A0A087Y6S9_POEFO Loading...

Dermatan sulfate epimerase

AlphaFold DB , UniProt , Accession A0A087Y6S9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 587 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	H	89.5	Confident	93.7	Very high	181 Å²	181	121 Å²	121	84%	0.838	64%	0.635	S	S	*	*				0	-48.5	0	69.8	-83.7	0	0	0	111.8	F4 Q5	H1-F4 WeakPolarHBondContact O-CB 3.46Å; H1-F4 PolarHBondContact O-N 3.03Å; H1-Q5 WeakPolarHBondContact O-CG 3.41Å; H1-Q5 PolarHBondContact O-N 3.11Å
2	S	92.7	Very high	94	Very high	55 Å²	55	123.4 Å²	123.4	39%	0.385	65%	0.646	S	S	.	*	H	α-helix	trans	-61.8	-44.7	-179.7	56.9	0	0	0	0	113.9	F4 Q5 K6	S2-F4 VanDerWaalsContact C-N 3.29Å; S2-F4 PolarHBondContact O-N 3.04Å; S2-Q5 PolarHBondContact O-N 3.4Å; S2-Q5 VanDerWaalsContact O-N 3.15Å; S2-K6 VanDerWaalsContact O-CB 3.31Å; S2-K6 WeakPolarHBondContact O-CB 3.34Å; S2-K6 WeakPolarHBondContact O-CG 3.44Å; S2-K6 PolarHBondContact O-N 3.46Å
3	S	89.7	Confident	94.1	Very high	90 Å²	90	122.7 Å²	122.7	63%	0.629	65%	0.654	S	S	*	*	H	α-helix	trans	-59.3	-40.1	174.2	168.6	0	0	0	0	111.7	Q5 K6 Y7	S3-Q5 PolarHBondContact O-N 3.28Å; S3-K6 PolarHBondContact O-N 3.21Å; S3-Y7 WeakPolarHBondContact O-CA 3.43Å; S3-Y7 WeakPolarHBondContact O-CB 3.36Å; S3-Y7 PolarHBondContact O-N 3.37Å
4	F	92.3	Very high	94.2	Very high	183 Å²	183	127.4 Å²	127.4	80%	0.803	67%	0.665	S	S	*	*	H	α-helix	trans	-63.4	-38.9	174.8	178.7	-95.7	0	0	0	112.7	H1 S2	H1-F4 WeakPolarHBondContact O-CB 3.46Å; H1-F4 PolarHBondContact O-N 3.03Å; S2-F4 VanDerWaalsContact C-N 3.29Å; S2-F4 PolarHBondContact O-N 3.04Å
5	Q	92.9	Very high	94.2	Very high	148 Å²	148	124.1 Å²	124.1	69%	0.692	66%	0.655	S	S	*	*	H	α-helix	trans	-74.7	-29.8	177.5	-71.1	172.3	-24	0	0	113.6	H1 S2 S3	H1-Q5 WeakPolarHBondContact O-CG 3.41Å; H1-Q5 PolarHBondContact O-N 3.11Å; S2-Q5 PolarHBondContact O-N 3.4Å; S2-Q5 VanDerWaalsContact O-N 3.15Å; S3-Q5 PolarHBondContact O-N 3.28Å
6	K	95.2	Very high	94.3	Very high	174 Å²	174	121.8 Å²	121.8	76%	0.757	65%	0.649	S	S	*	*	H	α-helix	trans	-101.7	-12.9	-173.7	-66.4	-177.8	178.8	-174	0	113.7	S2 S3 D8	S2-K6 VanDerWaalsContact O-CB 3.31Å; S2-K6 WeakPolarHBondContact O-CB 3.34Å; S2-K6 WeakPolarHBondContact O-CG 3.44Å; S2-K6 PolarHBondContact O-N 3.46Å; S3-K6 PolarHBondContact O-N 3.21Å; K6-D8 PolarHBondContact O-N 3.04Å
7	Y	95.8	Very high	94.2	Very high	137 Å²	137	121.4 Å²	121.4	54%	0.537	67%	0.667	S	S	.	*			trans	-66.3	121.9	176.5	174.6	-110.8	0	0	0	108.8	S3 P9	S3-Y7 WeakPolarHBondContact O-CA 3.43Å; S3-Y7 WeakPolarHBondContact O-CB 3.36Å; S3-Y7 PolarHBondContact O-N 3.37Å; Y7-P9 HydrophobicContact CD1-CB 4.33Å; Y7-P9 HydrophobicContact CE1-CB 3.73Å; Y7-P9 VanDerWaalsContact O-CD 3.26Å; Y7-P9 WeakPolarHBondContact O-CD 3.33Å
8	D	95.6	Very high	94.1	Very high	84 Å²	84	119.2 Å²	119.2	45%	0.449	65%	0.654	S	S	.	*			trans	-95.5	103.6	173.2	-173.5	-13.3	0	0	0	108.8	K6 G10 L11	K6-D8 PolarHBondContact O-N 3.04Å; D8-G10 PolarHBondContact O-N 2.76Å; D8-G10 WeakPolarHBondContact OD1-CA 3.37Å; D8-G10 PolarHBondContact OD1-N 3.29Å; D8-L11 HydrophobicContact CB-CD1 3.99Å; D8-L11 HydrophobicContact CB-CG 4.04Å; D8-L11 PolarHBondContact O-N 3.01Å
9	P	94.5	Very high	94	Very high	97 Å²	97	118.9 Å²	118.9	63%	0.63	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-13.1	177.8	29	-35.4	0	0	0	113.3	Y7 L11	Y7-P9 HydrophobicContact CD1-CB 4.33Å; Y7-P9 HydrophobicContact CE1-CB 3.73Å; Y7-P9 VanDerWaalsContact O-CD 3.26Å; Y7-P9 WeakPolarHBondContact O-CD 3.33Å; P9-L11 VanDerWaalsContact C-N 3.28Å
10	G	96.7	Very high	93.8	Very high	62 Å²	62	115.1 Å²	115.1	64%	0.639	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-18.4	173.7	0	0	0	0	0	113.3	D8 I12	D8-G10 PolarHBondContact O-N 2.76Å; D8-G10 WeakPolarHBondContact OD1-CA 3.37Å; D8-G10 PolarHBondContact OD1-N 3.29Å; G10-I12 PolarHBondContact O-N 3.45Å
11	L	96.3	Very high	93.7	Very high	120 Å²	120	113.1 Å²	113.1	63%	0.628	63%	0.627	S	S	*	*	S	Bend	trans	-89.7	103	175.8	-61.9	179.1	0	0	0	110.3	D8 P9 P13	D8-L11 HydrophobicContact CB-CD1 3.99Å; D8-L11 HydrophobicContact CB-CG 4.04Å; D8-L11 PolarHBondContact O-N 3.01Å; P9-L11 VanDerWaalsContact C-N 3.28Å; L11-P13 WeakPolarHBondContact O-CD 3.46Å
12	I	96.4	Very high	93.9	Very high	150 Å²	150	105.8 Å²	105.8	77%	0.769	60%	0.596	S	S	*	*			trans	-66.8	126.1	175.2	-58	174.7	0	0	0	108.9	G10 K14	G10-I12 PolarHBondContact O-N 3.45Å; I12-K14 PolarHBondContact O-N 3.25Å; I12-K14 VanDerWaalsContact O-N 3.08Å
13	P	96	Very high	94.1	Very high	114 Å²	114	106.8 Å²	106.8	74%	0.74	60%	0.595	S	S	*	*			trans	-58.1	116.1	178.3	-24.5	34.1	0	0	0	111.3	L11	L11-P13 WeakPolarHBondContact O-CD 3.46Å
14	K	95.8	Very high	94.4	Very high	188 Å²	188	104.3 Å²	104.3	82%	0.817	57%	0.574	S	S	*	*			trans	-126.9	125.1	176.1	-172	177.4	179	-179.9	0	108.8	I12	I12-K14 PolarHBondContact O-N 3.25Å; I12-K14 VanDerWaalsContact O-N 3.08Å
15	P	94.4	Very high	94.6	Very high	78 Å²	78	100.3 Å²	100.3	51%	0.506	56%	0.558	S	S	.	*			trans	-67.2	159.1	178.8	29.4	-35.1	0	0	0	111	F19	P15-F19 HydrophobicContact CB-CB 3.77Å; P15-F19 HydrophobicContact CB-CD1 4.08Å; P15-F19 HydrophobicContact CB-CD2 4.45Å; P15-F19 HydrophobicContact CB-CG 3.83Å; P15-F19 HydrophobicContact CG-CD1 4.4Å
16	P	94.8	Very high	94.8	Very high	87 Å²	87	95.6 Å²	95.6	57%	0.565	53%	0.534	S	S	*	.			trans	-52.4	151.1	167.4	-26.3	36.2	0	0	0	112.1	D18 F19	P16-D18 WeakPolarHBondContact CB-OD1 3.36Å; P16-D18 PolarHBondContact O-N 3.27Å; P16-D18 VanDerWaalsContact O-N 3.16Å; P16-F19 VanDerWaalsContact O-CB 3.24Å; P16-F19 WeakPolarHBondContact O-CB 3.41Å; P16-F19 PolarHBondContact O-N 2.92Å
17	A	93.4	Very high	94.9	Very high	116 Å²	116	91.2 Å²	91.2	96%	0.959	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.1	-175.8	0	0	0	0	0	113.6
18	D	91.6	Very high	94.9	Very high	81 Å²	81	89.1 Å²	89.1	43%	0.433	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	6.2	179.1	61.2	-22	0	0	0	113.6	P16 G20 T21 Q23	P16-D18 WeakPolarHBondContact CB-OD1 3.36Å; P16-D18 PolarHBondContact O-N 3.27Å; P16-D18 VanDerWaalsContact O-N 3.16Å; D18-G20 PolarHBondContact O-N 2.87Å; D18-T21 WeakPolarHBondContact O-CB 3.45Å; D18-T21 PolarHBondContact O-N 2.91Å; D18-Q23 HydrophobicContact CB-CG 4.21Å
19	F	92.8	Very high	94.9	Very high	115 Å²	115	88.1 Å²	88.1	50%	0.504	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	136.5	174.8	176.4	-102	0	0	0	111.6	P15 P16 T21 A38 P40	P15-F19 HydrophobicContact CB-CB 3.77Å; P15-F19 HydrophobicContact CB-CD1 4.08Å; P15-F19 HydrophobicContact CB-CD2 4.45Å; P15-F19 HydrophobicContact CB-CG 3.83Å; P15-F19 HydrophobicContact CG-CD1 4.4Å; P16-F19 VanDerWaalsContact O-CB 3.24Å; P16-F19 WeakPolarHBondContact O-CB 3.41Å; P16-F19 PolarHBondContact O-N 2.92Å; F19-T21 PolarHBondContact O-N 3.46Å; F19-A38 VanDerWaalsContact CE2-O 3.25Å; F19-A38 WeakPolarHBondContact CE2-O 3.43Å; F19-P40 HydrophobicContact CZ-CG 4.42Å
20	G	89.9	Confident	95	Very high	42 Å²	42	90.1 Å²	90.1	43%	0.433	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-0.7	-175.4	0	0	0	0	0	114.8	D18 L39	D18-G20 PolarHBondContact O-N 2.87Å; G20-L39 VanDerWaalsContact C-CD2 3.47Å
21	T	92.1	Very high	95	Very high	73 Å²	73	87.2 Å²	87.2	45%	0.448	47%	0.47	S	S	.	.	S	Bend	trans	-106.7	129.5	173.7	-53.5	0	0	0	0	110.4	D18 F19 Q23	D18-T21 WeakPolarHBondContact O-CB 3.45Å; D18-T21 PolarHBondContact O-N 2.91Å; F19-T21 PolarHBondContact O-N 3.46Å; T21-Q23 PolarHBondContact O-N 3.28Å
22	S	93.8	Very high	95.1	Very high	27 Å²	27	82 Å²	82	19%	0.189	44%	0.443	C	S	.	.			trans	-67.6	103.7	179.8	-46.6	0	0	0	0	111	Y35 L39 K163	S22-Y35 VanDerWaalsContact CB-CZ 3.4Å; S22-Y35 VanDerWaalsContact CB-OH 3.3Å; S22-Y35 WeakPolarHBondContact CB-OH 3.38Å; S22-L39 VanDerWaalsContact OG-CD1 3.3Å; S22-L39 WeakPolarHBondContact OG-CD1 3.32Å; S22-K163 PolarHBondContact O-NZ 2.92Å
23	Q	95.4	Very high	95.2	Very high	77 Å²	77	74.9 Å²	74.9	36%	0.36	41%	0.407	S	S	.	.			trans	-98	147.9	176.4	-62	-57	-16.1	0	0	111.7	D18 T21 Y35 G36	D18-Q23 HydrophobicContact CB-CG 4.21Å; T21-Q23 PolarHBondContact O-N 3.28Å; Q23-Y35 VanDerWaalsContact O-CA 3.26Å; Q23-Y35 WeakPolarHBondContact O-CA 3.33Å; Q23-Y35 WeakPolarHBondContact O-CD2 3.24Å; Q23-G36 PolarHBondContact O-N 3.4Å
