I251 PolarHBondContact O-N 2.84Å
252	I	95.6	Very high	95	Very high	36 Å²	36	72 Å²	72	19%	0.185	35%	0.353	C	S	.	.			trans	-120	135.3	168.3	-170	166	0	0	0	110.1	Y186 T188 Y250 Y254	Y186-I252 PolarHBondContact O-N 3.13Å; T188-I252 HydrophobicContact CG2-CB 3.95Å; T188-I252 HydrophobicContact CG2-CD1 4.3Å; T188-I252 HydrophobicContact CG2-CG2 4.04Å; Y250-I252 PolarHBondContact O-N 3.05Å; I252-Y254 PolarHBondContact O-N 3.06Å
253	Q	94	Very high	94.9	Very high	186 Å²	186	70.4 Å²	70.4	87%	0.869	35%	0.345	S	S	*	.			trans	-69	120.1	169.1	-173.5	176.8	3.7	0	0	108.4
254	Y	95.6	Very high	94.7	Very high	36 Å²	36	74.9 Å²	74.9	14%	0.141	37%	0.366	C	S	.	.			trans	-139.5	130.3	-175.2	179.5	-102.6	0	0	0	110.6	Y186 N219 Y221 Y222 I252 P256	Y186-Y254 AromaticContact CD1-CD1 3.55Å; Y186-Y254 HydrophobicContact CD1-CD1 3.55Å; Y186-Y254 HydrophobicContact CD1-CE1 4.23Å; Y186-Y254 HydrophobicContact CD1-CG 4.22Å; Y186-Y254 HydrophobicContact CD2-CD1 4.03Å; Y186-Y254 HydrophobicContact CD2-CG 4.41Å; Y186-Y254 AromaticContact CE1-CD1 3.43Å; Y186-Y254 HydrophobicContact CE1-CD1 3.43Å; Y186-Y254 VanDerWaalsContact CE1-CD1 3.43Å; Y186-Y254 AromaticContact CE1-CE1 3.87Å; Y186-Y254 HydrophobicContact CE1-CE1 3.87Å; Y186-Y254 HydrophobicContact CE1-CG 4.49Å; Y186-Y254 AromaticContact CE2-CD1 3.96Å; Y186-Y254 HydrophobicContact CE2-CD1 3.96Å; Y186-Y254 AromaticContact CG-CD1 3.85Å; Y186-Y254 HydrophobicContact CG-CD1 3.85Å; Y186-Y254 HydrophobicContact CG-CG 4.18Å; Y186-Y254 AromaticContact CZ-CD1 3.67Å; N219-Y254 PolarHBondContact ND2-OH 2.88Å; N219-Y254 VanDerWaalsContact ND2-OH 3.13Å; Y221-Y254 HydrophobicContact CD2-CD2 4.11Å; Y221-Y254 AromaticContact CD2-CE2 3.65Å; Y221-Y254 HydrophobicContact CD2-CE2 3.65Å; Y221-Y254 HydrophobicContact CE2-CE2 4.45Å; Y221-Y254 AromaticContact CG-CD2 3.99Å; Y221-Y254 HydrophobicContact CG-CD2 3.99Å; Y221-Y254 HydrophobicContact CG-CE2 4.01Å; Y222-Y254 AromaticContact CD1-CD1 3.91Å; Y222-Y254 HydrophobicContact CD1-CD1 3.91Å; Y222-Y254 HydrophobicContact CD1-CD2 4.13Å; Y222-Y254 AromaticContact CD1-CE1 3.93Å; Y222-Y254 HydrophobicContact CD1-CE1 3.93Å; Y222-Y254 HydrophobicContact CD1-CE2 4.18Å; Y222-Y254 AromaticContact CD1-CG 4Å; Y222-Y254 HydrophobicContact CD1-CG 4Å; Y222-Y254 AromaticContact CE1-CD1 3.79Å; Y222-Y254 HydrophobicContact CE1-CD1 3.79Å; Y222-Y254 AromaticContact CE1-CE1 3.41Å; Y222-Y254 HydrophobicContact CE1-CE1 3.41Å; Y222-Y254 VanDerWaalsContact CE1-CE1 3.41Å; Y222-Y254 HydrophobicContact CE1-CE2 4.25Å; Y222-Y254 HydrophobicContact CE1-CG 4.32Å; Y222-Y254 AromaticContact CE1-CZ 3.69Å; I252-Y254 PolarHBondContact O-N 3.06Å; Y254-P256 HydrophobicContact CD1-CB 4.4Å; Y254-P256 HydrophobicContact CE1-CB 3.95Å; Y254-P256 WeakPolarHBondContact O-CD 3.28Å
255	N	93.9	Very high	94.6	Very high	58 Å²	58	74.4 Å²	74.4	31%	0.31	36%	0.364	S	S	.	.			trans	-96.2	110.6	170.9	-173.9	-3.6	0	0	0	109.7	Y257 P258 S473	N255-Y257 VanDerWaalsContact C-N 3.26Å; N255-Y257 PolarHBondContact O-N 3.09Å; N255-Y257 PolarHBondContact OD1-N 2.85Å; N255-P258 WeakPolarHBondContact ND2-CA 3.32Å; N255-S473 PolarHBondContact N-OG 2.78Å; N255-S473 VanDerWaalsContact N-OG 3.1Å
256	P	92	Very high	94.6	Very high	45 Å²	45	69.7 Å²	69.7	29%	0.292	33%	0.332	S	S	.	.	S	Bend	trans	-72	-17	177.4	29.9	-36.5	0	0	0	114.2	Y186 Y254 P258	Y186-P256 WeakPolarHBondContact OH-CB 3.46Å; Y186-P256 VanDerWaalsContact OH-CG 3.31Å; Y186-P256 WeakPolarHBondContact OH-CG 3.25Å; Y254-P256 HydrophobicContact CD1-CB 4.4Å; Y254-P256 HydrophobicContact CE1-CB 3.95Å; Y254-P256 WeakPolarHBondContact O-CD 3.28Å; P256-P258 VanDerWaalsContact C-CD 3.48Å
257	Y	91.4	Very high	94.6	Very high	154 Å²	154	66.8 Å²	66.8	60%	0.604	32%	0.315	S	S	*	.			trans	-130.8	62.1	-176.5	-50.9	-66.9	0	0	0	110.7	N255 I259 D260	N255-Y257 VanDerWaalsContact C-N 3.26Å; N255-Y257 PolarHBondContact O-N 3.09Å; N255-Y257 PolarHBondContact OD1-N 2.85Å; Y257-I259 PolarHBondContact O-N 3.13Å; Y257-I259 VanDerWaalsContact O-N 3.09Å; Y257-D260 WeakPolarHBondContact CB-OD2 3.4Å; Y257-D260 PolarHBondContact O-N 2.93Å
258	P	92	Very high	94.6	Very high	15 Å²	15	72.3 Å²	72.3	10%	0.097	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.1	-172.6	30.1	-36.6	0	0	0	114	N255 P256 H315 F472 L474	N255-P258 WeakPolarHBondContact ND2-CA 3.32Å; P256-P258 VanDerWaalsContact C-CD 3.48Å; P258-H315 PolarHBondContact O-CE1 3.2Å; P258-H315 VanDerWaalsContact O-CE1 3.28Å; P258-F472 WeakPolarHBondContact CB-O 3.45Å; P258-L474 HydrophobicContact CB-CD2 3.75Å; P258-L474 HydrophobicContact CG-CD2 3.91Å
259	I	90.8	Very high	94.5	Very high	17 Å²	17	65.7 Å²	65.7	9%	0.087	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-22	-174	-68.6	156.9	0	0	0	112.2	Y257 K261 H318 V364 Y365	Y257-I259 PolarHBondContact O-N 3.13Å; Y257-I259 VanDerWaalsContact O-N 3.09Å; I259-K261 VanDerWaalsContact C-N 3.34Å; I259-K261 PolarHBondContact O-N 3.22Å; I259-H318 VanDerWaalsContact CG2-NE2 3.32Å; I259-H318 WeakPolarHBondContact CG2-NE2 3.24Å; I259-H318 PolarHBondContact O-NE2 3.38Å; I259-V364 HydrophobicContact CD1-CB 4.06Å; I259-V364 HydrophobicContact CD1-CG1 3.19Å; I259-V364 HydrophobicContact CG1-CG1 4.47Å; I259-Y365 HydrophobicContact CD1-CD1 4.09Å; I259-Y365 HydrophobicContact CD1-CD2 3.72Å; I259-Y365 HydrophobicContact CD1-CE1 3.88Å; I259-Y365 HydrophobicContact CD1-CE2 3.47Å; I259-Y365 VanDerWaalsContact CD1-CE2 3.47Å; I259-Y365 HydrophobicContact CD1-CG 3.99Å; I259-Y365 HydrophobicContact CG1-CD1 4.12Å; I259-Y365 HydrophobicContact CG1-CE1 3.72Å; I259-Y365 HydrophobicContact CG1-CE2 4.21Å; I259-Y365 HydrophobicContact CG2-CD1 4.1Å; I259-Y365 HydrophobicContact CG2-CE1 4.42Å; I259-Y365 HydrophobicContact CG2-CG 4.49Å
260	D	90	Very high	94.5	Very high	107 Å²	107	60.1 Å²	60.1	57%	0.572	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-35.1	-175.2	-73	4.9	0	0	0	112.7	Y257 Q322	Y257-D260 WeakPolarHBondContact CB-OD2 3.4Å; Y257-D260 PolarHBondContact O-N 2.93Å; D260-Q322 PolarHBondContact O-NE2 3.31Å
261	K	90.5	Very high	94.4	Very high	109 Å²	109	63.8 Å²	63.8	47%	0.474	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	37.6	-179.1	-72.6	171.1	160.6	-81.9	0	111	I259 D263 E264 E265	I259-K261 VanDerWaalsContact C-N 3.34Å; I259-K261 PolarHBondContact O-N 3.22Å; K261-D263 VanDerWaalsContact C-N 3.28Å; K261-D263 PolarHBondContact O-N 3.05Å; K261-E264 HydrophobicContact CB-CB 4.36Å; K261-E264 IonicContact NZ-OE1 2.71Å; K261-E264 PolarHBondContact NZ-OE1 3.35Å; K261-E264 IonicContact NZ-OE2 3.08Å; K261-E264 PolarHBondContact NZ-OE2 3.38Å; K261-E264 PolarHBondContact O-N 2.97Å; K261-E265 PolarHBondContact O-N 3.31Å
262	A	94.8	Very high	94.4	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-40.8	-175.5	0	0	0	0	0	111.2	V266 H315 H318 A319	A262-V266 WeakPolarHBondContact O-CB 3.41Å; A262-V266 WeakPolarHBondContact O-CG2 3.2Å; A262-V266 PolarHBondContact O-N 3.19Å; A262-H315 WeakPolarHBondContact CB-CE1 3.49Å; A262-H318 VanDerWaalsContact CB-CD2 3.47Å; A262-H318 WeakPolarHBondContact CB-CD2 3.21Å; A262-A319 HydrophobicContact CB-CB 4.01Å
263	D	95.3	Very high	94.2	Very high	8 Å²	8	67.9 Å²	67.9	4%	0.043	32%	0.324	C	S	.	.	H	α-helix	trans	-60.5	-48.9	175.9	71.1	-46.3	0	0	0	112.8	K261 E265 Y267 A319 Q322 H323 H326	K261-D263 VanDerWaalsContact C-N 3.28Å; K261-D263 PolarHBondContact O-N 3.05Å; D263-E265 VanDerWaalsContact C-N 3.34Å; D263-E265 PolarHBondContact O-N 3.16Å; D263-Y267 HydrophobicContact CB-CD2 4.47Å; D263-Y267 VanDerWaalsContact O-CB 3.3Å; D263-Y267 WeakPolarHBondContact O-CB 3.49Å; D263-Y267 VanDerWaalsContact O-CD2 3.25Å; D263-Y267 WeakPolarHBondContact O-CD2 3.48Å; D263-Y267 PolarHBondContact O-N 3.49Å; D263-A319 WeakPolarHBondContact CB-O 3.25Å; D263-Q322 HydrophobicContact CB-CB 4.06Å; D263-Q322 HydrophobicContact CB-CG 3.94Å; D263-Q322 PolarHBondContact OD1-OE1 3.46Å; D263-H323 HydrophobicContact CB-CB 3.93Å; D263-H326 IonicContact OD1-CE1 3.89Å; D263-H326 IonicContact OD1-ND1 2.93Å; D263-H326 IonicContact OD2-CE1 3.51Å; D263-H326 PolarHBondContact OD2-CE1 3.48Å; D263-H326 IonicContact OD2-CG 2.69Å; D263-H326 IonicContact OD2-ND1 3.71Å; D263-H326 PolarHBondContact OD2-ND1 2.98Å
264	E	95.2	Very high	94.3	Very high	94 Å²	94	66.9 Å²	66.9	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-56.8	-48.7	179.6	-67.7	177.8	-153.3	0	0	111.1	K261 K268	K261-E264 HydrophobicContact CB-CB 4.36Å; K261-E264 IonicContact NZ-OE1 2.71Å; K261-E264 PolarHBondContact NZ-OE1 3.35Å; K261-E264 IonicContact NZ-OE2 3.08Å; K261-E264 PolarHBondContact NZ-OE2 3.38Å; K261-E264 PolarHBondContact O-N 2.97Å; E264-K268 WeakPolarHBondContact O-CB 3.49Å; E264-K268 PolarHBondContact O-N 2.93Å
265	E	95.3	Very high	94.3	Very high	69 Å²	69	67 Å²	67	32%	0.322	33%	0.326	S	S	.	.	H	α-helix	trans	-76.5	-40.9	-174.5	-72.2	-59.4	133.3	0	0	112.8	K261 D263 K268 L269 F472	K261-E265 PolarHBondContact O-N 3.31Å; D263-E265 VanDerWaalsContact C-N 3.34Å; D263-E265 PolarHBondContact O-N 3.16Å; E265-K268 PolarHBondContact O-N 2.99Å; E265-K268 IonicContact OE1-NZ 2.88Å; E265-K268 IonicContact OE2-NZ 3.33Å; E265-L269 PolarHBondContact O-N 2.81Å; E265-L269 VanDerWaalsContact O-N 3.07Å; E265-F472 HydrophobicContact CB-CD1 4.09Å; E265-F472 HydrophobicContact CB-CE1 3.71Å
266	V	97.6	Very high	94.4	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-68.2	-43.8	177.4	170.1	0	0	0	0	111.2	A262 K268 L269 C270 V281 L285 L316 A319 F468 F472	A262-V266 WeakPolarHBondContact O-CB 3.41Å; A262-V266 WeakPolarHBondContact O-CG2 3.2Å; A262-V266 PolarHBondContact O-N 3.19Å; V266-K268 VanDerWaalsContact C-N 3.32Å; V266-K268 PolarHBondContact O-N 3.2Å; V266-L269 WeakPolarHBondContact O-CB 3.34Å; V266-L269 PolarHBondContact O-N 3.13Å; V266-C270 PolarHBondContact O-N 2.86Å; V266-V281 HydrophobicContact CG1-CG1 3.98Å; V266-L285 HydrophobicContact CG1-CD1 4.07Å; V266-L285 HydrophobicContact CG1-CD2 4.15Å; V266-L285 HydrophobicContact CG1-CG 4.47Å; V266-L316 HydrophobicContact CG1-CD2 3.81Å; V266-A319 HydrophobicContact CB-CB 3.78Å; V266-A319 HydrophobicContact CG1-CB 4.01Å; V266-A319 HydrophobicContact CG2-CB 3.8Å; V266-F468 HydrophobicContact CG2-CE2 4.47Å; V266-F468 HydrophobicContact CG2-CZ 4.26Å; V266-F472 HydrophobicContact CG2-CE2 4.3Å; V266-F472 HydrophobicContact CG2-CZ 4.3Å
267	Y	97.3	Very high	94.6	Very high	22 Å²	22	68.5 Å²	68.5	9%	0.086	33%	0.331	C	S	.	.	H	α-helix	trans	-73.4	-25	178.2	-78.7	-100.8	0	0	0	112.4	D263 C270 K271 L285 E289 H323	D263-Y267 HydrophobicContact CB-CD2 4.47Å; D263-Y267 VanDerWaalsContact O-CB 3.3Å; D263-Y267 WeakPolarHBondContact O-CB 3.49Å; D263-Y267 VanDerWaalsContact O-CD2 3.25Å; D263-Y267 WeakPolarHBondContact O-CD2 3.48Å; D263-Y267 PolarHBondContact O-N 3.49Å; Y267-C270 WeakPolarHBondContact O-CB 3.41Å; Y267-C270 PolarHBondContact O-N 3.39Å; Y267-K271 VanDerWaalsContact O-CG 3.28Å; Y267-K271 WeakPolarHBondContact O-CG 3.42Å; Y267-K271 PolarHBondContact O-N 2.88Å; Y267-K271 VanDerWaalsContact O-N 3.15Å; Y267-L285 HydrophobicContact CD1-CD1 4.23Å; Y267-L285 HydrophobicContact CD2-CD1 4.41Å; Y267-L285 HydrophobicContact CE1-CD1 4.06Å; Y267-L285 HydrophobicContact CE2-CD1 4.26Å; Y267-L285 HydrophobicContact CE2-CD2 4.18Å; Y267-L285 HydrophobicContact CG-CD1 4.42Å; Y267-E289 WeakPolarHBondContact CE1-OE1 3.47Å; Y267-E289 PolarHBondContact OH-OE1 2.96Å; Y267-H323 HydrophobicContact CD2-CB 4.11Å; Y267-H323 AromaticContact CD2-CG 3.94Å; Y267-H323 AromaticContact CE1-CD2 3.47Å; Y267-H323 VanDerWaalsContact CE1-CD2 3.47Å; Y267-H323 WeakPolarHBondContact CE1-CD2 3.49Å; Y267-H323 AromaticContact CE1-CG 3.94Å; Y267-H323 AromaticContact CE1-NE2 3.8Å; Y267-H323 HydrophobicContact CE2-CB 3.4Å; Y267-H323 VanDerWaalsContact CE2-CB 3.4Å; Y267-H323 AromaticContact CE2-CD2 3.88Å; Y267-H323 AromaticContact CE2-CG 3.51Å; Y267-H323 AromaticContact CZ-CD2 3.34Å; Y267-H323 AromaticContact CZ-CG 3.49Å; Y267-H323 VanDerWaalsContact CZ-CG 3.49Å
268	K	96.6	Very high	94.9	Very high	119 Å²	119	61.2 Å²	61.2	52%	0.517	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-42.1	167.6	177.1	-176.5	174.1	-167.8	0	111.4	E264 E265 V266 K271	E264-K268 WeakPolarHBondContact O-CB 3.49Å; E264-K268 PolarHBondContact O-N 2.93Å; E265-K268 PolarHBondContact O-N 2.99Å; E265-K268 IonicContact OE1-NZ 2.88Å; E265-K268 IonicContact OE2-NZ 3.33Å; V266-K268 VanDerWaalsContact C-N 3.32Å; V266-K268 PolarHBondContact O-N 3.2Å; K268-K271 PolarHBondContact O-N 3.36Å
269	L	96.3	Very high	95.1	Very high	15 Å²	15	65.1 Å²	65.1	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-41.3	173.8	179.7	58.2	0	0	0	112	E265 V266 K271 Q272 L277 G278 V281 F468 F472	E265-L269 PolarHBondContact O-N 2.81Å; E265-L269 VanDerWaalsContact O-N 3.07Å; V266-L269 WeakPolarHBondContact O-CB 3.34Å; V266-L269 PolarHBondContact O-N 3.13Å; L269-K271 PolarHBondContact O-N 3.35Å; L269-Q272 WeakPolarHBondContact O-CB 3.4Å; L269-Q272 PolarHBondContact O-N 3.33Å; L269-L277 HydrophobicContact CD1-CD2 4.49Å; L269-L277 HydrophobicContact CD2-CD2 3.99Å; L269-L277 HydrophobicContact CD2-CG 4.11Å; L269-G278 VanDerWaalsContact O-CA 3.29Å; L269-G278 WeakPolarHBondContact O-CA 3.34Å; L269-V281 HydrophobicContact CD2-CG2 3.9Å; L269-V281 HydrophobicContact CG-CG2 4.25Å; L269-F468 HydrophobicContact CD2-CD2 4.15Å; L269-F468 HydrophobicContact CD2-CE2 4.48Å; L269-F472 HydrophobicContact CB-CZ 4.12Å; L269-F472 HydrophobicContact CD2-CE2 3.75Å; L269-F472 HydrophobicContact CD2-CZ 3.6Å
270	C	95.8	Very high	95.4	Very high	28 Å²	28	67.9 Å²	67.9	19%	0.189	33%	0.328	C	S	.	.	H	α-helix	trans	-53.3	-40.1	174	177.1	0	0	0	0	112.5	V266 Y267 Q272 V281 A282 L285	V266-C270 PolarHBondContact O-N 2.86Å; Y267-C270 WeakPolarHBondContact O-CB 3.41Å; Y267-C270 PolarHBondContact O-N 3.39Å; C270-Q272 PolarHBondContact O-N 2.91Å; C270-V281 HydrophobicContact CB-CG1 4.08Å; C270-A282 VanDerWaalsContact SG-CA 3.58Å; C270-A282 VanDerWaalsContact SG-CB 3.58Å; C270-L285 HydrophobicContact CB-CD1 3.76Å
271	K	96.1	Very high	95.8	Very high	161 Å²	161	62.8 Å²	62.8	70%	0.7	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.9	179.2	-70.6	168	-174.4	174.9	0	114.1	Y267 K268 L269 T273	Y267-K271 VanDerWaalsContact O-CG 3.28Å; Y267-K271 WeakPolarHBondContact O-CG 3.42Å; Y267-K271 PolarHBondContact O-N 2.88Å; Y267-K271 VanDerWaalsContact O-N 3.15Å; K268-K271 PolarHBondContact O-N 3.36Å; L269-K271 PolarHBondContact O-N 3.35Å; K271-T273 VanDerWaalsContact C-N 3.29Å; K271-T273 PolarHBondContact O-N 3.25Å
272	Q	95.5	Very high	96.2	Very high	90 Å²	90	59.2 Å²	59.2	42%	0.421	29%	0.291	S	S	.	.			trans	-80.7	74.8	176.8	-61.2	-179.8	2.5	0	0	110.8	L269 C270 E274 S275	L269-Q272 WeakPolarHBondContact O-CB 3.4Å; L269-Q272 PolarHBondContact O-N 3.33Å; C270-Q272 PolarHBondContact O-N 2.91Å; Q272-E274 PolarHBondContact O-N 2.72Å; Q272-E274 VanDerWaalsContact O-N 3.11Å; Q272-S275 WeakPolarHBondContact O-CB 3.49Å; Q272-S275 PolarHBondContact O-N 2.84Å
273	T	92.3	Very high	96.3	Very high	92 Å²	92	63.3 Å²	63.3	56%	0.564	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.2	-174.8	55.5	0	0	0	0	114.7	K271 K279	K271-T273 VanDerWaalsContact C-N 3.29Å; K271-T273 PolarHBondContact O-N 3.25Å; T273-K279 WeakPolarHBondContact O-CE 3.3Å
274	E	95.2	Very high	96.5	Very high	166 Å²	166	63 Å²	63	78%	0.776	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-21.2	175.8	-59.6	-50.6	135.4	0	0	112.9	Q272	Q272-E274 PolarHBondContact O-N 2.72Å; Q272-E274 VanDerWaalsContact O-N 3.11Å
275	S	95.9	Very high	96.6	Very high	39 Å²	39	58.7 Å²	58.7	27%	0.273	29%	0.287	S	S	.	.	S	Bend	trans	-81.4	132.3	179.6	176.3	0	0	0	0	111	Q272 L277 G278 K279	Q272-S275 WeakPolarHBondContact O-CB 3.49Å; Q272-S275 PolarHBondContact O-N 2.84Å; S275-L277 VanDerWaalsContact C-N 3.3Å; S275-L277 PolarHBondContact O-N 3.41Å; S275-L277 PolarHBondContact OG-N 3.49Å; S275-G278 PolarHBondContact O-N 3.21Å; S275-G278 PolarHBondContact OG-N 3.21Å; S275-K279 WeakPolarHBondContact O-CG 3.26Å; S275-K279 PolarHBondContact O-N 3.31Å
276	N	95.6	Very high	96.8	Very high	118 Å²	118	61.4 Å²	61.4	63%	0.631	30%	0.3	S	S	*	.	H	α-helix	trans	-57.8	-45.5	172.3	-75	-25.1	0	0	0	111	G278 K279 R280	N276-G278 VanDerWaalsContact C-N 3.34Å; N276-G278 PolarHBondContact O-N 3.47Å; N276-K279 PolarHBondContact O-N 3.44Å; N276-R280 WeakPolarHBondContact O-CG 3.44Å; N276-R280 PolarHBondContact O-N 3.41Å
277	L	96.5	Very high	96.8	Very high	16 Å²	16	61.7 Å²	61.7	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-42.1	177.1	-177.7	60.8	0	0	0	111.5	L269 S275 K279 R280 V281 W460 D464 N467 F468	L269-L277 HydrophobicContact CD1-CD2 4.49Å; L269-L277 HydrophobicContact CD2-CD2 3.99Å; L269-L277 HydrophobicContact CD2-CG 4.11Å; S275-L277 VanDerWaalsContact C-N 3.3Å; S275-L277 PolarHBondContact O-N 3.41Å; S275-L277 PolarHBondContact OG-N 3.49Å; L277-K279 PolarHBondContact O-N 3.29Å; L277-R280 PolarHBondContact O-N 3.1Å; L277-V281 HydrophobicContact CD1-CG2 4.29Å; L277-V281 HydrophobicContact CG-CG2 4.39Å; L277-V281 WeakPolarHBondContact O-CG2 3.44Å; L277-V281 PolarHBondContact O-N 3.28Å; L277-W460 HydrophobicContact CD1-CH2 4.34Å; L277-W460 HydrophobicContact CD1-CZ3 4.29Å; L277-D464 HydrophobicContact CD1-CB 4.05Å; L277-N467 HydrophobicContact CD2-CB 4.08Å; L277-F468 HydrophobicContact CD1-CB 4.31Å; L277-F468 HydrophobicContact CD2-CB 4.48Å
278	G	97.5	Very high	96.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.6	-45.6	175.3	0	0	0	0	0	112.6	L269 S275 N276 R280 V281 A282	L269-G278 VanDerWaalsContact O-CA 3.29Å; L269-G278 WeakPolarHBondContact O-CA 3.34Å; S275-G278 PolarHBondContact O-N 3.21Å; S275-G278 PolarHBondContact OG-N 3.21Å; N276-G278 VanDerWaalsContact C-N 3.34Å; N276-G278 PolarHBondContact O-N 3.47Å; G278-R280 PolarHBondContact O-N 2.97Å; G278-V281 PolarHBondContact O-N 2.88Å; G278-A282 WeakPolarHBondContact O-CB 3.42Å; G278-A282 PolarHBondContact O-N 3.04Å
279	K	97.8	Very high	96.9	Very high	98 Å²	98	57.7 Å²	57.7	43%	0.426	29%	0.286	S	S	.	.	H	α-helix	trans	-61.1	-41	174.8	-66.3	170.6	-169.2	171.6	0	112.6	T273 S275 N276 L277 A282 K283	T273-K279 WeakPolarHBondContact O-CE 3.3Å; S275-K279 WeakPolarHBondContact O-CG 3.26Å; S275-K279 PolarHBondContact O-N 3.31Å; N276-K279 PolarHBondContact O-N 3.44Å; L277-K279 PolarHBondContact O-N 3.29Å; K279-A282 PolarHBondContact O-N 2.86Å; K279-K283 PolarHBondContact O-N 3.31Å
280	R	97.3	Very high	96.9	Very high	75 Å²	75	62 Å²	62	28%	0.283	31%	0.305	S	S	.	.	H	α-helix	trans	-66.3	-46.2	177.3	-64.1	-56.3	-167.4	-169.5	7	111.3	N276 L277 G278 A282 K283 S284 E459	N276-R280 WeakPolarHBondContact O-CG 3.44Å; N276-R280 PolarHBondContact O-N 3.41Å; L277-R280 PolarHBondContact O-N 3.1Å; G278-R280 PolarHBondContact O-N 2.97Å; R280-A282 VanDerWaalsContact C-N 3.31Å; R280-A282 PolarHBondContact O-N 2.87Å; R280-K283 PolarHBondContact O-N 2.91Å; R280-S284 PolarHBondContact O-N 3.49Å; R280-S284 PolarHBondContact O-OG 3.18Å; R280-S284 VanDerWaalsContact O-OG 3.11Å; R280-E459 IonicContact CZ-OE2 2.62Å; R280-E459 PolarHBondContact NE-O 3.38Å; R280-E459 IonicContact NH1-OE2 2.67Å; R280-E459 PolarHBondContact NH1-OE2 3.06Å; R280-E459 PolarHBondContact NH2-O 3.04Å; R280-E459 VanDerWaalsContact NH2-O 3.13Å
281	V	98.3	Very high	97	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-44.4	175.6	170	0	0	0	0	110.7	V266 L269 C270 L277 G278 K283 S284 L285 L316 W460 F468	V266-V281 HydrophobicContact CG1-CG1 3.98Å; L269-V281 HydrophobicContact CD2-CG2 3.9Å; L269-V281 HydrophobicContact CG-CG2 4.25Å; C270-V281 HydrophobicContact CB-CG1 4.08Å; L277-V281 HydrophobicContact CD1-CG2 4.29Å; L277-V281 HydrophobicContact CG-CG2 4.39Å; L277-V281 WeakPolarHBondContact O-CG2 3.44Å; L277-V281 PolarHBondContact O-N 3.28Å; G278-V281 PolarHBondContact O-N 2.88Å; V281-K283 PolarHBondContact O-N 2.96Å; V281-S284 PolarHBondContact O-N 3.11Å; V281-L285 HydrophobicContact CG1-CD1 3.9Å; V281-L285 HydrophobicContact CG1-CG 4.28Å; V281-L285 WeakPolarHBondContact O-CG 3.4Å; V281-L285 PolarHBondContact O-N 3.36Å; V281-L316 HydrophobicContact CG1-CD2 4.12Å; V281-W460 HydrophobicContact CG2-CH2 4.08Å; V281-W460 HydrophobicContact CG2-CZ2 3.84Å; V281-F468 HydrophobicContact CG2-CD2 3.97Å; V281-F468 HydrophobicContact CG2-CE2 4Å
282	A	98.1	Very high	96.9	Very high	34 Å²	34	54.2 Å²	54.2	28%	0.281	27%	0.269	S	S	.	.	H	α-helix	trans	-58.2	-45.4	177.6	0	0	0	0	0	112.7	C270 G278 K279 R280 L285 Q286	C270-A282 VanDerWaalsContact SG-CA 3.58Å; C270-A282 VanDerWaalsContact SG-CB 3.58Å; G278-A282 WeakPolarHBondContact O-CB 3.42Å; G278-A282 PolarHBondContact O-N 3.04Å; K279-A282 PolarHBondContact O-N 2.86Å; R280-A282 VanDerWaalsContact C-N 3.31Å; R280-A282 PolarHBondContact O-N 2.87Å; A282-L285 PolarHBondContact O-N 3.42Å; A282-Q286 PolarHBondContact O-N 3.33Å
283	K	97.7	Very high	96.9	Very high	86 Å²	86	55.7 Å²	55.7	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-65.8	-40.1	175.9	-71.7	-175.8	173.5	-170.8	0	112.9	K279 R280 V281 Q286 C287 E459	K279-K283 PolarHBondContact O-N 3.31Å; R280-K283 PolarHBondContact O-N 2.91Å; V281-K283 PolarHBondContact O-N 2.96Å; K283-Q286 PolarHBondContact O-N 2.94Å; K283-C287 PolarHBondContact O-N 3.01Å; K283-C287 VanDerWaalsContact O-N 3.07Å; K283-E459 WeakPolarHBondContact CD-OE1 3.5Å; K283-E459 WeakPolarHBondContact CD-OE2 3.44Å; K283-E459 IonicContact NZ-OE1 3.9Å; K283-E459 PolarHBondContact NZ-OE1 3.07Å; K283-E459 IonicContact NZ-OE2 2.81Å; K283-E459 PolarHBondContact NZ-OE2 3.43Å
284	S	98.5	Very high	97.1	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.007	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-45.4	176.3	-60.9	0	0	0	0	111.4	R280 V281 C287 I288 P456 W460	R280-S284 PolarHBondContact O-N 3.49Å; R280-S284 PolarHBondContact O-OG 3.18Å; R280-S284 VanDerWaalsContact O-OG 3.11Å; V281-S284 PolarHBondContact O-N 3.11Å; S284-C287 PolarHBondContact O-N 3.27Å; S284-I288 WeakPolarHBondContact O-CD1 3.39Å; S284-I288 VanDerWaalsContact O-CG1 3.25Å; S284-I288 WeakPolarHBondContact O-CG1 3.22Å; S284-I288 PolarHBondContact O-N 3.09Å; S284-P456 WeakPolarHBondContact CB-O 3.39Å; S284-P456 PolarHBondContact OG-O 3.09Å; S284-W460 PolarHBondContact OG-NE1 3.07Å
285	L	98.4	Very high	97.1	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-43.4	175.9	-71.3	171.9	0	0	0	111.4	V266 Y267 C270 V281 A282 C287 I288 E289 L316 A320	V266-L285 HydrophobicContact CG1-CD1 4.07Å; V266-L285 HydrophobicContact CG1-CD2 4.15Å; V266-L285 HydrophobicContact CG1-CG 4.47Å; Y267-L285 HydrophobicContact CD1-CD1 4.23Å; Y267-L285 HydrophobicContact CD2-CD1 4.41Å; Y267-L285 HydrophobicContact CE1-CD1 4.06Å; Y267-L285 HydrophobicContact CE2-CD1 4.26Å; Y267-L285 HydrophobicContact CE2-CD2 4.18Å; Y267-L285 HydrophobicContact CG-CD1 4.42Å; C270-L285 HydrophobicContact CB-CD1 3.76Å; V281-L285 HydrophobicContact CG1-CD1 3.9Å; V281-L285 HydrophobicContact CG1-CG 4.28Å; V281-L285 WeakPolarHBondContact O-CG 3.4Å; V281-L285 PolarHBondContact O-N 3.36Å; A282-L285 PolarHBondContact O-N 3.42Å; L285-C287 VanDerWaalsContact C-N 3.32Å; L285-C287 PolarHBondContact O-N 3.03Å; L285-I288 PolarHBondContact O-N 3.33Å; L285-I288 VanDerWaalsContact O-N 3.16Å; L285-E289 WeakPolarHBondContact O-CB 3.38Å; L285-E289 VanDerWaalsContact O-CG 3.27Å; L285-E289 WeakPolarHBondContact O-CG 3.46Å; L285-E289 PolarHBondContact O-N 3.48Å; L285-L316 HydrophobicContact CD2-CD2 4.43Å; L285-A320 HydrophobicContact CD2-CB 4.23Å