24	L	97.1	Very high	95.4	Very high	37 Å²	37	70.7 Å²	70.7	19%	0.194	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.2	167.9	-175.8	72.4	0	0	0	107.8	V33 T34 Y35 A161 K163 V168	L24-V33 HydrophobicContact CD1-CG1 3.52Å; L24-V33 HydrophobicContact CG-CG1 4.32Å; L24-T34 CarbonylContact C-O 3.6Å; L24-T34 WeakPolarHBondContact CA-O 3.37Å; L24-Y35 HydrophobicContact CB-CD2 4.22Å; L24-Y35 HydrophobicContact CD1-CD2 4.43Å; L24-A161 HydrophobicContact CD2-CB 4.29Å; L24-K163 HydrophobicContact CB-CB 4.09Å; L24-K163 HydrophobicContact CD2-CB 4Å; L24-V168 HydrophobicContact CD1-CG1 3.71Å; L24-V168 HydrophobicContact CD2-CG1 4.47Å
25	H	97.1	Very high	95.5	Very high	100 Å²	100	62.4 Å²	62.4	46%	0.463	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.7	177.5	-169.1	80.9	0	0	0	110.2	F27 V33 T34	H25-F27 AromaticContact CD2-CD1 3.76Å; H25-F27 AromaticContact CD2-CD2 3.81Å; H25-F27 AromaticContact CD2-CE1 3.5Å; H25-F27 VanDerWaalsContact CD2-CE1 3.5Å; H25-F27 WeakPolarHBondContact CD2-CE1 3.18Å; H25-F27 AromaticContact CD2-CE2 3.56Å; H25-F27 AromaticContact CD2-CG 3.91Å; H25-F27 AromaticContact CD2-CZ 3.4Å; H25-F27 WeakPolarHBondContact CD2-CZ 3.28Å; H25-F27 AromaticContact NE2-CD1 3.63Å; H25-F27 AromaticContact NE2-CE1 3.48Å; H25-F27 WeakPolarHBondContact NE2-CE1 3.36Å; H25-F27 AromaticContact NE2-CZ 3.88Å; H25-V33 CarbonylContact O-C 3.56Å; H25-V33 WeakPolarHBondContact O-CA 3.11Å; H25-T34 PolarHBondContact N-O 2.9Å; H25-T34 PolarHBondContact O-N 3.07Å
26	Y	96.9	Very high	95.6	Very high	48 Å²	48	58.9 Å²	58.9	19%	0.188	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.4	175.7	174.2	-128.6	0	0	0	109	E28 V32 V33 V158 V360	Y26-E28 HydrophobicContact CD1-CB 3.84Å; Y26-E28 VanDerWaalsContact CE1-CA 3.47Å; Y26-E28 HydrophobicContact CE1-CB 3.36Å; Y26-E28 PolarHBondContact O-N 3.45Å; Y26-V32 WeakPolarHBondContact CD2-O 3.37Å; Y26-V33 HydrophobicContact CD2-CG2 3.63Å; Y26-V33 HydrophobicContact CE2-CG2 4.3Å; Y26-V33 HydrophobicContact CG-CG2 4.39Å; Y26-V158 HydrophobicContact CD2-CG2 4.47Å; Y26-V158 HydrophobicContact CE2-CB 3.8Å; Y26-V158 HydrophobicContact CE2-CG1 4.19Å; Y26-V158 HydrophobicContact CE2-CG2 3.74Å; Y26-V360 HydrophobicContact CD1-CG1 4.02Å; Y26-V360 HydrophobicContact CD1-CG2 4.07Å; Y26-V360 HydrophobicContact CE1-CB 4.3Å; Y26-V360 HydrophobicContact CE1-CG1 3.3Å; Y26-V360 HydrophobicContact CE1-CG2 3.99Å
27	F	97.1	Very high	95.4	Very high	83 Å²	83	56.5 Å²	56.5	36%	0.364	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	92.7	172	-61.2	-82.8	0	0	0	108	H25 D29 W30 G31 V32 T34	H25-F27 AromaticContact CD2-CD1 3.76Å; H25-F27 AromaticContact CD2-CD2 3.81Å; H25-F27 AromaticContact CD2-CE1 3.5Å; H25-F27 VanDerWaalsContact CD2-CE1 3.5Å; H25-F27 WeakPolarHBondContact CD2-CE1 3.18Å; H25-F27 AromaticContact CD2-CE2 3.56Å; H25-F27 AromaticContact CD2-CG 3.91Å; H25-F27 AromaticContact CD2-CZ 3.4Å; H25-F27 WeakPolarHBondContact CD2-CZ 3.28Å; H25-F27 AromaticContact NE2-CD1 3.63Å; H25-F27 AromaticContact NE2-CE1 3.48Å; H25-F27 WeakPolarHBondContact NE2-CE1 3.36Å; H25-F27 AromaticContact NE2-CZ 3.88Å; F27-D29 VanDerWaalsContact C-N 3.27Å; F27-D29 PolarHBondContact O-N 2.89Å; F27-W30 HydrophobicContact CB-CB 3.98Å; F27-W30 PolarHBondContact O-N 2.99Å; F27-G31 PolarHBondContact O-N 3.08Å; F27-V32 HydrophobicContact CB-CB 4.49Å; F27-V32 HydrophobicContact CD2-CB 4.22Å; F27-V32 HydrophobicContact CD2-CG1 4.27Å; F27-V32 WeakPolarHBondContact CD2-O 3.28Å; F27-V32 PolarHBondContact N-O 2.78Å; F27-V32 PolarHBondContact O-N 3.05Å; F27-T34 HydrophobicContact CE2-CG2 4.08Å
28	E	94.8	Very high	95.2	Very high	93 Å²	93	54.9 Å²	54.9	44%	0.435	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.7	-168.8	74.6	-81.1	-179	0	0	114.5	Y26 R58	Y26-E28 HydrophobicContact CD1-CB 3.84Å; Y26-E28 VanDerWaalsContact CE1-CA 3.47Å; Y26-E28 HydrophobicContact CE1-CB 3.36Å; Y26-E28 PolarHBondContact O-N 3.45Å; E28-R58 VanDerWaalsContact CG-NH2 3.28Å; E28-R58 IonicContact OE1-NH2 3.14Å
29	D	95.5	Very high	95.3	Very high	62 Å²	62	52.5 Å²	52.5	33%	0.332	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-45.8	173.1	-167.9	71.1	0	0	0	111.3	F27 G57 R58 A59	F27-D29 VanDerWaalsContact C-N 3.27Å; F27-D29 PolarHBondContact O-N 2.89Å; D29-G57 CarbonylContact O-C 3.58Å; D29-G57 VanDerWaalsContact O-CA 3.23Å; D29-G57 WeakPolarHBondContact O-CA 3.39Å; D29-R58 PolarHBondContact O-N 3.27Å; D29-R58 WeakPolarHBondContact OD1-CB 3.17Å; D29-A59 VanDerWaalsContact OD1-CB 3.23Å; D29-A59 WeakPolarHBondContact OD1-CB 3.36Å; D29-A59 PolarHBondContact OD1-N 3.41Å
30	W	97.3	Very high	95.1	Very high	139 Å²	139	50.5 Å²	50.5	53%	0.527	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-26.5	-178.2	-164.3	8.4	0	0	0	112.8	F27 V32	F27-W30 HydrophobicContact CB-CB 3.98Å; F27-W30 PolarHBondContact O-N 2.99Å; W30-V32 HydrophobicContact CB-CG2 4.26Å; W30-V32 HydrophobicContact CD2-CB 4.11Å; W30-V32 HydrophobicContact CD2-CG2 3.49Å; W30-V32 VanDerWaalsContact CD2-CG2 3.49Å; W30-V32 HydrophobicContact CE3-CB 4.05Å; W30-V32 HydrophobicContact CE3-CG2 3.87Å; W30-V32 HydrophobicContact CG-CB 4.33Å; W30-V32 HydrophobicContact CG-CG2 3.66Å; W30-V32 HydrophobicContact CZ2-CG2 4.37Å; W30-V32 HydrophobicContact CZ3-CG2 4.45Å
31	G	97.3	Very high	94.9	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.01	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	34.5	-172	0	0	0	0	0	112.8	F27 K51 S52	F27-G31 PolarHBondContact O-N 3.08Å; G31-K51 WeakPolarHBondContact O-CA 3.4Å; G31-S52 CarbonylContact O-C 3.52Å; G31-S52 PolarHBondContact O-N 3.39Å
32	V	98.6	Very high	94.6	Very high	12 Å²	12	51.4 Å²	51.4	7%	0.073	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.3	-179	175.2	0	0	0	0	110.5	Y26 F27 W30 T34 F50 K51	Y26-V32 WeakPolarHBondContact CD2-O 3.37Å; F27-V32 HydrophobicContact CB-CB 4.49Å; F27-V32 HydrophobicContact CD2-CB 4.22Å; F27-V32 HydrophobicContact CD2-CG1 4.27Å; F27-V32 WeakPolarHBondContact CD2-O 3.28Å; F27-V32 PolarHBondContact N-O 2.78Å; F27-V32 PolarHBondContact O-N 3.05Å; W30-V32 HydrophobicContact CB-CG2 4.26Å; W30-V32 HydrophobicContact CD2-CB 4.11Å; W30-V32 HydrophobicContact CD2-CG2 3.49Å; W30-V32 VanDerWaalsContact CD2-CG2 3.49Å; W30-V32 HydrophobicContact CE3-CB 4.05Å; W30-V32 HydrophobicContact CE3-CG2 3.87Å; W30-V32 HydrophobicContact CG-CB 4.33Å; W30-V32 HydrophobicContact CG-CG2 3.66Å; W30-V32 HydrophobicContact CZ2-CG2 4.37Å; W30-V32 HydrophobicContact CZ3-CG2 4.45Å; V32-T34 HydrophobicContact CG1-CG2 4.04Å; V32-F50 CarbonylContact C-O 3.57Å; V32-F50 WeakPolarHBondContact CA-O 3.43Å; V32-K51 HydrophobicContact CG2-CB 4.09Å; V32-K51 HydrophobicContact CG2-CD 4.3Å; V32-K51 HydrophobicContact CG2-CG 3.82Å
33	V	98.6	Very high	94.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.1	169.9	-176.1	0	0	0	0	108.6	L24 H25 Y26 S49 F50 V158 A161 I170	L24-V33 HydrophobicContact CD1-CG1 3.52Å; L24-V33 HydrophobicContact CG-CG1 4.32Å; H25-V33 CarbonylContact O-C 3.56Å; H25-V33 WeakPolarHBondContact O-CA 3.11Å; Y26-V33 HydrophobicContact CD2-CG2 3.63Å; Y26-V33 HydrophobicContact CE2-CG2 4.3Å; Y26-V33 HydrophobicContact CG-CG2 4.39Å; V33-S49 CarbonylContact O-C 3.47Å; V33-S49 WeakPolarHBondContact O-CA 3.35Å; V33-F50 HydrophobicContact CB-CB 4.4Å; V33-F50 PolarHBondContact N-O 2.81Å; V33-F50 PolarHBondContact O-N 3.07Å; V33-V158 HydrophobicContact CG2-CG1 3.76Å; V33-V158 HydrophobicContact CG2-CG2 4.03Å; V33-A161 HydrophobicContact CG1-CB 3.92Å; V33-A161 HydrophobicContact CG2-CB 3.72Å; V33-I170 HydrophobicContact CB-CD1 4.1Å; V33-I170 HydrophobicContact CG1-CD1 3.61Å; V33-I170 HydrophobicContact CG1-CG1 4.07Å; V33-I170 HydrophobicContact CG2-CG2 4.23Å
34	T	98.5	Very high	94	Very high	25 Å²	25	55.1 Å²	55.1	15%	0.153	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.1	172	60.7	0	0	0	0	110.5	L24 H25 F27 V32 F47 L48	L24-T34 CarbonylContact C-O 3.6Å; L24-T34 WeakPolarHBondContact CA-O 3.37Å; H25-T34 PolarHBondContact N-O 2.9Å; H25-T34 PolarHBondContact O-N 3.07Å; F27-T34 HydrophobicContact CE2-CG2 4.08Å; V32-T34 HydrophobicContact CG1-CG2 4.04Å; T34-F47 HydrophobicContact CG2-CE2 4.41Å; T34-F47 HydrophobicContact CG2-CZ 4.21Å; T34-L48 CarbonylContact C-O 3.54Å; T34-L48 WeakPolarHBondContact CA-O 3.42Å
35	Y	98.3	Very high	93.9	Very high	14 Å²	14	55 Å²	55	6%	0.055	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136	173	174.1	-102	0	0	0	110.3	S22 Q23 L24 F47 L48 K163 V168 L193	S22-Y35 VanDerWaalsContact CB-CZ 3.4Å; S22-Y35 VanDerWaalsContact CB-OH 3.3Å; S22-Y35 WeakPolarHBondContact CB-OH 3.38Å; Q23-Y35 VanDerWaalsContact O-CA 3.26Å; Q23-Y35 WeakPolarHBondContact O-CA 3.33Å; Q23-Y35 WeakPolarHBondContact O-CD2 3.24Å; L24-Y35 HydrophobicContact CB-CD2 4.22Å; L24-Y35 HydrophobicContact CD1-CD2 4.43Å; Y35-F47 WeakPolarHBondContact O-CA 2.93Å; Y35-F47 WeakPolarHBondContact O-CD2 3.35Å; Y35-L48 PolarHBondContact N-O 3.29Å; Y35-L48 PolarHBondContact O-N 3.22Å; Y35-K163 HydrophobicContact CE2-CD 4.11Å; Y35-V168 HydrophobicContact CD1-CG2 4.08Å; Y35-V168 HydrophobicContact CD2-CG2 3.54Å; Y35-V168 HydrophobicContact CE1-CG2 4.14Å; Y35-V168 HydrophobicContact CE2-CG2 3.61Å; Y35-V168 HydrophobicContact CG-CG2 3.76Å; Y35-L193 HydrophobicContact CD1-CD2 3.65Å; Y35-L193 HydrophobicContact CE1-CD2 3.44Å; Y35-L193 VanDerWaalsContact CE1-CD2 3.44Å
36	G	96.1	Very high	93.9	Very high	4 Å²	4	50.3 Å²	50.3	4%	0.041	30%	0.296	C	S	.	.	S	Bend	trans	73.8	29.6	177.4	0	0	0	0	0	114.1	Q23 L39	Q23-G36 PolarHBondContact O-N 3.4Å; G36-L39 WeakPolarHBondContact O-CD1 2.94Å; G36-L39 WeakPolarHBondContact O-CG 3.44Å
37	G	91.3	Very high	93.9	Very high	37 Å²	37	51.2 Å²	51.2	38%	0.381	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	147.2	171.6	0	0	0	0	0	112.2	L39	G37-L39 VanDerWaalsContact C-N 3.25Å; G37-L39 PolarHBondContact O-N 3.35Å
38	A	90.2	Very high	94	Very high	82 Å²	82	47.3 Å²	47.3	68%	0.678	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	29.8	176.6	0	0	0	0	0	115.4	F19	F19-A38 VanDerWaalsContact CE2-O 3.25Å; F19-A38 WeakPolarHBondContact CE2-O 3.43Å
39	L	91.8	Very high	94.2	Very high	32 Å²	32	43.7 Å²	43.7	17%	0.168	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-83.4	146.9	170.8	-61.7	177.6	0	0	0	111.2	G20 S22 G36 G37	G20-L39 VanDerWaalsContact C-CD2 3.47Å; S22-L39 VanDerWaalsContact OG-CD1 3.3Å; S22-L39 WeakPolarHBondContact OG-CD1 3.32Å; G36-L39 WeakPolarHBondContact O-CD1 2.94Å; G36-L39 WeakPolarHBondContact O-CG 3.44Å; G37-L39 VanDerWaalsContact C-N 3.25Å; G37-L39 PolarHBondContact O-N 3.35Å
40	P	90	Very high	94.4	Very high	73 Å²	73	40.8 Å²	40.8	47%	0.474	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-55.6	142.8	163.1	-21.5	33.1	0	0	0	110.7	F19 S45	F19-P40 HydrophobicContact CZ-CG 4.42Å; P40-S45 WeakPolarHBondContact O-CB 3.42Å; P40-S45 PolarHBondContact O-OG 2.87Å
41	S	86	Confident	94.4	Very high	104 Å²	104	35.1 Å²	35.1	73%	0.727	23%	0.233	S	C	*	.	S	Bend	trans	-68.2	134.6	172.7	-170.5	0	0	0	0	109.7
42	G	84.7	Confident	94.5	Very high	30 Å²	30	35.1 Å²	35.1	31%	0.309	23%	0.233	S	C	.	.	S	Bend	trans	164.5	172.4	-177.3	0	0	0	0	0	113.1	N44 S45 N96	G42-N44 PolarHBondContact O-N 3.38Å; G42-S45 WeakPolarHBondContact O-CB 3.4Å; G42-S45 PolarHBondContact O-N 2.83Å; G42-N96 CarbonylContact O-C 3.43Å; G42-N96 VanDerWaalsContact O-CA 3.28Å; G42-N96 WeakPolarHBondContact O-CA 3.2Å
43	T	87.8	Confident	94.4	Very high	113 Å²	113	34.8 Å²	34.8	69%	0.693	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	133.7	179	-49.7	0	0	0	0	111	S45	T43-S45 PolarHBondContact O-N 3.33Å; T43-S45 VanDerWaalsContact O-N 3.07Å
44	N	89.5	Confident	94.4	Very high	69 Å²	69	37 Å²	37	37%	0.369	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	7.6	-177.4	-61.4	-25.5	0	0	0	115.8	G42 S46 N96 H195 P196 Q197	G42-N44 PolarHBondContact O-N 3.38Å; N44-S46 PolarHBondContact O-N 3.48Å; N44-N96 PolarHBondContact N-OD1 3.37Å; N44-H195 PolarHBondContact OD1-CE1 3.07Å; N44-P196 HydrophobicContact CB-CB 3.92Å; N44-P196 HydrophobicContact CB-CG 4.1Å; N44-P196 WeakPolarHBondContact O-CB 3.1Å; N44-Q197 PolarHBondContact OD1-NE2 3.5Å
45	S	94.1	Very high	94.3	Very high	33 Å²	33	36 Å²	36	23%	0.231	24%	0.235	C	C	.	.			trans	-91.2	86.6	170.6	-61	0	0	0	0	109.1	P40 G42 T43 N96 G97	P40-S45 WeakPolarHBondContact O-CB 3.42Å; P40-S45 PolarHBondContact O-OG 2.87Å; G42-S45 WeakPolarHBondContact O-CB 3.4Å; G42-S45 PolarHBondContact O-N 2.83Å; T43-S45 PolarHBondContact O-N 3.33Å; T43-S45 VanDerWaalsContact O-N 3.07Å; S45-N96 CarbonylContact O-C 3.4Å; S45-N96 WeakPolarHBondContact O-CA 3.31Å; S45-G97 PolarHBondContact O-N 3.03Å
46	S	96.9	Very high	94.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	24%	0.24	C	C	.	.			trans	-107.6	142.1	-171	-58	0	0	0	0	112.5	N44 A94 P95 N96 P196	N44-S46 PolarHBondContact O-N 3.48Å; S46-A94 WeakPolarHBondContact CA-O 3.4Å; S46-P95 WeakPolarHBondContact OG-CA 3.25Å; S46-N96 PolarHBondContact OG-N 2.93Å; S46-N96 VanDerWaalsContact OG-N 3.14Å; S46-P196 WeakPolarHBondContact CB-O 3.38Å; S46-P196 VanDerWaalsContact OG-C 3.29Å; S46-P196 PolarHBondContact OG-O 3.04Å
47	F	98.4	Very high	94.3	Very high	67 Å²	67	36.1 Å²	36.1	29%	0.294	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.8	172.5	178.8	-95.4	0	0	0	110.7	T34 Y35 F93 A94	T34-F47 HydrophobicContact CG2-CE2 4.41Å; T34-F47 HydrophobicContact CG2-CZ 4.21Å; Y35-F47 WeakPolarHBondContact O-CA 2.93Å; Y35-F47 WeakPolarHBondContact O-CD2 3.35Å; F47-F93 WeakPolarHBondContact O-CD2 3.35Å; F47-A94 HydrophobicContact CB-CB 4.24Å; F47-A94 PolarHBondContact N-O 3.01Å; F47-A94 PolarHBondContact O-N 3.34Å
48	L	98.8	Very high	94.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.5	174.1	174	65.3	0	0	0	108.3	T34 Y35 F91 T92 F93 I170 L191 L193 L199	T34-L48 CarbonylContact C-O 3.54Å; T34-L48 WeakPolarHBondContact CA-O 3.42Å; Y35-L48 PolarHBondContact N-O 3.29Å; Y35-L48 PolarHBondContact O-N 3.22Å; L48-F91 HydrophobicContact CD1-CD2 4.36Å; L48-T92 WeakPolarHBondContact CA-O 3.41Å; L48-T92 VanDerWaalsContact CD1-O 3.28Å; L48-T92 WeakPolarHBondContact CD1-O 3.5Å; L48-F93 HydrophobicContact CB-CD2 4.49Å; L48-F93 HydrophobicContact CD1-CB 4.42Å; L48-F93 HydrophobicContact CD1-CD2 4.31Å; L48-I170 HydrophobicContact CD2-CD1 4.14Å; L48-L191 HydrophobicContact CD1-CD1 4.2Å; L48-L193 HydrophobicContact CD2-CB 4.24Å; L48-L199 HydrophobicContact CD1-CD1 4.36Å; L48-L199 HydrophobicContact CD1-CD2 3.89Å; L48-L199 HydrophobicContact CD2-CD1 4.26Å
49	S	98.8	Very high	94.7	Very high	18 Å²	18	33.3 Å²	33.3	13%	0.126	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.6	168	76.6	0	0	0	0	111.4	V33 F91 T92	V33-S49 CarbonylContact O-C 3.47Å; V33-S49 WeakPolarHBondContact O-CA 3.35Å; S49-F91 CarbonylContact O-C 3.49Å; S49-F91 WeakPolarHBondContact O-CA 3.46Å; S49-F91 WeakPolarHBondContact O-CB 3.18Å; S49-T92 PolarHBondContact N-O 3.19Å; S49-T92 PolarHBondContact O-N 3.07Å; S49-T92 PolarHBondContact OG-N 3.16Å; S49-T92 PolarHBondContact OG-OG1 3.14Å
50	F	98.9	Very high	94.9	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	136.3	173.7	179.5	-100.2	0	0	0	109.5	V32 V33 N89 S90 F91 V158 I170 R189 L191	V32-F50 CarbonylContact C-O 3.57Å; V32-F50 WeakPolarHBondContact CA-O 3.43Å; V33-F50 HydrophobicContact CB-CB 4.4Å; V33-F50 PolarHBondContact N-O 2.81Å; V33-F50 PolarHBondContact O-N 3.07Å; F50-N89 HydrophobicContact CE2-CB 4.36Å; F50-N89 HydrophobicContact CZ-CB 4.25Å; F50-S90 CarbonylContact C-O 3.54Å; F50-S90 WeakPolarHBondContact CA-O 3.49Å; F50-S90 VanDerWaalsContact CD2-O 3.26Å; F50-S90 WeakPolarHBondContact CD2-O 3.48Å; F50-F91 HydrophobicContact CD2-CB 4.09Å; F50-V158 HydrophobicContact CD1-CG2 4.12Å; F50-V158 HydrophobicContact CE1-CG2 4.17Å; F50-I170 HydrophobicContact CB-CD1 4.14Å; F50-I170 HydrophobicContact CB-CG2 4Å; F50-I170 HydrophobicContact CD1-CG2 3.48Å; F50-I170 VanDerWaalsContact CD1-CG2 3.48Å; F50-I170 HydrophobicContact CE1-CG2 4.09Å; F50-I170 HydrophobicContact CG-CG2 3.76Å; F50-R189 HydrophobicContact CE2-CB 4.24Å; F50-R189 HydrophobicContact CE2-CG 4.01Å; F50-R189 HydrophobicContact CZ-CB 4.46Å; F50-L191 HydrophobicContact CB-CD1 3.97Å; F50-L191 HydrophobicContact CD2-CD1 3.56Å; F50-L191 HydrophobicContact CD2-CG 4.32Å; F50-L191 HydrophobicContact CE2-CD1 4.43Å; F50-L191 HydrophobicContact CG-CD1 4.08Å
51	K	98.8	Very high	95.3	Very high	20 Å²	20	31.2 Å²	31.2	9%	0.087	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.1	177.1	-176.4	-178.3	-178.7	-151.9	0	110.3	G31 V32 E84 D87 N89 S90	G31-K51 WeakPolarHBondContact O-CA 3.4Å; V32-K51 HydrophobicContact CG2-CB 4.09Å; V32-K51 HydrophobicContact CG2-CD 4.3Å; V32-K51 HydrophobicContact CG2-CG 3.82Å; K51-E84 IonicContact NZ-OE2 3.51Å; K51-D87 WeakPolarHBondContact CD-OD2 3.4Å; K51-D87 WeakPolarHBondContact CE-OD1 3.37Å; K51-D87 IonicContact NZ-OD1 3.6Å; K51-D87 PolarHBondContact NZ-OD1 2.86Å; K51-D87 IonicContact NZ-OD2 3.46Å; K51-D87 PolarHBondContact NZ-OD2 3.32Å; K51-N89 CarbonylContact O-C 3.6Å; K51-N89 WeakPolarHBondContact O-CA 3.41Å; K51-N89 PolarHBondContact O-N 3.47Å; K51-S90 PolarHBondContact N-O 2.92Å; K51-S90 PolarHBondContact O-N 2.78Å