286	Q	98	Very high	96.9	Very high	126 Å²	126	51.9 Å²	51.9	59%	0.589	25%	0.253	S	S	*	.	H	α-helix	trans	-55.7	-46.7	175	-176.9	-175.7	0.8	0	0	111.8	A282 K283 E290	A282-Q286 PolarHBondContact O-N 3.33Å; K283-Q286 PolarHBondContact O-N 2.94Å; Q286-E290 WeakPolarHBondContact O-CB 3.3Å; Q286-E290 PolarHBondContact O-N 3.32Å
287	C	98.3	Very high	96.4	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-40.8	177.6	176.8	0	0	0	0	112.5	K283 S284 L285 A291 Y440 M441 P456	K283-C287 PolarHBondContact O-N 3.01Å; K283-C287 VanDerWaalsContact O-N 3.07Å; S284-C287 PolarHBondContact O-N 3.27Å; L285-C287 VanDerWaalsContact C-N 3.32Å; L285-C287 PolarHBondContact O-N 3.03Å; C287-A291 PolarHBondContact O-N 3.19Å; C287-Y440 HydrophobicContact CB-CD1 3.87Å; C287-Y440 HydrophobicContact CB-CE1 4.42Å; C287-M441 WeakPolarHBondContact O-CE 3.35Å; C287-P456 HydrophobicContact CB-CB 4.36Å
288	I	98.3	Very high	96.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66.3	-49.4	178.7	-70.2	164.1	0	0	0	110.6	S284 L285 E290 A291 L292 L313 L316 I317 A320 F425 P456	S284-I288 WeakPolarHBondContact O-CD1 3.39Å; S284-I288 VanDerWaalsContact O-CG1 3.25Å; S284-I288 WeakPolarHBondContact O-CG1 3.22Å; S284-I288 PolarHBondContact O-N 3.09Å; L285-I288 PolarHBondContact O-N 3.33Å; L285-I288 VanDerWaalsContact O-N 3.16Å; I288-E290 VanDerWaalsContact C-N 3.33Å; I288-E290 PolarHBondContact O-N 2.85Å; I288-A291 WeakPolarHBondContact O-CB 3.2Å; I288-A291 PolarHBondContact O-N 3.29Å; I288-A291 VanDerWaalsContact O-N 3.14Å; I288-L292 HydrophobicContact CG2-CD1 3.72Å; I288-L292 HydrophobicContact CG2-CG 4.19Å; I288-L292 WeakPolarHBondContact O-CG 3.34Å; I288-L292 PolarHBondContact O-N 3.47Å; I288-L313 HydrophobicContact CD1-CD1 4.34Å; I288-L316 HydrophobicContact CD1-CB 3.6Å; I288-I317 HydrophobicContact CD1-CG1 3.99Å; I288-I317 HydrophobicContact CG1-CG1 4.19Å; I288-I317 HydrophobicContact CG2-CG1 4.15Å; I288-A320 HydrophobicContact CG2-CB 3.67Å; I288-F425 HydrophobicContact CB-CE1 4.5Å; I288-F425 HydrophobicContact CG1-CE1 4.11Å; I288-P456 HydrophobicContact CD1-CB 4.02Å; I288-P456 HydrophobicContact CD1-CG 4.12Å; I288-P456 HydrophobicContact CG1-CB 3.83Å; I288-P456 HydrophobicContact CG1-CG 3.53Å
289	E	97.1	Very high	96.1	Very high	57 Å²	57	53.1 Å²	53.1	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-61.7	-40.6	178.9	-71.3	172	175.3	0	0	111.6	Y267 L285 A291 L292 N293	Y267-E289 WeakPolarHBondContact CE1-OE1 3.47Å; Y267-E289 PolarHBondContact OH-OE1 2.96Å; L285-E289 WeakPolarHBondContact O-CB 3.38Å; L285-E289 VanDerWaalsContact O-CG 3.27Å; L285-E289 WeakPolarHBondContact O-CG 3.46Å; L285-E289 PolarHBondContact O-N 3.48Å; E289-A291 VanDerWaalsContact C-N 3.31Å; E289-A291 PolarHBondContact O-N 3.18Å; E289-L292 PolarHBondContact O-N 3.18Å; E289-N293 VanDerWaalsContact O-CB 3.28Å; E289-N293 WeakPolarHBondContact O-CB 3.43Å; E289-N293 PolarHBondContact O-N 3Å; E289-N293 PolarHBondContact O-ND2 2.77Å; E289-N293 VanDerWaalsContact O-ND2 3.1Å
290	E	97.5	Very high	96	Very high	105 Å²	105	48.4 Å²	48.4	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-58	-43.9	173.7	-176.2	-177.8	166.4	0	0	111.5	Q286 I288 K294 M441	Q286-E290 WeakPolarHBondContact O-CB 3.3Å; Q286-E290 PolarHBondContact O-N 3.32Å; I288-E290 VanDerWaalsContact C-N 3.33Å; I288-E290 PolarHBondContact O-N 2.85Å; E290-K294 VanDerWaalsContact O-CB 3.28Å; E290-K294 WeakPolarHBondContact O-CB 3.25Å; E290-K294 PolarHBondContact O-N 2.86Å; E290-M441 HydrophobicContact CB-CE 3.94Å; E290-M441 HydrophobicContact CG-CE 3.9Å
291	A	97.4	Very high	96	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.5	-46.5	177.1	0	0	0	0	0	112.4	C287 I288 E289 N293 K294 Y295 F425 M441 I454	C287-A291 PolarHBondContact O-N 3.19Å; I288-A291 WeakPolarHBondContact O-CB 3.2Å; I288-A291 PolarHBondContact O-N 3.29Å; I288-A291 VanDerWaalsContact O-N 3.14Å; E289-A291 VanDerWaalsContact C-N 3.31Å; E289-A291 PolarHBondContact O-N 3.18Å; A291-N293 VanDerWaalsContact C-N 3.27Å; A291-N293 PolarHBondContact O-N 3.19Å; A291-K294 PolarHBondContact O-N 3.35Å; A291-K294 VanDerWaalsContact O-N 3.13Å; A291-Y295 WeakPolarHBondContact O-CD2 3.32Å; A291-Y295 PolarHBondContact O-N 2.87Å; A291-F425 HydrophobicContact CB-CE1 3.96Å; A291-F425 HydrophobicContact CB-CZ 3.71Å; A291-M441 HydrophobicContact CB-CE 3.89Å; A291-I454 HydrophobicContact CB-CD1 3.83Å; A291-I454 HydrophobicContact CB-CG2 4.25Å
292	L	95.1	Very high	96	Very high	26 Å²	26	44.9 Å²	44.9	14%	0.136	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-31.7	179.4	-68.7	175.2	0	0	0	112.6	I288 E289 Y295 L300 A320 I321	I288-L292 HydrophobicContact CG2-CD1 3.72Å; I288-L292 HydrophobicContact CG2-CG 4.19Å; I288-L292 WeakPolarHBondContact O-CG 3.34Å; I288-L292 PolarHBondContact O-N 3.47Å; E289-L292 PolarHBondContact O-N 3.18Å; L292-Y295 VanDerWaalsContact O-O 3.13Å; L292-L300 HydrophobicContact CD2-CD1 3.98Å; L292-A320 HydrophobicContact CD1-CB 4.02Å; L292-I321 HydrophobicContact CD1-CG1 3.72Å; L292-I321 HydrophobicContact CD2-CD1 4.32Å; L292-I321 HydrophobicContact CD2-CG1 4.15Å
293	N	94.7	Very high	95.9	Very high	122 Å²	122	44.9 Å²	44.9	65%	0.652	23%	0.226	S	C	*	.	H	α-helix	trans	-77.3	-24	176.1	-70.3	-25.5	0	0	0	112.7	E289 A291 Q324	E289-N293 VanDerWaalsContact O-CB 3.28Å; E289-N293 WeakPolarHBondContact O-CB 3.43Å; E289-N293 PolarHBondContact O-N 3Å; E289-N293 PolarHBondContact O-ND2 2.77Å; E289-N293 VanDerWaalsContact O-ND2 3.1Å; A291-N293 VanDerWaalsContact C-N 3.27Å; A291-N293 PolarHBondContact O-N 3.19Å; N293-Q324 PolarHBondContact OD1-NE2 3.07Å
294	K	95.8	Very high	95.9	Very high	129 Å²	129	41 Å²	41	56%	0.561	21%	0.209	S	C	*	.	H	α-helix	trans	-93.8	-28.9	-175.2	-174.6	174.5	178.7	-173.7	0	113.5	E290 A291	E290-K294 VanDerWaalsContact O-CB 3.28Å; E290-K294 WeakPolarHBondContact O-CB 3.25Å; E290-K294 PolarHBondContact O-N 2.86Å; A291-K294 PolarHBondContact O-N 3.35Å; A291-K294 VanDerWaalsContact O-N 3.13Å
295	Y	95.4	Very high	95.6	Very high	42 Å²	42	45.2 Å²	45.2	17%	0.165	23%	0.232	C	C	.	.	S	Bend	trans	-128.4	144.3	-174.9	-57.8	-76.6	0	0	0	110.5	A291 L292 L300 R422 L452	A291-Y295 WeakPolarHBondContact O-CD2 3.32Å; A291-Y295 PolarHBondContact O-N 2.87Å; L292-Y295 VanDerWaalsContact O-O 3.13Å; Y295-L300 HydrophobicContact CD2-CD2 4.01Å; Y295-L300 HydrophobicContact CG-CD2 4.08Å; Y295-R422 HydrophobicContact CD1-CB 3.91Å; Y295-R422 HydrophobicContact CD1-CG 4.31Å; Y295-R422 HydrophobicContact CE1-CB 3.9Å; Y295-R422 HydrophobicContact CE1-CG 4.44Å; Y295-L452 HydrophobicContact CE2-CD2 3.92Å; Y295-L452 WeakPolarHBondContact OH-CD2 3.35Å
296	S	91.1	Very high	95.4	Very high	45 Å²	45	45.1 Å²	45.1	32%	0.315	23%	0.232	S	C	.	.			trans	-68.1	162.1	172.6	62.1	0	0	0	0	112.1	S298 E299 L300	S296-S298 PolarHBondContact O-N 2.77Å; S296-S298 PolarHBondContact OG-OG 3.12Å; S296-E299 WeakPolarHBondContact CB-OE2 3.45Å; S296-E299 PolarHBondContact N-OE2 2.91Å; S296-E299 PolarHBondContact O-N 2.48Å; S296-E299 VanDerWaalsContact OG-CG 3.24Å; S296-E299 WeakPolarHBondContact OG-CG 3.47Å; S296-E299 PolarHBondContact OG-N 2.84Å; S296-E299 PolarHBondContact OG-OE2 3.1Å; S296-L300 PolarHBondContact O-N 3.22Å
297	D	86.6	Confident	95.3	Very high	56 Å²	56	39.4 Å²	39.4	30%	0.299	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57	-32.9	173.5	65.3	-34.4	0	0	0	112.5	E299 R338	D297-E299 VanDerWaalsContact C-N 3.35Å; D297-R338 WeakPolarHBondContact OD2-CD 3.37Å; D297-R338 IonicContact OD2-CZ 3.81Å; D297-R338 IonicContact OD2-NE 3.92Å; D297-R338 IonicContact OD2-NH1 3.84Å; D297-R338 PolarHBondContact OD2-NH1 3.07Å
298	S	90.4	Very high	95.3	Very high	50 Å²	50	39.1 Å²	39.1	35%	0.35	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-73.4	-19.1	174.9	50.5	0	0	0	0	115	S296 E420 I421	S296-S298 PolarHBondContact O-N 2.77Å; S296-S298 PolarHBondContact OG-OG 3.12Å; S298-E420 WeakPolarHBondContact O-CG 3.45Å; S298-I421 WeakPolarHBondContact O-CD1 3.25Å
299	E	95.6	Very high	95.3	Very high	54 Å²	54	40.2 Å²	40.2	25%	0.252	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-94.9	-4.6	179.7	-72	172.1	112.9	0	0	112.7	S296 D297 R422 G423	S296-E299 WeakPolarHBondContact CB-OE2 3.45Å; S296-E299 PolarHBondContact N-OE2 2.91Å; S296-E299 PolarHBondContact O-N 2.48Å; S296-E299 VanDerWaalsContact OG-CG 3.24Å; S296-E299 WeakPolarHBondContact OG-CG 3.47Å; S296-E299 PolarHBondContact OG-N 2.84Å; S296-E299 PolarHBondContact OG-OE2 3.1Å; D297-E299 VanDerWaalsContact C-N 3.35Å; E299-R422 HydrophobicContact CB-CB 4.34Å; E299-R422 HydrophobicContact CB-CG 4.01Å; E299-R422 HydrophobicContact CG-CG 4.09Å; E299-R422 PolarHBondContact O-N 2.94Å; E299-G423 PolarHBondContact O-N 2.93Å; E299-G423 VanDerWaalsContact O-N 3.14Å
300	L	96.7	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148.3	-177.3	-66.4	173.1	0	0	0	111.3	L292 Y295 S296 P340 G423 F425 I454	L292-L300 HydrophobicContact CD2-CD1 3.98Å; Y295-L300 HydrophobicContact CD2-CD2 4.01Å; Y295-L300 HydrophobicContact CG-CD2 4.08Å; S296-L300 PolarHBondContact O-N 3.22Å; L300-P340 HydrophobicContact CB-CB 3.82Å; L300-P340 HydrophobicContact CB-CG 3.95Å; L300-P340 WeakPolarHBondContact O-CB 3.39Å; L300-G423 CarbonylContact C-O 3.49Å; L300-G423 WeakPolarHBondContact CA-O 3.37Å; L300-F425 HydrophobicContact CB-CE2 4.37Å; L300-F425 HydrophobicContact CD1-CE2 3.97Å; L300-F425 HydrophobicContact CD1-CZ 4.4Å; L300-F425 HydrophobicContact CD2-CE2 4.36Å; L300-F425 HydrophobicContact CG-CE2 4.47Å; L300-I454 HydrophobicContact CD2-CD1 3.8Å
301	V	97.1	Very high	95.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.4	172.4	68.4	0	0	0	0	110.6	K341 L343 F414 I421 G423 A424 F425 I451	V301-K341 CarbonylContact C-O 3.59Å; V301-K341 WeakPolarHBondContact CA-O 3.27Å; V301-K341 HydrophobicContact CG2-CB 4.31Å; V301-K341 VanDerWaalsContact CG2-O 3.25Å; V301-K341 WeakPolarHBondContact CG2-O 3.36Å; V301-L343 HydrophobicContact CG2-CB 3.49Å; V301-L343 VanDerWaalsContact CG2-CB 3.49Å; V301-F414 HydrophobicContact CB-CE1 4.33Å; V301-F414 HydrophobicContact CB-CZ 4.15Å; V301-F414 HydrophobicContact CG1-CE1 4.15Å; V301-F414 HydrophobicContact CG1-CZ 4.47Å; V301-F414 HydrophobicContact CG2-CE1 4.1Å; V301-F414 HydrophobicContact CG2-CZ 3.71Å; V301-I421 HydrophobicContact CB-CD1 4.27Å; V301-I421 HydrophobicContact CB-CG2 4.32Å; V301-I421 HydrophobicContact CG1-CG2 3.91Å; V301-G423 PolarHBondContact N-O 2.98Å; V301-A424 HydrophobicContact CG1-CB 3.62Å; V301-A424 CarbonylContact O-C 3.52Å; V301-A424 WeakPolarHBondContact O-CA 3.28Å; V301-F425 PolarHBondContact O-N 2.96Å; V301-I451 HydrophobicContact CG1-CD1 4.18Å
302	I	97.6	Very high	95.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.1	172.5	-54.6	177.2	0	0	0	108	F304 L314 I317 L339 P340 K341 L343 F425	I302-F304 PolarHBondContact O-N 2.9Å; I302-L314 HydrophobicContact CD1-CD1 3.75Å; I302-L314 HydrophobicContact CG2-CD1 4.44Å; I302-I317 HydrophobicContact CD1-CB 4.41Å; I302-I317 HydrophobicContact CD1-CD1 3.88Å; I302-I317 HydrophobicContact CD1-CG2 3.98Å; I302-I317 HydrophobicContact CG1-CD1 3.93Å; I302-I317 HydrophobicContact CG2-CD1 4.34Å; I302-L339 HydrophobicContact CD1-CD2 4.15Å; I302-P340 HydrophobicContact CG1-CB 4.25Å; I302-K341 PolarHBondContact N-O 2.97Å; I302-L343 PolarHBondContact O-N 2.96Å; I302-F425 HydrophobicContact CG1-CD2 4.24Å
303	C	97.5	Very high	95.5	Very high	35 Å²	35	31.6 Å²	31.6	24%	0.236	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	111.7	172.8	-62.3	0	0	0	0	109	F425 M426	C303-F425 WeakPolarHBondContact CB-O 3.35Å; C303-F425 PolarHBondContact N-O 2.94Å; C303-M426 HydrophobicContact CB-CG 4.44Å
304	F	96.2	Very high	95.6	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.018	14%	0.139	C	C	.	.			trans	-121.9	131.9	-177.5	-170.3	-97.8	0	0	0	109.8	I302 C310 L314 L342 L343 Y344 F357 V358 T361	I302-F304 PolarHBondContact O-N 2.9Å; F304-C310 HydrophobicContact CD2-CB 3.88Å; F304-C310 WeakPolarHBondContact CD2-SG 3.06Å; F304-C310 HydrophobicContact CE2-CB 4.36Å; F304-C310 VanDerWaalsContact CE2-SG 3.53Å; F304-L314 HydrophobicContact CD2-CB 4.5Å; F304-L314 HydrophobicContact CD2-CD2 4.25Å; F304-L314 HydrophobicContact CE2-CD2 4.09Å; F304-L342 HydrophobicContact CB-CD1 3.76Å; F304-L342 HydrophobicContact CB-CD2 3.86Å; F304-L342 HydrophobicContact CB-CG 3.72Å; F304-L342 HydrophobicContact CD1-CD1 4.3Å; F304-L342 HydrophobicContact CD1-CD2 4.43Å; F304-L342 HydrophobicContact CG-CD1 3.95Å; F304-L342 HydrophobicContact CG-CD2 4.46Å; F304-L342 HydrophobicContact CG-CG 4.41Å; F304-L343 PolarHBondContact N-O 3.45Å; F304-Y344 VanDerWaalsContact O-CD2 3.26Å; F304-Y344 WeakPolarHBondContact O-CD2 3.47Å; F304-F357 AromaticContact CZ-CE1 3.92Å; F304-F357 HydrophobicContact CZ-CE1 3.92Å; F304-V358 HydrophobicContact CD1-CG1 4.35Å; F304-V358 HydrophobicContact CD1-CG2 4.11Å; F304-V358 HydrophobicContact CE1-CB 4.36Å; F304-V358 HydrophobicContact CE1-CG1 4.45Å; F304-V358 HydrophobicContact CE1-CG2 3.84Å; F304-T361 HydrophobicContact CE1-CG2 4.15Å; F304-T361 HydrophobicContact CE2-CG2 4.15Å; F304-T361 HydrophobicContact CZ-CG2 3.66Å
305	N	93.1	Very high	95.7	Very high	90 Å²	90	19.7 Å²	19.7	48%	0.481	11%	0.112	S	C	.	.			trans	-125.7	10.1	-178.9	69.6	-13.5	0	0	0	113.2	G307 C310 T354	N305-G307 PolarHBondContact O-N 3.04Å; N305-G307 PolarHBondContact OD1-N 3.49Å; N305-G307 VanDerWaalsContact OD1-N 3.07Å; N305-C310 PolarHBondContact N-SG 2.83Å; N305-C310 VanDerWaalsContact N-SG 3.4Å; N305-C310 PolarHBondContact OD1-SG 3.29Å; N305-T354 WeakPolarHBondContact O-CG2 3.48Å
306	G	93.8	Very high	95.9	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	10%	0.104	C	C	.	.	S	Bend	trans	75.8	5.9	-175.9	0	0	0	0	0	114.9	F357	G306-F357 WeakPolarHBondContact O-CD1 3.32Å; G306-F357 VanDerWaalsContact O-CE1 3.25Å; G306-F357 WeakPolarHBondContact O-CE1 3.47Å
307	G	95.9	Very high	96.2	Very high	5 Å²	5	15.5 Å²	15.5	5%	0.052	9%	0.089	C	C	.	.	S	Bend	trans	-79.6	163.3	175.1	0	0	0	0	0	113.8	N305 D309 C310 T311 Y480	N305-G307 PolarHBondContact O-N 3.04Å; N305-G307 PolarHBondContact OD1-N 3.49Å; N305-G307 VanDerWaalsContact OD1-N 3.07Å; G307-D309 VanDerWaalsContact C-N 3.29Å; G307-D309 PolarHBondContact O-N 3.01Å; G307-C310 PolarHBondContact N-SG 3.17Å; G307-C310 PolarHBondContact O-SG 2.78Å; G307-T311 WeakPolarHBondContact O-CB 3.31Å; G307-T311 PolarHBondContact O-N 2.87Å; G307-T311 VanDerWaalsContact O-N 3.14Å; G307-T311 PolarHBondContact O-OG1 3.38Å; G307-Y480 WeakPolarHBondContact CA-OH 3.24Å
308	K	97.7	Very high	96.6	Very high	1 Å²	1	14 Å²	14	0%	0.004	8%	0.08	C	C	.	.	H	α-helix	trans	-58.1	-38.8	177.4	67.6	177.8	-163.7	-52.1	0	112.9	T311 A312 Y462 V465 W466 L469 Y480 E522	K308-T311 WeakPolarHBondContact O-CB 2.79Å; K308-T311 PolarHBondContact O-N 2.85Å; K308-A312 PolarHBondContact O-N 3.07Å; K308-Y462 HydrophobicContact CD-CE2 4.35Å; K308-Y462 VanDerWaalsContact CE-CE2 3.48Å; K308-V465 HydrophobicContact CB-CG1 4.04Å; K308-V465 HydrophobicContact CD-CG1 4Å; K308-V465 HydrophobicContact CG-CG1 3.81Å; K308-W466 HydrophobicContact CB-CH2 4.23Å; K308-W466 HydrophobicContact CB-CZ2 4.36Å; K308-W466 HydrophobicContact CD-CD2 4.33Å; K308-W466 HydrophobicContact CD-CH2 4.24Å; K308-W466 HydrophobicContact CD-CZ2 3.52Å; K308-L469 HydrophobicContact CB-CD1 3.69Å; K308-Y480 HydrophobicContact CB-CE1 4.37Å; K308-Y480 HydrophobicContact CB-CE2 3.98Å; K308-Y480 HydrophobicContact CD-CE1 4.14Å; K308-Y480 HydrophobicContact CG-CE1 4.28Å; K308-Y480 PolarHBondContact N-OH 3.46Å; K308-E522 IonicContact NZ-OE1 3.22Å; K308-E522 PolarHBondContact NZ-OE1 2.79Å
309	D	98.1	Very high	96.9	Very high	22 Å²	22	11.7 Å²	11.7	12%	0.118	6%	0.064	C	C	.	.	H	α-helix	trans	-71.3	-48.5	-173.6	-52.1	-89.1	0	0	0	111.5	G307 T311 A312 L313 G427 R429 L457	G307-D309 VanDerWaalsContact C-N 3.29Å; G307-D309 PolarHBondContact O-N 3.01Å; D309-T311 VanDerWaalsContact C-N 3.26Å; D309-T311 PolarHBondContact O-N 3.4Å; D309-A312 PolarHBondContact O-N 2.8Å; D309-L313 PolarHBondContact O-N 3.1Å; D309-G427 WeakPolarHBondContact CB-O 3.36Å; D309-R429 WeakPolarHBondContact OD1-CD 3.4Å; D309-R429 IonicContact OD1-CZ 2.63Å; D309-R429 IonicContact OD1-NE 3.97Å; D309-R429 PolarHBondContact OD1-NE 2.97Å; D309-R429 IonicContact OD1-NH2 3.79Å; D309-L457 HydrophobicContact CB-CD1 4.49Å; D309-L457 WeakPolarHBondContact O-CD1 3.42Å
310	C	97.2	Very high	96.9	Very high	5 Å²	5	9.1 Å²	9.1	3%	0.034	5%	0.052	C	C	.	.	H	α-helix	trans	-69.4	-24.1	175.9	67.1	0	0	0	0	112.7	F304 N305 G307 L313 L314	F304-C310 HydrophobicContact CD2-CB 3.88Å; F304-C310 WeakPolarHBondContact CD2-SG 3.06Å; F304-C310 HydrophobicContact CE2-CB 4.36Å; F304-C310 VanDerWaalsContact CE2-SG 3.53Å; N305-C310 PolarHBondContact N-SG 2.83Å; N305-C310 VanDerWaalsContact N-SG 3.4Å; N305-C310 PolarHBondContact OD1-SG 3.29Å; G307-C310 PolarHBondContact N-SG 3.17Å; G307-C310 PolarHBondContact O-SG 2.78Å; C310-L313 PolarHBondContact O-N 2.73Å; C310-L314 VanDerWaalsContact O-CB 3.32Å; C310-L314 WeakPolarHBondContact O-CB 2.89Å; C310-L314 PolarHBondContact O-N 3.48Å
311	T	97.8	Very high	96.8	Very high	3 Å²	3	10 Å²	10	2%	0.018	6%	0.056	C	C	.	.	H	α-helix	trans	-67	-46.3	171.4	-56.7	0	0	0	0	111.4	G307 K308 D309 L313 L314 H315 F357 L469	G307-T311 WeakPolarHBondContact O-CB 3.31Å; G307-T311 PolarHBondContact O-N 2.87Å; G307-T311 VanDerWaalsContact O-N 3.14Å; G307-T311 PolarHBondContact O-OG1 3.38Å; K308-T311 WeakPolarHBondContact O-CB 2.79Å; K308-T311 PolarHBondContact O-N 2.85Å; D309-T311 VanDerWaalsContact C-N 3.26Å; D309-T311 PolarHBondContact O-N 3.4Å; T311-L313 VanDerWaalsContact C-N 3.32Å; T311-L313 PolarHBondContact O-N 2.63Å; T311-L314 PolarHBondContact O-N 3.49Å; T311-H315 PolarHBondContact O-N 3.16Å; T311-H315 VanDerWaalsContact O-N 3.11Å; T311-F357 HydrophobicContact CG2-CZ 4.1Å; T311-F357 WeakPolarHBondContact OG1-CE1 3.07Å; T311-L469 HydrophobicContact CG2-CD2 3.89Å
312	A	98.4	Very high	96.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.5	-44	173.9	0	0	0	0	0	111.2	K308 D309 H315 L316 L457 W460 V465 F468 L469	K308-A312 PolarHBondContact O-N 3.07Å; D309-A312 PolarHBondContact O-N 2.8Å; A312-H315 PolarHBondContact O-N 3.19Å; A312-L316 WeakPolarHBondContact O-CG 3.4Å; A312-L316 PolarHBondContact O-N 2.7Å; A312-L457 HydrophobicContact CB-CD1 4.5Å; A312-W460 HydrophobicContact CB-CZ3 4.35Å; A312-V465 HydrophobicContact CB-CG1 4.44Å; A312-F468 HydrophobicContact CB-CD1 3.81Å; A312-F468 HydrophobicContact CB-CE1 4.08Å; A312-L469 HydrophobicContact CB-CD2 4.07Å
313	L	98.5	Very high	96.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-48	176.7	177.5	58.9	0	0	0	112.9	I288 D309 C310 T311 H315 L316 I317 F425 M426 P456 L457	I288-L313 HydrophobicContact CD1-CD1 4.34Å; D309-L313 PolarHBondContact O-N 3.1Å; C310-L313 PolarHBondContact O-N 2.73Å; T311-L313 VanDerWaalsContact C-N 3.32Å; T311-L313 PolarHBondContact O-N 2.63Å; L313-H315 PolarHBondContact O-N 3.28Å; L313-L316 PolarHBondContact O-N 2.73Å; L313-I317 HydrophobicContact CD1-CD1 3.81Å; L313-I317 HydrophobicContact CD1-CG1 4.09Å; L313-I317 HydrophobicContact CG-CD1 3.82Å; L313-I317 HydrophobicContact CG-CG1 4.5Å; L313-I317 WeakPolarHBondContact O-CG1 3.45Å; L313-I317 PolarHBondContact O-N 2.61Å; L313-F425 HydrophobicContact CD2-CB 4.1Å; L313-M426 WeakPolarHBondContact CD2-O 3.45Å; L313-P456 HydrophobicContact CD1-CB 4.05Å; L313-P456 HydrophobicContact CD1-CG 3.64Å; L313-L457 HydrophobicContact CB-CD1 3.99Å; L313-L457 HydrophobicContact CB-CG 4.38Å
314	L	97.7	Very high	96	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57	-42.7	178.3	176.3	61.1	0	0	0	110.8	I302 F304 C310 T311 I317 H318 L342 T361 Y365	I302-L314 HydrophobicContact CD1-CD1 3.75Å; I302-L314 HydrophobicContact CG2-CD1 4.44Å; F304-L314 HydrophobicContact CD2-CB 4.5Å; F304-L314 HydrophobicContact CD2-CD2 4.25Å; F304-L314 HydrophobicContact CE2-CD2 4.09Å; C310-L314 VanDerWaalsContact O-CB 3.32Å; C310-L314 WeakPolarHBondContact O-CB 2.89Å; C310-L314 PolarHBondContact O-N 3.48Å; T311-L314 PolarHBondContact O-N 3.49Å; L314-I317 PolarHBondContact O-N 2.84Å; L314-H318 WeakPolarHBondContact O-CB 3.43Å; L314-H318 PolarHBondContact O-N 2.75Å; L314-L342 HydrophobicContact CD2-CD1 4.42Å; L314-T361 HydrophobicContact CD2-CG2 3.49Å; L314-T361 VanDerWaalsContact CD2-CG2 3.49Å; L314-Y365 HydrophobicContact CD2-CD2 3.78Å; L314-Y365 HydrophobicContact CD2-CE2 3.86Å; L314-Y365 HydrophobicContact CD2-CG 4.15Å; L314-Y365 HydrophobicContact CG-CD1 4.17Å; L314-Y365 HydrophobicContact CG-CD2 4.31Å; L314-Y365 HydrophobicContact CG-CE1 4.14Å; L314-Y365 HydrophobicContact CG-CE2 4.28Å; L314-Y365 HydrophobicContact CG-CG 4.29Å
315	H	97.8	Very high	95.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.4	-40	178	-165	63.4	0	0	0	113.4	P258 A262 T311 A312 L313 H318 A319 Y365 F468 L474	P258-H315 PolarHBondContact O-CE1 3.2Å; P258-H315 VanDerWaalsContact O-CE1 3.28Å; A262-H315 WeakPolarHBondContact CB-CE1 3.49Å; T311-H315 PolarHBondContact O-N 3.16Å; T311-H315 VanDerWaalsContact O-N 3.11Å; A312-H315 PolarHBondContact O-N 3.19Å; L313-H315 PolarHBondContact O-N 3.28Å; H315-H318 PolarHBondContact O-N 3.07Å; H315-A319 WeakPolarHBondContact O-CB 3.31Å; H315-A319 PolarHBondContact O-N 2.75Å; H315-Y365 HydrophobicContact CB-CE1 4.24Å; H315-Y365 WeakPolarHBondContact CB-OH 3.31Å; H315-Y365 AromaticContact ND1-CE1 3.65Å; H315-Y365 AromaticContact ND1-CZ 3.85Å; H315-Y365 PolarHBondContact ND1-OH 2.82Å; H315-F468 HydrophobicContact CB-CE1 4.27Å; H315-F468 AromaticContact CD2-CE1 3.99Å; H315-F468 AromaticContact CD2-CZ 3.89Å; H315-L474 HydrophobicContact CB-CD1 3.81Å
316	L	98.4	Very high	95.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-42.3	174.7	-71.4	166.3	0	0	0	112.1	V266 V281 L285 I288 A312 L313 A319 A320 L457 W460 F468	V266-L316 HydrophobicContact CG1-CD2 3.81Å; V281-L316 HydrophobicContact CG1-CD2 4.12Å; L285-L316 HydrophobicContact CD2-CD2 4.43Å; I288-L316 HydrophobicContact CD1-CB 3.6Å; A312-L316 WeakPolarHBondContact O-CG 3.4Å; A312-L316 PolarHBondContact O-N 2.7Å; L313-L316 PolarHBondContact O-N 2.73Å; L316-A319 PolarHBondContact O-N 3.37Å; L316-A320 WeakPolarHBondContact O-CB 3.46Å; L316-A320 PolarHBondContact O-N 3.3Å; L316-L457 HydrophobicContact CD1-CD2 3.64Å; L316-W460 HydrophobicContact CD1-CH2 4Å; L316-W460 HydrophobicContact CD1-CZ2 3.76Å; L316-F468 HydrophobicContact CD2-CE2 3.7Å; L316-F468 HydrophobicContact CD2-CZ 3.64Å; L316-F468 HydrophobicContact CG-CE1 4.42Å; L316-F468 HydrophobicContact CG-CE2 4.24Å; L316-F468 HydrophobicContact CG-CZ 3.75Å
317	I	97.5	Very high	94.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.8	-47	177.5	-64.8	165.1	0	0	0	110.1	I288 I302 L313 L314 A319 A320 I321 L339 F425	I288-I317 HydrophobicContact CD1-CG1 3.99Å; I288-I317 HydrophobicContact CG1-CG1 4.19Å; I288-I317 HydrophobicContact CG2-CG1 4.15Å; I302-I317 HydrophobicContact CD1-CB 4.41Å; I302-I317 HydrophobicContact CD1-CD1 3.88Å; I302-I317 HydrophobicContact CD1-CG2 3.98Å; I302-I317 HydrophobicContact CG1-CD1 3.93Å; I302-I317 HydrophobicContact CG2-CD1 4.34Å; L313-I317 HydrophobicContact CD1-CD1 3.81Å; L313-I317 HydrophobicContact CD1-CG1 4.09Å; L313-I317 HydrophobicContact CG-CD1 3.82Å; L313-I317 HydrophobicContact CG-CG1 4.5Å; L313-I317 WeakPolarHBondContact O-CG1 3.45Å; L313-I317 PolarHBondContact O-N 2.61Å; L314-I317 PolarHBondContact O-N 2.84Å; I317-A319 VanDerWaalsContact C-N 3.33Å; I317-A319 PolarHBondContact O-N 2.61Å; I317-A320 PolarHBondContact O-N 3.48Å; I317-I321 HydrophobicContact CG2-CD1 3.91Å; I317-I321 HydrophobicContact CG2-CG1 4.4Å; I317-I321 WeakPolarHBondContact O-CG1 3.34Å; I317-I321 PolarHBondContact O-N 3.14Å; I317-L339 HydrophobicContact CG2-CD2 3.97Å; I317-F425 HydrophobicContact CD1-CB 3.71Å; I317-F425 HydrophobicContact CD1-CD1 3.9Å; I317-F425 HydrophobicContact CD1-CD2 3.72Å; I317-F425 HydrophobicContact CD1-CE1 4.42Å; I317-F425 HydrophobicContact CD1-CE2 4.24Å; I317-F425 HydrophobicContact CD1-CG 3.51Å; I317-F425 HydrophobicContact CG1-CD1 4.44Å; I317-F425 HydrophobicContact CG1-CG 4.44Å
318	H	95.6	Very high	93.8	Very high	25 Å²	25	25.7 Å²	25.7	12%	0.116	13%	0.132	C	C	.	.	H	α-helix	trans	-56	-47.3	175.5	174.8	76.8	0	0	0	112.1	I259 A262 L314 H315 A320 I321 Q322 L339 Y365	I259-H318 VanDerWaalsContact CG2-NE2 3.32Å; I259-H318 WeakPolarHBondContact CG2-NE2 3.24Å; I259-H318 PolarHBondContact O-NE2 3.38Å; A262-H318 VanDerWaalsContact CB-CD2 3.47Å; A262-H318 WeakPolarHBondContact CB-CD2 3.21Å; L314-H318 WeakPolarHBondContact O-CB 3.43Å; L314-H318 PolarHBondContact O-N 2.75Å; H315-H318 PolarHBondContact O-N 3.07Å; H318-A320 PolarHBondContact O-N 2.94Å; H318-I321 PolarHBondContact O-N 3.31Å; H318-Q322 VanDerWaalsContact O-CB 3.29Å; H318-Q322 WeakPolarHBondContact O-CB 3.45Å; H318-Q322 PolarHBondContact O-N 3.16Å; H318-L339 HydrophobicContact CB-CD2 4.23Å; H318-Y365 HydrophobicContact CB-CD1 3.71Å; H318-Y365 HydrophobicContact CB-CE1 3.86Å; H318-Y365 AromaticContact CG-CD1 3.69Å
319	A	96.5	Very high	92	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.2	-42.2	176.3	0	0	0	0	0	112.4	A262 D263 V266 H315 L316 I317 Q322 H323	A262-A319 HydrophobicContact CB-CB 4.01Å; D263-A319 WeakPolarHBondContact CB-O 3.25Å; V266-A319 HydrophobicContact CB-CB 3.78Å; V266-A319 HydrophobicContact CG1-CB 4.01Å; V266-A319 HydrophobicContact CG2-CB 3.8Å; H315-A319 WeakPolarHBondContact O-CB 3.31Å; H315-A319 PolarHBondContact O-N 2.75Å; L316-A319 PolarHBondContact O-N 3.37Å; I317-A319 VanDerWaalsContact C-N 3.33Å; I317-A319 PolarHBondContact O-N 2.61Å; A319-Q322 PolarHBondContact O-N 3.23Å; A319-H323 VanDerWaalsContact O-CB 3.3Å; A319-H323 WeakPolarHBondContact O-CB 3.47Å; A319-H323 PolarHBondContact O-N 3.47Å
320	A	96.7	Very high	89.6	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-43.8	178.6	0	0	0	0	0	112.5	L285 I288 L292 L316 I317 H318 H323 Q324	L285-A320 HydrophobicContact CD2-CB 4.23Å; I288-A320 HydrophobicContact CG2-CB 3.67Å; L292-A320 HydrophobicContact CD1-CB 4.02Å; L316-A320 WeakPolarHBondContact O-CB 3.46Å; L316-A320 PolarHBondContact O-N 3.3Å; I317-A320 PolarHBondContact O-N 3.48Å; H318-A320 PolarHBondContact O-N 2.94Å; A320-H323 WeakPolarHBondContact O-CB 3.2Å; A320-H323 PolarHBondContact O-N 2.82Å; A320-Q324 WeakPolarHBondContact O-CG 3.2Å; A320-Q324 PolarHBondContact O-N 2.88Å
321	I	93.6	Very high	87.2	Confident	18 Å²	18	45.4 Å²	45.4	9%	0.092	23%	0.23	C	C	.	.	H	α-helix	trans	-69.3	-40.9	178.5	-56.6	172.8	0	0	0	110.5	L292 I317 H318 H323 Q324 S325 P337 L339	L292-I321 HydrophobicContact CD1-CG1 3.72Å; L292-I321 HydrophobicContact CD2-CD1 4.32Å; L292-I321 HydrophobicContact CD2-CG1 4.15Å; I317-I321 HydrophobicContact CG2-CD1 3.91Å; I317-I321 HydrophobicContact CG2-CG1 4.4Å; I317-I321 WeakPolarHBondContact O-CG1 3.34Å; I317-I321 PolarHBondContact O-N 3.14Å; H318-I321 PolarHBondContact O-N 3.31Å; I321-H323 VanDerWaalsContact C-N 3.29Å; I321-H323 PolarHBondContact O-N 2.81Å; I321-Q324 PolarHBondContact O-N 3.19Å; I321-S325 WeakPolarHBondContact O-CB 3.31Å; I321-S325 PolarHBondContact O-N 3.38Å; I321-P337 HydrophobicContact CB-CB 4.29Å; I321-P337 HydrophobicContact CG2-CB 3.38Å; I321-L339 HydrophobicContact CD1-CD2 3.76Å; I321-L339 HydrophobicContact CD1-CG 4.37Å
322	Q	92.3	Very high	84.6	Confident	20 Å²	20	50.1 Å²	50.1	9%	0.093	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-43.3	173.5	-177	175.9	26.6	0	0	111.1	D260 D263 H318 A319 S325 H326	D260-Q322 PolarHBondContact O-NE2 3.31Å; D263-Q322 HydrophobicContact CB-CB 4.06Å; D263-Q322 HydrophobicContact CB-CG 3.94Å; D263-Q322 PolarHBondContact OD1-OE1 3.46Å; H318-Q322 VanDerWaalsContact O-CB 3.29Å; H318-Q322 WeakPolarHBondContact O-CB 3.45Å; H318-Q322 PolarHBondContact O-N 3.16Å; A319-Q322 PolarHBondContact O-N 3.23Å; Q322-S325 PolarHBondContact O-N 3.28Å; Q322-H326 PolarHBondContact O-N 3.4Å
323	H	93.5	Very high	82	Confident	47 Å²	47	57.7 Å²	57.7	22%	0.218	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-45.1	176.6	-167.2	62	0	0	0	112.9	D263 Y267 A319 A320 I321 S325 H326 N327	D263-H323 HydrophobicContact CB-CB 3.93Å; Y267-H323 HydrophobicContact CD2-CB 4.11Å; Y267-H323 AromaticContact CD2-CG 3.94Å; Y267-H323 AromaticContact CE1-CD2 3.47Å; Y267-H323 VanDerWaalsContact CE1-CD2 3.47Å; Y267-H323 WeakPolarHBondContact CE1-CD2 3.49Å; Y267-H323 AromaticContact CE1-CG 3.94Å; Y267-H323 AromaticContact CE1-NE2 3.8Å; Y267-H323 HydrophobicContact CE2-CB 3.4Å; Y267-H323 VanDerWaalsContact CE2-CB 3.4Å; Y267-H323 AromaticContact CE2-CD2 3.88Å; Y267-H323 AromaticContact CE2-CG 3.51Å; Y267-H323 AromaticContact CZ-CD2 3.34Å; Y267-H323 AromaticContact CZ-CG 3.49Å; Y267-H323 VanDerWaalsContact CZ-CG 3.49Å; A319-H323 VanDerWaalsContact O-CB 3.3Å; A319-H323 WeakPolarHBondContact O-CB 3.47Å; A319-H323 PolarHBondContact O-N 3.47Å; A320-H323 WeakPolarHBondContact O-CB 3.2Å; A320-H323 PolarHBondContact O-N 2.82Å; I321-H323 VanDerWaalsContact C-N 3.29Å; I321-H323 PolarHBondContact O-N 2.81Å; H323-S325 VanDerWaalsContact C-N 3.33Å; H323-S325 PolarHBondContact O-N 3.23Å; H323-H326 PolarHBondContact O-N 3.14Å; H323-N327 PolarHBondContact CD2-ND2 2.87Å; H323-N327 PolarHBondContact NE2-ND2 2.98Å; H323-N327 PolarHBondContact O-N 3.18Å; H323-N327 PolarHBondContact O-ND2 2.97Å
324	Q	90	Very high	79.4	Confident	50 Å²	50	65.8 Å²	65.8	23%	0.234	34%	0.342	C	S	.	.	H	α-helix	trans	-60.8	-41.6	175.3	-73.6	-176.2	-12.9	0	0	111.9	N293 A320 I321 N327 N328	N293-Q324 PolarHBondContact OD1-NE2 3.07Å; A320-Q324 WeakPolarHBondContact O-CG 3.2Å; A320-Q324 PolarHBondContact O-N 2.88Å; I321-Q324 PolarHBondContact O-N 3.19Å; Q324-N327 PolarHBondContact O-N 3.34Å; Q324-N328 VanDerWaalsContact O-CB 3.3Å; Q324-N328 WeakPolarHBondContact O-CB 3.42Å; Q324-N328 VanDerWaalsContact O-CG 3.24Å; Q324-N328 PolarHBondContact O-N 2.71Å; Q324-N328 PolarHBondContact O-ND2 2.69Å
325	S	86.3	Confident	77.1	Confident	26 Å²	26	72.7 Å²	72.7	18%	0.182	38%	0.377	C	S	.	.	H	α-helix	trans	-64.1	-44.6	177.4	178.6	0	0	0	0	112.1	I321 Q322 H323 N327 N328 N329	I321-S325 WeakPolarHBondContact O-CB 3.31Å; I321-S325 PolarHBondContact O-N 3.38Å; Q322-S325 PolarHBondContact O-N 3.28Å; H323-S325 VanDerWaalsContact C-N 3.33Å; H323-S325 PolarHBondContact O-N 3.23Å; S325-N327 VanDerWaalsContact C-N 3.34Å; S325-N327 PolarHBondContact O-N 3.24Å; S325-N328 PolarHBondContact O-N 3.46Å; S325-N329 PolarHBondContact O-N 2.71Å
326	H	86.6	Confident	75	Confident	93 Å²	93	81.4 Å²	81.4	43%	0.431	42%	0.415	S	S	.	.	H	α-helix	trans	-63	-38.4	176.9	-71.7	164.8	0	0	0	112.8	D263 Q322 H323	D263-H326 IonicContact OD1-CE1 3.89Å; D263-H326 IonicContact OD1-ND1 2.93Å; D263-H326 IonicContact OD2-CE1 3.51Å; D263-H326 PolarHBondContact OD2-CE1 3.48Å; D263-H326 IonicContact OD2-CG 2.69Å; D263-H326 IonicContact OD2-ND1 3.71Å; D263-H326 PolarHBondContact OD2-ND1 2.98Å; Q322-H326 PolarHBondContact O-N 3.4Å; H323-H326 PolarHBondContact O-N 3.14Å
327	N	83.5	Confident	73.3	Confident	108 Å²	108	83.8 Å²	83.8	58%	0.578	43%	0.431	S	S	*	.	H	α-helix	trans	-74.7	-27.3	178.1	-70.1	-22.7	0	0	0	113.4	H323 Q324 S325	H323-N327 PolarHBondContact CD2-ND2 2.87Å; H323-N327 PolarHBondContact NE2-ND2 2.98Å; H323-N327 PolarHBondContact O-N 3.18Å; H323-N327 PolarHBondContact O-ND2 2.97Å; Q324-N327 PolarHBondContact O-N 3.34Å; S325-N327 VanDerWaalsContact C-N 3.34Å; S325-N327 PolarHBondContact O-N 3.24Å
328	N	76.3	Confident	72.4	Confident	122 Å²	122	89.2 Å²	89.2	65%	0.652	45%	0.451	S	S	*	.	H	α-helix	trans	-86	-7.6	-177.9	-76	-16	0	0	0	114.5	Q324 S325 N330	Q324-N328 VanDerWaalsContact O-CB 3.3Å; Q324-N328 WeakPolarHBondContact O-CB 3.42Å; Q324-N328 VanDerWaalsContact O-CG 3.24Å; Q324-N328 PolarHBondContact O-N 2.71Å; Q324-N328 PolarHBondContact O-ND2 2.69Å; S325-N328 PolarHBondContact O-N 3.46Å; N328-N330 PolarHBondContact O-N 3.43Å
329	N	59.4	Low	72.1	Confident	104 Å²	104	88.8 Å²	88.8	56%	0.556	45%	0.45	S	S	*	.			trans	-72	47.4	-173.5	-87.3	-12.2	0	0	0	115.8	S325	S325-N329 PolarHBondContact O-N 2.71Å
330	N	47.5	Very low	71.9	Confident	145 Å²	145	88.8 Å²	88.8	78%	0.775	45%	0.45	S	S	*	.	S	Bend	trans	-87.5	106.2	148.4	-75.4	-30	0	0	0	108.1	N328	N328-N330 PolarHBondContact O-N 3.43Å
331	H	47.3	Very low	71.8	Confident	193 Å²	193	90 Å²	90	89%	0.894	46%	0.455	S	S	*	.	S	Bend	trans	64.9	73.1	166.2	-60.5	-68.2	0	0	0	119.1
332	S	44.1	Very low	71.8	Confident	101 Å²	101	89.1 Å²	89.1	71%	0.706	45%	0.45	S	S	*	.			trans	-174.7	147.6	134.8	-155.1	0	0	0	0	111.3
333	E	43.9	Very low	72	Confident	159 Å²	159	88.3 Å²	88.3	74%	0.743	45%	0.447	S	S	*	.			trans	-57.3	131.7	-171.8	-60.9	176.1	147.9	0	0	114.6	I335	E333-I335 VanDerWaalsContact C-N 3.26Å; E333-I335 WeakPolarHBondContact O-CG1 3.17Å; E333-I335 PolarHBondContact O-N 2.71Å
334	N	43.5	Very low	72.1	Confident	171 Å²	171	86.4 Å²	86.4	91%	0.914	44%	0.438	S	S	*	.			trans	34.4	26.9	146.3	-77.8	-14.1	0	0	0	121.2	K336	N334-K336 PolarHBondContact O-N 3.31Å
335	I	49	Very low	72.3	Confident	145 Å²	145	85.9 Å²	85.9	74%	0.744	44%	0.436	S	S	*	.			trans	-76.8	107.7	169.1	-58.5	175.7	0	0	0	107.3	E333	E333-I335 VanDerWaalsContact C-N 3.26Å; E333-I335 WeakPolarHBondContact O-CG1 3.17Å; E333-I335 PolarHBondContact O-N 2.71Å
336	K	54.2	Low	72.5	Confident	183 Å²	183	88.3 Å²	88.3	80%	0.796	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-54.6	138	172.5	-82.2	-173.1	175.6	-173.6	0	109.6	N334 R338	N334-K336 PolarHBondContact O-N 3.31Å; K336-R338 PolarHBondContact O-N 2.67Å
337	P	62.5	Low	72.5	Confident	49 Å²	49	85.8 Å²	85.8	32%	0.318	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-51.8	127.4	172.7	18.2	-29.5	0	0	0	110.4	I321	I321-P337 HydrophobicContact CB-CB 4.29Å; I321-P337 HydrophobicContact CG2-CB 3.38Å
338	R	78.5	Confident	72.3	Confident	114 Å²	114	86.8 Å²	86.8	43%	0.43	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-93.4	118.4	-178.1	-175.8	165	173.5	-133.1	7.5	110.1	D297 K336 D397	D297-R338 WeakPolarHBondContact OD2-CD 3.37Å; D297-R338 IonicContact OD2-CZ 3.81Å; D297-R338 IonicContact OD2-NE 3.92Å; D297-R338 IonicContact OD2-NH1 3.84Å; D297-R338 PolarHBondContact OD2-NH1 3.07Å; K336-R338 PolarHBondContact O-N 2.67Å; R338-D397 IonicContact CZ-OD1 3.93Å; R338-D397 IonicContact CZ-OD2 3.82Å; R338-D397 IonicContact NE-OD2 3.73Å; R338-D397 PolarHBondContact NE-OD2 3.49Å; R338-D397 IonicContact NH2-OD1 3.13Å; R338-D397 PolarHBondContact NH2-OD1 3.18Å; R338-D397 IonicContact NH2-OD2 3.63Å; R338-D397 PolarHBondContact NH2-OD2 2.88Å
339	L	89.1	Confident	73	Confident	16 Å²	16	81.8 Å²	81.8	8%	0.084	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-68	146.4	170.9	-80.3	162.4	0	0	0	110.6	I302 I317 H318 I321 Y366	I302-L339 HydrophobicContact CD1-CD2 4.15Å; I317-L339 HydrophobicContact CG2-CD2 3.97Å; H318-L339 HydrophobicContact CB-CD2 4.23Å; I321-L339 HydrophobicContact CD1-CD2 3.76Å; I321-L339 HydrophobicContact CD1-CG 4.37Å; L339-Y366 HydrophobicContact CB-CE1 3.81Å; L339-Y366 HydrophobicContact CD1-CE1 4.45Å; L339-Y366 HydrophobicContact CD1-CE2 4.28Å
340	P	93	Very high	74.5	Confident	1 Å²	1	77.6 Å²	77.6	1%	0.006	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-55.5	163.2	165.2	-21.2	30.4	0	0	0	111.9	L300 I302 L342 Y366	L300-P340 HydrophobicContact CB-CB 3.82Å; L300-P340 HydrophobicContact CB-CG 3.95Å; L300-P340 WeakPolarHBondContact O-CB 3.39Å; I302-P340 HydrophobicContact CG1-CB 4.25Å; P340-L342 PolarHBondContact O-N 3.35Å; P340-Y366 PolarHBondContact O-OH 3.28Å
341	K	93.1	Very high	76.7	Confident	24 Å²	24	71.5 Å²	71.5	10%	0.104	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	141	178.3	-68.6	-172.8	-174.5	-57.6	0	110.7	V301 I302 D397 N398 S399 Y418	V301-K341 CarbonylContact C-O 3.59Å; V301-K341 WeakPolarHBondContact CA-O 3.27Å; V301-K341 HydrophobicContact CG2-CB 4.31Å; V301-K341 VanDerWaalsContact CG2-O 3.25Å; V301-K341 WeakPolarHBondContact CG2-O 3.36Å; I302-K341 PolarHBondContact N-O 2.97Å; K341-D397 IonicContact NZ-OD1 2.64Å; K341-D397 PolarHBondContact NZ-OD1 2.91Å; K341-N398 PolarHBondContact NZ-O 3.43Å; K341-S399 CarbonylContact C-O 3.46Å; K341-S399 VanDerWaalsContact CA-O 3.3Å; K341-S399 WeakPolarHBondContact CA-O 3.32Å; K341-Y418 HydrophobicContact CD-CD1 4.21Å; K341-Y418 HydrophobicContact CD-CE1 4.09Å
342	L	95.2	Very high	79	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.4	170.2	-170.4	144	0	0	0	109.4	F304 L314 P340 V362 Y366 S399 V400 V401	F304-L342 HydrophobicContact CB-CD1 3.76Å; F304-L342 HydrophobicContact CB-CD2 3.86Å; F304-L342 HydrophobicContact CB-CG 3.72Å; F304-L342 HydrophobicContact CD1-CD1 4.3Å; F304-L342 HydrophobicContact CD1-CD2 4.43Å; F304-L342 HydrophobicContact CG-CD1 3.95Å; F304-L342 HydrophobicContact CG-CD2 4.46Å; F304-L342 HydrophobicContact CG-CG 4.41Å; L314-L342 HydrophobicContact CD2-CD1 4.42Å; P340-L342 PolarHBondContact O-N 3.35Å; L342-V362 HydrophobicContact CD2-CG2 4.43Å; L342-Y366 HydrophobicContact CB-CE2 3.92Å; L342-Y366 WeakPolarHBondContact CB-OH 3.49Å; L342-Y366 HydrophobicContact CD1-CE2 3.69Å; L342-Y366 HydrophobicContact CG-CE2 4.47Å; L342-S399 PolarHBondContact N-O 3.33Å; L342-V400 HydrophobicContact CB-CG1 4.39Å; L342-V400 HydrophobicContact CB-CG2 4.18Å; L342-V400 HydrophobicContact CD2-CG1 3.87Å; L342-V400 WeakPolarHBondContact O-CA 3.25Å; L342-V401 PolarHBondContact O-N 3.34Å
343	L	96.2	Very high	81.5	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.016	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.4	172.4	172.9	63.7	0	0	0	109.3	V301 I302 F304 I345 Y403 L411 F414	V301-L343 HydrophobicContact CG2-CB 3.49Å; V301-L343 VanDerWaalsContact CG2-CB 3.49Å; I302-L343 PolarHBondContact O-N 2.96Å; F304-L343 PolarHBondContact N-O 3.45Å; L343-I345 HydrophobicContact CD1-CG1 4.17Å; L343-I345 HydrophobicContact CD2-CD1 4.24Å; L343-I345 HydrophobicContact CD2-CG1 4.32Å; L343-I345 HydrophobicContact CG-CG1 4.11Å; L343-Y403 HydrophobicContact CD1-CD2 3.83Å; L343-Y403 HydrophobicContact CD1-CE2 4.36Å; L343-L411 HydrophobicContact CD2-CD1 4.37Å; L343-F414 HydrophobicContact CD1-CB 4.43Å; L343-F414 HydrophobicContact CD1-CD2 4.01Å; L343-F414 HydrophobicContact CD1-CE2 4.41Å; L343-F414 HydrophobicContact CD1-CG 4.07Å; L343-F414 HydrophobicContact CD2-CD1 3.82Å; L343-F414 HydrophobicContact CD2-CE1 4.09Å; L343-F414 HydrophobicContact CD2-CG 4.11Å
344	Y	95.5	Very high	83.9	Confident	7 Å²	7	57.2 Å²	57.2	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.2	169.8	177.5	-136.1	0	0	0	109.9	F304 R346 E355 V358 V401 V402 Y403	F304-Y344 VanDerWaalsContact O-CD2 3.26Å; F304-Y344 WeakPolarHBondContact O-CD2 3.47Å; Y344-R346 HydrophobicContact CD1-CB 4.48Å; Y344-R346 HydrophobicContact CE1-CB 4.06Å; Y344-R346 HydrophobicContact CE1-CG 4.2Å; Y344-E355 VanDerWaalsContact OH-CD 3.27Å; Y344-E355 PolarHBondContact OH-OE1 3.16Å; Y344-V358 HydrophobicContact CD1-CG1 3.89Å; Y344-V358 HydrophobicContact CD2-CG2 4.34Å; Y344-V358 HydrophobicContact CE1-CB 4.5Å; Y344-V358 HydrophobicContact CE1-CG1 4.18Å; Y344-V358 HydrophobicContact CE1-CG2 4.33Å; Y344-V358 HydrophobicContact CE2-CG2 4Å; Y344-V358 HydrophobicContact CG-CG1 4.08Å; Y344-V401 PolarHBondContact N-O 3.4Å; Y344-V402 HydrophobicContact CD1-CG1 3.74Å; Y344-V402 HydrophobicContact CD1-CG2 4.11Å; Y344-V402 HydrophobicContact CE1-CG1 4.41Å; Y344-V402 HydrophobicContact CG-CG1 4.47Å; Y344-V402 VanDerWaalsContact O-CA 3.25Å; Y344-V402 WeakPolarHBondContact O-CA 3.36Å; Y344-Y403 PolarHBondContact O-N 3.47Å; Y344-Y403 VanDerWaalsContact O-N 3.1Å
345	I	94.2	Very high	86.3	Confident	40 Å²	40	50 Å²	50	21%	0.205	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108.1	173	-59.5	173	0	0	0	108	L343 Y403 I407 A410	L343-I345 HydrophobicContact CD1-CG1 4.17Å; L343-I345 HydrophobicContact CD2-CD1 4.24Å; L343-I345 HydrophobicContact CD2-CG1 4.32Å; L343-I345 HydrophobicContact CG-CG1 4.11Å; I345-Y403 CarbonylContact C-O 3.59Å; I345-Y403 WeakPolarHBondContact CA-O 3.34Å; I345-I407 HydrophobicContact CD1-CG2 4.06Å; I345-A410 HydrophobicContact CB-CB 4.35Å; I345-A410 HydrophobicContact CD1-CB 3.94Å; I345-A410 HydrophobicContact CG1-CB 3.92Å; I345-A410 HydrophobicContact CG2-CB 3.54Å
346	R	90.9	Very high	88.3	Confident	77 Å²	77	47.6 Å²	47.6	29%	0.291	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.7	-176.1	-171.5	176.9	-171.2	-147	2.5	110.5	Y344 E355 V402 Y403 E404 G405	Y344-R346 HydrophobicContact CD1-CB 4.48Å; Y344-R346 HydrophobicContact CE1-CB 4.06Å; Y344-R346 HydrophobicContact CE1-CG 4.2Å; R346-E355 VanDerWaalsContact CG-OE1 3.31Å; R346-E355 WeakPolarHBondContact CG-OE1 2.89Å; R346-E355 IonicContact CZ-OE1 3.62Å; R346-E355 IonicContact CZ-OE2 3.74Å; R346-E355 IonicContact NE-OE1 3.13Å; R346-E355 PolarHBondContact NE-OE1 3.26Å; R346-E355 IonicContact NE-OE2 3.43Å; R346-E355 PolarHBondContact NE-OE2 3.44Å; R346-E355 VanDerWaalsContact NE-OE2 3.13Å; R346-E355 IonicContact NH2-OE1 3.79Å; R346-E355 IonicContact NH2-OE2 3.72Å; R346-V402 HydrophobicContact CB-CG1 4.02Å; R346-Y403 PolarHBondContact N-O 2.76Å; R346-E404 HydrophobicContact CB-CG 4.42Å; R346-E404 IonicContact NH1-OE1 2.71Å; R346-E404 PolarHBondContact NH1-OE1 3.37Å; R346-E404 WeakPolarHBondContact O-CA 3.42Å; R346-G405 PolarHBondContact O-N 3.39Å; R346-G405 VanDerWaalsContact O-N 3.07Å
347	S	85	Confident	90.3	Very high	40 Å²	40	39.4 Å²	39.4	28%	0.28	21%	0.211	S	C	.	.			trans	-73.1	154.8	171.2	70	0	0	0	0	110.9	S349 S350	S347-S349 PolarHBondContact O-N 2.86Å; S347-S350 PolarHBondContact N-OG 2.98Å; S347-S350 PolarHBondContact O-OG 2.96Å; S347-S350 WeakPolarHBondContact OG-CA 3.14Å; S347-S350 PolarHBondContact OG-N 3.35Å; S347-S350 VanDerWaalsContact OG-N 3.1Å; S347-S350 PolarHBondContact OG-OG 2.62Å
348	C	80.9	Confident	91.7	Very high	129 Å²	129	37.5 Å²	37.5	87%	0.872	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-13.7	178.6	-59.6	0	0	0	0	113.8
349	S	89	Confident	92.3	Very high	17 Å²	17	35.8 Å²	35.8	12%	0.119	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.7	40.8	-168	50.3	0	0	0	0	111.2	S347 S489 M490 E491	S347-S349 PolarHBondContact O-N 2.86Å; S349-S489 WeakPolarHBondContact OG-CB 3.36Å; S349-M490 WeakPolarHBondContact O-CB 3.39Å; S349-M490 VanDerWaalsContact O-CG 3.32Å; S349-M490 WeakPolarHBondContact O-CG 3.42Å; S349-M490 PolarHBondContact O-N 2.85Å; S349-E491 WeakPolarHBondContact CB-OE1 3.47Å; S349-E491 WeakPolarHBondContact CB-OE2 3.37Å; S349-E491 PolarHBondContact OG-OE1 3.11Å; S349-E491 VanDerWaalsContact OG-OE1 3.12Å; S349-E491 PolarHBondContact OG-OE2 2.64Å
350	S	91.2	Very high	92.3	Very high	16 Å²	16	40.5 Å²	40.5	11%	0.112	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-62.2	146.2	170.8	-59.2	0	0	0	0	110.6	S347 E355 M490	S347-S350 PolarHBondContact N-OG 2.98Å; S347-S350 PolarHBondContact O-OG 2.96Å; S347-S350 WeakPolarHBondContact OG-CA 3.14Å; S347-S350 PolarHBondContact OG-N 3.35Å; S347-S350 VanDerWaalsContact OG-N 3.1Å; S347-S350 PolarHBondContact OG-OG 2.62Å; S350-E355 WeakPolarHBondContact CB-OE1 3.39Å; S350-E355 PolarHBondContact OG-OE1 3.2Å; S350-M490 WeakPolarHBondContact O-CE 3.37Å
351	F	94.8	Very high	92.2	Very high	17 Å²	17	40.8 Å²	40.8	8%	0.075	22%	0.217	C	C	.	.			trans	-63.4	135.8	168.9	-71.6	-93.3	0	0	0	111.1	E353 T354 E355 L479 Y484 I487 S489 M490 T493	F351-E353 PolarHBondContact O-N 2.87Å; F351-T354 WeakPolarHBondContact O-CB 3.5Å; F351-T354 PolarHBondContact O-N 2.89Å; F351-E355 PolarHBondContact O-N 2.85Å; F351-E355 VanDerWaalsContact O-N 3.16Å; F351-L479 HydrophobicContact CB-CD1 3.56Å; F351-L479 HydrophobicContact CD1-CD1 3.7Å; F351-L479 HydrophobicContact CD1-CD2 4.1Å; F351-L479 HydrophobicContact CD2-CD1 3.88Å; F351-L479 HydrophobicContact CE1-CD1 4.35Å; F351-L479 HydrophobicContact CG-CD1 3.43Å; F351-L479 VanDerWaalsContact CG-CD1 3.43Å; F351-Y484 HydrophobicContact CE1-CE1 4.01Å; F351-Y484 HydrophobicContact CE2-CE1 4.5Å; F351-Y484 AromaticContact CZ-CE1 3.7Å; F351-Y484 HydrophobicContact CZ-CE1 3.7Å; F351-I487 HydrophobicContact CD2-CG2 4.22Å; F351-S489 WeakPolarHBondContact CE2-O 3.33Å; F351-M490 HydrophobicContact CB-CG 4.44Å; F351-M490 HydrophobicContact CD1-CG 3.67Å; F351-M490 HydrophobicContact CD1-SD 4.32Å; F351-M490 HydrophobicContact CD2-CG 3.85Å; F351-M490 HydrophobicContact CE1-CG 3.75Å; F351-M490 HydrophobicContact CE2-CB 4.42Å; F351-M490 HydrophobicContact CE2-CG 3.92Å; F351-M490 HydrophobicContact CG-CG 3.71Å; F351-M490 HydrophobicContact CZ-CB 4.28Å; F351-M490 HydrophobicContact CZ-CG 3.87Å; F351-T493 HydrophobicContact CE2-CG2 4.44Å
352	P	95.4	Very high	92.1	Very high	77 Å²	77	40 Å²	40	50%	0.5	21%	0.214	S	C	.	.	H	α-helix	trans	-54.1	-35.3	173.9	-26.7	35.1	0	0	0	113.5	T354 E355 L356	P352-T354 VanDerWaalsContact C-N 3.33Å; P352-T354 PolarHBondContact O-N 3.48Å; P352-E355 PolarHBondContact O-N 2.82Å; P352-L356 WeakPolarHBondContact O-CB 3.48Å; P352-L356 VanDerWaalsContact O-CG 3.32Å; P352-L356 WeakPolarHBondContact O-CG 3.35Å; P352-L356 PolarHBondContact O-N 2.91Å
353	E	95.7	Very high	91.6	Very high	68 Å²	68	44.7 Å²	44.7	32%	0.318	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-38	176.6	-64.1	87	164	0	0	112.3	F351 F357 L479	F351-E353 PolarHBondContact O-N 2.87Å; E353-F357 VanDerWaalsContact O-CB 3.25Å; E353-F357 WeakPolarHBondContact O-CB 3.35Å; E353-F357 PolarHBondContact O-N 2.88Å; E353-L479 HydrophobicContact CB-CD1 4.23Å; E353-L479 HydrophobicContact CB-CD2 4.33Å; E353-L479 HydrophobicContact CB-CG 3.86Å; E353-L479 HydrophobicContact CG-CD2 4.15Å; E353-L479 HydrophobicContact CG-CG 4.21Å