52	S	98.4	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.			trans	-159.1	97.9	166.8	-161.9	0	0	0	0	108.4	G31 N89 G156 R157 V158 E173	G31-S52 CarbonylContact O-C 3.52Å; G31-S52 PolarHBondContact O-N 3.39Å; S52-N89 VanDerWaalsContact CB-OD1 3.27Å; S52-N89 WeakPolarHBondContact CB-OD1 3.47Å; S52-N89 PolarHBondContact OG-OD1 2.85Å; S52-G156 WeakPolarHBondContact OG-CA 3.39Å; S52-R157 CarbonylContact O-C 3.51Å; S52-R157 VanDerWaalsContact O-C 3.26Å; S52-R157 VanDerWaalsContact O-CA 3.26Å; S52-R157 WeakPolarHBondContact O-CA 3.44Å; S52-R157 PolarHBondContact O-N 2.99Å; S52-R157 PolarHBondContact OG-N 2.95Å; S52-V158 WeakPolarHBondContact O-CG2 3.41Å; S52-V158 PolarHBondContact O-N 3.44Å; S52-E173 PolarHBondContact OG-O 3.44Å
53	G	97.4	Very high	96.3	Very high	5 Å²	5	26.3 Å²	26.3	5%	0.052	15%	0.15	C	C	.	.			trans	-148.5	177.4	-169.1	0	0	0	0	0	113.8	Q88 G156	G53-Q88 VanDerWaalsContact O-CD 3.31Å; G53-Q88 PolarHBondContact O-NE2 3.32Å; G53-Q88 PolarHBondContact O-OE1 3.38Å; G53-G156 CarbonylContact C-O 3.55Å; G53-G156 VanDerWaalsContact C-O 3.26Å; G53-G156 WeakPolarHBondContact CA-O 3.15Å; G53-G156 PolarHBondContact O-N 3.44Å
54	K	97.4	Very high	96.7	Very high	48 Å²	48	21.9 Å²	21.9	21%	0.209	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-75.3	142	177.4	-68.5	178	174	-166.3	0	110.8	G56 G57 R58 F61 D62 Q155	K54-G56 PolarHBondContact O-N 3.25Å; K54-G57 WeakPolarHBondContact O-CA 3.37Å; K54-G57 PolarHBondContact O-N 2.81Å; K54-R58 HydrophobicContact CD-CB 4.35Å; K54-R58 HydrophobicContact CD-CG 4.3Å; K54-F61 HydrophobicContact CB-CB 3.71Å; K54-F61 HydrophobicContact CB-CD1 4.31Å; K54-F61 HydrophobicContact CB-CD2 3.83Å; K54-F61 HydrophobicContact CB-CG 3.7Å; K54-F61 HydrophobicContact CD-CB 3.97Å; K54-F61 HydrophobicContact CD-CD1 3.59Å; K54-F61 HydrophobicContact CD-CE1 4.2Å; K54-F61 HydrophobicContact CD-CG 3.81Å; K54-F61 HydrophobicContact CG-CB 4.37Å; K54-F61 HydrophobicContact CG-CD1 4.16Å; K54-F61 HydrophobicContact CG-CD2 4.38Å; K54-F61 HydrophobicContact CG-CG 4.06Å; K54-D62 IonicContact NZ-OD1 3.63Å; K54-D62 PolarHBondContact NZ-OD1 3.33Å; K54-D62 IonicContact NZ-OD2 3.11Å; K54-Q155 HydrophobicContact CB-CB 4.43Å; K54-Q155 HydrophobicContact CG-CB 3.95Å
55	L	97.8	Very high	97	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	133.7	172.1	-178.1	67.3	0	0	0	110.8	G57 F61 W76 A81 L144 A151 A154	L55-G57 PolarHBondContact O-N 2.91Å; L55-F61 HydrophobicContact CB-CD2 4.22Å; L55-F61 WeakPolarHBondContact O-CB 3.13Å; L55-W76 HydrophobicContact CB-CH2 4.24Å; L55-W76 HydrophobicContact CB-CZ2 4.38Å; L55-W76 HydrophobicContact CD2-CH2 3.96Å; L55-W76 HydrophobicContact CD2-CZ2 3.82Å; L55-W76 HydrophobicContact CG-CH2 3.83Å; L55-W76 HydrophobicContact CG-CZ2 4.14Å; L55-W76 WeakPolarHBondContact O-CH2 3.47Å; L55-A81 HydrophobicContact CD1-CB 3.85Å; L55-A81 HydrophobicContact CG-CB 4.11Å; L55-L144 HydrophobicContact CD1-CD2 3.75Å; L55-A151 WeakPolarHBondContact CD2-O 3.38Å; L55-A154 WeakPolarHBondContact CB-O 3.38Å; L55-A154 PolarHBondContact N-O 2.64Å
56	G	96.2	Very high	97.1	Very high	16 Å²	16	24.7 Å²	24.7	17%	0.165	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-0.5	-175.9	0	0	0	0	0	114.6	K54 I60 E84	K54-G56 PolarHBondContact O-N 3.25Å; G56-I60 WeakPolarHBondContact O-CB 3.47Å; G56-I60 VanDerWaalsContact O-CD1 3.3Å; G56-I60 WeakPolarHBondContact O-CD1 3.36Å; G56-I60 WeakPolarHBondContact O-CG1 3.39Å; G56-E84 WeakPolarHBondContact CA-OE1 3.37Å; G56-E84 PolarHBondContact N-OE1 3.26Å
57	G	96.6	Very high	97	Very high	4 Å²	4	28.3 Å²	28.3	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	78.8	156.4	-164.4	0	0	0	0	0	112.3	D29 K54 L55 A59 I60 F61	D29-G57 CarbonylContact O-C 3.58Å; D29-G57 VanDerWaalsContact O-CA 3.23Å; D29-G57 WeakPolarHBondContact O-CA 3.39Å; K54-G57 WeakPolarHBondContact O-CA 3.37Å; K54-G57 PolarHBondContact O-N 2.81Å; L55-G57 PolarHBondContact O-N 2.91Å; G57-A59 VanDerWaalsContact C-N 3.29Å; G57-A59 PolarHBondContact O-N 2.77Å; G57-I60 PolarHBondContact O-N 2.96Å; G57-F61 WeakPolarHBondContact O-CB 3.16Å; G57-F61 PolarHBondContact O-N 2.9Å
58	R	95.4	Very high	96.9	Very high	26 Å²	26	26.4 Å²	26.4	10%	0.098	14%	0.144	C	C	.	.	H	α-helix	trans	-54.9	-42.9	-174.3	179.9	-176.4	64.8	-174.2	1.2	112	E28 D29 K54 F61 D62 S363	E28-R58 VanDerWaalsContact CG-NH2 3.28Å; E28-R58 IonicContact OE1-NH2 3.14Å; D29-R58 PolarHBondContact O-N 3.27Å; D29-R58 WeakPolarHBondContact OD1-CB 3.17Å; K54-R58 HydrophobicContact CD-CB 4.35Å; K54-R58 HydrophobicContact CD-CG 4.3Å; R58-F61 PolarHBondContact O-N 3.42Å; R58-D62 WeakPolarHBondContact CG-OD2 3.45Å; R58-D62 WeakPolarHBondContact O-CB 3.04Å; R58-D62 PolarHBondContact O-N 2.96Å; R58-S363 PolarHBondContact NH1-O 2.89Å; R58-S363 PolarHBondContact NH1-OG 2.88Å; R58-S363 VanDerWaalsContact NH1-OG 3.12Å
59	A	95.3	Very high	96.8	Very high	35 Å²	35	28.2 Å²	28.2	29%	0.289	15%	0.151	S	C	.	.	H	α-helix	trans	-58.9	-52.3	179.9	0	0	0	0	0	111.7	D29 G57 I63	D29-A59 VanDerWaalsContact OD1-CB 3.23Å; D29-A59 WeakPolarHBondContact OD1-CB 3.36Å; D29-A59 PolarHBondContact OD1-N 3.41Å; G57-A59 VanDerWaalsContact C-N 3.29Å; G57-A59 PolarHBondContact O-N 2.77Å; A59-I63 WeakPolarHBondContact O-CB 3.25Å; A59-I63 WeakPolarHBondContact O-CD1 3.4Å; A59-I63 WeakPolarHBondContact O-CG1 3.22Å; A59-I63 PolarHBondContact O-N 2.87Å
60	I	96.8	Very high	96.6	Very high	50 Å²	50	34 Å²	34	26%	0.256	17%	0.174	S	C	.	.	H	α-helix	trans	-65.3	-48	-179.8	-63.9	-175.2	0	0	0	110.2	G56 G57 D62 I63 V64 W76 F79	G56-I60 WeakPolarHBondContact O-CB 3.47Å; G56-I60 VanDerWaalsContact O-CD1 3.3Å; G56-I60 WeakPolarHBondContact O-CD1 3.36Å; G56-I60 WeakPolarHBondContact O-CG1 3.39Å; G57-I60 PolarHBondContact O-N 2.96Å; I60-D62 VanDerWaalsContact C-N 3.35Å; I60-D62 PolarHBondContact O-N 3.12Å; I60-I63 PolarHBondContact O-N 3.32Å; I60-V64 HydrophobicContact CG2-CG2 4.47Å; I60-V64 WeakPolarHBondContact O-CG2 3.49Å; I60-V64 PolarHBondContact O-N 3.04Å; I60-W76 HydrophobicContact CG2-CH2 4.04Å; I60-W76 HydrophobicContact CG2-CZ3 3.7Å; I60-F79 HydrophobicContact CB-CD1 4.49Å; I60-F79 HydrophobicContact CD1-CD1 3.82Å; I60-F79 HydrophobicContact CD1-CE1 4.2Å; I60-F79 HydrophobicContact CG1-CD1 4.04Å; I60-F79 HydrophobicContact CG1-CE1 4Å; I60-F79 HydrophobicContact CG2-CB 3.93Å; I60-F79 HydrophobicContact CG2-CD1 3.74Å; I60-F79 HydrophobicContact CG2-CD2 3.73Å; I60-F79 HydrophobicContact CG2-CE1 4.13Å; I60-F79 HydrophobicContact CG2-CE2 4.11Å; I60-F79 HydrophobicContact CG2-CG 3.52Å; I60-F79 HydrophobicContact CG2-CZ 4.3Å
61	F	96.8	Very high	96.3	Very high	11 Å²	11	39.6 Å²	39.6	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-56	-50.4	179.4	-166.4	-83.8	0	0	0	111.1	K54 L55 G57 R58 I63 V64 H65 W76 Q155	K54-F61 HydrophobicContact CB-CB 3.71Å; K54-F61 HydrophobicContact CB-CD1 4.31Å; K54-F61 HydrophobicContact CB-CD2 3.83Å; K54-F61 HydrophobicContact CB-CG 3.7Å; K54-F61 HydrophobicContact CD-CB 3.97Å; K54-F61 HydrophobicContact CD-CD1 3.59Å; K54-F61 HydrophobicContact CD-CE1 4.2Å; K54-F61 HydrophobicContact CD-CG 3.81Å; K54-F61 HydrophobicContact CG-CB 4.37Å; K54-F61 HydrophobicContact CG-CD1 4.16Å; K54-F61 HydrophobicContact CG-CD2 4.38Å; K54-F61 HydrophobicContact CG-CG 4.06Å; L55-F61 HydrophobicContact CB-CD2 4.22Å; L55-F61 WeakPolarHBondContact O-CB 3.13Å; G57-F61 WeakPolarHBondContact O-CB 3.16Å; G57-F61 PolarHBondContact O-N 2.9Å; R58-F61 PolarHBondContact O-N 3.42Å; F61-I63 VanDerWaalsContact C-N 3.34Å; F61-I63 PolarHBondContact O-N 3.03Å; F61-V64 PolarHBondContact O-N 2.88Å; F61-H65 HydrophobicContact CD1-CB 4.48Å; F61-H65 AromaticContact CD1-CE1 3.75Å; F61-H65 AromaticContact CD1-CG 3.94Å; F61-H65 AromaticContact CD1-ND1 3.33Å; F61-H65 VanDerWaalsContact CD1-ND1 3.33Å; F61-H65 WeakPolarHBondContact CD1-ND1 3.47Å; F61-H65 AromaticContact CD2-CE1 3.54Å; F61-H65 AromaticContact CD2-ND1 3.87Å; F61-H65 HydrophobicContact CE1-CB 4.41Å; F61-H65 AromaticContact CE1-CD2 3.97Å; F61-H65 AromaticContact CE1-CE1 3.5Å; F61-H65 AromaticContact CE1-CG 3.69Å; F61-H65 AromaticContact CE1-ND1 3.39Å; F61-H65 WeakPolarHBondContact CE1-ND1 3.5Å; F61-H65 AromaticContact CE1-NE2 3.87Å; F61-H65 AromaticContact CE2-CE1 3.28Å; F61-H65 WeakPolarHBondContact CE2-CE1 3.4Å; F61-H65 AromaticContact CE2-ND1 3.92Å; F61-H65 AromaticContact CE2-NE2 3.86Å; F61-H65 AromaticContact CG-CE1 3.78Å; F61-H65 AromaticContact CG-ND1 3.6Å; F61-H65 AromaticContact CZ-CE1 3.26Å; F61-H65 WeakPolarHBondContact CZ-CE1 3.42Å; F61-H65 AromaticContact CZ-ND1 3.69Å; F61-H65 AromaticContact CZ-NE2 3.5Å; F61-H65 WeakPolarHBondContact O-CB 3.39Å; F61-H65 PolarHBondContact O-N 3.47Å; F61-H65 PolarHBondContact O-ND1 3.14Å; F61-W76 HydrophobicContact CD2-CZ2 4.21Å; F61-Q155 HydrophobicContact CE2-CB 4.45Å; F61-Q155 HydrophobicContact CZ-CB 4.47Å