354	T	94.7	Very high	91.1	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.043	26%	0.264	C	S	.	.	H	α-helix	trans	-67.8	-43.5	175.5	-60.7	0	0	0	0	110.5	N305 F351 P352 F357 V358	N305-T354 WeakPolarHBondContact O-CG2 3.48Å; F351-T354 WeakPolarHBondContact O-CB 3.5Å; F351-T354 PolarHBondContact O-N 2.89Å; P352-T354 VanDerWaalsContact C-N 3.33Å; P352-T354 PolarHBondContact O-N 3.48Å; T354-F357 PolarHBondContact O-N 3.17Å; T354-V358 HydrophobicContact CG2-CG2 4.45Å; T354-V358 VanDerWaalsContact O-CG2 3.28Å; T354-V358 WeakPolarHBondContact O-CG2 3.3Å; T354-V358 PolarHBondContact O-N 2.77Å
355	E	93.4	Very high	90.8	Very high	21 Å²	21	49.6 Å²	49.6	10%	0.098	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-49.5	176.3	-61.2	-69	161.6	0	0	111.2	Y344 R346 S350 F351 P352 F357 V358 E359	Y344-E355 VanDerWaalsContact OH-CD 3.27Å; Y344-E355 PolarHBondContact OH-OE1 3.16Å; R346-E355 VanDerWaalsContact CG-OE1 3.31Å; R346-E355 WeakPolarHBondContact CG-OE1 2.89Å; R346-E355 IonicContact CZ-OE1 3.62Å; R346-E355 IonicContact CZ-OE2 3.74Å; R346-E355 IonicContact NE-OE1 3.13Å; R346-E355 PolarHBondContact NE-OE1 3.26Å; R346-E355 IonicContact NE-OE2 3.43Å; R346-E355 PolarHBondContact NE-OE2 3.44Å; R346-E355 VanDerWaalsContact NE-OE2 3.13Å; R346-E355 IonicContact NH2-OE1 3.79Å; R346-E355 IonicContact NH2-OE2 3.72Å; S350-E355 WeakPolarHBondContact CB-OE1 3.39Å; S350-E355 PolarHBondContact OG-OE1 3.2Å; F351-E355 PolarHBondContact O-N 2.85Å; F351-E355 VanDerWaalsContact O-N 3.16Å; P352-E355 PolarHBondContact O-N 2.82Å; E355-F357 VanDerWaalsContact C-N 3.26Å; E355-F357 PolarHBondContact O-N 3.16Å; E355-V358 PolarHBondContact O-N 2.87Å; E355-E359 WeakPolarHBondContact O-CG 3.32Å; E355-E359 PolarHBondContact O-N 2.88Å
356	L	92.5	Very high	90.4	Very high	93 Å²	93	48.5 Å²	48.5	49%	0.487	26%	0.261	S	S	.	.	H	α-helix	trans	-60	-36.7	176.1	-73.2	171.1	0	0	0	112.1	P352 K360	P352-L356 WeakPolarHBondContact O-CB 3.48Å; P352-L356 VanDerWaalsContact O-CG 3.32Å; P352-L356 WeakPolarHBondContact O-CG 3.35Å; P352-L356 PolarHBondContact O-N 2.91Å; L356-K360 WeakPolarHBondContact O-CB 3.48Å; L356-K360 VanDerWaalsContact O-CG 3.24Å; L356-K360 WeakPolarHBondContact O-CG 3.39Å; L356-K360 PolarHBondContact O-N 3.5Å
357	F	94.9	Very high	89.5	Confident	12 Å²	12	48.3 Å²	48.3	5%	0.053	27%	0.271	C	S	.	.	H	α-helix	trans	-70.9	-39.6	177.3	176.3	-112.5	0	0	0	112.2	F304 G306 T311 E353 T354 E355 K360 T361 P475 Y476 C477	F304-F357 AromaticContact CZ-CE1 3.92Å; F304-F357 HydrophobicContact CZ-CE1 3.92Å; G306-F357 WeakPolarHBondContact O-CD1 3.32Å; G306-F357 VanDerWaalsContact O-CE1 3.25Å; G306-F357 WeakPolarHBondContact O-CE1 3.47Å; T311-F357 HydrophobicContact CG2-CZ 4.1Å; T311-F357 WeakPolarHBondContact OG1-CE1 3.07Å; E353-F357 VanDerWaalsContact O-CB 3.25Å; E353-F357 WeakPolarHBondContact O-CB 3.35Å; E353-F357 PolarHBondContact O-N 2.88Å; T354-F357 PolarHBondContact O-N 3.17Å; E355-F357 VanDerWaalsContact C-N 3.26Å; E355-F357 PolarHBondContact O-N 3.16Å; F357-K360 PolarHBondContact O-N 3.09Å; F357-T361 WeakPolarHBondContact CE2-OG1 3.4Å; F357-T361 WeakPolarHBondContact CZ-OG1 3.43Å; F357-T361 WeakPolarHBondContact O-CB 3.39Å; F357-T361 PolarHBondContact O-N 2.52Å; F357-T361 PolarHBondContact O-OG1 3.4Å; F357-P475 HydrophobicContact CE2-CB 4.13Å; F357-P475 WeakPolarHBondContact CE2-O 3.49Å; F357-P475 WeakPolarHBondContact CZ-O 3.45Å; F357-Y476 VanDerWaalsContact CE2-CA 3.45Å; F357-C477 HydrophobicContact CB-CB 4.18Å; F357-C477 HydrophobicContact CD1-CB 3.9Å; F357-C477 HydrophobicContact CG-CB 4.01Å
358	V	93.1	Very high	88.2	Confident	8 Å²	8	53.9 Å²	53.9	5%	0.048	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-48.2	175.1	171.8	0	0	0	0	110.2	F304 Y344 T354 E355 K360 T361 V362	F304-V358 HydrophobicContact CD1-CG1 4.35Å; F304-V358 HydrophobicContact CD1-CG2 4.11Å; F304-V358 HydrophobicContact CE1-CB 4.36Å; F304-V358 HydrophobicContact CE1-CG1 4.45Å; F304-V358 HydrophobicContact CE1-CG2 3.84Å; Y344-V358 HydrophobicContact CD1-CG1 3.89Å; Y344-V358 HydrophobicContact CD2-CG2 4.34Å; Y344-V358 HydrophobicContact CE1-CB 4.5Å; Y344-V358 HydrophobicContact CE1-CG1 4.18Å; Y344-V358 HydrophobicContact CE1-CG2 4.33Å; Y344-V358 HydrophobicContact CE2-CG2 4Å; Y344-V358 HydrophobicContact CG-CG1 4.08Å; T354-V358 HydrophobicContact CG2-CG2 4.45Å; T354-V358 VanDerWaalsContact O-CG2 3.28Å; T354-V358 WeakPolarHBondContact O-CG2 3.3Å; T354-V358 PolarHBondContact O-N 2.77Å; E355-V358 PolarHBondContact O-N 2.87Å; V358-K360 PolarHBondContact O-N 3.23Å; V358-T361 PolarHBondContact O-N 2.62Å; V358-V362 WeakPolarHBondContact O-CG2 3.48Å; V358-V362 PolarHBondContact O-N 2.92Å
359	E	89.6	Confident	87	Confident	78 Å²	78	51.8 Å²	51.8	36%	0.364	28%	0.284	S	S	.	.	H	α-helix	trans	-58.9	-48.9	177.3	-70.9	179.2	172	0	0	111.6	E355 T361 V362 D363 R374	E355-E359 WeakPolarHBondContact O-CG 3.32Å; E355-E359 PolarHBondContact O-N 2.88Å; E359-T361 VanDerWaalsContact C-N 3.31Å; E359-T361 PolarHBondContact O-N 3.04Å; E359-V362 WeakPolarHBondContact O-CB 3.48Å; E359-V362 PolarHBondContact O-N 2.96Å; E359-D363 PolarHBondContact O-N 3.19Å; E359-R374 IonicContact OE1-NH2 3.68Å
360	K	89.5	Confident	85.9	Confident	115 Å²	115	52.1 Å²	52.1	50%	0.5	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-39.7	175.4	-75	172.8	-177.4	174.7	0	112.6	L356 F357 V358 V362 D363 V364	L356-K360 WeakPolarHBondContact O-CB 3.48Å; L356-K360 VanDerWaalsContact O-CG 3.24Å; L356-K360 WeakPolarHBondContact O-CG 3.39Å; L356-K360 PolarHBondContact O-N 3.5Å; F357-K360 PolarHBondContact O-N 3.09Å; V358-K360 PolarHBondContact O-N 3.23Å; K360-V362 VanDerWaalsContact C-N 3.34Å; K360-D363 PolarHBondContact O-N 2.94Å; K360-V364 VanDerWaalsContact O-CG2 3.28Å; K360-V364 WeakPolarHBondContact O-CG2 3.27Å; K360-V364 PolarHBondContact O-N 3.34Å
361	T	92.3	Very high	84.8	Confident	8 Å²	8	56.6 Å²	56.6	5%	0.049	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-41	178.9	-59.6	0	0	0	0	110.7	F304 L314 F357 V358 E359 V364 Y365	F304-T361 HydrophobicContact CE1-CG2 4.15Å; F304-T361 HydrophobicContact CE2-CG2 4.15Å; F304-T361 HydrophobicContact CZ-CG2 3.66Å; L314-T361 HydrophobicContact CD2-CG2 3.49Å; L314-T361 VanDerWaalsContact CD2-CG2 3.49Å; F357-T361 WeakPolarHBondContact CE2-OG1 3.4Å; F357-T361 WeakPolarHBondContact CZ-OG1 3.43Å; F357-T361 WeakPolarHBondContact O-CB 3.39Å; F357-T361 PolarHBondContact O-N 2.52Å; F357-T361 PolarHBondContact O-OG1 3.4Å; V358-T361 PolarHBondContact O-N 2.62Å; E359-T361 VanDerWaalsContact C-N 3.31Å; E359-T361 PolarHBondContact O-N 3.04Å; T361-V364 PolarHBondContact O-N 3.47Å; T361-Y365 HydrophobicContact CG2-CD2 3.98Å; T361-Y365 HydrophobicContact CG2-CE2 4.01Å; T361-Y365 PolarHBondContact O-N 3.04Å
362	V	89.5	Confident	84.1	Confident	6 Å²	6	58.9 Å²	58.9	4%	0.036	32%	0.316	C	S	.	.	H	α-helix	trans	-60.4	-45	174.7	166.8	0	0	0	0	111	L342 V358 E359 K360 V364 Y365 Y366 I372 V400	L342-V362 HydrophobicContact CD2-CG2 4.43Å; V358-V362 WeakPolarHBondContact O-CG2 3.48Å; V358-V362 PolarHBondContact O-N 2.92Å; E359-V362 WeakPolarHBondContact O-CB 3.48Å; E359-V362 PolarHBondContact O-N 2.96Å; K360-V362 VanDerWaalsContact C-N 3.34Å; V362-V364 PolarHBondContact O-N 3.09Å; V362-Y365 PolarHBondContact O-N 3Å; V362-Y366 WeakPolarHBondContact O-CA 3.4Å; V362-Y366 WeakPolarHBondContact O-CB 3.49Å; V362-Y366 PolarHBondContact O-N 2.98Å; V362-I372 HydrophobicContact CG1-CD1 4.44Å; V362-I372 HydrophobicContact CG1-CG1 4.43Å; V362-V400 HydrophobicContact CG1-CG2 3.74Å; V362-V400 HydrophobicContact CG2-CG1 3.99Å; V362-V400 HydrophobicContact CG2-CG2 4.03Å
363	D	84.3	Confident	83.6	Confident	99 Å²	99	56.2 Å²	56.2	53%	0.529	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-25.4	-179.9	-76.9	-15.2	0	0	0	114.1	E359 K360	E359-D363 PolarHBondContact O-N 3.19Å; K360-D363 PolarHBondContact O-N 2.94Å
364	V	86.9	Confident	83.2	Confident	90 Å²	90	56.6 Å²	56.6	55%	0.545	30%	0.296	S	S	.	.	H	α-helix	trans	-96.7	-41.3	-179	-166.5	0	0	0	0	111.7	I259 K360 T361 V362	I259-V364 HydrophobicContact CD1-CB 4.06Å; I259-V364 HydrophobicContact CD1-CG1 3.19Å; I259-V364 HydrophobicContact CG1-CG1 4.47Å; K360-V364 VanDerWaalsContact O-CG2 3.28Å; K360-V364 WeakPolarHBondContact O-CG2 3.27Å; K360-V364 PolarHBondContact O-N 3.34Å; T361-V364 PolarHBondContact O-N 3.47Å; V362-V364 PolarHBondContact O-N 3.09Å
365	Y	89.8	Confident	82.6	Confident	23 Å²	23	57.2 Å²	57.2	9%	0.09	30%	0.3	C	S	.	.	H	α-helix	trans	-54.8	-56.7	168.7	52	-179.4	0	0	0	115	I259 L314 H315 H318 T361 V362	I259-Y365 HydrophobicContact CD1-CD1 4.09Å; I259-Y365 HydrophobicContact CD1-CD2 3.72Å; I259-Y365 HydrophobicContact CD1-CE1 3.88Å; I259-Y365 HydrophobicContact CD1-CE2 3.47Å; I259-Y365 VanDerWaalsContact CD1-CE2 3.47Å; I259-Y365 HydrophobicContact CD1-CG 3.99Å; I259-Y365 HydrophobicContact CG1-CD1 4.12Å; I259-Y365 HydrophobicContact CG1-CE1 3.72Å; I259-Y365 HydrophobicContact CG1-CE2 4.21Å; I259-Y365 HydrophobicContact CG2-CD1 4.1Å; I259-Y365 HydrophobicContact CG2-CE1 4.42Å; I259-Y365 HydrophobicContact CG2-CG 4.49Å; L314-Y365 HydrophobicContact CD2-CD2 3.78Å; L314-Y365 HydrophobicContact CD2-CE2 3.86Å; L314-Y365 HydrophobicContact CD2-CG 4.15Å; L314-Y365 HydrophobicContact CG-CD1 4.17Å; L314-Y365 HydrophobicContact CG-CD2 4.31Å; L314-Y365 HydrophobicContact CG-CE1 4.14Å; L314-Y365 HydrophobicContact CG-CE2 4.28Å; L314-Y365 HydrophobicContact CG-CG 4.29Å; H315-Y365 HydrophobicContact CB-CE1 4.24Å; H315-Y365 WeakPolarHBondContact CB-OH 3.31Å; H315-Y365 AromaticContact ND1-CE1 3.65Å; H315-Y365 AromaticContact ND1-CZ 3.85Å; H315-Y365 PolarHBondContact ND1-OH 2.82Å; H318-Y365 HydrophobicContact CB-CD1 3.71Å; H318-Y365 HydrophobicContact CB-CE1 3.86Å; H318-Y365 AromaticContact CG-CD1 3.69Å; T361-Y365 HydrophobicContact CG2-CD2 3.98Å; T361-Y365 HydrophobicContact CG2-CE2 4.01Å; T361-Y365 PolarHBondContact O-N 3.04Å; V362-Y365 PolarHBondContact O-N 3Å
366	Y	85.8	Confident	81.9	Confident	17 Å²	17	57.7 Å²	57.7	7%	0.067	30%	0.303	C	S	.	.	S	Bend	trans	-113	157.8	-164.7	-67.7	-95.6	0	0	0	109.2	L339 P340 L342 V362 S399 V400	L339-Y366 HydrophobicContact CB-CE1 3.81Å; L339-Y366 HydrophobicContact CD1-CE1 4.45Å; L339-Y366 HydrophobicContact CD1-CE2 4.28Å; P340-Y366 PolarHBondContact O-OH 3.28Å; L342-Y366 HydrophobicContact CB-CE2 3.92Å; L342-Y366 WeakPolarHBondContact CB-OH 3.49Å; L342-Y366 HydrophobicContact CD1-CE2 3.69Å; L342-Y366 HydrophobicContact CG-CE2 4.47Å; V362-Y366 WeakPolarHBondContact O-CA 3.4Å; V362-Y366 WeakPolarHBondContact O-CB 3.49Å; V362-Y366 PolarHBondContact O-N 2.98Å; Y366-S399 VanDerWaalsContact CD1-CB 3.48Å; Y366-V400 HydrophobicContact CD1-CG2 4.2Å; Y366-V400 HydrophobicContact CD2-CG2 4.12Å; Y366-V400 HydrophobicContact CE2-CG2 4.46Å; Y366-V400 HydrophobicContact CG-CG2 3.99Å
367	S	70.8	Confident	80.8	Confident	73 Å²	73	56.3 Å²	56.3	51%	0.51	30%	0.296	S	S	.	.			trans	-61.7	146.4	179.1	-178.6	0	0	0	0	110.3	S369 S370	S367-S369 WeakPolarHBondContact CB-OG 3.26Å; S367-S369 PolarHBondContact O-N 3.33Å; S367-S369 PolarHBondContact OG-N 3.36Å; S367-S369 PolarHBondContact OG-OG 2.97Å; S367-S370 WeakPolarHBondContact O-CB 3.41Å; S367-S370 PolarHBondContact O-N 3.33Å; S367-S370 PolarHBondContact O-OG 2.9Å
368	L	58.2	Low	79	Confident	157 Å²	157	61.1 Å²	61.1	82%	0.822	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-19	170.9	-76.3	162.3	0	0	0	113.4
369	S	56.4	Low	76.9	Confident	86 Å²	86	67.9 Å²	67.9	60%	0.601	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-10.7	174.7	60.9	0	0	0	0	114.2	S367 K371	S367-S369 WeakPolarHBondContact CB-OG 3.26Å; S367-S369 PolarHBondContact O-N 3.33Å; S367-S369 PolarHBondContact OG-N 3.36Å; S367-S369 PolarHBondContact OG-OG 2.97Å; S369-K371 PolarHBondContact O-N 3.4Å
370	S	64.8	Low	74.4	Confident	23 Å²	23	70.6 Å²	70.6	16%	0.161	37%	0.365	C	S	.	.			trans	-68.3	116	179.6	-69.4	0	0	0	0	109.1	S367 S399	S367-S370 WeakPolarHBondContact O-CB 3.41Å; S367-S370 PolarHBondContact O-N 3.33Å; S367-S370 PolarHBondContact O-OG 2.9Å; S370-S399 PolarHBondContact OG-OG 3.29Å
371	K	68.2	Low	71.9	Confident	110 Å²	110	72 Å²	72	48%	0.478	37%	0.374	S	S	.	.			trans	-76.4	130.2	175.4	-77.9	-176.8	170.8	176.4	0	109.8	S369 L373 M396	S369-K371 PolarHBondContact O-N 3.4Å; K371-L373 PolarHBondContact O-N 3.41Å; K371-M396 HydrophobicContact CD-CE 4.34Å; K371-M396 HydrophobicContact CD-SD 3.86Å; K371-M396 WeakPolarHBondContact CE-SD 3.3Å; K371-M396 PolarHBondContact NZ-SD 3.19Å
372	I	80.2	Confident	69.1	Low	65 Å²	65	79.6 Å²	79.6	33%	0.333	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	111.3	164.3	-59.7	177.4	0	0	0	107.2	V362 R374 V400 V402	V362-I372 HydrophobicContact CG1-CD1 4.44Å; V362-I372 HydrophobicContact CG1-CG1 4.43Å; I372-R374 HydrophobicContact CG2-CG 4.16Å; I372-V400 HydrophobicContact CG1-CB 4.38Å; I372-V400 HydrophobicContact CG1-CG1 4.33Å; I372-V400 HydrophobicContact CG2-CG1 4.48Å; I372-V402 HydrophobicContact CG2-CG2 3.57Å
373	L	85.2	Confident	66.3	Low	21 Å²	21	90.5 Å²	90.5	11%	0.11	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.3	173.9	-177.6	68.6	0	0	0	109.7	K371 P375 K378 N398 V400 V401 V402 Y418	K371-L373 PolarHBondContact O-N 3.41Å; L373-P375 HydrophobicContact CD2-CG 4.05Å; L373-P375 HydrophobicContact CG-CG 4Å; L373-K378 HydrophobicContact CD1-CD 4.24Å; L373-N398 HydrophobicContact CB-CB 4.27Å; L373-V400 PolarHBondContact N-O 2.92Å; L373-V401 HydrophobicContact CB-CG1 4.31Å; L373-V401 HydrophobicContact CD2-CG1 4.25Å; L373-V401 HydrophobicContact CG-CG1 4.47Å; L373-V401 WeakPolarHBondContact O-CA 3.35Å; L373-V402 PolarHBondContact O-N 3.2Å; L373-Y418 WeakPolarHBondContact CD2-OH 3.2Å
374	R	86.1	Confident	63.5	Low	77 Å²	77	93.7 Å²	93.7	29%	0.291	46%	0.461	S	S	.	.			trans	-119.7	84.6	173.2	-57	-171.1	172.6	175.8	0.9	109.5	E359 I372 D376 L377 K378 V402	E359-R374 IonicContact OE1-NH2 3.68Å; I372-R374 HydrophobicContact CG2-CG 4.16Å; R374-D376 PolarHBondContact O-N 3.5Å; R374-L377 HydrophobicContact CB-CB 4.23Å; R374-L377 HydrophobicContact CB-CD1 3.89Å; R374-L377 HydrophobicContact CB-CG 4.11Å; R374-L377 HydrophobicContact CG-CD1 4.26Å; R374-L377 PolarHBondContact O-N 2.8Å; R374-K378 PolarHBondContact O-N 3.33Å; R374-V402 HydrophobicContact CG-CB 4.16Å
375	P	82.8	Confident	60.7	Low	20 Å²	20	96 Å²	96	13%	0.13	48%	0.475	C	S	.	.	H	α-helix	trans	-56.8	-34.5	-174.9	-27.3	38.6	0	0	0	113.2	L373 L377 K378 V401 V402 Y403	L373-P375 HydrophobicContact CD2-CG 4.05Å; L373-P375 HydrophobicContact CG-CG 4Å; P375-L377 VanDerWaalsContact C-N 3.34Å; P375-L377 PolarHBondContact O-N 3.31Å; P375-K378 PolarHBondContact O-N 2.94Å; P375-V401 HydrophobicContact CG-CG1 4.16Å; P375-V402 WeakPolarHBondContact CD-O 3.29Å; P375-Y403 HydrophobicContact CB-CE1 4.06Å; P375-Y403 HydrophobicContact CG-CE1 3.91Å; P375-Y403 HydrophobicContact CG-CE2 4.18Å
376	D	79.9	Confident	57.6	Low	31 Å²	31	102.5 Å²	102.5	17%	0.166	51%	0.511	C	S	.	.	H	α-helix	trans	-71.2	-25.6	-177	-62.7	-23.4	0	0	0	113.8	R374 E404 R413	R374-D376 PolarHBondContact O-N 3.5Å; D376-E404 PolarHBondContact OD2-N 2.95Å; D376-R413 IonicContact OD1-CZ 2.64Å; D376-R413 IonicContact OD1-NH1 2.65Å; D376-R413 PolarHBondContact OD1-NH1 3.01Å; D376-R413 IonicContact OD2-CZ 3.22Å; D376-R413 IonicContact OD2-NH1 3.49Å; D376-R413 PolarHBondContact OD2-NH1 3.44Å; D376-R413 IonicContact OD2-NH2 3.46Å
377	L	67.8	Low	54.8	Low	63 Å²	63	107.7 Å²	107.7	33%	0.33	54%	0.544	S	S	.	.	H	α-helix	trans	-80.7	-32	175.3	-65.6	179.1	0	0	0	112.1	R374 P375 Q379 N380 E381	R374-L377 HydrophobicContact CB-CB 4.23Å; R374-L377 HydrophobicContact CB-CD1 3.89Å; R374-L377 HydrophobicContact CB-CG 4.11Å; R374-L377 HydrophobicContact CG-CD1 4.26Å; R374-L377 PolarHBondContact O-N 2.8Å; P375-L377 VanDerWaalsContact C-N 3.34Å; P375-L377 PolarHBondContact O-N 3.31Å; L377-Q379 PolarHBondContact O-N 2.88Å; L377-N380 PolarHBondContact O-N 3.38Å; L377-E381 PolarHBondContact O-N 3.2Å
378	K	56.8	Low	52.7	Low	114 Å²	114	111.5 Å²	111.5	50%	0.496	56%	0.559	S	S	.	*	H	α-helix	trans	-63.5	-29.9	179.2	-70.8	-172.9	174.6	-176	0	112.8	L373 R374 P375 N380 Q382	L373-K378 HydrophobicContact CD1-CD 4.24Å; R374-K378 PolarHBondContact O-N 3.33Å; P375-K378 PolarHBondContact O-N 2.94Å; K378-N380 VanDerWaalsContact C-N 3.26Å; K378-N380 PolarHBondContact O-N 3.4Å; K378-Q382 PolarHBondContact O-N 3.31Å
379	Q	49.5	Very low	51.5	Low	150 Å²	150	109.6 Å²	109.6	70%	0.701	56%	0.559	S	S	*	*	H	α-helix	trans	-68.9	-22.6	175.8	-66.8	-171.9	3.6	0	0	113	L377	L377-Q379 PolarHBondContact O-N 2.88Å
380	N	36.7	Very low	50.1	Low	135 Å²	135	115 Å²	115	72%	0.722	58%	0.575	S	S	*	*	H	α-helix	trans	-90.3	-26.9	176.6	-85.4	-25.3	0	0	0	113.7	L377 K378	L377-N380 PolarHBondContact O-N 3.38Å; K378-N380 VanDerWaalsContact C-N 3.26Å; K378-N380 PolarHBondContact O-N 3.4Å
381	E	38.8	Very low	48.5	Very low	145 Å²	145	119.3 Å²	119.3	68%	0.678	61%	0.605	S	S	*	*	H	α-helix	trans	-85.1	-17.4	-178.8	-70.1	-178.4	162.5	0	0	113.9	L377 R383 Q384	L377-E381 PolarHBondContact O-N 3.2Å; E381-R383 PolarHBondContact O-N 3.43Å; E381-Q384 PolarHBondContact O-N 2.71Å
382	Q	32.4	Very low	46.8	Very low	166 Å²	166	119 Å²	119	78%	0.776	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	13.9	176.2	-81.9	172.9	-25.9	0	0	115.2	K378	K378-Q382 PolarHBondContact O-N 3.31Å
383	R	30.3	Very low	44.4	Very low	236 Å²	236	121.6 Å²	121.6	89%	0.891	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-2.6	165.2	-69.3	-167.9	-170.3	-163.1	4	114.7	E381	E381-R383 PolarHBondContact O-N 3.43Å
384	Q	26.9	Very low	41.7	Very low	166 Å²	166	125.2 Å²	125.2	78%	0.776	67%	0.666	S	S	*	*	S	Bend	trans	-146.7	129.7	172.8	-100.5	166.8	10.2	0	0	111.4	E381	E381-Q384 PolarHBondContact O-N 2.71Å
385	T	27	Very low	39.3	Very low	139 Å²	139	127.5 Å²	127.5	85%	0.853	69%	0.694	S	S	*	*			trans	88.3	74.4	172	72.3	0	0	0	0	117.4
386	D	26.1	Very low	37.4	Very low	159 Å²	159	131.8 Å²	131.8	85%	0.85	71%	0.714	S	S	*	*			trans	-65.6	152.4	131.7	-71.5	-44.3	0	0	0	108.9
387	V	26.8	Very low	36.3	Very low	125 Å²	125	132.6 Å²	132.6	76%	0.758	72%	0.718	S	S	*	*			trans	109.7	108.4	174.2	-172.6	0	0	0	0	114.4
388	N	26.8	Very low	36	Very low	153 Å²	153	131.8 Å²	131.8	82%	0.818	71%	0.714	S	S	*	*			trans	77	87.9	160.6	-63.2	-14	0	0	0	119
389	S	32.1	Very low	37.3	Very low	117 Å²	117	126.9 Å²	126.9	82%	0.818	69%	0.694	S	S	*	*			trans	-154.1	107.4	135.1	42.1	0	0	0	0	110.8	S391	S389-S391 PolarHBondContact O-N 2.94Å
390	Q	27.6	Very low	39.3	Very low	201 Å²	201	119.8 Å²	119.8	94%	0.939	66%	0.661	S	S	*	*			trans	-64.7	113.1	166.1	-71.8	176.8	-11.9	0	0	107.4	S392	Q390-S392 PolarHBondContact O-N 2.9Å; Q390-S392 VanDerWaalsContact O-N 3.11Å
391	S	29.7	Very low	42	Very low	112 Å²	112	113.4 Å²	113.4	78%	0.783	63%	0.627	S	S	*	*			trans	-68.1	104.6	179.1	53.8	0	0	0	0	110.2	S389 S393	S389-S391 PolarHBondContact O-N 2.94Å; S391-S393 PolarHBondContact O-N 2.59Å
392	S	33.2	Very low	44.6	Very low	103 Å²	103	106.9 Å²	106.9	72%	0.72	60%	0.597	S	S	*	*			trans	-57.4	115.3	157.3	50.8	0	0	0	0	108.5	Q390 C394	Q390-S392 PolarHBondContact O-N 2.9Å; Q390-S392 VanDerWaalsContact O-N 3.11Å; S392-C394 PolarHBondContact O-N 3.32Å
393	S	29.4	Very low	47.5	Very low	121 Å²	121	99 Å²	99	85%	0.846	56%	0.56	S	S	*	*			trans	-72.9	61.9	-178.5	61.1	0	0	0	0	112.3	S391	S391-S393 PolarHBondContact O-N 2.59Å
394	C	29.4	Very low	50.4	Low	96 Å²	96	91.2 Å²	91.2	65%	0.649	53%	0.534	S	S	*	.			trans	-86.6	122	151.5	-65.4	0	0	0	0	105.4	S392 M396	S392-C394 PolarHBondContact O-N 3.32Å; C394-M396 PolarHBondContact O-N 3.03Å
395	S	35.1	Very low	53.4	Low	126 Å²	126	84.6 Å²	84.6	88%	0.881	51%	0.511	S	S	*	.			trans	-59.3	88.7	172.2	51.3	0	0	0	0	108.9	D397	S395-D397 PolarHBondContact O-N 3.44Å
396	M	43.9	Very low	56.5	Low	109 Å²	109	81.5 Å²	81.5	54%	0.537	50%	0.495	S	S	.	.			trans	-75.3	105.5	-175.6	-79.7	-165.6	134.1	0	0	108.8	K371 C394 N398	K371-M396 HydrophobicContact CD-CE 4.34Å; K371-M396 HydrophobicContact CD-SD 3.86Å; K371-M396 WeakPolarHBondContact CE-SD 3.3Å; K371-M396 PolarHBondContact NZ-SD 3.19Å; C394-M396 PolarHBondContact O-N 3.03Å; M396-N398 PolarHBondContact O-N 3.41Å
397	D	55.7	Low	59.6	Low	49 Å²	49	79.1 Å²	79.1	26%	0.262	48%	0.481	S	S	.	.			trans	-75.7	115.3	176.1	-179.4	32.8	0	0	0	110.8	R338 K341 S395 S399	R338-D397 IonicContact CZ-OD1 3.93Å; R338-D397 IonicContact CZ-OD2 3.82Å; R338-D397 IonicContact NE-OD2 3.73Å; R338-D397 PolarHBondContact NE-OD2 3.49Å; R338-D397 IonicContact NH2-OD1 3.13Å; R338-D397 PolarHBondContact NH2-OD1 3.18Å; R338-D397 IonicContact NH2-OD2 3.63Å; R338-D397 PolarHBondContact NH2-OD2 2.88Å; K341-D397 IonicContact NZ-OD1 2.64Å; K341-D397 PolarHBondContact NZ-OD1 2.91Å; S395-D397 PolarHBondContact O-N 3.44Å; D397-S399 VanDerWaalsContact C-N 3.29Å; D397-S399 PolarHBondContact O-N 3.43Å; D397-S399 PolarHBondContact O-OG 2.97Å; D397-S399 PolarHBondContact OD2-OG 3.38Å
398	N	62.5	Low	62.8	Low	45 Å²	45	77.7 Å²	77.7	24%	0.241	46%	0.464	C	S	.	.			trans	-76.1	84.1	168.7	-65.4	-31.4	0	0	0	108.4	K341 L373 M396 V400	K341-N398 PolarHBondContact NZ-O 3.43Å; L373-N398 HydrophobicContact CB-CB 4.27Å; M396-N398 PolarHBondContact O-N 3.41Å; N398-V400 VanDerWaalsContact C-N 3.3Å
399	S	84	Confident	66	Low	11 Å²	11	72.8 Å²	72.8	8%	0.077	44%	0.442	C	S	.	.			trans	-75.5	-18.3	-178.5	-40.3	0	0	0	0	113.1	K341 L342 Y366 S370 D397	K341-S399 CarbonylContact C-O 3.46Å; K341-S399 VanDerWaalsContact CA-O 3.3Å; K341-S399 WeakPolarHBondContact CA-O 3.32Å; L342-S399 PolarHBondContact N-O 3.33Å; Y366-S399 VanDerWaalsContact CD1-CB 3.48Å; S370-S399 PolarHBondContact OG-OG 3.29Å; D397-S399 VanDerWaalsContact C-N 3.29Å; D397-S399 PolarHBondContact O-N 3.43Å; D397-S399 PolarHBondContact O-OG 2.97Å; D397-S399 PolarHBondContact OD2-OG 3.38Å
400	V	90	Very high	69	Low	2 Å²	2	67.2 Å²	67.2	1%	0.012	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.8	-179.2	-177.5	0	0	0	0	110.2	L342 V362 Y366 I372 L373 N398	L342-V400 HydrophobicContact CB-CG1 4.39Å; L342-V400 HydrophobicContact CB-CG2 4.18Å; L342-V400 HydrophobicContact CD2-CG1 3.87Å; L342-V400 WeakPolarHBondContact O-CA 3.25Å; V362-V400 HydrophobicContact CG1-CG2 3.74Å; V362-V400 HydrophobicContact CG2-CG1 3.99Å; V362-V400 HydrophobicContact CG2-CG2 4.03Å; Y366-V400 HydrophobicContact CD1-CG2 4.2Å; Y366-V400 HydrophobicContact CD2-CG2 4.12Å; Y366-V400 HydrophobicContact CE2-CG2 4.46Å; Y366-V400 HydrophobicContact CG-CG2 3.99Å; I372-V400 HydrophobicContact CG1-CB 4.38Å; I372-V400 HydrophobicContact CG1-CG1 4.33Å; I372-V400 HydrophobicContact CG2-CG1 4.48Å; L373-V400 PolarHBondContact N-O 2.92Å; N398-V400 VanDerWaalsContact C-N 3.3Å
401	V	93.3	Very high	72.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.2	-178.6	-163.5	0	0	0	0	110.3	L342 Y344 L373 P375 Y403 Y418	L342-V401 PolarHBondContact O-N 3.34Å; Y344-V401 PolarHBondContact N-O 3.4Å; L373-V401 HydrophobicContact CB-CG1 4.31Å; L373-V401 HydrophobicContact CD2-CG1 4.25Å; L373-V401 HydrophobicContact CG-CG1 4.47Å; L373-V401 WeakPolarHBondContact O-CA 3.35Å; P375-V401 HydrophobicContact CG-CG1 4.16Å; V401-Y403 HydrophobicContact CB-CE2 4.4Å; V401-Y403 HydrophobicContact CG1-CD2 3.99Å; V401-Y403 HydrophobicContact CG1-CE2 3.37Å; V401-Y418 HydrophobicContact CG1-CE2 4.17Å; V401-Y418 HydrophobicContact CG2-CE2 4.03Å