62	D	96.1	Very high	96.2	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-69.8	-30.8	-178.8	-71.3	-7.3	0	0	0	112.3	K54 R58 I60 N66	K54-D62 IonicContact NZ-OD1 3.63Å; K54-D62 PolarHBondContact NZ-OD1 3.33Å; K54-D62 IonicContact NZ-OD2 3.11Å; R58-D62 WeakPolarHBondContact CG-OD2 3.45Å; R58-D62 WeakPolarHBondContact O-CB 3.04Å; R58-D62 PolarHBondContact O-N 2.96Å; I60-D62 VanDerWaalsContact C-N 3.35Å; I60-D62 PolarHBondContact O-N 3.12Å; D62-N66 WeakPolarHBondContact O-CB 3.13Å; D62-N66 PolarHBondContact O-N 2.86Å; D62-N66 PolarHBondContact O-ND2 3.38Å
63	I	96.8	Very high	96.2	Very high	26 Å²	26	43.5 Å²	43.5	13%	0.133	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-47.3	172.7	-76.1	165.4	0	0	0	110.2	A59 I60 F61 N67 K68 Y69 I73 F79	A59-I63 WeakPolarHBondContact O-CB 3.25Å; A59-I63 WeakPolarHBondContact O-CD1 3.4Å; A59-I63 WeakPolarHBondContact O-CG1 3.22Å; A59-I63 PolarHBondContact O-N 2.87Å; I60-I63 PolarHBondContact O-N 3.32Å; F61-I63 VanDerWaalsContact C-N 3.34Å; F61-I63 PolarHBondContact O-N 3.03Å; I63-N67 WeakPolarHBondContact O-CA 3.41Å; I63-N67 PolarHBondContact O-N 2.84Å; I63-N67 VanDerWaalsContact O-N 3.12Å; I63-K68 HydrophobicContact CB-CB 4.37Å; I63-K68 HydrophobicContact CG1-CB 4.14Å; I63-K68 HydrophobicContact CG1-CD 4.18Å; I63-K68 HydrophobicContact CG2-CB 4.35Å; I63-K68 PolarHBondContact O-N 2.88Å; I63-Y69 HydrophobicContact CD1-CD2 3.94Å; I63-Y69 HydrophobicContact CD1-CE2 3.67Å; I63-Y69 HydrophobicContact CG1-CD2 3.85Å; I63-Y69 HydrophobicContact CG1-CE2 3.76Å; I63-Y69 HydrophobicContact CG2-CD2 4.08Å; I63-I73 HydrophobicContact CG2-CB 4.38Å; I63-I73 HydrophobicContact CG2-CG1 4.12Å; I63-I73 HydrophobicContact CG2-CG2 3.96Å; I63-F79 HydrophobicContact CG2-CE2 3.95Å; I63-F79 HydrophobicContact CG2-CZ 3.97Å
64	V	96.6	Very high	96.1	Very high	21 Å²	21	47.8 Å²	47.8	13%	0.127	23%	0.233	C	C	.	.	H	α-helix	trans	-66.3	-51.4	-179.8	169.1	0	0	0	0	111.1	I60 F61 N67 W76 F79	I60-V64 HydrophobicContact CG2-CG2 4.47Å; I60-V64 WeakPolarHBondContact O-CG2 3.49Å; I60-V64 PolarHBondContact O-N 3.04Å; F61-V64 PolarHBondContact O-N 2.88Å; V64-N67 PolarHBondContact O-N 2.82Å; V64-W76 HydrophobicContact CG1-CD2 4.21Å; V64-W76 HydrophobicContact CG1-CG 4.02Å; V64-W76 HydrophobicContact CG2-CD2 4.2Å; V64-W76 HydrophobicContact CG2-CE3 4.38Å; V64-F79 HydrophobicContact CG2-CD2 3.62Å; V64-F79 HydrophobicContact CG2-CE2 3.76Å
65	H	95.8	Very high	95.9	Very high	69 Å²	69	46.7 Å²	46.7	32%	0.319	24%	0.235	S	C	.	.	H	α-helix	trans	-77.3	-29.7	-172	-67.9	81.2	0	0	0	113.3	F61 W76 A152 D153	F61-H65 HydrophobicContact CD1-CB 4.48Å; F61-H65 AromaticContact CD1-CE1 3.75Å; F61-H65 AromaticContact CD1-CG 3.94Å; F61-H65 AromaticContact CD1-ND1 3.33Å; F61-H65 VanDerWaalsContact CD1-ND1 3.33Å; F61-H65 WeakPolarHBondContact CD1-ND1 3.47Å; F61-H65 AromaticContact CD2-CE1 3.54Å; F61-H65 AromaticContact CD2-ND1 3.87Å; F61-H65 HydrophobicContact CE1-CB 4.41Å; F61-H65 AromaticContact CE1-CD2 3.97Å; F61-H65 AromaticContact CE1-CE1 3.5Å; F61-H65 AromaticContact CE1-CG 3.69Å; F61-H65 AromaticContact CE1-ND1 3.39Å; F61-H65 WeakPolarHBondContact CE1-ND1 3.5Å; F61-H65 AromaticContact CE1-NE2 3.87Å; F61-H65 AromaticContact CE2-CE1 3.28Å; F61-H65 WeakPolarHBondContact CE2-CE1 3.4Å; F61-H65 AromaticContact CE2-ND1 3.92Å; F61-H65 AromaticContact CE2-NE2 3.86Å; F61-H65 AromaticContact CG-CE1 3.78Å; F61-H65 AromaticContact CG-ND1 3.6Å; F61-H65 AromaticContact CZ-CE1 3.26Å; F61-H65 WeakPolarHBondContact CZ-CE1 3.42Å; F61-H65 AromaticContact CZ-ND1 3.69Å; F61-H65 AromaticContact CZ-NE2 3.5Å; F61-H65 WeakPolarHBondContact O-CB 3.39Å; F61-H65 PolarHBondContact O-N 3.47Å; F61-H65 PolarHBondContact O-ND1 3.14Å; H65-W76 AromaticContact CE1-NE1 3.95Å; H65-A152 PolarHBondContact CE1-O 2.94Å; H65-A152 VanDerWaalsContact CE1-O 3.29Å; H65-A152 PolarHBondContact NE2-O 2.93Å; H65-D153 IonicContact CD2-OD1 2.8Å; H65-D153 IonicContact NE2-OD1 3.62Å; H65-D153 PolarHBondContact NE2-OD1 3.19Å; H65-D153 VanDerWaalsContact NE2-OD1 3.11Å
66	N	95.6	Very high	95.9	Very high	92 Å²	92	47.3 Å²	47.3	49%	0.492	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	4.8	175.4	-54.4	-55.1	0	0	0	113.1	D62 K68	D62-N66 WeakPolarHBondContact O-CB 3.13Å; D62-N66 PolarHBondContact O-N 2.86Å; D62-N66 PolarHBondContact O-ND2 3.38Å; N66-K68 VanDerWaalsContact C-N 3.34Å; N66-K68 HydrophobicContact CB-CG 4.25Å; N66-K68 PolarHBondContact O-N 3.07Å
67	N	94.9	Very high	95.8	Very high	78 Å²	78	52.7 Å²	52.7	42%	0.417	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	48.8	178.9	-168.1	26.7	0	0	0	112.6	I63 V64 K70	I63-N67 WeakPolarHBondContact O-CA 3.41Å; I63-N67 PolarHBondContact O-N 2.84Å; I63-N67 VanDerWaalsContact O-N 3.12Å; V64-N67 PolarHBondContact O-N 2.82Å; N67-K70 WeakPolarHBondContact ND2-CE 3.27Å; N67-K70 WeakPolarHBondContact O-CE 3.47Å; N67-K70 WeakPolarHBondContact O-CG 3.08Å
68	K	95.3	Very high	95.8	Very high	27 Å²	27	55.4 Å²	55.4	12%	0.117	27%	0.266	C	S	.	.			trans	-79.1	156.4	175.4	-61	-178.9	179.1	174.6	0	110.5	I63 N66 K70 P365 E367	I63-K68 HydrophobicContact CB-CB 4.37Å; I63-K68 HydrophobicContact CG1-CB 4.14Å; I63-K68 HydrophobicContact CG1-CD 4.18Å; I63-K68 HydrophobicContact CG2-CB 4.35Å; I63-K68 PolarHBondContact O-N 2.88Å; N66-K68 VanDerWaalsContact C-N 3.34Å; N66-K68 HydrophobicContact CB-CG 4.25Å; N66-K68 PolarHBondContact O-N 3.07Å; K68-K70 PolarHBondContact O-N 2.64Å; K68-P365 PolarHBondContact NZ-O 3.09Å; K68-E367 VanDerWaalsContact CA-OE2 3.25Å; K68-E367 WeakPolarHBondContact CA-OE2 3.46Å; K68-E367 HydrophobicContact CB-CG 4.41Å; K68-E367 VanDerWaalsContact CB-OE2 3.27Å; K68-E367 WeakPolarHBondContact CB-OE2 3.48Å; K68-E367 HydrophobicContact CD-CB 4.46Å
69	Y	96.6	Very high	95.9	Very high	39 Å²	39	56.4 Å²	56.4	15%	0.153	27%	0.271	C	S	.	.	S	Bend	trans	56.8	45.8	178.2	-53.5	-76.4	0	0	0	113.4	I63 E71 W72 I73 E367 V368 Y371	I63-Y69 HydrophobicContact CD1-CD2 3.94Å; I63-Y69 HydrophobicContact CD1-CE2 3.67Å; I63-Y69 HydrophobicContact CG1-CD2 3.85Å; I63-Y69 HydrophobicContact CG1-CE2 3.76Å; I63-Y69 HydrophobicContact CG2-CD2 4.08Å; Y69-E71 PolarHBondContact O-N 3.26Å; Y69-W72 PolarHBondContact O-N 3.06Å; Y69-I73 PolarHBondContact O-N 2.73Å; Y69-E367 HydrophobicContact CD1-CG 4.04Å; Y69-E367 HydrophobicContact CE1-CG 3.73Å; Y69-E367 HydrophobicContact CE2-CG 4.23Å; Y69-E367 HydrophobicContact CG-CG 4.41Å; Y69-E367 VanDerWaalsContact N-CD 3.33Å; Y69-E367 PolarHBondContact N-OE1 3.02Å; Y69-E367 VanDerWaalsContact N-OE1 3.09Å; Y69-E367 PolarHBondContact N-OE2 3.18Å; Y69-V368 HydrophobicContact CE1-CB 4.18Å; Y69-V368 WeakPolarHBondContact OH-CG2 3.45Å; Y69-V368 PolarHBondContact OH-N 2.96Å; Y69-V368 VanDerWaalsContact OH-N 3.15Å; Y69-Y371 AromaticContact CD1-CD1 3.64Å; Y69-Y371 HydrophobicContact CD1-CD1 3.64Å; Y69-Y371 AromaticContact CD1-CD2 3.83Å; Y69-Y371 HydrophobicContact CD1-CD2 3.83Å; Y69-Y371 HydrophobicContact CD1-CE1 4.01Å; Y69-Y371 HydrophobicContact CD1-CE2 4.17Å; Y69-Y371 AromaticContact CD1-CG 3.55Å; Y69-Y371 HydrophobicContact CD1-CG 3.55Å; Y69-Y371 AromaticContact CE1-CD1 3.99Å; Y69-Y371 HydrophobicContact CE1-CD1 3.99Å; Y69-Y371 AromaticContact CE1-CG 3.91Å; Y69-Y371 HydrophobicContact CE1-CG 3.91Å
70	K	94.4	Very high	96	Very high	139 Å²	139	58.6 Å²	58.6	60%	0.604	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.3	-170.3	-62.7	-177.4	-177.6	177.8	0	115.2	N67 K68 W72 Y371	N67-K70 WeakPolarHBondContact ND2-CE 3.27Å; N67-K70 WeakPolarHBondContact O-CE 3.47Å; N67-K70 WeakPolarHBondContact O-CG 3.08Å; K68-K70 PolarHBondContact O-N 2.64Å; K70-W72 PolarHBondContact O-N 3.47Å; K70-Y371 PolarHBondContact N-OH 3.33Å