402	V	93.5	Very high	75.4	Confident	9 Å²	9	59 Å²	59	6%	0.055	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.5	-179	-172.9	0	0	0	0	109.9	Y344 R346 I372 L373 R374 P375	Y344-V402 HydrophobicContact CD1-CG1 3.74Å; Y344-V402 HydrophobicContact CD1-CG2 4.11Å; Y344-V402 HydrophobicContact CE1-CG1 4.41Å; Y344-V402 HydrophobicContact CG-CG1 4.47Å; Y344-V402 VanDerWaalsContact O-CA 3.25Å; Y344-V402 WeakPolarHBondContact O-CA 3.36Å; R346-V402 HydrophobicContact CB-CG1 4.02Å; I372-V402 HydrophobicContact CG2-CG2 3.57Å; L373-V402 PolarHBondContact O-N 3.2Å; R374-V402 HydrophobicContact CG-CB 4.16Å; P375-V402 WeakPolarHBondContact CD-O 3.29Å
403	Y	94.4	Very high	78.3	Confident	1 Å²	1	57.8 Å²	57.8	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	146.4	171.2	-73.2	-97.9	0	0	0	109.9	L343 Y344 I345 R346 P375 V401 R413 F414 D417	L343-Y403 HydrophobicContact CD1-CD2 3.83Å; L343-Y403 HydrophobicContact CD1-CE2 4.36Å; Y344-Y403 PolarHBondContact O-N 3.47Å; Y344-Y403 VanDerWaalsContact O-N 3.1Å; I345-Y403 CarbonylContact C-O 3.59Å; I345-Y403 WeakPolarHBondContact CA-O 3.34Å; R346-Y403 PolarHBondContact N-O 2.76Å; P375-Y403 HydrophobicContact CB-CE1 4.06Å; P375-Y403 HydrophobicContact CG-CE1 3.91Å; P375-Y403 HydrophobicContact CG-CE2 4.18Å; V401-Y403 HydrophobicContact CB-CE2 4.4Å; V401-Y403 HydrophobicContact CG1-CD2 3.99Å; V401-Y403 HydrophobicContact CG1-CE2 3.37Å; Y403-R413 HydrophobicContact CD1-CB 4.06Å; Y403-R413 HydrophobicContact CE1-CB 3.78Å; Y403-F414 HydrophobicContact CD2-CB 4.09Å; Y403-F414 HydrophobicContact CD2-CD2 4.44Å; Y403-F414 HydrophobicContact CE2-CB 3.66Å; Y403-F414 AromaticContact CE2-CD2 3.64Å; Y403-F414 HydrophobicContact CE2-CD2 3.64Å; Y403-F414 HydrophobicContact CE2-CG 4.11Å; Y403-D417 WeakPolarHBondContact OH-CB 3.4Å; Y403-D417 PolarHBondContact OH-OD2 3.33Å
404	E	91.8	Very high	81.5	Confident	71 Å²	71	52 Å²	52	33%	0.332	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	148.7	177.5	-58.1	-168	156.1	0	0	111.2	R346 D376 R413	R346-E404 HydrophobicContact CB-CG 4.42Å; R346-E404 IonicContact NH1-OE1 2.71Å; R346-E404 PolarHBondContact NH1-OE1 3.37Å; R346-E404 WeakPolarHBondContact O-CA 3.42Å; D376-E404 PolarHBondContact OD2-N 2.95Å; E404-R413 PolarHBondContact O-NH2 2.64Å
405	G	89.3	Confident	84.7	Confident	28 Å²	28	48.9 Å²	48.9	29%	0.289	27%	0.269	S	S	.	.	S	Bend	trans	108.1	-154.7	171.8	0	0	0	0	0	114.4	R346	R346-G405 PolarHBondContact O-N 3.39Å; R346-G405 VanDerWaalsContact O-N 3.07Å
406	S	90.9	Very high	87.6	Confident	74 Å²	74	45.6 Å²	45.6	52%	0.517	26%	0.255	S	S	.	.			trans	-71.5	145.7	-175.8	75.3	0	0	0	0	111.6	K408 S409 A410	S406-K408 PolarHBondContact O-N 3.02Å; S406-S409 PolarHBondContact O-N 3.3Å; S406-S409 VanDerWaalsContact O-N 3.16Å; S406-S409 WeakPolarHBondContact OG-CB 3.15Å; S406-S409 PolarHBondContact OG-N 3.11Å; S406-A410 VanDerWaalsContact O-CB 3.29Å; S406-A410 WeakPolarHBondContact O-CB 3.47Å; S406-A410 PolarHBondContact O-N 3.46Å
407	I	91.9	Very high	89.9	Confident	108 Å²	108	44.9 Å²	44.9	55%	0.554	25%	0.253	S	S	*	.	H	α-helix	trans	-51.9	-46.1	-178.9	-58.6	175.7	0	0	0	111.1	I345 L411 W448	I345-I407 HydrophobicContact CD1-CG2 4.06Å; I407-L411 WeakPolarHBondContact O-CB 3.41Å; I407-L411 PolarHBondContact O-N 3.04Å; I407-W448 HydrophobicContact CB-CZ3 4.32Å; I407-W448 HydrophobicContact CG2-CH2 4.43Å; I407-W448 HydrophobicContact CG2-CZ3 3.92Å
408	K	94.1	Very high	91.8	Very high	96 Å²	96	43.8 Å²	43.8	42%	0.417	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-47.7	-178.9	-177.6	172.1	167.5	172.9	0	112.5	S406 E412 G447 W448	S406-K408 PolarHBondContact O-N 3.02Å; K408-E412 PolarHBondContact O-N 3.34Å; K408-G447 WeakPolarHBondContact CE-O 3.5Å; K408-G447 PolarHBondContact NZ-O 2.92Å; K408-W448 HydrophobicContact CB-CE3 4.04Å; K408-W448 HydrophobicContact CB-CH2 4.2Å; K408-W448 HydrophobicContact CB-CZ3 3.77Å; K408-W448 HydrophobicContact CG-CE3 4.22Å; K408-W448 HydrophobicContact CG-CZ3 4.45Å
409	S	94.1	Very high	93.3	Very high	49 Å²	49	45.9 Å²	45.9	34%	0.343	26%	0.262	S	S	.	.	H	α-helix	trans	-71.7	-38	-178.5	174.3	0	0	0	0	112.6	S406 E412 R413	S406-S409 PolarHBondContact O-N 3.3Å; S406-S409 VanDerWaalsContact O-N 3.16Å; S406-S409 WeakPolarHBondContact OG-CB 3.15Å; S406-S409 PolarHBondContact OG-N 3.11Å; S409-E412 PolarHBondContact O-N 3.4Å; S409-R413 PolarHBondContact O-N 2.86Å; S409-R413 VanDerWaalsContact O-N 3.17Å; S409-R413 PolarHBondContact O-NE 2.97Å; S409-R413 VanDerWaalsContact O-NE 3.16Å
410	A	94.6	Very high	93.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-43.4	174.7	0	0	0	0	0	111.4	I345 S406 R413 F414	I345-A410 HydrophobicContact CB-CB 4.35Å; I345-A410 HydrophobicContact CD1-CB 3.94Å; I345-A410 HydrophobicContact CG1-CB 3.92Å; I345-A410 HydrophobicContact CG2-CB 3.54Å; S406-A410 VanDerWaalsContact O-CB 3.29Å; S406-A410 WeakPolarHBondContact O-CB 3.47Å; S406-A410 PolarHBondContact O-N 3.46Å; A410-R413 PolarHBondContact O-N 3.5Å; A410-F414 WeakPolarHBondContact O-CB 3.12Å; A410-F414 PolarHBondContact O-N 2.94Å
411	L	95.5	Very high	94.2	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.094	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-40.3	176.7	-177	63.6	0	0	0	112.3	L343 I407 F414 L415 P449 I451	L343-L411 HydrophobicContact CD2-CD1 4.37Å; I407-L411 WeakPolarHBondContact O-CB 3.41Å; I407-L411 PolarHBondContact O-N 3.04Å; L411-F414 HydrophobicContact CD1-CD1 4.26Å; L411-F414 PolarHBondContact O-N 2.92Å; L411-L415 HydrophobicContact CD1-CD1 4.08Å; L411-L415 HydrophobicContact CD1-CG 4.17Å; L411-L415 HydrophobicContact CG-CD1 4.05Å; L411-L415 HydrophobicContact CG-CG 4.48Å; L411-L415 WeakPolarHBondContact O-CG 3.39Å; L411-L415 PolarHBondContact O-N 3.4Å; L411-P449 HydrophobicContact CB-CG 4.27Å; L411-P449 HydrophobicContact CD2-CB 3.97Å; L411-P449 HydrophobicContact CD2-CG 4.21Å; L411-P449 HydrophobicContact CG-CB 3.92Å; L411-P449 HydrophobicContact CG-CG 4.17Å; L411-I451 HydrophobicContact CD2-CG2 4.22Å
412	E	96.1	Very high	94.4	Very high	123 Å²	123	56 Å²	56	58%	0.575	30%	0.302	S	S	*	.	H	α-helix	trans	-60.7	-46.5	176.9	-172.4	168.6	-157.7	0	0	111.9	K408 S409 L415 G416 P449	K408-E412 PolarHBondContact O-N 3.34Å; S409-E412 PolarHBondContact O-N 3.4Å; E412-L415 PolarHBondContact O-N 3.32Å; E412-G416 PolarHBondContact O-N 3.38Å; E412-G416 VanDerWaalsContact O-N 3.07Å; E412-P449 HydrophobicContact CB-CG 3.79Å; E412-P449 HydrophobicContact CG-CG 4.5Å
413	R	95.5	Very high	94.6	Very high	77 Å²	77	55.6 Å²	55.6	29%	0.291	30%	0.299	S	S	.	.	H	α-helix	trans	-64.7	-44.7	175.8	-73.5	176.6	-71.3	139.4	-1.3	112.1	D376 Y403 E404 S409 A410 L415 G416 D417	D376-R413 IonicContact OD1-CZ 2.64Å; D376-R413 IonicContact OD1-NH1 2.65Å; D376-R413 PolarHBondContact OD1-NH1 3.01Å; D376-R413 IonicContact OD2-CZ 3.22Å; D376-R413 IonicContact OD2-NH1 3.49Å; D376-R413 PolarHBondContact OD2-NH1 3.44Å; D376-R413 IonicContact OD2-NH2 3.46Å; Y403-R413 HydrophobicContact CD1-CB 4.06Å; Y403-R413 HydrophobicContact CE1-CB 3.78Å; E404-R413 PolarHBondContact O-NH2 2.64Å; S409-R413 PolarHBondContact O-N 2.86Å; S409-R413 VanDerWaalsContact O-N 3.17Å; S409-R413 PolarHBondContact O-NE 2.97Å; S409-R413 VanDerWaalsContact O-NE 3.16Å; A410-R413 PolarHBondContact O-N 3.5Å; R413-L415 VanDerWaalsContact C-N 3.35Å; R413-L415 PolarHBondContact O-N 3.32Å; R413-G416 WeakPolarHBondContact O-CA 3.4Å; R413-G416 PolarHBondContact O-N 3.39Å; R413-G416 VanDerWaalsContact O-N 3.09Å; R413-D417 PolarHBondContact O-N 2.76Å
414	F	95.9	Very high	94.8	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-56.1	-47.1	176.3	171.9	-108.2	0	0	0	112.4	V301 L343 Y403 A410 L411 G416 D417 Y418 I421	V301-F414 HydrophobicContact CB-CE1 4.33Å; V301-F414 HydrophobicContact CB-CZ 4.15Å; V301-F414 HydrophobicContact CG1-CE1 4.15Å; V301-F414 HydrophobicContact CG1-CZ 4.47Å; V301-F414 HydrophobicContact CG2-CE1 4.1Å; V301-F414 HydrophobicContact CG2-CZ 3.71Å; L343-F414 HydrophobicContact CD1-CB 4.43Å; L343-F414 HydrophobicContact CD1-CD2 4.01Å; L343-F414 HydrophobicContact CD1-CE2 4.41Å; L343-F414 HydrophobicContact CD1-CG 4.07Å; L343-F414 HydrophobicContact CD2-CD1 3.82Å; L343-F414 HydrophobicContact CD2-CE1 4.09Å; L343-F414 HydrophobicContact CD2-CG 4.11Å; Y403-F414 HydrophobicContact CD2-CB 4.09Å; Y403-F414 HydrophobicContact CD2-CD2 4.44Å; Y403-F414 HydrophobicContact CE2-CB 3.66Å; Y403-F414 AromaticContact CE2-CD2 3.64Å; Y403-F414 HydrophobicContact CE2-CD2 3.64Å; Y403-F414 HydrophobicContact CE2-CG 4.11Å; A410-F414 WeakPolarHBondContact O-CB 3.12Å; A410-F414 PolarHBondContact O-N 2.94Å; L411-F414 HydrophobicContact CD1-CD1 4.26Å; L411-F414 PolarHBondContact O-N 2.92Å; F414-G416 VanDerWaalsContact C-N 3.27Å; F414-G416 PolarHBondContact O-N 3.17Å; F414-D417 PolarHBondContact O-N 2.96Å; F414-Y418 AromaticContact CD2-CD2 3.43Å; F414-Y418 HydrophobicContact CD2-CD2 3.43Å; F414-Y418 VanDerWaalsContact CD2-CD2 3.43Å; F414-Y418 AromaticContact CD2-CE2 3.93Å; F414-Y418 HydrophobicContact CD2-CE2 3.93Å; F414-Y418 HydrophobicContact CD2-CG 4.34Å; F414-Y418 AromaticContact CE2-CD2 3.35Å; F414-Y418 HydrophobicContact CE2-CD2 3.35Å; F414-Y418 AromaticContact CE2-CE2 3.87Å; F414-Y418 HydrophobicContact CE2-CE2 3.87Å; F414-Y418 AromaticContact CE2-CG 3.93Å; F414-Y418 HydrophobicContact CE2-CG 3.93Å; F414-Y418 HydrophobicContact CG-CD2 4.41Å; F414-Y418 HydrophobicContact CZ-CD2 4.27Å; F414-Y418 HydrophobicContact CZ-CG 4.47Å; F414-Y418 WeakPolarHBondContact O-CD2 3.2Å; F414-Y418 PolarHBondContact O-N 2.64Å; F414-I421 HydrophobicContact CE1-CB 4.47Å; F414-I421 HydrophobicContact CE1-CG1 4.13Å; F414-I421 HydrophobicContact CE1-CG2 4.21Å; F414-I421 HydrophobicContact CZ-CD1 4.4Å; F414-I421 HydrophobicContact CZ-CG1 3.94Å
415	L	96.5	Very high	95.1	Very high	30 Å²	30	52.2 Å²	52.2	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-71.3	-22.9	178.7	-64.7	173.7	0	0	0	113.1	L411 E412 R413 Y418 P419 I421 P449 I451	L411-L415 HydrophobicContact CD1-CD1 4.08Å; L411-L415 HydrophobicContact CD1-CG 4.17Å; L411-L415 HydrophobicContact CG-CD1 4.05Å; L411-L415 HydrophobicContact CG-CG 4.48Å; L411-L415 WeakPolarHBondContact O-CG 3.39Å; L411-L415 PolarHBondContact O-N 3.4Å; E412-L415 PolarHBondContact O-N 3.32Å; R413-L415 VanDerWaalsContact C-N 3.35Å; R413-L415 PolarHBondContact O-N 3.32Å; L415-Y418 CarbonylContact O-C 3.56Å; L415-P419 WeakPolarHBondContact O-CA 3.3Å; L415-I421 HydrophobicContact CD2-CB 4.1Å; L415-I421 HydrophobicContact CD2-CG2 4.08Å; L415-P449 HydrophobicContact CD1-CB 3.76Å; L415-I451 HydrophobicContact CD1-CB 4.31Å; L415-I451 HydrophobicContact CD2-CD1 4.04Å
416	G	95.2	Very high	95.5	Very high	57 Å²	57	53.3 Å²	53.3	59%	0.588	28%	0.282	S	S	*	.	H	α-helix	trans	-68.5	-42	168.4	0	0	0	0	0	112.7	E412 R413 F414	E412-G416 PolarHBondContact O-N 3.38Å; E412-G416 VanDerWaalsContact O-N 3.07Å; R413-G416 WeakPolarHBondContact O-CA 3.4Å; R413-G416 PolarHBondContact O-N 3.39Å; R413-G416 VanDerWaalsContact O-N 3.09Å; F414-G416 VanDerWaalsContact C-N 3.27Å; F414-G416 PolarHBondContact O-N 3.17Å
417	D	93.9	Very high	95.7	Very high	94 Å²	94	50.6 Å²	50.6	50%	0.503	27%	0.265	S	S	.	.	H	α-helix	trans	-76.1	-27.6	178.8	-68.5	-24.5	0	0	0	112.7	Y403 R413 F414	Y403-D417 WeakPolarHBondContact OH-CB 3.4Å; Y403-D417 PolarHBondContact OH-OD2 3.33Å; R413-D417 PolarHBondContact O-N 2.76Å; F414-D417 PolarHBondContact O-N 2.96Å
418	Y	94.4	Very high	96	Very high	25 Å²	25	46.1 Å²	46.1	10%	0.098	24%	0.243	C	C	.	.			trans	-129.7	69.4	-177.6	-60.1	-83.5	0	0	0	111.9	K341 L373 V401 F414 L415 E420 I421	K341-Y418 HydrophobicContact CD-CD1 4.21Å; K341-Y418 HydrophobicContact CD-CE1 4.09Å; L373-Y418 WeakPolarHBondContact CD2-OH 3.2Å; V401-Y418 HydrophobicContact CG1-CE2 4.17Å; V401-Y418 HydrophobicContact CG2-CE2 4.03Å; F414-Y418 AromaticContact CD2-CD2 3.43Å; F414-Y418 HydrophobicContact CD2-CD2 3.43Å; F414-Y418 VanDerWaalsContact CD2-CD2 3.43Å; F414-Y418 AromaticContact CD2-CE2 3.93Å; F414-Y418 HydrophobicContact CD2-CE2 3.93Å; F414-Y418 HydrophobicContact CD2-CG 4.34Å; F414-Y418 AromaticContact CE2-CD2 3.35Å; F414-Y418 HydrophobicContact CE2-CD2 3.35Å; F414-Y418 AromaticContact CE2-CE2 3.87Å; F414-Y418 HydrophobicContact CE2-CE2 3.87Å; F414-Y418 AromaticContact CE2-CG 3.93Å; F414-Y418 HydrophobicContact CE2-CG 3.93Å; F414-Y418 HydrophobicContact CG-CD2 4.41Å; F414-Y418 HydrophobicContact CZ-CD2 4.27Å; F414-Y418 HydrophobicContact CZ-CG 4.47Å; F414-Y418 WeakPolarHBondContact O-CD2 3.2Å; F414-Y418 PolarHBondContact O-N 2.64Å; L415-Y418 CarbonylContact O-C 3.56Å; Y418-E420 VanDerWaalsContact C-OE2 3.23Å; Y418-E420 WeakPolarHBondContact CA-OE2 3.32Å; Y418-E420 PolarHBondContact O-N 2.86Å; Y418-I421 PolarHBondContact O-N 3.02Å
419	P	95	Very high	96.1	Very high	90 Å²	90	41.6 Å²	41.6	58%	0.584	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-14	-175.7	29.4	-37.1	0	0	0	114.2	L415 I421	L415-P419 WeakPolarHBondContact O-CA 3.3Å; P419-I421 VanDerWaalsContact C-N 3.3Å
420	E	95.4	Very high	96.2	Very high	74 Å²	74	43 Å²	43	35%	0.346	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-22	174.3	70.4	-84.1	-161.5	0	0	113.3	S298 Y418 R422	S298-E420 WeakPolarHBondContact O-CG 3.45Å; Y418-E420 VanDerWaalsContact C-OE2 3.23Å; Y418-E420 WeakPolarHBondContact CA-OE2 3.32Å; Y418-E420 PolarHBondContact O-N 2.86Å; E420-R422 WeakPolarHBondContact O-CG 3.15Å; E420-R422 PolarHBondContact O-N 2.8Å
421	I	96.8	Very high	96.1	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.056	25%	0.248	C	C	.	.			trans	-65.3	125.1	-176.8	-63	-69.4	0	0	0	110.4	S298 V301 F414 L415 Y418 P419 I451	S298-I421 WeakPolarHBondContact O-CD1 3.25Å; V301-I421 HydrophobicContact CB-CD1 4.27Å; V301-I421 HydrophobicContact CB-CG2 4.32Å; V301-I421 HydrophobicContact CG1-CG2 3.91Å; F414-I421 HydrophobicContact CE1-CB 4.47Å; F414-I421 HydrophobicContact CE1-CG1 4.13Å; F414-I421 HydrophobicContact CE1-CG2 4.21Å; F414-I421 HydrophobicContact CZ-CD1 4.4Å; F414-I421 HydrophobicContact CZ-CG1 3.94Å; L415-I421 HydrophobicContact CD2-CB 4.1Å; L415-I421 HydrophobicContact CD2-CG2 4.08Å; Y418-I421 PolarHBondContact O-N 3.02Å; P419-I421 VanDerWaalsContact C-N 3.3Å; I421-I451 HydrophobicContact CG2-CD1 3.59Å
422	R	97.1	Very high	96	Very high	140 Å²	140	47.8 Å²	47.8	53%	0.528	25%	0.251	S	S	.	.			trans	-109.7	-35.6	-179.8	-56.7	-52.6	-170.5	-176.7	-1.1	112.8	Y295 E299 E420 L452	Y295-R422 HydrophobicContact CD1-CB 3.91Å; Y295-R422 HydrophobicContact CD1-CG 4.31Å; Y295-R422 HydrophobicContact CE1-CB 3.9Å; Y295-R422 HydrophobicContact CE1-CG 4.44Å; E299-R422 HydrophobicContact CB-CB 4.34Å; E299-R422 HydrophobicContact CB-CG 4.01Å; E299-R422 HydrophobicContact CG-CG 4.09Å; E299-R422 PolarHBondContact O-N 2.94Å; E420-R422 WeakPolarHBondContact O-CG 3.15Å; E420-R422 PolarHBondContact O-N 2.8Å; R422-L452 VanDerWaalsContact O-CB 3.28Å; R422-L452 WeakPolarHBondContact O-CB 3.33Å; R422-L452 PolarHBondContact O-N 3.4Å; R422-L452 VanDerWaalsContact O-N 3.1Å
423	G	97.9	Very high	95.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141	-172.4	0	0	0	0	0	113.7	E299 L300 V301 L452	E299-G423 PolarHBondContact O-N 2.93Å; E299-G423 VanDerWaalsContact O-N 3.14Å; L300-G423 CarbonylContact C-O 3.49Å; L300-G423 WeakPolarHBondContact CA-O 3.37Å; V301-G423 PolarHBondContact N-O 2.98Å; G423-L452 CarbonylContact C-O 3.52Å; G423-L452 VanDerWaalsContact CA-O 3.3Å; G423-L452 WeakPolarHBondContact CA-O 3.18Å
424	A	98.1	Very high	95.2	Very high	2 Å²	2	47 Å²	47	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.8	176.2	0	0	0	0	0	110.8	V301 I451 L452 I454	V301-A424 HydrophobicContact CG1-CB 3.62Å; V301-A424 CarbonylContact O-C 3.52Å; V301-A424 WeakPolarHBondContact O-CA 3.28Å; A424-I451 HydrophobicContact CB-CD1 3.51Å; A424-I451 HydrophobicContact CB-CG1 4.03Å; A424-L452 PolarHBondContact N-O 2.77Å; A424-I454 PolarHBondContact O-N 2.94Å
425	F	98.6	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129	167.1	-71.1	-73.7	0	0	0	110.3	I288 A291 L300 V301 I302 C303 L313 I317 I454 P456	I288-F425 HydrophobicContact CB-CE1 4.5Å; I288-F425 HydrophobicContact CG1-CE1 4.11Å; A291-F425 HydrophobicContact CB-CE1 3.96Å; A291-F425 HydrophobicContact CB-CZ 3.71Å; L300-F425 HydrophobicContact CB-CE2 4.37Å; L300-F425 HydrophobicContact CD1-CE2 3.97Å; L300-F425 HydrophobicContact CD1-CZ 4.4Å; L300-F425 HydrophobicContact CD2-CE2 4.36Å; L300-F425 HydrophobicContact CG-CE2 4.47Å; V301-F425 PolarHBondContact O-N 2.96Å; I302-F425 HydrophobicContact CG1-CD2 4.24Å; C303-F425 WeakPolarHBondContact CB-O 3.35Å; C303-F425 PolarHBondContact N-O 2.94Å; L313-F425 HydrophobicContact CD2-CB 4.1Å; I317-F425 HydrophobicContact CD1-CB 3.71Å; I317-F425 HydrophobicContact CD1-CD1 3.9Å; I317-F425 HydrophobicContact CD1-CD2 3.72Å; I317-F425 HydrophobicContact CD1-CE1 4.42Å; I317-F425 HydrophobicContact CD1-CE2 4.24Å; I317-F425 HydrophobicContact CD1-CG 3.51Å; I317-F425 HydrophobicContact CG1-CD1 4.44Å; I317-F425 HydrophobicContact CG1-CG 4.44Å; F425-I454 CarbonylContact C-O 3.58Å; F425-I454 WeakPolarHBondContact CA-O 3.4Å; F425-I454 HydrophobicContact CD1-CB 3.87Å; F425-I454 HydrophobicContact CD1-CD1 4.45Å; F425-I454 HydrophobicContact CD1-CG2 3.58Å; F425-I454 HydrophobicContact CE1-CB 4.17Å; F425-I454 HydrophobicContact CE1-CD1 4.27Å; F425-I454 HydrophobicContact CE1-CG2 3.53Å; F425-I454 HydrophobicContact CZ-CD1 4.39Å; F425-P456 HydrophobicContact CD1-CG 4.03Å; F425-P456 HydrophobicContact CE1-CG 4.34Å
426	M	97.6	Very high	94.7	Very high	51 Å²	51	54 Å²	54	25%	0.251	31%	0.308	S	S	.	.			trans	-130.4	135.4	-177.5	-65.9	-170.2	64.2	0	0	111.3	C303 L313 T428 R453 I454 N455	C303-M426 HydrophobicContact CB-CG 4.44Å; L313-M426 WeakPolarHBondContact CD2-O 3.45Å; M426-T428 PolarHBondContact O-N 3Å; M426-R453 HydrophobicContact SD-CB 3.91Å; M426-R453 HydrophobicContact SD-CG 3.64Å; M426-R453 PolarHBondContact SD-NE 3.45Å; M426-I454 PolarHBondContact N-O 3.49Å; M426-N455 WeakPolarHBondContact CB-OD1 3.34Å
427	G	96.4	Very high	94.3	Very high	16 Å²	16	58.8 Å²	58.8	17%	0.165	31%	0.312	C	S	.	.			trans	-77.1	34.6	177.2	0	0	0	0	0	114.3	D309	D309-G427 WeakPolarHBondContact CB-O 3.36Å
428	T	97	Very high	94.3	Very high	15 Å²	15	55.4 Å²	55.4	9%	0.092	29%	0.294	C	S	.	.			trans	-79	137.3	-175.7	-38.1	0	0	0	0	111.4	M426 D432 A435 M438 N455 L457 L458	M426-T428 PolarHBondContact O-N 3Å; T428-D432 WeakPolarHBondContact CA-OD2 3.29Å; T428-D432 HydrophobicContact CG2-CB 4.1Å; T428-A435 HydrophobicContact CG2-CB 3.73Å; T428-M438 HydrophobicContact CG2-CE 3.44Å; T428-M438 VanDerWaalsContact CG2-CE 3.44Å; T428-N455 VanDerWaalsContact CB-OD1 3.28Å; T428-N455 WeakPolarHBondContact CB-OD1 3.23Å; T428-N455 PolarHBondContact OG1-OD1 3.38Å; T428-L457 CarbonylContact O-C 3.38Å; T428-L458 PolarHBondContact O-N 3.07Å
429	R	96.9	Very high	94.4	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	32%	0.315	C	S	.	.			trans	-115.6	159.2	174.5	-58.9	-170.8	-69.3	111.9	5.1	111.3	D309 T431 D432 A435 L457 W460 E522	D309-R429 WeakPolarHBondContact OD1-CD 3.4Å; D309-R429 IonicContact OD1-CZ 2.63Å; D309-R429 IonicContact OD1-NE 3.97Å; D309-R429 PolarHBondContact OD1-NE 2.97Å; D309-R429 IonicContact OD1-NH2 3.79Å; R429-T431 PolarHBondContact NH1-OG1 3.48Å; R429-T431 PolarHBondContact O-N 3.21Å; R429-T431 VanDerWaalsContact O-N 3.16Å; R429-D432 PolarHBondContact N-OD2 3.05Å; R429-D432 VanDerWaalsContact O-CB 3.31Å; R429-D432 WeakPolarHBondContact O-CB 3.42Å; R429-D432 PolarHBondContact O-N 3.19Å; R429-A435 WeakPolarHBondContact O-CB 3.36Å; R429-L457 HydrophobicContact CG-CB 4.21Å; R429-L457 WeakPolarHBondContact CG-O 3.41Å; R429-W460 WeakPolarHBondContact CD-O 3.26Å; R429-W460 HydrophobicContact CG-CB 4.38Å; R429-E522 IonicContact CZ-OE2 3.89Å; R429-E522 IonicContact NH1-OE2 3.6Å; R429-E522 IonicContact NH2-OE1 2.73Å; R429-E522 PolarHBondContact NH2-OE1 3.27Å; R429-E522 IonicContact NH2-OE2 3.55Å; R429-E522 PolarHBondContact NH2-OE2 3.44Å
430	Y	96.6	Very high	94.5	Very high	79 Å²	79	56.2 Å²	56.2	31%	0.31	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.4	178.5	-78.5	-42.5	0	0	0	113.9	D432 A435 M438 L458 E459	Y430-D432 VanDerWaalsContact C-N 3.29Å; Y430-A435 WeakPolarHBondContact CD1-O 3.4Å; Y430-M438 HydrophobicContact CE1-CB 4.44Å; Y430-M438 VanDerWaalsContact CE1-O 3.27Å; Y430-M438 WeakPolarHBondContact CE1-O 3.36Å; Y430-M438 PolarHBondContact OH-O 3.41Å; Y430-L458 WeakPolarHBondContact CB-O 3.03Å; Y430-L458 HydrophobicContact CD1-CB 4.27Å; Y430-L458 HydrophobicContact CD1-CD2 4.14Å; Y430-L458 HydrophobicContact CD2-CB 4.27Å; Y430-L458 WeakPolarHBondContact CD2-O 3.28Å; Y430-L458 HydrophobicContact CE1-CB 3.94Å; Y430-L458 HydrophobicContact CE1-CD1 4.1Å; Y430-L458 HydrophobicContact CE1-CD2 4.03Å; Y430-L458 HydrophobicContact CE1-CG 4.25Å; Y430-L458 HydrophobicContact CE2-CB 3.96Å; Y430-L458 HydrophobicContact CG-CB 4.41Å; Y430-L458 PolarHBondContact N-O 3.41Å; Y430-E459 HydrophobicContact CD2-CG 4.29Å; Y430-E459 HydrophobicContact CE2-CG 3.72Å
431	T	92.6	Very high	94.6	Very high	89 Å²	89	54.7 Å²	54.7	55%	0.546	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.6	175.6	53.7	0	0	0	0	113.1	R429	R429-T431 PolarHBondContact NH1-OG1 3.48Å; R429-T431 PolarHBondContact O-N 3.21Å; R429-T431 VanDerWaalsContact O-N 3.16Å
432	D	92.4	Very high	94.6	Very high	29 Å²	29	56.5 Å²	56.5	16%	0.155	30%	0.302	C	S	.	.	S	Bend	trans	-75.5	151	175.3	-70.4	-38	0	0	0	111.9	T428 R429 Y430 G434 A435 R523	T428-D432 WeakPolarHBondContact CA-OD2 3.29Å; T428-D432 HydrophobicContact CG2-CB 4.1Å; R429-D432 PolarHBondContact N-OD2 3.05Å; R429-D432 VanDerWaalsContact O-CB 3.31Å; R429-D432 WeakPolarHBondContact O-CB 3.42Å; R429-D432 PolarHBondContact O-N 3.19Å; Y430-D432 VanDerWaalsContact C-N 3.29Å; D432-G434 PolarHBondContact O-N 3.19Å; D432-A435 HydrophobicContact CB-CB 4.16Å; D432-A435 WeakPolarHBondContact O-CB 3.3Å; D432-A435 PolarHBondContact O-N 3.07Å; D432-A435 VanDerWaalsContact O-N 3.14Å; D432-R523 IonicContact OD1-NH1 3.77Å
433	P	88	Confident	94.6	Very high	95 Å²	95	54 Å²	54	62%	0.617	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	128	177.3	-26.1	34.9	0	0	0	112.6	A435	P433-A435 PolarHBondContact O-N 3.14Å
434	G	87.8	Confident	94.5	Very high	87 Å²	87	54.5 Å²	54.5	90%	0.897	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	0.8	177.5	0	0	0	0	0	115.6	D432	D432-G434 PolarHBondContact O-N 3.19Å
435	A	91.5	Very high	94.2	Very high	2 Å²	2	58.9 Å²	58.9	2%	0.017	32%	0.324	C	S	.	.			trans	-91.6	-6.5	-176.8	0	0	0	0	0	114.3	T428 R429 Y430 D432 P433 K437 M438	T428-A435 HydrophobicContact CG2-CB 3.73Å; R429-A435 WeakPolarHBondContact O-CB 3.36Å; Y430-A435 WeakPolarHBondContact CD1-O 3.4Å; D432-A435 HydrophobicContact CB-CB 4.16Å; D432-A435 WeakPolarHBondContact O-CB 3.3Å; D432-A435 PolarHBondContact O-N 3.07Å; D432-A435 VanDerWaalsContact O-N 3.14Å; P433-A435 PolarHBondContact O-N 3.14Å; A435-K437 PolarHBondContact O-N 3.2Å; A435-M438 HydrophobicContact CB-CE 3.49Å; A435-M438 VanDerWaalsContact CB-CE 3.49Å; A435-M438 WeakPolarHBondContact O-CB 3.2Å; A435-M438 PolarHBondContact O-N 3.07Å