71	E	94.5	Very high	95.9	Very high	119 Å²	119	56.5 Å²	56.5	56%	0.556	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-25.5	177.8	-65.4	178.4	-167.5	0	0	112.3	Y69 Y371 A372	Y69-E71 PolarHBondContact O-N 3.26Å; E71-Y371 HydrophobicContact CB-CE2 4.16Å; E71-Y371 WeakPolarHBondContact CG-OH 3.35Å; E71-Y371 PolarHBondContact N-OH 3.24Å; E71-A372 VanDerWaalsContact OE2-CB 3.29Å; E71-A372 WeakPolarHBondContact OE2-CB 3.46Å
72	W	95.8	Very high	95.8	Very high	78 Å²	78	56 Å²	56	30%	0.295	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-39.6	-173.3	-56.7	-15.8	0	0	0	112.9	Y69 K70 N78 Y371 M375	Y69-W72 PolarHBondContact O-N 3.06Å; K70-W72 PolarHBondContact O-N 3.47Å; W72-N78 PolarHBondContact O-ND2 3.46Å; W72-Y371 HydrophobicContact CD2-CD2 4.01Å; W72-Y371 HydrophobicContact CD2-CE2 4.03Å; W72-Y371 AromaticContact CE2-CD2 3.81Å; W72-Y371 AromaticContact CE2-CE2 3.95Å; W72-Y371 AromaticContact CE3-CD2 3.95Å; W72-Y371 HydrophobicContact CE3-CD2 3.95Å; W72-Y371 HydrophobicContact CE3-CE2 4.31Å; W72-Y371 HydrophobicContact CG-CE2 4.49Å; W72-Y371 AromaticContact CH2-CD2 3.59Å; W72-Y371 HydrophobicContact CH2-CD2 3.59Å; W72-Y371 HydrophobicContact CH2-CG 4.39Å; W72-Y371 WeakPolarHBondContact CH2-O 3.2Å; W72-Y371 AromaticContact CZ2-CD2 3.65Å; W72-Y371 HydrophobicContact CZ2-CD2 3.65Å; W72-Y371 HydrophobicContact CZ2-CE2 4.24Å; W72-Y371 AromaticContact CZ3-CD2 3.74Å; W72-Y371 HydrophobicContact CZ3-CD2 3.74Å; W72-M375 HydrophobicContact CH2-CB 4.24Å; W72-M375 HydrophobicContact CH2-CG 3.38Å; W72-M375 HydrophobicContact CZ2-CB 4.1Å; W72-M375 HydrophobicContact CZ2-CG 3.69Å; W72-M375 HydrophobicContact CZ3-CG 4.46Å
73	I	97.3	Very high	95.8	Very high	24 Å²	24	61 Å²	61	12%	0.123	29%	0.289	C	S	.	.			trans	-102.8	125.4	-168.3	-52.8	-56.4	0	0	0	110.3	I63 Y69 N78 F79	I63-I73 HydrophobicContact CG2-CB 4.38Å; I63-I73 HydrophobicContact CG2-CG1 4.12Å; I63-I73 HydrophobicContact CG2-CG2 3.96Å; Y69-I73 PolarHBondContact O-N 2.73Å; I73-N78 HydrophobicContact CD1-CB 3.85Å; I73-N78 HydrophobicContact CG2-CB 4.27Å; I73-F79 HydrophobicContact CD1-CE2 4.17Å; I73-F79 HydrophobicContact CD1-CZ 3.98Å; I73-F79 HydrophobicContact CG1-CZ 4.49Å; I73-F79 HydrophobicContact CG2-CE2 3.76Å; I73-F79 HydrophobicContact CG2-CZ 4.49Å
74	K	95.8	Very high	95.8	Very high	95 Å²	95	61.5 Å²	61.5	41%	0.413	29%	0.291	S	S	.	.			trans	-123.5	70.9	170.2	-29.6	-175.4	-169.5	161.7	0	109.7	R77 N78	K74-R77 VanDerWaalsContact CB-NE 3.3Å; K74-R77 VanDerWaalsContact O-CD 3.27Å; K74-R77 WeakPolarHBondContact O-CD 3.08Å; K74-R77 VanDerWaalsContact O-CG 3.24Å; K74-R77 WeakPolarHBondContact O-CG 3.45Å; K74-N78 PolarHBondContact N-OD1 3.05Å
75	G	94.7	Very high	95.8	Very high	24 Å²	24	62 Å²	62	25%	0.247	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	69.4	-156.1	179.6	0	0	0	0	0	114.4	R77 N78	G75-R77 PolarHBondContact O-N 2.99Å; G75-N78 PolarHBondContact O-N 2.75Å
76	W	96.1	Very high	95.9	Very high	16 Å²	16	58.7 Å²	58.7	6%	0.061	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.7	-16	-176.1	-79.3	113.8	0	0	0	115.3	L55 I60 F61 V64 H65 N78 F79 A81 Y146 A152	L55-W76 HydrophobicContact CB-CH2 4.24Å; L55-W76 HydrophobicContact CB-CZ2 4.38Å; L55-W76 HydrophobicContact CD2-CH2 3.96Å; L55-W76 HydrophobicContact CD2-CZ2 3.82Å; L55-W76 HydrophobicContact CG-CH2 3.83Å; L55-W76 HydrophobicContact CG-CZ2 4.14Å; L55-W76 WeakPolarHBondContact O-CH2 3.47Å; I60-W76 HydrophobicContact CG2-CH2 4.04Å; I60-W76 HydrophobicContact CG2-CZ3 3.7Å; F61-W76 HydrophobicContact CD2-CZ2 4.21Å; V64-W76 HydrophobicContact CG1-CD2 4.21Å; V64-W76 HydrophobicContact CG1-CG 4.02Å; V64-W76 HydrophobicContact CG2-CD2 4.2Å; V64-W76 HydrophobicContact CG2-CE3 4.38Å; H65-W76 AromaticContact CE1-NE1 3.95Å; W76-N78 PolarHBondContact O-N 3.39Å; W76-N78 VanDerWaalsContact O-N 3.12Å; W76-F79 HydrophobicContact CE3-CB 4.09Å; W76-F79 HydrophobicContact CZ3-CB 4.28Å; W76-F79 PolarHBondContact O-N 2.99Å; W76-F79 VanDerWaalsContact O-N 3.08Å; W76-A81 HydrophobicContact CZ3-CB 4.28Å; W76-Y146 HydrophobicContact CD2-CD2 4.33Å; W76-Y146 AromaticContact CE3-CD2 3.89Å; W76-Y146 HydrophobicContact CE3-CD2 3.89Å; W76-Y146 HydrophobicContact CE3-CE2 4.38Å; W76-Y146 HydrophobicContact CZ3-CD2 4.47Å; W76-A152 PolarHBondContact NE1-O 3.07Å; W76-A152 VanDerWaalsContact NE1-O 3.11Å
77	R	95.6	Very high	96	Very high	130 Å²	130	55 Å²	55	49%	0.491	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-60.6	-24.3	179.3	82.5	-173.1	-166.8	140.9	12.8	113.1	K74 G75	K74-R77 VanDerWaalsContact CB-NE 3.3Å; K74-R77 VanDerWaalsContact O-CD 3.27Å; K74-R77 WeakPolarHBondContact O-CD 3.08Å; K74-R77 VanDerWaalsContact O-CG 3.24Å; K74-R77 WeakPolarHBondContact O-CG 3.45Å; G75-R77 PolarHBondContact O-N 2.99Å
78	N	96.8	Very high	96.2	Very high	61 Å²	61	51.7 Å²	51.7	33%	0.326	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-90.1	-2.9	-178.3	-72.4	90.6	0	0	0	113	W72 I73 K74 G75 W76	W72-N78 PolarHBondContact O-ND2 3.46Å; I73-N78 HydrophobicContact CD1-CB 3.85Å; I73-N78 HydrophobicContact CG2-CB 4.27Å; K74-N78 PolarHBondContact N-OD1 3.05Å; G75-N78 PolarHBondContact O-N 2.75Å; W76-N78 PolarHBondContact O-N 3.39Å; W76-N78 VanDerWaalsContact O-N 3.12Å
79	F	97.1	Very high	96.3	Very high	46 Å²	46	50.4 Å²	50.4	20%	0.202	23%	0.233	C	C	.	.			trans	-130.2	156.9	-178	-61.5	-75.3	0	0	0	111	I60 I63 V64 I73 W76 Y146	I60-F79 HydrophobicContact CB-CD1 4.49Å; I60-F79 HydrophobicContact CD1-CD1 3.82Å; I60-F79 HydrophobicContact CD1-CE1 4.2Å; I60-F79 HydrophobicContact CG1-CD1 4.04Å; I60-F79 HydrophobicContact CG1-CE1 4Å; I60-F79 HydrophobicContact CG2-CB 3.93Å; I60-F79 HydrophobicContact CG2-CD1 3.74Å; I60-F79 HydrophobicContact CG2-CD2 3.73Å; I60-F79 HydrophobicContact CG2-CE1 4.13Å; I60-F79 HydrophobicContact CG2-CE2 4.11Å; I60-F79 HydrophobicContact CG2-CG 3.52Å; I60-F79 HydrophobicContact CG2-CZ 4.3Å; I63-F79 HydrophobicContact CG2-CE2 3.95Å; I63-F79 HydrophobicContact CG2-CZ 3.97Å; V64-F79 HydrophobicContact CG2-CD2 3.62Å; V64-F79 HydrophobicContact CG2-CE2 3.76Å; I73-F79 HydrophobicContact CD1-CE2 4.17Å; I73-F79 HydrophobicContact CD1-CZ 3.98Å; I73-F79 HydrophobicContact CG1-CZ 4.49Å; I73-F79 HydrophobicContact CG2-CE2 3.76Å; I73-F79 HydrophobicContact CG2-CZ 4.49Å; W76-F79 HydrophobicContact CE3-CB 4.09Å; W76-F79 HydrophobicContact CZ3-CB 4.28Å; W76-F79 PolarHBondContact O-N 2.99Å; W76-F79 VanDerWaalsContact O-N 3.08Å; F79-Y146 WeakPolarHBondContact O-CE2 3.21Å; F79-Y146 PolarHBondContact O-OH 3.47Å
80	N	96.4	Very high	96.4	Very high	82 Å²	82	48.6 Å²	48.6	44%	0.439	23%	0.226	S	C	.	.			trans	-131	99.1	177.2	-170.9	-15.5	0	0	0	111	G82 Y146	N80-G82 VanDerWaalsContact C-N 3.31Å; N80-G82 WeakPolarHBondContact OD1-CA 3.34Å; N80-G82 PolarHBondContact OD1-N 2.88Å; N80-Y146 WeakPolarHBondContact CA-OH 3.48Å; N80-Y146 PolarHBondContact OD1-OH 3.06Å
81	A	96.1	Very high	96.6	Very high	6 Å²	6	42 Å²	42	5%	0.05	20%	0.197	C	C	.	.			trans	-93.3	15.4	174	0	0	0	0	0	112.4	L55 W76 H83 E84 Y146	L55-A81 HydrophobicContact CD1-CB 3.85Å; L55-A81 HydrophobicContact CG-CB 4.11Å; W76-A81 HydrophobicContact CZ3-CB 4.28Å; A81-H83 PolarHBondContact O-N 2.87Å; A81-E84 WeakPolarHBondContact O-CB 3.4Å; A81-E84 PolarHBondContact O-N 2.89Å; A81-E84 VanDerWaalsContact O-N 3.09Å; A81-Y146 HydrophobicContact CB-CD1 4.34Å; A81-Y146 HydrophobicContact CB-CD2 4.03Å; A81-Y146 HydrophobicContact CB-CG 3.89Å
82	G	94.5	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.3	-174.4	0	0	0	0	0	114.4	N80 K109 L144	N80-G82 VanDerWaalsContact C-N 3.31Å; N80-G82 WeakPolarHBondContact OD1-CA 3.34Å; N80-G82 PolarHBondContact OD1-N 2.88Å; G82-K109 WeakPolarHBondContact O-CE 3.37Å; G82-L144 PolarHBondContact O-N 3.47Å
83	H	94.7	Very high	97	Very high	110 Å²	110	33.4 Å²	33.4	51%	0.509	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-13.1	176.5	-78.3	-52.3	0	0	0	113.9	A81 Y106 W143	A81-H83 PolarHBondContact O-N 2.87Å; H83-Y106 AromaticContact ND1-CE2 3.78Å; H83-W143 AromaticContact CD2-CZ3 3.66Å; H83-W143 AromaticContact CE1-CH2 3.4Å; H83-W143 VanDerWaalsContact CE1-CH2 3.4Å; H83-W143 WeakPolarHBondContact CE1-CH2 3.26Å; H83-W143 AromaticContact CE1-CZ3 3.21Å; H83-W143 WeakPolarHBondContact CE1-CZ3 3.2Å; H83-W143 AromaticContact CG-CZ3 3.71Å; H83-W143 AromaticContact ND1-CZ3 3.44Å; H83-W143 WeakPolarHBondContact ND1-CZ3 3.17Å; H83-W143 AromaticContact NE2-CH2 3.44Å; H83-W143 WeakPolarHBondContact NE2-CH2 3.37Å; H83-W143 AromaticContact NE2-CZ3 3.35Å; H83-W143 VanDerWaalsContact NE2-CZ3 3.35Å; H83-W143 WeakPolarHBondContact NE2-CZ3 3.04Å
84	E	96.4	Very high	97	Very high	35 Å²	35	32.9 Å²	32.9	16%	0.164	16%	0.161	C	C	.	.			trans	-68.8	166.6	171.9	-73.4	-163.5	-127.6	0	0	112	K51 G56 A81 K109 L144	K51-E84 IonicContact NZ-OE2 3.51Å; G56-E84 WeakPolarHBondContact CA-OE1 3.37Å; G56-E84 PolarHBondContact N-OE1 3.26Å; A81-E84 WeakPolarHBondContact O-CB 3.4Å; A81-E84 PolarHBondContact O-N 2.89Å; A81-E84 VanDerWaalsContact O-N 3.09Å; E84-K109 WeakPolarHBondContact O-CD 3.34Å; E84-K109 VanDerWaalsContact O-CE 3.26Å; E84-K109 WeakPolarHBondContact O-CE 3.42Å; E84-L144 HydrophobicContact CB-CD2 3.75Å
85	H	97.1	Very high	97.1	Very high	32 Å²	32	28.4 Å²	28.4	15%	0.148	14%	0.142	C	C	.	.			trans	-116.6	157.2	-177.5	-74	-161.2	0	0	0	110.8	D87 L105 K109 N114	H85-D87 HydrophobicContact CB-CB 3.92Å; H85-D87 PolarHBondContact O-N 3.48Å; H85-L105 PolarHBondContact CE1-O 3.19Å; H85-L105 VanDerWaalsContact CE1-O 3.31Å; H85-K109 PolarHBondContact CD2-NZ 3.37Å; H85-K109 PolarHBondContact NE2-NZ 2.91Å; H85-N114 PolarHBondContact ND1-OD1 3.01Å
86	P	97.6	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-75.5	69.2	167.6	31.3	-33.1	0	0	0	110.4	Y110 N114 Q134 L144	P86-Y110 VanDerWaalsContact CG-C 3.43Å; P86-N114 PolarHBondContact O-ND2 2.82Å; P86-N114 VanDerWaalsContact O-ND2 3.11Å; P86-Q134 HydrophobicContact CB-CB 3.98Å; P86-L144 HydrophobicContact CB-CD1 4.43Å; P86-L144 HydrophobicContact CG-CD1 4.4Å
87	D	98.2	Very high	97.1	Very high	14 Å²	14	28.7 Å²	28.7	8%	0.075	15%	0.146	C	C	.	.			trans	-125.4	18.8	-164.1	64.8	-1.5	0	0	0	113.6	K51 H85 N89 S90 N114	K51-D87 WeakPolarHBondContact CD-OD2 3.4Å; K51-D87 WeakPolarHBondContact CE-OD1 3.37Å; K51-D87 IonicContact NZ-OD1 3.6Å; K51-D87 PolarHBondContact NZ-OD1 2.86Å; K51-D87 IonicContact NZ-OD2 3.46Å; K51-D87 PolarHBondContact NZ-OD2 3.32Å; H85-D87 HydrophobicContact CB-CB 3.92Å; H85-D87 PolarHBondContact O-N 3.48Å; D87-N89 PolarHBondContact O-N 3.34Å; D87-S90 WeakPolarHBondContact O-CB 3.47Å; D87-S90 PolarHBondContact O-N 2.78Å; D87-S90 PolarHBondContact O-OG 3.2Å; D87-N114 HydrophobicContact CB-CB 3.86Å
88	Q	98.5	Very high	97.2	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.037	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	136	177.9	-52.9	-56	-29	0	0	110.6	G53 S90 V116 Q134 A177	G53-Q88 VanDerWaalsContact O-CD 3.31Å; G53-Q88 PolarHBondContact O-NE2 3.32Å; G53-Q88 PolarHBondContact O-OE1 3.38Å; Q88-S90 VanDerWaalsContact C-N 3.31Å; Q88-V116 VanDerWaalsContact O-CG1 3.29Å; Q88-V116 WeakPolarHBondContact O-CG1 3.38Å; Q88-Q134 VanDerWaalsContact N-OE1 3.08Å; Q88-Q134 PolarHBondContact O-NE2 3.24Å; Q88-A177 HydrophobicContact CB-CB 3.73Å; Q88-A177 HydrophobicContact CG-CB 3.78Å
89	N	98.6	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	19.4	-165.6	-70.3	-6.5	0	0	0	115.1	F50 K51 S52 D87 G174 F187 R189	F50-N89 HydrophobicContact CE2-CB 4.36Å; F50-N89 HydrophobicContact CZ-CB 4.25Å; K51-N89 CarbonylContact O-C 3.6Å; K51-N89 WeakPolarHBondContact O-CA 3.41Å; K51-N89 PolarHBondContact O-N 3.47Å; S52-N89 VanDerWaalsContact CB-OD1 3.27Å; S52-N89 WeakPolarHBondContact CB-OD1 3.47Å; S52-N89 PolarHBondContact OG-OD1 2.85Å; D87-N89 PolarHBondContact O-N 3.34Å; N89-G174 WeakPolarHBondContact ND2-CA 3.23Å; N89-G174 PolarHBondContact ND2-N 2.85Å; N89-F187 PolarHBondContact ND2-O 3.14Å; N89-R189 HydrophobicContact CB-CB 4.2Å; N89-R189 VanDerWaalsContact O-CD 3.26Å; N89-R189 WeakPolarHBondContact O-CD 3.34Å; N89-R189 PolarHBondContact O-NH1 2.76Å
90	S	98.8	Very high	97.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.007	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	159.7	171.5	82.8	0	0	0	0	111.9	F50 K51 D87 Q88 E103	F50-S90 CarbonylContact C-O 3.54Å; F50-S90 WeakPolarHBondContact CA-O 3.49Å; F50-S90 VanDerWaalsContact CD2-O 3.26Å; F50-S90 WeakPolarHBondContact CD2-O 3.48Å; K51-S90 PolarHBondContact N-O 2.92Å; K51-S90 PolarHBondContact O-N 2.78Å; D87-S90 WeakPolarHBondContact O-CB 3.47Å; D87-S90 PolarHBondContact O-N 2.78Å; D87-S90 PolarHBondContact O-OG 3.2Å; Q88-S90 VanDerWaalsContact C-N 3.31Å; S90-E103 PolarHBondContact OG-OE1 2.84Å; S90-E103 VanDerWaalsContact OG-OE1 3.07Å
91	F	98.9	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	160	173.1	81.2	-79.3	0	0	0	110.9	L48 S49 F50 F93 I101 N115 L191 L199 M201 F220 F297	L48-F91 HydrophobicContact CD1-CD2 4.36Å; S49-F91 CarbonylContact O-C 3.49Å; S49-F91 WeakPolarHBondContact O-CA 3.46Å; S49-F91 WeakPolarHBondContact O-CB 3.18Å; F50-F91 HydrophobicContact CD2-CB 4.09Å; F91-F93 HydrophobicContact CD2-CB 4.42Å; F91-F93 HydrophobicContact CE2-CB 4.19Å; F91-I101 HydrophobicContact CE1-CG2 4.42Å; F91-I101 HydrophobicContact CE2-CB 4.17Å; F91-I101 HydrophobicContact CE2-CG1 4.19Å; F91-I101 HydrophobicContact CE2-CG2 4.01Å; F91-I101 HydrophobicContact CZ-CB 4.42Å; F91-I101 HydrophobicContact CZ-CG1 4.26Å; F91-I101 HydrophobicContact CZ-CG2 3.93Å; F91-N115 HydrophobicContact CD1-CB 4.3Å; F91-N115 HydrophobicContact CE1-CB 4.45Å; F91-N115 PolarHBondContact O-ND2 2.86Å; F91-L191 HydrophobicContact CB-CD1 3.72Å; F91-L191 HydrophobicContact CD2-CD1 4.4Å; F91-L191 HydrophobicContact CD2-CD2 4.34Å; F91-L191 HydrophobicContact CG-CD1 4.16Å; F91-L191 HydrophobicContact CG-CD2 4.28Å; F91-L199 HydrophobicContact CD2-CD2 4.09Å; F91-L199 HydrophobicContact CE2-CD2 3.73Å; F91-M201 HydrophobicContact CD1-SD 3.97Å; F91-M201 HydrophobicContact CE1-CE 4.45Å; F91-M201 HydrophobicContact CE1-SD 3.48Å; F91-M201 WeakPolarHBondContact CE1-SD 3.48Å; F91-M201 HydrophobicContact CZ-SD 4.08Å; F91-F220 AromaticContact CE1-CD1 3.95Å; F91-F220 HydrophobicContact CE1-CD1 3.95Å; F91-F220 AromaticContact CE1-CE1 3.82Å; F91-F220 HydrophobicContact CE1-CE1 3.82Å; F91-F220 HydrophobicContact CZ-CD1 4.03Å; F91-F220 HydrophobicContact CZ-CE1 4.07Å; F91-F297 HydrophobicContact CE2-CE2 4.44Å; F91-F297 HydrophobicContact CE2-CZ 4.49Å; F91-F297 HydrophobicContact CZ-CE1 4.13Å; F91-F297 AromaticContact CZ-CE2 3.9Å; F91-F297 HydrophobicContact CZ-CE2 3.9Å; F91-F297 AromaticContact CZ-CZ 3.66Å; F91-F297 HydrophobicContact CZ-CZ 3.66Å
92	T	98.8	Very high	97.5	Very high	16 Å²	16	17.7 Å²	17.7	10%	0.098	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.5	167.2	71.3	0	0	0	0	110.3	L48 S49 I101 E103	L48-T92 WeakPolarHBondContact CA-O 3.41Å; L48-T92 VanDerWaalsContact CD1-O 3.28Å; L48-T92 WeakPolarHBondContact CD1-O 3.5Å; S49-T92 PolarHBondContact N-O 3.19Å; S49-T92 PolarHBondContact O-N 3.07Å; S49-T92 PolarHBondContact OG-N 3.16Å; S49-T92 PolarHBondContact OG-OG1 3.14Å; T92-I101 CarbonylContact C-O 3.59Å; T92-I101 VanDerWaalsContact CA-O 3.29Å; T92-I101 WeakPolarHBondContact CA-O 3.24Å; T92-I101 VanDerWaalsContact CB-O 3.31Å; T92-I101 WeakPolarHBondContact CB-O 2.88Å; T92-E103 HydrophobicContact CG2-CB 4.49Å; T92-E103 HydrophobicContact CG2-CG 3.67Å
93	F	98.8	Very high	97.6	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	122.4	179.9	-176.9	-135.2	0	0	0	110.7	F47 L48 F91 P95 F100 I101 L193 L199 F297	F47-F93 WeakPolarHBondContact O-CD2 3.35Å; L48-F93 HydrophobicContact CB-CD2 4.49Å; L48-F93 HydrophobicContact CD1-CB 4.42Å; L48-F93 HydrophobicContact CD1-CD2 4.31Å; F91-F93 HydrophobicContact CD2-CB 4.42Å; F91-F93 HydrophobicContact CE2-CB 4.19Å; F93-P95 HydrophobicContact CD1-CG 4.08Å; F93-P95 HydrophobicContact CE1-CB 3.94Å; F93-P95 HydrophobicContact CE1-CG 3.65Å; F93-P95 HydrophobicContact CE2-CB 4.17Å; F93-P95 HydrophobicContact CE2-CG 4.47Å; F93-P95 HydrophobicContact CZ-CB 3.64Å; F93-P95 HydrophobicContact CZ-CG 3.88Å; F93-F100 HydrophobicContact CD1-CD1 4.3Å; F93-F100 WeakPolarHBondContact O-CB 3.42Å; F93-F100 PolarHBondContact O-N 3.36Å; F93-I101 HydrophobicContact CB-CB 4.3Å; F93-I101 HydrophobicContact CB-CG1 4.48Å; F93-I101 PolarHBondContact N-O 3.07Å; F93-I101 PolarHBondContact O-N 2.56Å; F93-L193 HydrophobicContact CE2-CD1 3.73Å; F93-L193 HydrophobicContact CZ-CD1 4.03Å; F93-L199 HydrophobicContact CB-CD2 3.95Å; F93-L199 HydrophobicContact CD1-CB 4.05Å; F93-L199 HydrophobicContact CD1-CD2 3.89Å; F93-L199 HydrophobicContact CD2-CD2 4.17Å; F93-L199 HydrophobicContact CE1-CB 3.74Å; F93-L199 HydrophobicContact CE1-CD2 4.43Å; F93-L199 HydrophobicContact CE2-CB 4.31Å; F93-L199 HydrophobicContact CG-CB 4.46Å; F93-L199 HydrophobicContact CG-CD2 3.75Å; F93-L199 HydrophobicContact CZ-CB 3.88Å; F93-F297 HydrophobicContact CD1-CB 3.89Å; F93-F297 HydrophobicContact CE1-CB 3.97Å