436	Y	89.5	Confident	94	Very high	178 Å²	178	64.9 Å²	64.9	70%	0.698	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	124	-175.2	-177.6	-111.5	0	0	0	111.9	M438	Y436-M438 PolarHBondContact O-N 3.42Å
437	K	88	Confident	93.8	Very high	156 Å²	156	65.1 Å²	65.1	68%	0.678	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	19.7	-177.1	-62.2	-179.6	173	-177.7	0	115.8	A435	A435-K437 PolarHBondContact O-N 3.2Å
438	M	93	Very high	93.8	Very high	24 Å²	24	69.5 Å²	69.5	12%	0.118	39%	0.39	C	S	.	.			trans	-59.8	145.7	170.8	179	155.8	53	0	0	112.2	T428 Y430 A435 Y436 V442 L458	T428-M438 HydrophobicContact CG2-CE 3.44Å; T428-M438 VanDerWaalsContact CG2-CE 3.44Å; Y430-M438 HydrophobicContact CE1-CB 4.44Å; Y430-M438 VanDerWaalsContact CE1-O 3.27Å; Y430-M438 WeakPolarHBondContact CE1-O 3.36Å; Y430-M438 PolarHBondContact OH-O 3.41Å; A435-M438 HydrophobicContact CB-CE 3.49Å; A435-M438 VanDerWaalsContact CB-CE 3.49Å; A435-M438 WeakPolarHBondContact O-CB 3.2Å; A435-M438 PolarHBondContact O-N 3.07Å; Y436-M438 PolarHBondContact O-N 3.42Å; M438-V442 HydrophobicContact CG-CG1 3.92Å; M438-V442 HydrophobicContact SD-CG1 3.94Å; M438-L458 HydrophobicContact CB-CD2 4.09Å; M438-L458 HydrophobicContact CE-CD2 3.46Å; M438-L458 VanDerWaalsContact CE-CD2 3.46Å; M438-L458 HydrophobicContact CG-CD1 4.43Å; M438-L458 HydrophobicContact CG-CD2 4.19Å; M438-L458 WeakPolarHBondContact O-CD1 3.32Å
439	S	96.2	Very high	93.7	Very high	77 Å²	77	69.7 Å²	69.7	54%	0.538	39%	0.392	S	S	.	.			trans	-79.1	151.8	170.2	-62.5	0	0	0	0	111.2	M441	S439-M441 VanDerWaalsContact C-N 3.26Å; S439-M441 PolarHBondContact O-N 2.76Å
440	Y	97.3	Very high	93.7	Very high	55 Å²	55	74.7 Å²	74.7	22%	0.216	42%	0.416	C	S	.	.	S	Bend	trans	-54.6	-39.9	178.3	-81.2	-87.4	0	0	0	113.3	C287 I454 N455 L458 E459	C287-Y440 HydrophobicContact CB-CD1 3.87Å; C287-Y440 HydrophobicContact CB-CE1 4.42Å; Y440-I454 CarbonylContact O-C 3.57Å; Y440-I454 WeakPolarHBondContact O-CA 3.18Å; Y440-N455 VanDerWaalsContact CD1-O 3.29Å; Y440-N455 WeakPolarHBondContact CD1-O 3.46Å; Y440-N455 PolarHBondContact O-N 3Å; Y440-L458 HydrophobicContact CD1-CD1 4.28Å; Y440-L458 HydrophobicContact CD2-CD1 4.44Å; Y440-L458 HydrophobicContact CG-CD1 4.17Å; Y440-E459 WeakPolarHBondContact OH-CG 3.49Å; Y440-E459 PolarHBondContact OH-OE1 2.53Å
441	M	97.7	Very high	93.7	Very high	42 Å²	42	71.3 Å²	71.3	21%	0.207	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.6	175.1	-59.3	-171.9	-170.2	0	0	109.4	C287 E290 A291 S439 L452 R453 I454	C287-M441 WeakPolarHBondContact O-CE 3.35Å; E290-M441 HydrophobicContact CB-CE 3.94Å; E290-M441 HydrophobicContact CG-CE 3.9Å; A291-M441 HydrophobicContact CB-CE 3.89Å; S439-M441 VanDerWaalsContact C-N 3.26Å; S439-M441 PolarHBondContact O-N 2.76Å; M441-L452 HydrophobicContact CB-CD1 4.22Å; M441-R453 WeakPolarHBondContact CA-O 3.45Å; M441-I454 HydrophobicContact CE-CG2 4.31Å; M441-I454 HydrophobicContact CG-CG1 4.33Å; M441-I454 HydrophobicContact CG-CG2 4.29Å
442	V	96.8	Very high	94	Very high	49 Å²	49	68 Å²	68	30%	0.297	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.3	-177	65	0	0	0	0	110.5	M438 R453	M438-V442 HydrophobicContact CG-CG1 3.92Å; M438-V442 HydrophobicContact SD-CG1 3.94Å; V442-R453 HydrophobicContact CG1-CB 4.37Å; V442-R453 PolarHBondContact N-O 3.44Å; V442-R453 WeakPolarHBondContact O-CA 3.34Å; V442-R453 WeakPolarHBondContact O-CB 3.34Å; V442-R453 PolarHBondContact O-N 2.88Å
443	M	97.3	Very high	94.3	Very high	87 Å²	87	68.7 Å²	68.7	43%	0.429	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	151.2	173.6	-74.1	-58.6	-61	0	0	111.1	Q450 L452	M443-Q450 HydrophobicContact CE-CB 3.93Å; M443-L452 HydrophobicContact SD-CB 3.95Å; M443-L452 HydrophobicContact SD-CD1 4.15Å
444	S	94.7	Very high	94.8	Very high	11 Å²	11	64.2 Å²	64.2	8%	0.077	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-59.5	147.2	172.8	-62.4	0	0	0	0	111.9	P449 Q450 I451	S444-P449 WeakPolarHBondContact CB-O 3.35Å; S444-Q450 PolarHBondContact O-NE2 2.52Å; S444-Q450 VanDerWaalsContact O-NE2 3.08Å; S444-Q450 PolarHBondContact O-OE1 2.93Å; S444-I451 PolarHBondContact N-O 3.45Å; S444-I451 VanDerWaalsContact OG-CG2 3.28Å; S444-I451 WeakPolarHBondContact OG-CG2 3.36Å; S444-I451 PolarHBondContact OG-O 3.41Å
445	D	92.6	Very high	95.3	Very high	94 Å²	94	60 Å²	60	50%	0.503	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-59	153.7	-174.8	-62.6	-42.2	0	0	0	112.6	G447 W448 Q450	D445-G447 PolarHBondContact O-N 3.09Å; D445-W448 WeakPolarHBondContact O-CB 3.36Å; D445-W448 PolarHBondContact O-N 3.49Å; D445-Q450 PolarHBondContact O-NE2 3.26Å
446	P	93.9	Very high	95.6	Very high	126 Å²	126	60 Å²	60	82%	0.818	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	134.2	173.9	-27.1	35.3	0	0	0	112.3	W448	P446-W448 VanDerWaalsContact C-N 3.32Å
447	G	93.3	Very high	96	Very high	56 Å²	56	51.5 Å²	51.5	58%	0.577	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-2.9	-177.6	0	0	0	0	0	114.9	K408 D445	K408-G447 WeakPolarHBondContact CE-O 3.5Å; K408-G447 PolarHBondContact NZ-O 2.92Å; D445-G447 PolarHBondContact O-N 3.09Å
448	W	95.7	Very high	96.5	Very high	107 Å²	107	44 Å²	44	41%	0.405	24%	0.244	S	C	.	.	S	Bend	trans	-95.2	154	163.5	-74.8	77.8	0	0	0	111.3	I407 K408 D445 P446 Q450	I407-W448 HydrophobicContact CB-CZ3 4.32Å; I407-W448 HydrophobicContact CG2-CH2 4.43Å; I407-W448 HydrophobicContact CG2-CZ3 3.92Å; K408-W448 HydrophobicContact CB-CE3 4.04Å; K408-W448 HydrophobicContact CB-CH2 4.2Å; K408-W448 HydrophobicContact CB-CZ3 3.77Å; K408-W448 HydrophobicContact CG-CE3 4.22Å; K408-W448 HydrophobicContact CG-CZ3 4.45Å; D445-W448 WeakPolarHBondContact O-CB 3.36Å; D445-W448 PolarHBondContact O-N 3.49Å; P446-W448 VanDerWaalsContact C-N 3.32Å; W448-Q450 PolarHBondContact O-N 3.39Å; W448-Q450 PolarHBondContact O-NE2 3.37Å
449	P	95.9	Very high	96.7	Very high	20 Å²	20	44.5 Å²	44.5	13%	0.13	25%	0.245	C	C	.	.			trans	-50.6	130.1	167.1	-25	33.8	0	0	0	110.5	L411 E412 L415 S444 I451	L411-P449 HydrophobicContact CB-CG 4.27Å; L411-P449 HydrophobicContact CD2-CB 3.97Å; L411-P449 HydrophobicContact CD2-CG 4.21Å; L411-P449 HydrophobicContact CG-CB 3.92Å; L411-P449 HydrophobicContact CG-CG 4.17Å; E412-P449 HydrophobicContact CB-CG 3.79Å; E412-P449 HydrophobicContact CG-CG 4.5Å; L415-P449 HydrophobicContact CD1-CB 3.76Å; S444-P449 WeakPolarHBondContact CB-O 3.35Å; P449-I451 PolarHBondContact O-N 3.1Å
450	Q	97.1	Very high	96.8	Very high	106 Å²	106	41 Å²	41	50%	0.495	22%	0.221	S	C	.	.			trans	-84	111.6	-167.5	-69.8	-63.1	-65.5	0	0	111.2	M443 S444 D445 W448	M443-Q450 HydrophobicContact CE-CB 3.93Å; S444-Q450 PolarHBondContact O-NE2 2.52Å; S444-Q450 VanDerWaalsContact O-NE2 3.08Å; S444-Q450 PolarHBondContact O-OE1 2.93Å; D445-Q450 PolarHBondContact O-NE2 3.26Å; W448-Q450 PolarHBondContact O-N 3.39Å; W448-Q450 PolarHBondContact O-NE2 3.37Å
451	I	97.4	Very high	96.8	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.036	22%	0.223	C	C	.	.			trans	-144.1	147	174.9	-175.6	162.6	0	0	0	110.1	V301 L411 L415 I421 A424 S444 P449 R453	V301-I451 HydrophobicContact CG1-CD1 4.18Å; L411-I451 HydrophobicContact CD2-CG2 4.22Å; L415-I451 HydrophobicContact CD1-CB 4.31Å; L415-I451 HydrophobicContact CD2-CD1 4.04Å; I421-I451 HydrophobicContact CG2-CD1 3.59Å; A424-I451 HydrophobicContact CB-CD1 3.51Å; A424-I451 HydrophobicContact CB-CG1 4.03Å; S444-I451 PolarHBondContact N-O 3.45Å; S444-I451 VanDerWaalsContact OG-CG2 3.28Å; S444-I451 WeakPolarHBondContact OG-CG2 3.36Å; S444-I451 PolarHBondContact OG-O 3.41Å; P449-I451 PolarHBondContact O-N 3.1Å; I451-R453 PolarHBondContact O-N 3.47Å
452	L	98.3	Very high	96.8	Very high	21 Å²	21	38.6 Å²	38.6	11%	0.11	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	113.7	172.8	-176.7	71.5	0	0	0	109.5	Y295 R422 G423 A424 M441 M443 I454	Y295-L452 HydrophobicContact CE2-CD2 3.92Å; Y295-L452 WeakPolarHBondContact OH-CD2 3.35Å; R422-L452 VanDerWaalsContact O-CB 3.28Å; R422-L452 WeakPolarHBondContact O-CB 3.33Å; R422-L452 PolarHBondContact O-N 3.4Å; R422-L452 VanDerWaalsContact O-N 3.1Å; G423-L452 CarbonylContact C-O 3.52Å; G423-L452 VanDerWaalsContact CA-O 3.3Å; G423-L452 WeakPolarHBondContact CA-O 3.18Å; A424-L452 PolarHBondContact N-O 2.77Å; M441-L452 HydrophobicContact CB-CD1 4.22Å; M443-L452 HydrophobicContact SD-CB 3.95Å; M443-L452 HydrophobicContact SD-CD1 4.15Å; L452-I454 HydrophobicContact CD2-CG1 4.26Å; L452-I454 HydrophobicContact CG-CG1 4.32Å
453	R	97.8	Very high	96.8	Very high	43 Å²	43	38.5 Å²	38.5	16%	0.162	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	119.2	173.7	-60.4	172.8	52.9	-165.4	-5.6	109.1	M426 M441 V442 I451 N455	M426-R453 HydrophobicContact SD-CB 3.91Å; M426-R453 HydrophobicContact SD-CG 3.64Å; M426-R453 PolarHBondContact SD-NE 3.45Å; M441-R453 WeakPolarHBondContact CA-O 3.45Å; V442-R453 HydrophobicContact CG1-CB 4.37Å; V442-R453 PolarHBondContact N-O 3.44Å; V442-R453 WeakPolarHBondContact O-CA 3.34Å; V442-R453 WeakPolarHBondContact O-CB 3.34Å; V442-R453 PolarHBondContact O-N 2.88Å; I451-R453 PolarHBondContact O-N 3.47Å; R453-N455 PolarHBondContact O-ND2 3.01Å
454	I	98.6	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.3	177	-55.2	158.3	0	0	0	106.7	A291 L300 A424 F425 M426 Y440 M441 L452 P456	A291-I454 HydrophobicContact CB-CD1 3.83Å; A291-I454 HydrophobicContact CB-CG2 4.25Å; L300-I454 HydrophobicContact CD2-CD1 3.8Å; A424-I454 PolarHBondContact O-N 2.94Å; F425-I454 CarbonylContact C-O 3.58Å; F425-I454 WeakPolarHBondContact CA-O 3.4Å; F425-I454 HydrophobicContact CD1-CB 3.87Å; F425-I454 HydrophobicContact CD1-CD1 4.45Å; F425-I454 HydrophobicContact CD1-CG2 3.58Å; F425-I454 HydrophobicContact CE1-CB 4.17Å; F425-I454 HydrophobicContact CE1-CD1 4.27Å; F425-I454 HydrophobicContact CE1-CG2 3.53Å; F425-I454 HydrophobicContact CZ-CD1 4.39Å; M426-I454 PolarHBondContact N-O 3.49Å; Y440-I454 CarbonylContact O-C 3.57Å; Y440-I454 WeakPolarHBondContact O-CA 3.18Å; M441-I454 HydrophobicContact CE-CG2 4.31Å; M441-I454 HydrophobicContact CG-CG1 4.33Å; M441-I454 HydrophobicContact CG-CG2 4.29Å; L452-I454 HydrophobicContact CD2-CG1 4.26Å; L452-I454 HydrophobicContact CG-CG1 4.32Å; I454-P456 HydrophobicContact CG2-CG 4.27Å; I454-P456 WeakPolarHBondContact O-CD 3.3Å
455	N	98.3	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.			trans	-121.2	78.1	-170.6	-53.9	-87.7	0	0	0	110.8	M426 T428 Y440 R453 L457 L458	M426-N455 WeakPolarHBondContact CB-OD1 3.34Å; T428-N455 VanDerWaalsContact CB-OD1 3.28Å; T428-N455 WeakPolarHBondContact CB-OD1 3.23Å; T428-N455 PolarHBondContact OG1-OD1 3.38Å; Y440-N455 VanDerWaalsContact CD1-O 3.29Å; Y440-N455 WeakPolarHBondContact CD1-O 3.46Å; Y440-N455 PolarHBondContact O-N 3Å; R453-N455 PolarHBondContact O-ND2 3.01Å; N455-L457 PolarHBondContact O-N 3.19Å; N455-L458 HydrophobicContact CB-CD1 4.1Å; N455-L458 HydrophobicContact CB-CD2 3.85Å; N455-L458 HydrophobicContact CB-CG 3.68Å; N455-L458 WeakPolarHBondContact O-CG 3.48Å
456	P	98.5	Very high	97.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-18	-176.5	-24.2	37.3	0	0	0	114.3	S284 C287 I288 L313 F425 I454	S284-P456 WeakPolarHBondContact CB-O 3.39Å; S284-P456 PolarHBondContact OG-O 3.09Å; C287-P456 HydrophobicContact CB-CB 4.36Å; I288-P456 HydrophobicContact CD1-CB 4.02Å; I288-P456 HydrophobicContact CD1-CG 4.12Å; I288-P456 HydrophobicContact CG1-CB 3.83Å; I288-P456 HydrophobicContact CG1-CG 3.53Å; L313-P456 HydrophobicContact CD1-CB 4.05Å; L313-P456 HydrophobicContact CD1-CG 3.64Å; F425-P456 HydrophobicContact CD1-CG 4.03Å; F425-P456 HydrophobicContact CE1-CG 4.34Å; I454-P456 HydrophobicContact CG2-CG 4.27Å; I454-P456 WeakPolarHBondContact O-CD 3.3Å
457	L	98.4	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	5.2	-173.8	-57.2	-170.1	0	0	0	114.3	D309 A312 L313 L316 T428 R429 N455 E459 W460	D309-L457 HydrophobicContact CB-CD1 4.49Å; D309-L457 WeakPolarHBondContact O-CD1 3.42Å; A312-L457 HydrophobicContact CB-CD1 4.5Å; L313-L457 HydrophobicContact CB-CD1 3.99Å; L313-L457 HydrophobicContact CB-CG 4.38Å; L316-L457 HydrophobicContact CD1-CD2 3.64Å; T428-L457 CarbonylContact O-C 3.38Å; R429-L457 HydrophobicContact CG-CB 4.21Å; R429-L457 WeakPolarHBondContact CG-O 3.41Å; N455-L457 PolarHBondContact O-N 3.19Å; L457-E459 PolarHBondContact O-N 2.69Å; L457-W460 HydrophobicContact CB-CG 4.28Å; L457-W460 HydrophobicContact CD2-CD2 3.87Å; L457-W460 HydrophobicContact CD2-CE3 4.38Å; L457-W460 HydrophobicContact CD2-CG 4.2Å; L457-W460 HydrophobicContact CD2-CH2 4.37Å; L457-W460 HydrophobicContact CD2-CZ2 3.9Å; L457-W460 WeakPolarHBondContact O-CB 3.37Å; L457-W460 PolarHBondContact O-N 3.46Å
458	L	98.2	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-42.1	-172.4	-76	174.5	0	0	0	113.9	T428 Y430 M438 Y440 N455 W460	T428-L458 PolarHBondContact O-N 3.07Å; Y430-L458 WeakPolarHBondContact CB-O 3.03Å; Y430-L458 HydrophobicContact CD1-CB 4.27Å; Y430-L458 HydrophobicContact CD1-CD2 4.14Å; Y430-L458 HydrophobicContact CD2-CB 4.27Å; Y430-L458 WeakPolarHBondContact CD2-O 3.28Å; Y430-L458 HydrophobicContact CE1-CB 3.94Å; Y430-L458 HydrophobicContact CE1-CD1 4.1Å; Y430-L458 HydrophobicContact CE1-CD2 4.03Å; Y430-L458 HydrophobicContact CE1-CG 4.25Å; Y430-L458 HydrophobicContact CE2-CB 3.96Å; Y430-L458 HydrophobicContact CG-CB 4.41Å; Y430-L458 PolarHBondContact N-O 3.41Å; M438-L458 HydrophobicContact CB-CD2 4.09Å; M438-L458 HydrophobicContact CE-CD2 3.46Å; M438-L458 VanDerWaalsContact CE-CD2 3.46Å; M438-L458 HydrophobicContact CG-CD1 4.43Å; M438-L458 HydrophobicContact CG-CD2 4.19Å; M438-L458 WeakPolarHBondContact O-CD1 3.32Å; Y440-L458 HydrophobicContact CD1-CD1 4.28Å; Y440-L458 HydrophobicContact CD2-CD1 4.44Å; Y440-L458 HydrophobicContact CG-CD1 4.17Å; N455-L458 HydrophobicContact CB-CD1 4.1Å; N455-L458 HydrophobicContact CB-CD2 3.85Å; N455-L458 HydrophobicContact CB-CG 3.68Å; N455-L458 WeakPolarHBondContact O-CG 3.48Å; L458-W460 VanDerWaalsContact C-N 3.34Å; L458-W460 PolarHBondContact O-N 3.44Å
459	E	97	Very high	97.7	Very high	33 Å²	33	20.8 Å²	20.8	15%	0.154	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.5	-175.5	-82.2	-172.2	-133.4	0	0	115	R280 K283 Y430 Y440 L457	R280-E459 IonicContact CZ-OE2 2.62Å; R280-E459 PolarHBondContact NE-O 3.38Å; R280-E459 IonicContact NH1-OE2 2.67Å; R280-E459 PolarHBondContact NH1-OE2 3.06Å; R280-E459 PolarHBondContact NH2-O 3.04Å; R280-E459 VanDerWaalsContact NH2-O 3.13Å; K283-E459 WeakPolarHBondContact CD-OE1 3.5Å; K283-E459 WeakPolarHBondContact CD-OE2 3.44Å; K283-E459 IonicContact NZ-OE1 3.9Å; K283-E459 PolarHBondContact NZ-OE1 3.07Å; K283-E459 IonicContact NZ-OE2 2.81Å; K283-E459 PolarHBondContact NZ-OE2 3.43Å; Y430-E459 HydrophobicContact CD2-CG 4.29Å; Y430-E459 HydrophobicContact CE2-CG 3.72Å; Y440-E459 WeakPolarHBondContact OH-CG 3.49Å; Y440-E459 PolarHBondContact OH-OE1 2.53Å; L457-E459 PolarHBondContact O-N 2.69Å
460	W	97.9	Very high	97.7	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.015	12%	0.115	C	C	.	.			trans	-77.1	139.9	-174.9	-71.1	48.4	0	0	0	112.1	L277 V281 S284 A312 L316 R429 L457 L458 D464 V465 F468	L277-W460 HydrophobicContact CD1-CH2 4.34Å; L277-W460 HydrophobicContact CD1-CZ3 4.29Å; V281-W460 HydrophobicContact CG2-CH2 4.08Å; V281-W460 HydrophobicContact CG2-CZ2 3.84Å; S284-W460 PolarHBondContact OG-NE1 3.07Å; A312-W460 HydrophobicContact CB-CZ3 4.35Å; L316-W460 HydrophobicContact CD1-CH2 4Å; L316-W460 HydrophobicContact CD1-CZ2 3.76Å; R429-W460 WeakPolarHBondContact CD-O 3.26Å; R429-W460 HydrophobicContact CG-CB 4.38Å; L457-W460 HydrophobicContact CB-CG 4.28Å; L457-W460 HydrophobicContact CD2-CD2 3.87Å; L457-W460 HydrophobicContact CD2-CE3 4.38Å; L457-W460 HydrophobicContact CD2-CG 4.2Å; L457-W460 HydrophobicContact CD2-CH2 4.37Å; L457-W460 HydrophobicContact CD2-CZ2 3.9Å; L457-W460 WeakPolarHBondContact O-CB 3.37Å; L457-W460 PolarHBondContact O-N 3.46Å; L458-W460 VanDerWaalsContact C-N 3.34Å; L458-W460 PolarHBondContact O-N 3.44Å; W460-D464 HydrophobicContact CB-CB 4.25Å; W460-D464 HydrophobicContact CD2-CB 4.3Å; W460-D464 HydrophobicContact CE3-CB 3.95Å; W460-D464 HydrophobicContact CG-CB 4.47Å; W460-V465 HydrophobicContact CB-CG2 4.39Å; W460-V465 HydrophobicContact CE3-CG2 3.88Å; W460-F468 HydrophobicContact CH2-CB 3.88Å; W460-F468 HydrophobicContact CH2-CD1 4.15Å; W460-F468 AromaticContact CH2-CD2 3.46Å; W460-F468 HydrophobicContact CH2-CD2 3.46Å; W460-F468 VanDerWaalsContact CH2-CD2 3.46Å; W460-F468 AromaticContact CH2-CE2 3.95Å; W460-F468 HydrophobicContact CH2-CE2 3.95Å; W460-F468 AromaticContact CH2-CG 3.57Å; W460-F468 HydrophobicContact CH2-CG 3.57Å; W460-F468 HydrophobicContact CH2-CZ 4.49Å; W460-F468 HydrophobicContact CZ3-CB 3.52Å; W460-F468 HydrophobicContact CZ3-CD1 4.23Å; W460-F468 HydrophobicContact CZ3-CD2 4.05Å; W460-F468 AromaticContact CZ3-CG 3.69Å; W460-F468 HydrophobicContact CZ3-CG 3.69Å
461	T	96.6	Very high	97.6	Very high	45 Å²	45	22.1 Å²	22.1	28%	0.276	12%	0.12	S	C	.	.			trans	-87.5	173.5	171	63.2	0	0	0	0	111.4	S463 D464 V465 E519	T461-S463 VanDerWaalsContact C-N 3.34Å; T461-D464 WeakPolarHBondContact CB-OD2 3.37Å; T461-D464 PolarHBondContact N-OD2 2.78Å; T461-D464 PolarHBondContact O-N 3.27Å; T461-D464 WeakPolarHBondContact OG1-CB 3.47Å; T461-D464 PolarHBondContact OG1-N 3.38Å; T461-D464 VanDerWaalsContact OG1-N 3.1Å; T461-D464 PolarHBondContact OG1-OD2 3.45Å; T461-V465 PolarHBondContact O-N 3.42Å; T461-E519 WeakPolarHBondContact CB-OE2 3.35Å
462	Y	97.7	Very high	97.5	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-63.7	-43.5	175.6	-179.8	-98.3	0	0	0	110.9	K308 D464 V465 W466 T485 A513 L516 E519 E522	K308-Y462 HydrophobicContact CD-CE2 4.35Å; K308-Y462 VanDerWaalsContact CE-CE2 3.48Å; Y462-D464 PolarHBondContact O-N 3.01Å; Y462-V465 PolarHBondContact O-N 2.93Å; Y462-W466 AromaticContact CD1-CD1 3.73Å; Y462-W466 AromaticContact CE1-CD1 3.32Å; Y462-W466 AromaticContact CE1-NE1 3.27Å; Y462-W466 VanDerWaalsContact CE1-NE1 3.27Å; Y462-W466 AromaticContact CE2-NE1 3.56Å; Y462-W466 AromaticContact CZ-CD1 3.58Å; Y462-W466 AromaticContact CZ-NE1 3Å; Y462-W466 PolarHBondContact O-N 2.97Å; Y462-W466 PolarHBondContact OH-NE1 2.74Å; Y462-T485 WeakPolarHBondContact OH-CG2 3.39Å; Y462-A513 PolarHBondContact OH-O 3.44Å; Y462-L516 HydrophobicContact CE1-CB 3.82Å; Y462-L516 HydrophobicContact CE1-CD2 4.04Å; Y462-L516 HydrophobicContact CE1-CG 4.49Å; Y462-E519 WeakPolarHBondContact CB-OE2 3.4Å; Y462-E519 HydrophobicContact CD1-CG 4.24Å; Y462-E519 HydrophobicContact CG-CG 4.4Å; Y462-E519 PolarHBondContact N-OE2 2.97Å; Y462-E522 HydrophobicContact CD2-CB 4.01Å; Y462-E522 HydrophobicContact CD2-CG 3.68Å; Y462-E522 WeakPolarHBondContact CD2-OE2 3.33Å; Y462-E522 HydrophobicContact CE2-CB 4.12Å; Y462-E522 HydrophobicContact CE2-CG 3.61Å
463	S	96.9	Very high	97.4	Very high	47 Å²	47	21.9 Å²	21.9	33%	0.329	12%	0.118	S	C	.	.	H	α-helix	trans	-64.1	-37.7	175.7	-66.4	0	0	0	0	112.6	T461 V465 W466 N467 E519	T461-S463 VanDerWaalsContact C-N 3.34Å; S463-V465 VanDerWaalsContact C-N 3.3Å; S463-V465 PolarHBondContact O-N 2.97Å; S463-W466 PolarHBondContact O-N 2.82Å; S463-N467 VanDerWaalsContact O-CB 3.23Å; S463-N467 WeakPolarHBondContact O-CB 3.48Å; S463-N467 PolarHBondContact O-N 3.2Å; S463-N467 PolarHBondContact O-ND2 2.8Å; S463-N467 VanDerWaalsContact O-ND2 3.14Å; S463-E519 WeakPolarHBondContact CB-OE1 3.47Å; S463-E519 PolarHBondContact N-OE1 2.73Å; S463-E519 PolarHBondContact OG-OE1 2.98Å
464	D	97.9	Very high	97.3	Very high	16 Å²	16	19.9 Å²	19.9	9%	0.086	11%	0.111	C	C	.	.	H	α-helix	trans	-58.6	-43.6	178.5	-70.1	-40.7	0	0	0	111.5	L277 W460 T461 Y462 N467 F468	L277-D464 HydrophobicContact CD1-CB 4.05Å; W460-D464 HydrophobicContact CB-CB 4.25Å; W460-D464 HydrophobicContact CD2-CB 4.3Å; W460-D464 HydrophobicContact CE3-CB 3.95Å; W460-D464 HydrophobicContact CG-CB 4.47Å; T461-D464 WeakPolarHBondContact CB-OD2 3.37Å; T461-D464 PolarHBondContact N-OD2 2.78Å; T461-D464 PolarHBondContact O-N 3.27Å; T461-D464 WeakPolarHBondContact OG1-CB 3.47Å; T461-D464 PolarHBondContact OG1-N 3.38Å; T461-D464 VanDerWaalsContact OG1-N 3.1Å; T461-D464 PolarHBondContact OG1-OD2 3.45Å; Y462-D464 PolarHBondContact O-N 3.01Å; D464-N467 PolarHBondContact O-N 2.82Å; D464-F468 VanDerWaalsContact O-CB 3.28Å; D464-F468 WeakPolarHBondContact O-CB 3.48Å; D464-F468 PolarHBondContact O-N 3.43Å
465	V	98.4	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-47.6	178.6	178.2	0	0	0	0	110.6	K308 A312 W460 T461 Y462 S463 F468 L469	K308-V465 HydrophobicContact CB-CG1 4.04Å; K308-V465 HydrophobicContact CD-CG1 4Å; K308-V465 HydrophobicContact CG-CG1 3.81Å; A312-V465 HydrophobicContact CB-CG1 4.44Å; W460-V465 HydrophobicContact CB-CG2 4.39Å; W460-V465 HydrophobicContact CE3-CG2 3.88Å; T461-V465 PolarHBondContact O-N 3.42Å; Y462-V465 PolarHBondContact O-N 2.93Å; S463-V465 VanDerWaalsContact C-N 3.3Å; S463-V465 PolarHBondContact O-N 2.97Å; V465-F468 PolarHBondContact O-N 3Å; V465-L469 HydrophobicContact CG1-CD1 4.14Å; V465-L469 HydrophobicContact CG1-CG 4.46Å; V465-L469 VanDerWaalsContact O-CG 3.32Å; V465-L469 WeakPolarHBondContact O-CG 3.46Å; V465-L469 PolarHBondContact O-N 2.92Å
466	W	98.1	Very high	97.1	Very high	6 Å²	6	22.9 Å²	22.9	2%	0.023	13%	0.13	C	C	.	.	H	α-helix	trans	-67.4	-43.2	179.5	-77	122.8	0	0	0	113.3	K308 Y462 S463 F468 L469 R470 Y476 Y480 A513	K308-W466 HydrophobicContact CB-CH2 4.23Å; K308-W466 HydrophobicContact CB-CZ2 4.36Å; K308-W466 HydrophobicContact CD-CD2 4.33Å; K308-W466 HydrophobicContact CD-CH2 4.24Å; K308-W466 HydrophobicContact CD-CZ2 3.52Å; Y462-W466 AromaticContact CD1-CD1 3.73Å; Y462-W466 AromaticContact CE1-CD1 3.32Å; Y462-W466 AromaticContact CE1-NE1 3.27Å; Y462-W466 VanDerWaalsContact CE1-NE1 3.27Å; Y462-W466 AromaticContact CE2-NE1 3.56Å; Y462-W466 AromaticContact CZ-CD1 3.58Å; Y462-W466 AromaticContact CZ-NE1 3Å; Y462-W466 PolarHBondContact O-N 2.97Å; Y462-W466 PolarHBondContact OH-NE1 2.74Å; S463-W466 PolarHBondContact O-N 2.82Å; W466-F468 VanDerWaalsContact C-N 3.27Å; W466-F468 PolarHBondContact O-N 3.25Å; W466-L469 HydrophobicContact CE3-CD1 4.15Å; W466-L469 HydrophobicContact CZ3-CD1 4.09Å; W466-L469 PolarHBondContact O-N 2.74Å; W466-R470 WeakPolarHBondContact O-CB 3.48Å; W466-R470 WeakPolarHBondContact O-CG 3.48Å; W466-R470 PolarHBondContact O-N 3.03Å; W466-Y476 HydrophobicContact CH2-CD2 4.12Å; W466-Y476 HydrophobicContact CH2-CE2 4.32Å; W466-Y476 HydrophobicContact CH2-CG 4.31Å; W466-Y476 AromaticContact CZ3-CD1 3.88Å; W466-Y476 HydrophobicContact CZ3-CD1 3.88Å; W466-Y476 HydrophobicContact CZ3-CD2 4.02Å; W466-Y476 AromaticContact CZ3-CE1 3.98Å; W466-Y476 HydrophobicContact CZ3-CE1 3.98Å; W466-Y476 HydrophobicContact CZ3-CE2 4.1Å; W466-Y476 AromaticContact CZ3-CG 3.89Å; W466-Y476 HydrophobicContact CZ3-CG 3.89Å; W466-Y480 AromaticContact CH2-CD1 3.64Å; W466-Y480 HydrophobicContact CH2-CD1 3.64Å; W466-Y480 AromaticContact CH2-CD2 3.94Å; W466-Y480 HydrophobicContact CH2-CD2 3.94Å; W466-Y480 HydrophobicContact CH2-CE1 4.34Å; W466-Y480 AromaticContact CH2-CG 3.46Å; W466-Y480 HydrophobicContact CH2-CG 3.46Å; W466-Y480 VanDerWaalsContact CH2-CG 3.46Å; W466-Y480 AromaticContact CZ2-CD1 3.49Å; W466-Y480 HydrophobicContact CZ2-CD1 3.49Å; W466-Y480 VanDerWaalsContact CZ2-CD1 3.49Å; W466-Y480 HydrophobicContact CZ2-CE1 4.05Å; W466-Y480 AromaticContact CZ2-CG 3.84Å; W466-Y480 HydrophobicContact CZ2-CG 3.84Å; W466-A513 HydrophobicContact CH2-CB 4.3Å; W466-A513 HydrophobicContact CZ2-CB 3.53Å
467	N	97.1	Very high	97.1	Very high	87 Å²	87	23 Å²	23	47%	0.465	13%	0.13	S	C	.	.	H	α-helix	trans	-59.7	-42	176.5	-72.9	-28.4	0	0	0	110.5	L277 S463 D464 S471	L277-N467 HydrophobicContact CD2-CB 4.08Å; S463-N467 VanDerWaalsContact O-CB 3.23Å; S463-N467 WeakPolarHBondContact O-CB 3.48Å; S463-N467 PolarHBondContact O-N 3.2Å; S463-N467 PolarHBondContact O-ND2 2.8Å; S463-N467 VanDerWaalsContact O-ND2 3.14Å; D464-N467 PolarHBondContact O-N 2.82Å; N467-S471 WeakPolarHBondContact O-CB 3.25Å; N467-S471 PolarHBondContact O-N 3.37Å; N467-S471 PolarHBondContact O-OG 3.02Å
468	F	98.1	Very high	97	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.5	-56.1	174.9	-176.9	-92.9	0	0	0	112.1	V266 L269 L277 V281 A312 H315 L316 W460 D464 V465 W466 R470 S471 F472 L474	V266-F468 HydrophobicContact CG2-CE2 4.47Å; V266-F468 HydrophobicContact CG2-CZ 4.26Å; L269-F468 HydrophobicContact CD2-CD2 4.15Å; L269-F468 HydrophobicContact CD2-CE2 4.48Å; L277-F468 HydrophobicContact CD1-CB 4.31Å; L277-F468 HydrophobicContact CD2-CB 4.48Å; V281-F468 HydrophobicContact CG2-CD2 3.97Å; V281-F468 HydrophobicContact CG2-CE2 4Å; A312-F468 HydrophobicContact CB-CD1 3.81Å; A312-F468 HydrophobicContact CB-CE1 4.08Å; H315-F468 HydrophobicContact CB-CE1 4.27Å; H315-F468 AromaticContact CD2-CE1 3.99Å; H315-F468 AromaticContact CD2-CZ 3.89Å; L316-F468 HydrophobicContact CD2-CE2 3.7Å; L316-F468 HydrophobicContact CD2-CZ 3.64Å; L316-F468 HydrophobicContact CG-CE1 4.42Å; L316-F468 HydrophobicContact CG-CE2 4.24Å; L316-F468 HydrophobicContact CG-CZ 3.75Å; W460-F468 HydrophobicContact CH2-CB 3.88Å; W460-F468 HydrophobicContact CH2-CD1 4.15Å; W460-F468 AromaticContact CH2-CD2 3.46Å; W460-F468 HydrophobicContact CH2-CD2 3.46Å; W460-F468 VanDerWaalsContact CH2-CD2 3.46Å; W460-F468 AromaticContact CH2-CE2 3.95Å; W460-F468 HydrophobicContact CH2-CE2 3.95Å; W460-F468 AromaticContact CH2-CG 3.57Å; W460-F468 HydrophobicContact CH2-CG 3.57Å; W460-F468 HydrophobicContact CH2-CZ 4.49Å; W460-F468 HydrophobicContact CZ3-CB 3.52Å; W460-F468 HydrophobicContact CZ3-CD1 4.23Å; W460-F468 HydrophobicContact CZ3-CD2 4.05Å; W460-F468 AromaticContact CZ3-CG 3.69Å; W460-F468 HydrophobicContact CZ3-CG 3.69Å; D464-F468 VanDerWaalsContact O-CB 3.28Å; D464-F468 WeakPolarHBondContact O-CB 3.48Å; D464-F468 PolarHBondContact O-N 3.43Å; V465-F468 PolarHBondContact O-N 3Å; W466-F468 VanDerWaalsContact C-N 3.27Å; W466-F468 PolarHBondContact O-N 3.25Å; F468-R470 VanDerWaalsContact C-N 3.32Å; F468-R470 PolarHBondContact O-N 3.3Å; F468-S471 PolarHBondContact O-N 3.11Å; F468-F472 HydrophobicContact CD1-CD2 4.27Å; F468-F472 HydrophobicContact CD2-CD2 4.03Å; F468-F472 AromaticContact CD2-CE2 3.55Å; F468-F472 HydrophobicContact CD2-CE2 3.55Å; F468-F472 HydrophobicContact CE1-CD2 4.14Å; F468-F472 HydrophobicContact CE1-CE2 4.42Å; F468-F472 AromaticContact CE2-CD2 3.93Å; F468-F472 HydrophobicContact CE2-CD2 3.93Å; F468-F472 AromaticContact CE2-CE2 3.38Å; F468-F472 HydrophobicContact CE2-CE2 3.38Å; F468-F472 HydrophobicContact CE2-CZ 4.44Å; F468-F472 HydrophobicContact CG-CD2 4.21Å; F468-F472 HydrophobicContact CG-CE2 4.17Å; F468-F472 AromaticContact CZ-CD2 3.97Å; F468-F472 HydrophobicContact CZ-CD2 3.97Å; F468-F472 AromaticContact CZ-CE2 3.85Å; F468-F472 HydrophobicContact CZ-CE2 3.85Å; F468-F472 WeakPolarHBondContact O-CD2 3.3Å; F468-F472 PolarHBondContact O-N 3Å; F468-L474 HydrophobicContact CD1-CD1 4.22Å; F468-L474 HydrophobicContact CE1-CD1 3.87Å
469	L	97.8	Very high	97	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56.5	-47	-178	-69.1	178.8	0	0	0	111.6	Y221 K308 T311 A312 V465 W466 F472 S473 L474	Y221-L469 PolarHBondContact OH-O 3.14Å; K308-L469 HydrophobicContact CB-CD1 3.69Å; T311-L469 HydrophobicContact CG2-CD2 3.89Å; A312-L469 HydrophobicContact CB-CD2 4.07Å; V465-L469 HydrophobicContact CG1-CD1 4.14Å; V465-L469 HydrophobicContact CG1-CG 4.46Å; V465-L469 VanDerWaalsContact O-CG 3.32Å; V465-L469 WeakPolarHBondContact O-CG 3.46Å; V465-L469 PolarHBondContact O-N 2.92Å; W466-L469 HydrophobicContact CE3-CD1 4.15Å; W466-L469 HydrophobicContact CZ3-CD1 4.09Å; W466-L469 PolarHBondContact O-N 2.74Å; L469-F472 PolarHBondContact O-N 2.78Å; L469-S473 PolarHBondContact O-N 3.28Å; L469-S473 VanDerWaalsContact O-N 3.14Å; L469-L474 HydrophobicContact CB-CB 4.5Å; L469-L474 HydrophobicContact CD2-CB 3.96Å; L469-L474 HydrophobicContact CD2-CD1 3.75Å; L469-L474 HydrophobicContact CD2-CG 4.49Å; L469-L474 PolarHBondContact O-N 2.74Å
470	R	96.4	Very high	97	Very high	69 Å²	69	24.9 Å²	24.9	26%	0.26	15%	0.146	S	C	.	.	H	α-helix	trans	-73.8	-35.2	-176.8	-65	-168	63.7	93.6	3.4	113.2	Y221 W466 F468 F472 S473 Y476 Y514	Y221-R470 HydrophobicContact CE1-CB 4.12Å; Y221-R470 HydrophobicContact CE1-CG 3.95Å; W466-R470 WeakPolarHBondContact O-CB 3.48Å; W466-R470 WeakPolarHBondContact O-CG 3.48Å; W466-R470 PolarHBondContact O-N 3.03Å; F468-R470 VanDerWaalsContact C-N 3.32Å; F468-R470 PolarHBondContact O-N 3.3Å; R470-F472 PolarHBondContact O-N 3.34Å; R470-S473 PolarHBondContact O-N 2.72Å; R470-S473 VanDerWaalsContact O-N 3.07Å; R470-Y476 PolarHBondContact NH1-OH 3.33Å; R470-Y476 VanDerWaalsContact NH1-OH 3.16Å; R470-Y514 PolarHBondContact NH1-OH 3.1Å
471	S	94.3	Very high	97	Very high	84 Å²	84	26.6 Å²	26.6	59%	0.587	16%	0.155	S	C	*	.	H	α-helix	trans	-60.2	-33.6	176.2	-64.9	0	0	0	0	112	N467 F468	N467-S471 WeakPolarHBondContact O-CB 3.25Å; N467-S471 PolarHBondContact O-N 3.37Å; N467-S471 PolarHBondContact O-OG 3.02Å; F468-S471 PolarHBondContact O-N 3.11Å
472	F	95.1	Very high	97	Very high	19 Å²	19	26.5 Å²	26.5	8%	0.083	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	5.7	177.6	-60.5	-55.5	0	0	0	113.5	P258 E265 V266 L269 F468 L469 R470 L474	P258-F472 WeakPolarHBondContact CB-O 3.45Å; E265-F472 HydrophobicContact CB-CD1 4.09Å; E265-F472 HydrophobicContact CB-CE1 3.71Å; V266-F472 HydrophobicContact CG2-CE2 4.3Å; V266-F472 HydrophobicContact CG2-CZ 4.3Å; L269-F472 HydrophobicContact CB-CZ 4.12Å; L269-F472 HydrophobicContact CD2-CE2 3.75Å; L269-F472 HydrophobicContact CD2-CZ 3.6Å; F468-F472 HydrophobicContact CD1-CD2 4.27Å; F468-F472 HydrophobicContact CD2-CD2 4.03Å; F468-F472 AromaticContact CD2-CE2 3.55Å; F468-F472 HydrophobicContact CD2-CE2 3.55Å; F468-F472 HydrophobicContact CE1-CD2 4.14Å; F468-F472 HydrophobicContact CE1-CE2 4.42Å; F468-F472 AromaticContact CE2-CD2 3.93Å; F468-F472 HydrophobicContact CE2-CD2 3.93Å; F468-F472 AromaticContact CE2-CE2 3.38Å; F468-F472 HydrophobicContact CE2-CE2 3.38Å; F468-F472 HydrophobicContact CE2-CZ 4.44Å; F468-F472 HydrophobicContact CG-CD2 4.21Å; F468-F472 HydrophobicContact CG-CE2 4.17Å; F468-F472 AromaticContact CZ-CD2 3.97Å; F468-F472 HydrophobicContact CZ-CD2 3.97Å; F468-F472 AromaticContact CZ-CE2 3.85Å; F468-F472 HydrophobicContact CZ-CE2 3.85Å; F468-F472 WeakPolarHBondContact O-CD2 3.3Å; F468-F472 PolarHBondContact O-N 3Å; L469-F472 PolarHBondContact O-N 2.78Å; R470-F472 PolarHBondContact O-N 3.34Å; F472-L474 HydrophobicContact CB-CD1 4.18Å; F472-L474 HydrophobicContact CB-CD2 4.31Å; F472-L474 HydrophobicContact CB-CG 3.81Å; F472-L474 PolarHBondContact O-N 3.26Å
473	S	95.8	Very high	97	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.035	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	31.1	-176.9	-55	0	0	0	0	113.9	Y221 N255 L469 R470	Y221-S473 WeakPolarHBondContact CE2-O 3.32Å; N255-S473 PolarHBondContact N-OG 2.78Å; N255-S473 VanDerWaalsContact N-OG 3.1Å; L469-S473 PolarHBondContact O-N 3.28Å; L469-S473 VanDerWaalsContact O-N 3.14Å; R470-S473 PolarHBondContact O-N 2.72Å; R470-S473 VanDerWaalsContact O-N 3.07Å
474	L	96.8	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.15	C	C	.	.			trans	-68.6	131.9	-177	-65.6	174.9	0	0	0	110.5	Y221 P258 H315 F468 L469 F472 Y476	Y221-L474 VanDerWaalsContact CE2-O 3.3Å; Y221-L474 WeakPolarHBondContact CE2-O 3.47Å; Y221-L474 PolarHBondContact OH-N 3.41Å; Y221-L474 PolarHBondContact OH-O 2.99Å; P258-L474 HydrophobicContact CB-CD2 3.75Å; P258-L474 HydrophobicContact CG-CD2 3.91Å; H315-L474 HydrophobicContact CB-CD1 3.81Å; F468-L474 HydrophobicContact CD1-CD1 4.22Å; F468-L474 HydrophobicContact CE1-CD1 3.87Å; L469-L474 HydrophobicContact CB-CB 4.5Å; L469-L474 HydrophobicContact CD2-CB 3.96Å; L469-L474 HydrophobicContact CD2-CD1 3.75Å; L469-L474 HydrophobicContact CD2-CG 4.49Å; L469-L474 PolarHBondContact O-N 2.74Å; F472-L474 HydrophobicContact CB-CD1 4.18Å; F472-L474 HydrophobicContact CB-CD2 4.31Å; F472-L474 HydrophobicContact CB-CG 3.81Å; F472-L474 PolarHBondContact O-N 3.26Å; L474-Y476 WeakPolarHBondContact O-CD1 3.44Å
475	P	95.6	Very high	97	Very high	60 Å²	60	25.1 Å²	25.1	39%	0.39	15%	0.146	S	C	.	.			trans	-57.5	145.1	172.9	-23.2	33.8	0	0	0	111.5	F357	F357-P475 HydrophobicContact CE2-CB 4.13Å; F357-P475 WeakPolarHBondContact CE2-O 3.49Å; F357-P475 WeakPolarHBondContact CZ-O 3.45Å
476	Y	97.4	Very high	97	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.016	15%	0.151	C	C	.	.			trans	-140.5	160	172.3	52.6	-99	0	0	0	110.8	N220 Y221 F357 W466 R470 L474 S478 Y480 D481 Y514	N220-Y476 HydrophobicContact CB-CD1 4.25Å; N220-Y476 HydrophobicContact CB-CD2 4.34Å; N220-Y476 HydrophobicContact CB-CE1 3.67Å; N220-Y476 HydrophobicContact CB-CE2 3.8Å; N220-Y476 VanDerWaalsContact CB-CZ 3.44Å; N220-Y476 PolarHBondContact ND2-O 3.45Å; N220-Y476 VanDerWaalsContact ND2-O 3.07Å; N220-Y476 PolarHBondContact O-OH 2.96Å; N220-Y476 PolarHBondContact OD1-N 3.36Å; N220-Y476 VanDerWaalsContact OD1-N 3.11Å; N220-Y476 PolarHBondContact OD1-O 3.03Å; Y221-Y476 HydrophobicContact CE1-CE1 4.23Å; Y221-Y476 HydrophobicContact CE2-CE1 4.12Å; Y221-Y476 AromaticContact CZ-CE1 3.66Å; Y221-Y476 WeakPolarHBondContact OH-CE1 3.32Å; F357-Y476 VanDerWaalsContact CE2-CA 3.45Å; W466-Y476 HydrophobicContact CH2-CD2 4.12Å; W466-Y476 HydrophobicContact CH2-CE2 4.32Å; W466-Y476 HydrophobicContact CH2-CG 4.31Å; W466-Y476 AromaticContact CZ3-CD1 3.88Å; W466-Y476 HydrophobicContact CZ3-CD1 3.88Å; W466-Y476 HydrophobicContact CZ3-CD2 4.02Å; W466-Y476 AromaticContact CZ3-CE1 3.98Å; W466-Y476 HydrophobicContact CZ3-CE1 3.98Å; W466-Y476 HydrophobicContact CZ3-CE2 4.1Å; W466-Y476 AromaticContact CZ3-CG 3.89Å; W466-Y476 HydrophobicContact CZ3-CG 3.89Å; R470-Y476 PolarHBondContact NH1-OH 3.33Å; R470-Y476 VanDerWaalsContact NH1-OH 3.16Å; L474-Y476 WeakPolarHBondContact O-CD1 3.44Å; Y476-S478 PolarHBondContact O-N 3.26Å; Y476-Y480 HydrophobicContact CD2-CD2 4.11Å; Y476-Y480 HydrophobicContact CD2-CG 4.36Å; Y476-D481 PolarHBondContact OH-OD1 3.44Å; Y476-Y514 VanDerWaalsContact OH-CE1 3.27Å; Y476-Y514 WeakPolarHBondContact OH-CE1 3.43Å
477	C	97.4	Very high	96.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	16%	0.157	C	C	.	.			trans	-53	130.4	-180	-178.4	0	0	0	0	111.6	F357 L479 Y480 I487	F357-C477 HydrophobicContact CB-CB 4.18Å; F357-C477 HydrophobicContact CD1-CB 3.9Å; F357-C477 HydrophobicContact CG-CB 4.01Å; C477-L479 PolarHBondContact O-N 3.15Å; C477-L479 VanDerWaalsContact O-N 3.09Å; C477-Y480 HydrophobicContact CB-CD2 3.89Å; C477-Y480 HydrophobicContact CB-CE2 3.97Å; C477-Y480 WeakPolarHBondContact O-CB 3.37Å; C477-Y480 WeakPolarHBondContact O-CD2 3.33Å; C477-Y480 PolarHBondContact O-N 2.68Å; C477-I487 HydrophobicContact CB-CD1 4.15Å
478	S	96.9	Very high	96.5	Very high	61 Å²	61	24 Å²	24	43%	0.427	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-64.3	-17.4	-174.6	51.8	0	0	0	0	114	Y476 Y480 D481	Y476-S478 PolarHBondContact O-N 3.26Å; S478-Y480 PolarHBondContact O-N 2.91Å; S478-D481 WeakPolarHBondContact O-CB 3.45Å; S478-D481 PolarHBondContact O-N 3.43Å
479	L	97.7	Very high	96.2	Very high	8 Å²	8	24.8 Å²	24.8	4%	0.042	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-59.8	-30	172.2	-67.9	173.1	0	0	0	112.3	F351 E353 C477 D481 A482 G483 Y484 I487	F351-L479 HydrophobicContact CB-CD1 3.56Å; F351-L479 HydrophobicContact CD1-CD1 3.7Å; F351-L479 HydrophobicContact CD1-CD2 4.1Å; F351-L479 HydrophobicContact CD2-CD1 3.88Å; F351-L479 HydrophobicContact CE1-CD1 4.35Å; F351-L479 HydrophobicContact CG-CD1 3.43Å; F351-L479 VanDerWaalsContact CG-CD1 3.43Å; E353-L479 HydrophobicContact CB-CD1 4.23Å; E353-L479 HydrophobicContact CB-CD2 4.33Å; E353-L479 HydrophobicContact CB-CG 3.86Å; E353-L479 HydrophobicContact CG-CD2 4.15Å; E353-L479 HydrophobicContact CG-CG 4.21Å; C477-L479 PolarHBondContact O-N 3.15Å; C477-L479 VanDerWaalsContact O-N 3.09Å; L479-D481 PolarHBondContact O-N 3.26Å; L479-A482 CarbonylContact O-C 3.5Å; L479-A482 WeakPolarHBondContact O-CA 3.41Å; L479-A482 WeakPolarHBondContact O-CB 3.09Å; L479-A482 PolarHBondContact O-N 2.92Å; L479-G483 PolarHBondContact O-N 3.37Å; L479-Y484 HydrophobicContact CB-CD2 3.88Å; L479-Y484 HydrophobicContact CB-CG 3.97Å; L479-Y484 HydrophobicContact CD2-CD2 4.05Å; L479-Y484 HydrophobicContact CD2-CE2 3.87Å; L479-Y484 WeakPolarHBondContact O-CB 3.39Å; L479-Y484 VanDerWaalsContact O-CD2 3.3Å; L479-Y484 WeakPolarHBondContact O-CD2 3.28Å; L479-Y484 PolarHBondContact O-N 2.97Å; L479-I487 HydrophobicContact CB-CD1 3.87Å; L479-I487 HydrophobicContact CD1-CD1 4.18Å; L479-I487 HydrophobicContact CD1-CG2 4.29Å
480	Y	98.4	Very high	95.9	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.016	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-61.9	-32.2	174.6	-69.6	-66.9	0	0	0	111.6	G307 K308 W466 Y476 C477 S478 A482 G483 Y484 I487 P512 A513	G307-Y480 WeakPolarHBondContact CA-OH 3.24Å; K308-Y480 HydrophobicContact CB-CE1 4.37Å; K308-Y480 HydrophobicContact CB-CE2 3.98Å; K308-Y480 HydrophobicContact CD-CE1 4.14Å; K308-Y480 HydrophobicContact CG-CE1 4.28Å; K308-Y480 PolarHBondContact N-OH 3.46Å; W466-Y480 AromaticContact CH2-CD1 3.64Å; W466-Y480 HydrophobicContact CH2-CD1 3.64Å; W466-Y480 AromaticContact CH2-CD2 3.94Å; W466-Y480 HydrophobicContact CH2-CD2 3.94Å; W466-Y480 HydrophobicContact CH2-CE1 4.34Å; W466-Y480 AromaticContact CH2-CG 3.46Å; W466-Y480 HydrophobicContact CH2-CG 3.46Å; W466-Y480 VanDerWaalsContact CH2-CG 3.46Å; W466-Y480 AromaticContact CZ2-CD1 3.49Å; W466-Y480 HydrophobicContact CZ2-CD1 3.49Å; W466-Y480 VanDerWaalsContact CZ2-CD1 3.49Å; W466-Y480 HydrophobicContact CZ2-CE1 4.05Å; W466-Y480 AromaticContact CZ2-CG 3.84Å; W466-Y480 HydrophobicContact CZ2-CG 3.84Å; Y476-Y480 HydrophobicContact CD2-CD2 4.11Å; Y476-Y480 HydrophobicContact CD2-CG 4.36Å; C477-Y480 HydrophobicContact CB-CD2 3.89Å; C477-Y480 HydrophobicContact CB-CE2 3.97Å; C477-Y480 WeakPolarHBondContact O-CB 3.37Å; C477-Y480 WeakPolarHBondContact O-CD2 3.33Å; C477-Y480 PolarHBondContact O-N 2.68Å; S478-Y480 PolarHBondContact O-N 2.91Å; Y480-A482 PolarHBondContact O-N 3.17Å; Y480-G483 PolarHBondContact O-N 3.02Å; Y480-Y484 WeakPolarHBondContact CD1-O 3.32Å; Y480-Y484 WeakPolarHBondContact CE1-O 3.29Å; Y480-I487 HydrophobicContact CD1-CD1 4.29Å; Y480-I487 HydrophobicContact CD2-CD1 3.95Å; Y480-I487 HydrophobicContact CE1-CD1 3.87Å; Y480-I487 HydrophobicContact CE1-CG1 4.09Å; Y480-I487 HydrophobicContact CE2-CD1 3.51Å; Y480-I487 HydrophobicContact CE2-CG1 4.5Å; Y480-I487 HydrophobicContact CG-CD1 4.3Å; Y480-I487 VanDerWaalsContact CZ-CD1 3.44Å; Y480-P512 CarbonylContact O-C 3.54Å; Y480-P512 WeakPolarHBondContact O-CA 3.3Å; Y480-A513 HydrophobicContact CD1-CB 3.7Å; Y480-A513 HydrophobicContact CG-CB 4.33Å; Y480-A513 WeakPolarHBondContact O-CB 3.43Å; Y480-A513 PolarHBondContact O-N 3.22Å
481	D	96.8	Very high	95.7	Very high	40 Å²	40	30.9 Å²	30.9	21%	0.214	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-72.2	-18.3	173.8	-65.6	-44.2	0	0	0	112.6	N220 Y476 S478 L479	N220-D481 PolarHBondContact ND2-OD2 2.87Å; Y476-D481 PolarHBondContact OH-OD1 3.44Å; S478-D481 WeakPolarHBondContact O-CB 3.45Å; S478-D481 PolarHBondContact O-N 3.43Å; L479-D481 PolarHBondContact O-N 3.26Å
482	A	96.5	Very high	95.6	Very high	44 Å²	44	28 Å²	28	36%	0.364	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-97.3	19.5	176.5	0	0	0	0	0	113.3	L479 Y480 Y484 Y510	L479-A482 CarbonylContact O-C 3.5Å; L479-A482 WeakPolarHBondContact O-CA 3.41Å; L479-A482 WeakPolarHBondContact O-CB 3.09Å; L479-A482 PolarHBondContact O-N 2.92Å; Y480-A482 PolarHBondContact O-N 3.17Å; A482-Y484 HydrophobicContact CB-CD2 4.17Å; A482-Y484 HydrophobicContact CB-CE2 4.34Å; A482-Y510 WeakPolarHBondContact O-CB 3.28Å
483	G	97.7	Very high	95.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	8.6	174	0	0	0	0	0	116	L479 Y480 T485 N496 H511	L479-G483 PolarHBondContact O-N 3.37Å; Y480-G483 PolarHBondContact O-N 3.02Å; G483-T485 PolarHBondContact O-N 3.48Å; G483-N496 VanDerWaalsContact O-CB 3.3Å; G483-N496 WeakPolarHBondContact O-CB 3.49Å; G483-N496 PolarHBondContact O-N 3.42Å; G483-H511 WeakPolarHBondContact CA-O 3.37Å; G483-H511 PolarHBondContact N-O 3.36Å
484	Y	98.2	Very high	95.6	Very high	34 Å²	34	31.5 Å²	31.5	13%	0.133	18%	0.18	C	C	.	.			trans	-74.8	107.3	171.9	-71.2	-102.5	0	0	0	109.6	F351 L479 Y480 A482 T493 P495 A513	F351-Y484 HydrophobicContact CE1-CE1 4.01Å; F351-Y484 HydrophobicContact CE2-CE1 4.5Å; F351-Y484 AromaticContact CZ-CE1 3.7Å; F351-Y484 HydrophobicContact CZ-CE1 3.7Å; L479-Y484 HydrophobicContact CB-CD2 3.88Å; L479-Y484 HydrophobicContact CB-CG 3.97Å; L479-Y484 HydrophobicContact CD2-CD2 4.05Å; L479-Y484 HydrophobicContact CD2-CE2 3.87Å; L479-Y484 WeakPolarHBondContact O-CB 3.39Å; L479-Y484 VanDerWaalsContact O-CD2 3.3Å; L479-Y484 WeakPolarHBondContact O-CD2 3.28Å; L479-Y484 PolarHBondContact O-N 2.97Å; Y480-Y484 WeakPolarHBondContact CD1-O 3.32Å; Y480-Y484 WeakPolarHBondContact CE1-O 3.29Å; A482-Y484 HydrophobicContact CB-CD2 4.17Å; A482-Y484 HydrophobicContact CB-CE2 4.34Å; Y484-T493 HydrophobicContact CD1-CG2 3.57Å; Y484-T493 HydrophobicContact CE1-CG2 3.93Å; Y484-P495 HydrophobicContact CD2-CG 4.18Å; Y484-P495 HydrophobicContact CE1-CG 4.42Å; Y484-P495 HydrophobicContact CE2-CB 4.41Å; Y484-P495 HydrophobicContact CE2-CG 3.62Å; Y484-A513 WeakPolarHBondContact O-CB 3.4Å
485	T	97.8	Very high	95.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	19%	0.188	C	C	.	.	S	Bend	trans	-88	-20	-178.2	51	0	0	0	0	113.4	Y462 G483 N496 L499 A513 L516 E522	Y462-T485 WeakPolarHBondContact OH-CG2 3.39Å; G483-T485 PolarHBondContact O-N 3.48Å; T485-N496 HydrophobicContact CG2-CB 3.66Å; T485-N496 WeakPolarHBondContact OG1-CB 3.4Å; T485-N496 PolarHBondContact OG1-ND2 2.96Å; T485-L499 HydrophobicContact CG2-CD1 3.48Å; T485-L499 VanDerWaalsContact CG2-CD1 3.48Å; T485-L499 HydrophobicContact CG2-CG 4.49Å; T485-A513 HydrophobicContact CG2-CB 3.98Å; T485-L516 HydrophobicContact CG2-CB 4.3Å; T485-L516 HydrophobicContact CG2-CD2 4.04Å; T485-E522 WeakPolarHBondContact CB-O 3.28Å; T485-E522 PolarHBondContact OG1-O 2.88Å
486	S	96.4	Very high	95.8	Very high	15 Å²	15	29.9 Å²	29.9	11%	0.105	17%	0.169	C	C	.	.	S	Bend	trans	-141	134.5	173.6	-175.2	0	0	0	0	108.1	T493	S486-T493 WeakPolarHBondContact O-CG2 3.35Å
487	I	94.1	Very high	95.7	Very high	26 Å²	26	33.3 Å²	33.3	13%	0.133	19%	0.192	C	C	.	.			trans	-119.6	130.1	-174.1	-57.8	173.6	0	0	0	109.4	F351 C477 L479 Y480	F351-I487 HydrophobicContact CD2-CG2 4.22Å; C477-I487 HydrophobicContact CB-CD1 4.15Å; L479-I487 HydrophobicContact CB-CD1 3.87Å; L479-I487 HydrophobicContact CD1-CD1 4.18Å; L479-I487 HydrophobicContact CD1-CG2 4.29Å; Y480-I487 HydrophobicContact CD1-CD1 4.29Å; Y480-I487 HydrophobicContact CD2-CD1 3.95Å; Y480-I487 HydrophobicContact CE1-CD1 3.87Å; Y480-I487 HydrophobicContact CE1-CG1 4.09Å; Y480-I487 HydrophobicContact CE2-CD1 3.51Å; Y480-I487 HydrophobicContact CE2-CG1 4.5Å; Y480-I487 HydrophobicContact CG-CD1 4.3Å; Y480-I487 VanDerWaalsContact CZ-CD1 3.44Å
488	G	91.1	Very high	95.7	Very high	27 Å²	27	37 Å²	37	28%	0.278	21%	0.209	S	C	.	.			trans	-137.4	-124.2	163.3	0	0	0	0	0	109.8	T493	G488-T493 PolarHBondContact N-OG1 2.87Å
489	S	91.5	Very high	95.7	Very high	18 Å²	18	34.5 Å²	34.5	13%	0.126	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-81.8	161.9	179.5	67.5	0	0	0	0	112.6	S349 F351 E491 D492 T493	S349-S489 WeakPolarHBondContact OG-CB 3.36Å; F351-S489 WeakPolarHBondContact CE2-O 3.33Å; S489-E491 VanDerWaalsContact CB-OE2 3.31Å; S489-E491 WeakPolarHBondContact CB-OE2 3.33Å; S489-E491 PolarHBondContact O-N 3.13Å; S489-E491 PolarHBondContact OG-OE2 2.95Å; S489-D492 WeakPolarHBondContact CA-OD1 3.03Å; S489-D492 WeakPolarHBondContact CB-OD1 3.34Å; S489-D492 PolarHBondContact N-OD1 3.25Å; S489-D492 PolarHBondContact O-N 2.95Å; S489-D492 PolarHBondContact OG-OD1 3.42Å; S489-T493 VanDerWaalsContact O-CB 3.27Å; S489-T493 WeakPolarHBondContact O-CB 3.27Å; S489-T493 PolarHBondContact O-N 3.46Å; S489-T493 PolarHBondContact O-OG1 2.98Å
490	M	93	Very high	95.7	Very high	84 Å²	84	40.4 Å²	40.4	41%	0.414	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.5	176.2	-72	-173.8	-65.1	0	0	113	S349 S350 F351	S349-M490 WeakPolarHBondContact O-CB 3.39Å; S349-M490 VanDerWaalsContact O-CG 3.32Å; S349-M490 WeakPolarHBondContact O-CG 3.42Å; S349-M490 PolarHBondContact O-N 2.85Å; S350-M490 WeakPolarHBondContact O-CE 3.37Å; F351-M490 HydrophobicContact CB-CG 4.44Å; F351-M490 HydrophobicContact CD1-CG 3.67Å; F351-M490 HydrophobicContact CD1-SD 4.32Å; F351-M490 HydrophobicContact CD2-CG 3.85Å; F351-M490 HydrophobicContact CE1-CG 3.75Å; F351-M490 HydrophobicContact CE2-CB 4.42Å; F351-M490 HydrophobicContact CE2-CG 3.92Å; F351-M490 HydrophobicContact CG-CG 3.71Å; F351-M490 HydrophobicContact CZ-CB 4.28Å; F351-M490 HydrophobicContact CZ-CG 3.87Å
491	E	91.1	Very high	95.7	Very high	113 Å²	113	44.5 Å²	44.5	53%	0.528	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-26	179.7	-60.2	76.9	-165.9	0	0	113.2	S349 S489	S349-E491 WeakPolarHBondContact CB-OE1 3.47Å; S349-E491 WeakPolarHBondContact CB-OE2 3.37Å; S349-E491 PolarHBondContact OG-OE1 3.11Å; S349-E491 VanDerWaalsContact OG-OE1 3.12Å; S349-E491 PolarHBondContact OG-OE2 2.64Å; S489-E491 VanDerWaalsContact CB-OE2 3.31Å; S489-E491 WeakPolarHBondContact CB-OE2 3.33Å; S489-E491 PolarHBondContact O-N 3.13Å; S489-E491 PolarHBondContact OG-OE2 2.95Å
492	D	91.7	Very high	95.6	Very high	23 Å²	23	48.1 Å²	48.1	12%	0.123	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	11.2	-170.5	79.2	-18.8	0	0	0	113.8	S489 R526 V527	S489-D492 WeakPolarHBondContact CA-OD1 3.03Å; S489-D492 WeakPolarHBondContact CB-OD1 3.34Å; S489-D492 PolarHBondContact N-OD1 3.25Å; S489-D492 PolarHBondContact O-N 2.95Å; S489-D492 PolarHBondContact OG-OD1 3.42Å; D492-R526 VanDerWaalsContact O-CA 3.31Å; D492-R526 WeakPolarHBondContact O-CA 3.38Å; D492-R526 PolarHBondContact O-NH1 3.43Å; D492-R526 IonicContact OD1-CZ 2.87Å; D492-R526 IonicContact OD1-NH1 3.6Å; D492-R526 PolarHBondContact OD1-NH1 3.21Å; D492-R526 IonicContact OD1-NH2 2.73Å; D492-R526 IonicContact OD2-CZ 2.78Å; D492-R526 IonicContact OD2-NH1 3.94Å; D492-R526 PolarHBondContact OD2-NH1 3.5Å; D492-R526 IonicContact OD2-NH2 3.38Å; D492-R526 PolarHBondContact OD2-NH2 2.67Å; D492-V527 PolarHBondContact O-N 3.22Å
493	T	95.4	Very high	95.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-130.7	126.1	-179.5	-39.4	0	0	0	0	112.8	F351 Y484 S486 G488 S489 R526	F351-T493 HydrophobicContact CE2-CG2 4.44Å; Y484-T493 HydrophobicContact CD1-CG2 3.57Å; Y484-T493 HydrophobicContact CE1-CG2 3.93Å; S486-T493 WeakPolarHBondContact O-CG2 3.35Å; G488-T493 PolarHBondContact N-OG1 2.87Å; S489-T493 VanDerWaalsContact O-CB 3.27Å; S489-T493 WeakPolarHBondContact O-CB 3.27Å; S489-T493 PolarHBondContact O-N 3.46Å; S489-T493 PolarHBondContact O-OG1 2.98Å; T493-R526 PolarHBondContact OG1-NH1 2.62Å
494	H	96.5	Very high	95.3	Very high	97 Å²	97	58 Å²	58	45%	0.449	29%	0.288	S	S	.	.			trans	-126	160	170.2	-59.1	-59.2	0	0	0	111.2	G525	H494-G525 PolarHBondContact N-O 2.99Å
495	P	97.5	Very high	95.1	Very high	25 Å²	25	60.4 Å²	60.4	16%	0.162	31%	0.31	C	S	.	.			trans	-54.9	144.5	170.7	-22.9	32.4	0	0	0	111.4	Y484 P497 Y510	Y484-P495 HydrophobicContact CD2-CG 4.18Å; Y484-P495 HydrophobicContact CE1-CG 4.42Å; Y484-P495 HydrophobicContact CE2-CB 4.41Å; Y484-P495 HydrophobicContact CE2-CG 3.62Å; P495-P497 WeakPolarHBondContact O-CD 3.33Å; P495-Y510 HydrophobicContact CB-CD1 3.59Å; P495-Y510 HydrophobicContact CB-CD2 3.82Å; P495-Y510 HydrophobicContact CB-CE1 3.52Å; P495-Y510 HydrophobicContact CB-CE2 3.79Å; P495-Y510 HydrophobicContact CB-CG 3.75Å; P495-Y510 HydrophobicContact CG-CD2 4.21Å; P495-Y510 HydrophobicContact CG-CE2 3.99Å
496	N	97.9	Very high	95	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.337	C	S	.	.			trans	-65.9	118.7	-179.4	-170.8	-41.5	0	0	0	110.3	G483 T485 Q498 L499 Y510 C521 I524	G483-N496 VanDerWaalsContact O-CB 3.3Å; G483-N496 WeakPolarHBondContact O-CB 3.49Å; G483-N496 PolarHBondContact O-N 3.42Å; T485-N496 HydrophobicContact CG2-CB 3.66Å; T485-N496 WeakPolarHBondContact OG1-CB 3.4Å; T485-N496 PolarHBondContact OG1-ND2 2.96Å; N496-Q498 PolarHBondContact O-N 2.77Å; N496-Q498 WeakPolarHBondContact OD1-CB 3.12Å; N496-Q498 PolarHBondContact OD1-N 2.81Å; N496-L499 HydrophobicContact CB-CD1 4.15Å; N496-L499 HydrophobicContact CB-CG 4.24Å; N496-L499 PolarHBondContact O-N 3.2Å; N496-Y510 WeakPolarHBondContact O-CD1 3.28Å; N496-Y510 WeakPolarHBondContact O-CE1 3.37Å; N496-C521 PolarHBondContact ND2-O 3.16Å; N496-I524 WeakPolarHBondContact OD1-CD1 3.38Å
497	P	96.6	Very high	94.9	Very high	76 Å²	76	71.2 Å²	71.2	49%	0.494	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-62.1	-22.9	-178.3	24.4	-34.6	0	0	0	114.3	P495 L499 R500 I524	P495-P497 WeakPolarHBondContact O-CD 3.33Å; P497-L499 VanDerWaalsContact C-N 3.27Å; P497-L499 PolarHBondContact O-N 2.94Å; P497-R500 WeakPolarHBondContact O-CB 3.31Å; P497-R500 PolarHBondContact O-N 3.27Å; P497-I524 HydrophobicContact CG-CD1 3.64Å; P497-I524 HydrophobicContact CG-CG1 3.98Å
498	Q	96.8	Very high	95	Very high	80 Å²	80	74.5 Å²	74.5	37%	0.374	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-69.8	-25.1	174.4	-75	-173.5	-37.7	0	0	113.1	N496 R500 L516 E518 C521 I524	N496-Q498 PolarHBondContact O-N 2.77Å; N496-Q498 WeakPolarHBondContact OD1-CB 3.12Å; N496-Q498 PolarHBondContact OD1-N 2.81Å; Q498-R500 VanDerWaalsContact C-N 3.26Å; Q498-L516 HydrophobicContact CB-CD1 4.11Å; Q498-E518 PolarHBondContact NE2-OE2 2.99Å; Q498-C521 PolarHBondContact NE2-SG 2.97Å; Q498-C521 VanDerWaalsContact NE2-SG 3.41Å; Q498-C521 PolarHBondContact OE1-SG 3.29Å; Q498-I524 HydrophobicContact CG-CD1 3.88Å
499	L	97.8	Very high	95.3	Very high	8 Å²	8	74.1 Å²	74.1	4%	0.042	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-85.8	-0.9	177.4	-61.8	179	0	0	0	112.5	T485 N496 P497 Y510 H511 L516	T485-L499 HydrophobicContact CG2-CD1 3.48Å; T485-L499 VanDerWaalsContact CG2-CD1 3.48Å; T485-L499 HydrophobicContact CG2-CG 4.49Å; N496-L499 HydrophobicContact CB-CD1 4.15Å; N496-L499 HydrophobicContact CB-CG 4.24Å; N496-L499 PolarHBondContact O-N 3.2Å; P497-L499 VanDerWaalsContact C-N 3.27Å; P497-L499 PolarHBondContact O-N 2.94Å; L499-Y510 HydrophobicContact CB-CD1 4.48Å; L499-Y510 CarbonylContact O-C 3.56Å; L499-Y510 VanDerWaalsContact O-CA 3.26Å; L499-Y510 WeakPolarHBondContact O-CA 3.49Å; L499-H511 HydrophobicContact CB-CB 4.32Å; L499-H511 WeakPolarHBondContact CD1-O 3.46Å; L499-H511 HydrophobicContact CD2-CB 4.32Å; L499-H511 PolarHBondContact O-CD2 2.88Å; L499-H511 PolarHBondContact O-N 3.16Å; L499-L516 HydrophobicContact CD2-CB 4.16Å; L499-L516 HydrophobicContact CD2-CD1 4.15Å; L499-L516 HydrophobicContact CG-CD1 4.26Å
500	R	97.5	Very high	95.6	Very high	131 Å²	131	76.4 Å²	76.4	49%	0.494	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	134	-175.6	-173.6	-179.4	165.7	-174.1	-4.6	111.4	P497 Q498 I508 A509 Y510	P497-R500 WeakPolarHBondContact O-CB 3.31Å; P497-R500 PolarHBondContact O-N 3.27Å; Q498-R500 VanDerWaalsContact C-N 3.26Å; R500-I508 HydrophobicContact CG-CG2 3.79Å; R500-A509 WeakPolarHBondContact CA-O 3.32Å; R500-Y510 HydrophobicContact CB-CD1 3.92Å; R500-Y510 HydrophobicContact CB-CE1 3.62Å; R500-Y510 HydrophobicContact CG-CD1 4.49Å; R500-Y510 HydrophobicContact CG-CE1 3.98Å
501	Y	97	Very high	95.8	Very high	91 Å²	91	76.5 Å²	76.5	36%	0.357	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	170.4	168.5	70.7	-80.9	0	0	0	111.2	T503 A509 Y510 H511	Y501-T503 HydrophobicContact CE2-CG2 3.9Å; Y501-A509 HydrophobicContact CD1-CB 4.2Å; Y501-A509 HydrophobicContact CD2-CB 4.44Å; Y501-A509 HydrophobicContact CE1-CB 3.62Å; Y501-A509 HydrophobicContact CE2-CB 3.89Å; Y501-A509 VanDerWaalsContact CZ-CB 3.44Å; Y501-A509 PolarHBondContact N-O 3.18Å; Y501-A509 PolarHBondContact O-N 2.78Å; Y501-A509 VanDerWaalsContact O-O 3.12Å; Y501-Y510 VanDerWaalsContact CE1-C 3.45Å; Y501-H511 AromaticContact CD1-CD2 3.51Å; Y501-H511 AromaticContact CD1-CE1 3.63Å; Y501-H511 AromaticContact CD1-CG 3.88Å; Y501-H511 AromaticContact CD1-ND1 3.95Å; Y501-H511 AromaticContact CD1-NE2 3.34Å; Y501-H511 VanDerWaalsContact CD1-NE2 3.34Å; Y501-H511 WeakPolarHBondContact CD1-NE2 3.34Å; Y501-H511 AromaticContact CE1-CE1 3.73Å; Y501-H511 AromaticContact CE1-CG 3.98Å; Y501-H511 AromaticContact CE1-ND1 3.77Å; Y501-H511 AromaticContact CE1-NE2 3.92Å; Y501-H511 AromaticContact CG-NE2 3.63Å
502	I	96.3	Very high	96.1	Very high	116 Å²	116	72.4 Å²	72.4	60%	0.595	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.8	175.2	-59.1	176.9	0	0	0	107.8
503	T	94.3	Very high	96.5	Very high	39 Å²	39	71.3 Å²	71.3	24%	0.239	36%	0.36	C	S	.	.			trans	-67	162.7	175.2	62.9	0	0	0	0	111.2	Y501 S505 G506 R507 A509	Y501-T503 HydrophobicContact CE2-CG2 3.9Å; T503-S505 PolarHBondContact O-N 2.8Å; T503-S505 PolarHBondContact OG1-OG 3.27Å; T503-G506 PolarHBondContact O-N 3.14Å; T503-R507 PolarHBondContact N-O 3.07Å; T503-R507 WeakPolarHBondContact OG1-CB 3.28Å; T503-R507 PolarHBondContact OG1-N 3.3Å; T503-R507 VanDerWaalsContact OG1-N 3.15Å; T503-R507 PolarHBondContact OG1-O 3.36Å; T503-R507 VanDerWaalsContact OG1-O 3.06Å; T503-A509 HydrophobicContact CG2-CB 3.72Å
504	E	92.9	Very high	96.5	Very high	211 Å²	211	74.9 Å²	74.9	99%	0.986	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.9	174.8	-62.9	178.9	176.5	0	0	113.2	G506	E504-G506 PolarHBondContact O-N 3.39Å
505	S	94.8	Very high	96.6	Very high	86 Å²	86	72.8 Å²	72.8	60%	0.601	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	1.6	175.8	71.7	0	0	0	0	114.9	T503 R507	T503-S505 PolarHBondContact O-N 2.8Å; T503-S505 PolarHBondContact OG1-OG 3.27Å; S505-R507 VanDerWaalsContact C-N 3.31Å; S505-R507 PolarHBondContact O-N 2.98Å; S505-R507 WeakPolarHBondContact OG-CG 3.47Å
506	G	94.5	Very high	96.6	Very high	56 Å²	56	72 Å²	72	58%	0.577	36%	0.363	S	S	*	.	S	Bend	trans	79.2	6	-176.8	0	0	0	0	0	114.9	T503 E504	T503-G506 PolarHBondContact O-N 3.14Å; E504-G506 PolarHBondContact O-N 3.39Å
507	R	95.4	Very high	96.4	Very high	187 Å²	187	79.4 Å²	79.4	71%	0.706	40%	0.402	S	S	*	.			trans	-84.3	141	178.1	-61.9	176.8	-179.2	-177.4	0.5	111.4	T503 S505	T503-R507 PolarHBondContact N-O 3.07Å; T503-R507 WeakPolarHBondContact OG1-CB 3.28Å; T503-R507 PolarHBondContact OG1-N 3.3Å; T503-R507 VanDerWaalsContact OG1-N 3.15Å; T503-R507 PolarHBondContact OG1-O 3.36Å; T503-R507 VanDerWaalsContact OG1-O 3.06Å; S505-R507 VanDerWaalsContact C-N 3.31Å; S505-R507 PolarHBondContact O-N 2.98Å; S505-R507 WeakPolarHBondContact OG-CG 3.47Å
508	I	95.9	Very high	96.4	Very high	95 Å²	95	80.8 Å²	80.8	49%	0.487	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	132.1	171.1	-60.9	166.8	0	0	0	108.9	R500 Y510	R500-I508 HydrophobicContact CG-CG2 3.79Å; I508-Y510 HydrophobicContact CG2-CE2 3.96Å
509	A	96.8	Very high	96.3	Very high	20 Å²	20	79.7 Å²	79.7	17%	0.165	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	172.9	174.4	0	0	0	0	0	110.1	R500 Y501 T503	R500-A509 WeakPolarHBondContact CA-O 3.32Å; Y501-A509 HydrophobicContact CD1-CB 4.2Å; Y501-A509 HydrophobicContact CD2-CB 4.44Å; Y501-A509 HydrophobicContact CE1-CB 3.62Å; Y501-A509 HydrophobicContact CE2-CB 3.89Å; Y501-A509 VanDerWaalsContact CZ-CB 3.44Å; Y501-A509 PolarHBondContact N-O 3.18Å; Y501-A509 PolarHBondContact O-N 2.78Å; Y501-A509 VanDerWaalsContact O-O 3.12Å; T503-A509 HydrophobicContact CG2-CB 3.72Å
510	Y	98	Very high	96.1	Very high	66 Å²	66	86.9 Å²	86.9	26%	0.259	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.6	-179.6	-62.9	-96.2	0	0	0	110.5	A482 P495 N496 L499 R500 Y501 I508	A482-Y510 WeakPolarHBondContact O-CB 3.28Å; P495-Y510 HydrophobicContact CB-CD1 3.59Å; P495-Y510 HydrophobicContact CB-CD2 3.82Å; P495-Y510 HydrophobicContact CB-CE1 3.52Å; P495-Y510 HydrophobicContact CB-CE2 3.79Å; P495-Y510 HydrophobicContact CB-CG 3.75Å; P495-Y510 HydrophobicContact CG-CD2 4.21Å; P495-Y510 HydrophobicContact CG-CE2 3.99Å; N496-Y510 WeakPolarHBondContact O-CD1 3.28Å; N496-Y510 WeakPolarHBondContact O-CE1 3.37Å; L499-Y510 HydrophobicContact CB-CD1 4.48Å; L499-Y510 CarbonylContact O-C 3.56Å; L499-Y510 VanDerWaalsContact O-CA 3.26Å; L499-Y510 WeakPolarHBondContact O-CA 3.49Å; R500-Y510 HydrophobicContact CB-CD1 3.92Å; R500-Y510 HydrophobicContact CB-CE1 3.62Å; R500-Y510 HydrophobicContact CG-CD1 4.49Å; R500-Y510 HydrophobicContact CG-CE1 3.98Å; Y501-Y510 VanDerWaalsContact CE1-C 3.45Å; I508-Y510 HydrophobicContact CG2-CE2 3.96Å
511	H	97.7	Very high	96	Very high	85 Å²	85	81.4 Å²	81.4	39%	0.394	42%	0.416	S	S	.	.			trans	-71.1	155.2	171.3	-67.1	-68.2	0	0	0	110.4	G483 L499 Y501 T515	G483-H511 WeakPolarHBondContact CA-O 3.37Å; G483-H511 PolarHBondContact N-O 3.36Å; L499-H511 HydrophobicContact CB-CB 4.32Å; L499-H511 WeakPolarHBondContact CD1-O 3.46Å; L499-H511 HydrophobicContact CD2-CB 4.32Å; L499-H511 PolarHBondContact O-CD2 2.88Å; L499-H511 PolarHBondContact O-N 3.16Å; Y501-H511 AromaticContact CD1-CD2 3.51Å; Y501-H511 AromaticContact CD1-CE1 3.63Å; Y501-H511 AromaticContact CD1-CG 3.88Å; Y501-H511 AromaticContact CD1-ND1 3.95Å; Y501-H511 AromaticContact CD1-NE2 3.34Å; Y501-H511 VanDerWaalsContact CD1-NE2 3.34Å; Y501-H511 WeakPolarHBondContact CD1-NE2 3.34Å; Y501-H511 AromaticContact CE1-CE1 3.73Å; Y501-H511 AromaticContact CE1-CG 3.98Å; Y501-H511 AromaticContact CE1-ND1 3.77Å; Y501-H511 AromaticContact CE1-NE2 3.92Å; Y501-H511 AromaticContact CG-NE2 3.63Å; H511-T515 VanDerWaalsContact CB-OG1 3.31Å; H511-T515 WeakPolarHBondContact CB-OG1 3.28Å
512	P	97.5	Very high	96	Very high	28 Å²	28	77.6 Å²	77.6	18%	0.182	40%	0.401	C	S	.	.			trans	-59.8	148.7	177	-26.4	36.7	0	0	0	113.1	Y480 Y514 T515	Y480-P512 CarbonylContact O-C 3.54Å; Y480-P512 WeakPolarHBondContact O-CA 3.3Å; P512-Y514 VanDerWaalsContact C-N 3.27Å; P512-Y514 HydrophobicContact CB-CD1 3.72Å; P512-Y514 HydrophobicContact CB-CE1 3.16Å; P512-Y514 HydrophobicContact CB-CE2 4.12Å; P512-Y514 HydrophobicContact CB-CG 4.37Å; P512-Y514 HydrophobicContact CG-CE1 3.97Å; P512-Y514 PolarHBondContact O-N 3.42Å; P512-Y514 VanDerWaalsContact O-N 3.16Å; P512-T515 WeakPolarHBondContact O-CB 3.43Å; P512-T515 PolarHBondContact O-N 3.14Å; P512-T515 PolarHBondContact O-OG1 3.31Å
513	A	98.3	Very high	95.9	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-55.7	-37.6	-174.2	0	0	0	0	0	113.7	Y462 W466 Y480 Y484 T485 T515 L516	Y462-A513 PolarHBondContact OH-O 3.44Å; W466-A513 HydrophobicContact CH2-CB 4.3Å; W466-A513 HydrophobicContact CZ2-CB 3.53Å; Y480-A513 HydrophobicContact CD1-CB 3.7Å; Y480-A513 HydrophobicContact CG-CB 4.33Å; Y480-A513 WeakPolarHBondContact O-CB 3.43Å; Y480-A513 PolarHBondContact O-N 3.22Å; Y484-A513 WeakPolarHBondContact O-CB 3.4Å; T485-A513 HydrophobicContact CG2-CB 3.98Å; A513-T515 PolarHBondContact O-N 2.89Å; A513-L516 WeakPolarHBondContact O-CB 2.73Å; A513-L516 PolarHBondContact O-N 3Å; A513-L516 VanDerWaalsContact O-N 3.09Å
514	Y	97.4	Very high	95.9	Very high	76 Å²	76	78 Å²	78	30%	0.298	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-65.3	-4.1	177.5	60	-99.6	0	0	0	114.6	R470 Y476 P512	R470-Y514 PolarHBondContact NH1-OH 3.1Å; Y476-Y514 VanDerWaalsContact OH-CE1 3.27Å; Y476-Y514 WeakPolarHBondContact OH-CE1 3.43Å; P512-Y514 VanDerWaalsContact C-N 3.27Å; P512-Y514 HydrophobicContact CB-CD1 3.72Å; P512-Y514 HydrophobicContact CB-CE1 3.16Å; P512-Y514 HydrophobicContact CB-CE2 4.12Å; P512-Y514 HydrophobicContact CB-CG 4.37Å; P512-Y514 HydrophobicContact CG-CE1 3.97Å; P512-Y514 PolarHBondContact O-N 3.42Å; P512-Y514 VanDerWaalsContact O-N 3.16Å
515	T	97.5	Very high	96	Very high	53 Å²	53	68.4 Å²	68.4	33%	0.325	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-98	5.6	175.4	67.7	0	0	0	0	113.3	H511 P512 A513 D517	H511-T515 VanDerWaalsContact CB-OG1 3.31Å; H511-T515 WeakPolarHBondContact CB-OG1 3.28Å; P512-T515 WeakPolarHBondContact O-CB 3.43Å; P512-T515 PolarHBondContact O-N 3.14Å; P512-T515 PolarHBondContact O-OG1 3.31Å; A513-T515 PolarHBondContact O-N 2.89Å; T515-D517 PolarHBondContact O-N 3.37Å
516	L	97.8	Very high	95.9	Very high	9 Å²	9	66.3 Å²	66.3	5%	0.047	33%	0.332	C	S	.	.			trans	-70.4	111.9	176	-176.7	75.2	0	0	0	110.7	Y462 T485 Q498 L499 A513 E522	Y462-L516 HydrophobicContact CE1-CB 3.82Å; Y462-L516 HydrophobicContact CE1-CD2 4.04Å; Y462-L516 HydrophobicContact CE1-CG 4.49Å; T485-L516 HydrophobicContact CG2-CB 4.3Å; T485-L516 HydrophobicContact CG2-CD2 4.04Å; Q498-L516 HydrophobicContact CB-CD1 4.11Å; L499-L516 HydrophobicContact CD2-CB 4.16Å; L499-L516 HydrophobicContact CD2-CD1 4.15Å; L499-L516 HydrophobicContact CG-CD1 4.26Å; A513-L516 WeakPolarHBondContact O-CB 2.73Å; A513-L516 PolarHBondContact O-N 3Å; A513-L516 VanDerWaalsContact O-N 3.09Å; L516-E522 HydrophobicContact CD2-CB 4.39Å
517	D	94.6	Very high	95.5	Very high	155 Å²	155	66.8 Å²	66.8	83%	0.829	32%	0.324	S	S	*	.	S	Bend	trans	-73.4	-44.8	178.2	-65.2	-38.8	0	0	0	112.6	T515 E519	T515-D517 PolarHBondContact O-N 3.37Å; D517-E519 PolarHBondContact O-N 3.13Å
518	E	95.2	Very high	94.2	Very high	105 Å²	105	65.3 Å²	65.3	49%	0.491	32%	0.324	S	S	.	.			trans	-87.9	88.8	-179.5	-70	-177.2	-169.4	0	0	111.3	Q498 I520 C521	Q498-E518 PolarHBondContact NE2-OE2 2.99Å; E518-I520 HydrophobicContact CB-CG1 4.42Å; E518-I520 PolarHBondContact O-N 3.33Å; E518-I520 VanDerWaalsContact O-N 3.09Å; E518-C521 HydrophobicContact CB-CB 4.33Å; E518-C521 VanDerWaalsContact O-CB 3.3Å; E518-C521 WeakPolarHBondContact O-CB 3.41Å; E518-C521 PolarHBondContact O-N 2.75Å
519	E	94.2	Very high	92	Very high	57 Å²	57	67.8 Å²	67.8	27%	0.266	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-57	-30.4	-177.4	-56.9	-165.5	174.6	0	0	114.4	T461 Y462 S463 D517 C521 E522	T461-E519 WeakPolarHBondContact CB-OE2 3.35Å; Y462-E519 WeakPolarHBondContact CB-OE2 3.4Å; Y462-E519 HydrophobicContact CD1-CG 4.24Å; Y462-E519 HydrophobicContact CG-CG 4.4Å; Y462-E519 PolarHBondContact N-OE2 2.97Å; S463-E519 WeakPolarHBondContact CB-OE1 3.47Å; S463-E519 PolarHBondContact N-OE1 2.73Å; S463-E519 PolarHBondContact OG-OE1 2.98Å; D517-E519 PolarHBondContact O-N 3.13Å; E519-C521 PolarHBondContact O-N 2.98Å; E519-E522 VanDerWaalsContact O-CB 3.26Å; E519-E522 WeakPolarHBondContact O-CB 3.33Å; E519-E522 PolarHBondContact O-N 3.35Å
520	I	94.1	Very high	89.1	Confident	158 Å²	158	73.9 Å²	73.9	81%	0.81	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-58.6	-22	176.5	59.8	166.9	0	0	0	112.5	E518	E518-I520 HydrophobicContact CB-CG1 4.42Å; E518-I520 PolarHBondContact O-N 3.33Å; E518-I520 VanDerWaalsContact O-N 3.09Å
521	C	95.5	Very high	86.2	Confident	17 Å²	17	76.4 Å²	76.4	12%	0.115	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-92.2	7.4	-179.5	-71.3	0	0	0	0	113.1	N496 Q498 E518 E519 R523 I524	N496-C521 PolarHBondContact ND2-O 3.16Å; Q498-C521 PolarHBondContact NE2-SG 2.97Å; Q498-C521 VanDerWaalsContact NE2-SG 3.41Å; Q498-C521 PolarHBondContact OE1-SG 3.29Å; E518-C521 HydrophobicContact CB-CB 4.33Å; E518-C521 VanDerWaalsContact O-CB 3.3Å; E518-C521 WeakPolarHBondContact O-CB 3.41Å; E518-C521 PolarHBondContact O-N 2.75Å; E519-C521 PolarHBondContact O-N 2.98Å; C521-R523 PolarHBondContact O-N 3.1Å; C521-I524 HydrophobicContact CB-CD1 4Å; C521-I524 HydrophobicContact CB-CG1 4.43Å; C521-I524 HydrophobicContact CB-CG2 4.02Å; C521-I524 WeakPolarHBondContact O-CG1 3.15Å; C521-I524 PolarHBondContact O-N 3.03Å
522	E	96.3	Very high	82.9	Confident	11 Å²	11	81 Å²	81	5%	0.051	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-36	179.3	170.6	179.4	-174	0	0	113.4	K308 R429 Y462 T485 L516 E519	K308-E522 IonicContact NZ-OE1 3.22Å; K308-E522 PolarHBondContact NZ-OE1 2.79Å; R429-E522 IonicContact CZ-OE2 3.89Å; R429-E522 IonicContact NH1-OE2 3.6Å; R429-E522 IonicContact NH2-OE1 2.73Å; R429-E522 PolarHBondContact NH2-OE1 3.27Å; R429-E522 IonicContact NH2-OE2 3.55Å; R429-E522 PolarHBondContact NH2-OE2 3.44Å; Y462-E522 HydrophobicContact CD2-CB 4.01Å; Y462-E522 HydrophobicContact CD2-CG 3.68Å; Y462-E522 WeakPolarHBondContact CD2-OE2 3.33Å; Y462-E522 HydrophobicContact CE2-CB 4.12Å; Y462-E522 HydrophobicContact CE2-CG 3.61Å; T485-E522 WeakPolarHBondContact CB-O 3.28Å; T485-E522 PolarHBondContact OG1-O 2.88Å; L516-E522 HydrophobicContact CD2-CB 4.39Å; E519-E522 VanDerWaalsContact O-CB 3.26Å; E519-E522 WeakPolarHBondContact O-CB 3.33Å; E519-E522 PolarHBondContact O-N 3.35Å
523	R	94.5	Very high	79.7	Confident	85 Å²	85	85.9 Å²	85.9	32%	0.321	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	6.5	-172.2	-60.2	-175.6	68.7	99.7	3.8	114.5	D432 C521 G525 R526	D432-R523 IonicContact OD1-NH1 3.77Å; C521-R523 PolarHBondContact O-N 3.1Å; R523-G525 PolarHBondContact O-N 3.08Å; R523-R526 HydrophobicContact CB-CG 4.18Å; R523-R526 WeakPolarHBondContact O-CB 3.27Å; R523-R526 WeakPolarHBondContact O-CG 3.29Å; R523-R526 PolarHBondContact O-N 3.21Å
524	I	94.7	Very high	76.6	Confident	79 Å²	79	95.9 Å²	95.9	41%	0.405	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.9	-175.7	70.9	177.1	0	0	0	113.5	N496 P497 Q498 C521 R526	N496-I524 WeakPolarHBondContact OD1-CD1 3.38Å; P497-I524 HydrophobicContact CG-CD1 3.64Å; P497-I524 HydrophobicContact CG-CG1 3.98Å; Q498-I524 HydrophobicContact CG-CD1 3.88Å; C521-I524 HydrophobicContact CB-CD1 4Å; C521-I524 HydrophobicContact CB-CG1 4.43Å; C521-I524 HydrophobicContact CB-CG2 4.02Å; C521-I524 WeakPolarHBondContact O-CG1 3.15Å; C521-I524 PolarHBondContact O-N 3.03Å; I524-R526 PolarHBondContact O-N 2.94Å
525	G	94.3	Very high	75.5	Confident	8 Å²	8	96.9 Å²	96.9	8%	0.082	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.3	170.6	0	0	0	0	0	114	H494 R523	H494-G525 PolarHBondContact N-O 2.99Å; R523-G525 PolarHBondContact O-N 3.08Å
526	R	93.4	Very high	74.4	Confident	42 Å²	42	99.2 Å²	99.2	16%	0.158	51%	0.507	C	S	.	.	B	Isolated β-bridge	trans	-86.5	123.7	178	-58.8	-72.5	-69.8	157.9	1.8	109.4	D492 T493 R523 I524 H528	D492-R526 VanDerWaalsContact O-CA 3.31Å; D492-R526 WeakPolarHBondContact O-CA 3.38Å; D492-R526 PolarHBondContact O-NH1 3.43Å; D492-R526 IonicContact OD1-CZ 2.87Å; D492-R526 IonicContact OD1-NH1 3.6Å; D492-R526 PolarHBondContact OD1-NH1 3.21Å; D492-R526 IonicContact OD1-NH2 2.73Å; D492-R526 IonicContact OD2-CZ 2.78Å; D492-R526 IonicContact OD2-NH1 3.94Å; D492-R526 PolarHBondContact OD2-NH1 3.5Å; D492-R526 IonicContact OD2-NH2 3.38Å; D492-R526 PolarHBondContact OD2-NH2 2.67Å; T493-R526 PolarHBondContact OG1-NH1 2.62Å; R523-R526 HydrophobicContact CB-CG 4.18Å; R523-R526 WeakPolarHBondContact O-CB 3.27Å; R523-R526 WeakPolarHBondContact O-CG 3.29Å; R523-R526 PolarHBondContact O-N 3.21Å; I524-R526 PolarHBondContact O-N 2.94Å; R526-H528 PolarHBondContact O-N 3.03Å
527	V	86.9	Confident	73.1	Confident	67 Å²	67	104.2 Å²	104.2	41%	0.406	53%	0.532	S	S	.	.			trans	-77.8	114.2	170.4	-175.1	0	0	0	0	106.9	D492 Q529	D492-V527 PolarHBondContact O-N 3.22Å; V527-Q529 PolarHBondContact O-N 2.67Å
528	H	67	Low	71.8	Confident	155 Å²	155	101.2 Å²	101.2	72%	0.718	52%	0.515	S	S	*	.			trans	-63.4	111.8	164.3	-67.5	-66.2	0	0	0	106.6	R526 N530	R526-H528 PolarHBondContact O-N 3.03Å; H528-N530 VanDerWaalsContact C-N 3.29Å; H528-N530 PolarHBondContact O-N 3.03Å
529	Q	49.9	Very low	70.3	Confident	147 Å²	147	101 Å²	101	69%	0.687	52%	0.516	S	S	*	.			trans	-54.8	109.4	157.8	-70	-175.1	7.4	0	0	104.1	V527 T531	V527-Q529 PolarHBondContact O-N 2.67Å; Q529-T531 PolarHBondContact O-N 3.28Å
530	N	36.1	Very low	68.7	Low	149 Å²	149	103.9 Å²	103.9	80%	0.797	53%	0.533	S	S	*	.			trans	-51.2	103.6	159.8	-82.9	-17.9	0	0	0	103.2	H528 K532	H528-N530 VanDerWaalsContact C-N 3.29Å; H528-N530 PolarHBondContact O-N 3.03Å; N530-K532 PolarHBondContact O-N 3.22Å
531	T	36.4	Very low	66.9	Low	119 Å²	119	100.1 Å²	100.1	73%	0.73	51%	0.513	S	S	*	.			trans	-48.8	105.4	159.3	37.5	0	0	0	0	103	Q529 T533	Q529-T531 PolarHBondContact O-N 3.28Å; T531-T533 PolarHBondContact O-N 3.25Å
532	K	29.7	Very low	64.7	Low	181 Å²	181	106.5 Å²	106.5	79%	0.787	54%	0.544	S	S	*	.			trans	-55.2	97.5	165.1	-76.8	-176.1	174.5	-175.5	0	103.9	N530 D534	N530-K532 PolarHBondContact O-N 3.22Å; K532-D534 PolarHBondContact O-N 2.81Å
533	T	30.9	Very low	62.1	Low	130 Å²	130	114.4 Å²	114.4	80%	0.798	59%	0.585	S	S	*	*			trans	-67.4	86.2	154.4	46.9	0	0	0	0	104.2	T531	T531-T533 PolarHBondContact O-N 3.25Å
534	D	31.4	Very low	59.1	Low	211 Å²	211	117.1 Å²	117.1	100%	1.128	61%	0.609	S	S	*	*			trans	-89.2	0	151.3	-73.8	-27.4	0	0	0	107.2	K532	K532-D534 PolarHBondContact O-N 2.81Å

Retrieved 534 of 534 residues in 528.6 ms (Link to these results)

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