94	A	98.3	Very high	97.4	Very high	14 Å²	14	15 Å²	15	12%	0.116	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	78.8	177.3	0	0	0	0	0	110.7	S46 F47 G97 V98	S46-A94 WeakPolarHBondContact CA-O 3.4Å; F47-A94 HydrophobicContact CB-CB 4.24Å; F47-A94 PolarHBondContact N-O 3.01Å; F47-A94 PolarHBondContact O-N 3.34Å; A94-G97 PolarHBondContact O-N 2.95Å; A94-V98 CarbonylContact C-O 3.53Å; A94-V98 WeakPolarHBondContact CA-O 3.3Å; A94-V98 WeakPolarHBondContact CB-O 3.4Å
95	P	97.7	Very high	97.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-63.5	135	176.4	22.8	-30	0	0	0	111.6	S46 F93 G97 V98 F100 Y247	S46-P95 WeakPolarHBondContact OG-CA 3.25Å; F93-P95 HydrophobicContact CD1-CG 4.08Å; F93-P95 HydrophobicContact CE1-CB 3.94Å; F93-P95 HydrophobicContact CE1-CG 3.65Å; F93-P95 HydrophobicContact CE2-CB 4.17Å; F93-P95 HydrophobicContact CE2-CG 4.47Å; F93-P95 HydrophobicContact CZ-CB 3.64Å; F93-P95 HydrophobicContact CZ-CG 3.88Å; P95-G97 PolarHBondContact O-N 3.33Å; P95-G97 VanDerWaalsContact O-N 3.16Å; P95-V98 PolarHBondContact O-N 2.96Å; P95-V98 VanDerWaalsContact O-N 3.07Å; P95-F100 HydrophobicContact CG-CB 4.16Å; P95-F100 HydrophobicContact CG-CD1 4.49Å; P95-Y247 HydrophobicContact CB-CD1 4.49Å; P95-Y247 HydrophobicContact CB-CE1 4.16Å; P95-Y247 HydrophobicContact CG-CD1 3.58Å; P95-Y247 HydrophobicContact CG-CE1 3.63Å
96	N	96	Very high	96.9	Very high	15 Å²	15	19.5 Å²	19.5	8%	0.08	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	58.1	19	-173.6	-48.6	-39.7	0	0	0	114	G42 N44 S45 S46 V98 Q197	G42-N96 CarbonylContact O-C 3.43Å; G42-N96 VanDerWaalsContact O-CA 3.28Å; G42-N96 WeakPolarHBondContact O-CA 3.2Å; N44-N96 PolarHBondContact N-OD1 3.37Å; S45-N96 CarbonylContact O-C 3.4Å; S45-N96 WeakPolarHBondContact O-CA 3.31Å; S46-N96 PolarHBondContact OG-N 2.93Å; S46-N96 VanDerWaalsContact OG-N 3.14Å; N96-V98 VanDerWaalsContact C-N 3.26Å; N96-V98 PolarHBondContact O-N 2.83Å; N96-Q197 PolarHBondContact ND2-OE1 2.91Å; N96-Q197 WeakPolarHBondContact OD1-CG 3.3Å; N96-Q197 PolarHBondContact OD1-NE2 2.95Å
97	G	95.4	Very high	96.7	Very high	32 Å²	32	19.6 Å²	19.6	33%	0.33	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	77.3	8.4	-175.3	0	0	0	0	0	114.1	S45 A94 P95	S45-G97 PolarHBondContact O-N 3.03Å; A94-G97 PolarHBondContact O-N 2.95Å; P95-G97 PolarHBondContact O-N 3.33Å; P95-G97 VanDerWaalsContact O-N 3.16Å
98	V	96.9	Very high	96.5	Very high	18 Å²	18	19.1 Å²	19.1	11%	0.109	11%	0.109	C	C	.	.			trans	-93.8	120.5	175.7	176.9	0	0	0	0	109.4	A94 P95 N96 F100 H242 Y247	A94-V98 CarbonylContact C-O 3.53Å; A94-V98 WeakPolarHBondContact CA-O 3.3Å; A94-V98 WeakPolarHBondContact CB-O 3.4Å; P95-V98 PolarHBondContact O-N 2.96Å; P95-V98 VanDerWaalsContact O-N 3.07Å; N96-V98 VanDerWaalsContact C-N 3.26Å; N96-V98 PolarHBondContact O-N 2.83Å; V98-F100 PolarHBondContact O-N 3.01Å; V98-H242 HydrophobicContact CG1-CB 3.94Å; V98-Y247 HydrophobicContact CB-CE1 4.13Å; V98-Y247 HydrophobicContact CB-CE2 4.15Å; V98-Y247 WeakPolarHBondContact CB-OH 3.43Å; V98-Y247 HydrophobicContact CG1-CD2 4.36Å; V98-Y247 HydrophobicContact CG1-CE1 4.45Å; V98-Y247 HydrophobicContact CG1-CE2 3.81Å; V98-Y247 HydrophobicContact CG2-CE2 4.42Å; V98-Y247 WeakPolarHBondContact CG2-OH 3.36Å
99	P	97.3	Very high	96.4	Very high	60 Å²	60	18.7 Å²	18.7	39%	0.39	11%	0.107	S	C	.	.			trans	-62.6	105.7	-179.3	-20.7	32.4	0	0	0	111.8	T102 N222	P99-T102 HydrophobicContact CB-CG2 3.56Å; P99-N222 PolarHBondContact O-ND2 3.36Å
100	F	98.6	Very high	96.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-97.9	-59.1	179.3	-180	-151.9	0	0	0	111.4	F93 P95 V98 N222 F227 V240 Y247 K248 M249 F297	F93-F100 HydrophobicContact CD1-CD1 4.3Å; F93-F100 WeakPolarHBondContact O-CB 3.42Å; F93-F100 PolarHBondContact O-N 3.36Å; P95-F100 HydrophobicContact CG-CB 4.16Å; P95-F100 HydrophobicContact CG-CD1 4.49Å; V98-F100 PolarHBondContact O-N 3.01Å; F100-N222 PolarHBondContact O-ND2 3.2Å; F100-F227 AromaticContact CE2-CE1 3.9Å; F100-F227 HydrophobicContact CE2-CE1 3.9Å; F100-V240 HydrophobicContact CD2-CG2 3.58Å; F100-V240 HydrophobicContact CE2-CG1 4.44Å; F100-V240 HydrophobicContact CE2-CG2 3.88Å; F100-Y247 HydrophobicContact CB-CD1 4.44Å; F100-Y247 VanDerWaalsContact CE2-O 3.31Å; F100-Y247 WeakPolarHBondContact CE2-O 3.42Å; F100-Y247 WeakPolarHBondContact CZ-O 3.37Å; F100-K248 WeakPolarHBondContact CE1-O 3.21Å; F100-K248 VanDerWaalsContact CZ-C 3.48Å; F100-M249 HydrophobicContact CE1-CB 4.33Å; F100-M249 HydrophobicContact CZ-CB 3.96Å; F100-M249 HydrophobicContact CZ-CG 4.21Å; F100-F297 HydrophobicContact CD1-CB 4.26Å; F100-F297 HydrophobicContact CD1-CD1 4.45Å; F100-F297 HydrophobicContact CE1-CB 3.85Å; F100-F297 AromaticContact CE1-CD1 3.86Å; F100-F297 HydrophobicContact CE1-CD1 3.86Å; F100-F297 HydrophobicContact CE1-CG 4.37Å; F100-F297 HydrophobicContact CZ-CD1 4.43Å
101	I	98.8	Very high	96.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-107.1	114.8	171.3	-52.7	-52.9	0	0	0	107.5	F91 T92 F93 N115 F220 H221 F227 M249 F297	F91-I101 HydrophobicContact CE1-CG2 4.42Å; F91-I101 HydrophobicContact CE2-CB 4.17Å; F91-I101 HydrophobicContact CE2-CG1 4.19Å; F91-I101 HydrophobicContact CE2-CG2 4.01Å; F91-I101 HydrophobicContact CZ-CB 4.42Å; F91-I101 HydrophobicContact CZ-CG1 4.26Å; F91-I101 HydrophobicContact CZ-CG2 3.93Å; T92-I101 CarbonylContact C-O 3.59Å; T92-I101 VanDerWaalsContact CA-O 3.29Å; T92-I101 WeakPolarHBondContact CA-O 3.24Å; T92-I101 VanDerWaalsContact CB-O 3.31Å; T92-I101 WeakPolarHBondContact CB-O 2.88Å; F93-I101 HydrophobicContact CB-CB 4.3Å; F93-I101 HydrophobicContact CB-CG1 4.48Å; F93-I101 PolarHBondContact N-O 3.07Å; F93-I101 PolarHBondContact O-N 2.56Å; I101-N115 HydrophobicContact CG2-CB 4.45Å; I101-F220 HydrophobicContact CD1-CB 4.24Å; I101-H221 CarbonylContact C-O 3.46Å; I101-H221 WeakPolarHBondContact CA-O 3.4Å; I101-F227 HydrophobicContact CD1-CE1 4.42Å; I101-F227 HydrophobicContact CD1-CZ 4.17Å; I101-M249 HydrophobicContact CD1-SD 4.39Å; I101-F297 HydrophobicContact CD1-CD1 3.88Å; I101-F297 HydrophobicContact CD1-CE1 3.8Å; I101-F297 HydrophobicContact CG1-CD1 3.75Å; I101-F297 HydrophobicContact CG1-CE1 3.84Å
102	T	98.4	Very high	96.2	Very high	14 Å²	14	20.9 Å²	20.9	9%	0.086	12%	0.116	C	C	.	.			trans	-116.4	159.5	-172.9	76.7	0	0	0	0	111.3	P99 N115 H221 N222 T223	P99-T102 HydrophobicContact CB-CG2 3.56Å; T102-N115 PolarHBondContact O-ND2 3.07Å; T102-H221 PolarHBondContact N-O 2.91Å; T102-H221 WeakPolarHBondContact O-CB 3.41Å; T102-N222 WeakPolarHBondContact OG1-CA 3.03Å; T102-T223 PolarHBondContact OG1-N 2.98Å; T102-T223 PolarHBondContact OG1-OG1 3.04Å
103	E	95.8	Very high	96.1	Very high	53 Å²	53	20.2 Å²	20.2	25%	0.248	11%	0.112	C	C	.	.			trans	-67.7	157.8	159.9	-71.7	-58.2	156.3	0	0	110.1	S90 T92 L105 T223	S90-E103 PolarHBondContact OG-OE1 2.84Å; S90-E103 VanDerWaalsContact OG-OE1 3.07Å; T92-E103 HydrophobicContact CG2-CB 4.49Å; T92-E103 HydrophobicContact CG2-CG 3.67Å; E103-L105 VanDerWaalsContact C-N 3.3Å; E103-L105 PolarHBondContact O-N 2.89Å; E103-T223 WeakPolarHBondContact O-CG2 3.41Å
104	A	89.9	Confident	96.1	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.008	11%	0.112	C	C	.	.			trans	-88.7	11	-179.6	0	0	0	0	0	114.2	L113 Y268	A104-L113 HydrophobicContact CB-CB 4.46Å; A104-L113 WeakPolarHBondContact CB-O 3.2Å; A104-Y268 WeakPolarHBondContact CB-OH 3.49Å; A104-Y268 PolarHBondContact O-OH 2.84Å
105	L	91.9	Very high	96.1	Very high	75 Å²	75	19.6 Å²	19.6	39%	0.393	11%	0.107	S	C	.	.			trans	59.1	-164.1	179.1	-53.4	172.2	0	0	0	113.2	H85 E103 G107 T223 Y274	H85-L105 PolarHBondContact CE1-O 3.19Å; H85-L105 VanDerWaalsContact CE1-O 3.31Å; E103-L105 VanDerWaalsContact C-N 3.3Å; E103-L105 PolarHBondContact O-N 2.89Å; L105-G107 PolarHBondContact O-N 3.09Å; L105-G107 VanDerWaalsContact O-N 3.09Å; L105-T223 HydrophobicContact CD1-CG2 4.2Å; L105-T223 HydrophobicContact CG-CG2 4.12Å; L105-Y274 HydrophobicContact CB-CD2 3.72Å; L105-Y274 HydrophobicContact CB-CE2 3.81Å; L105-Y274 HydrophobicContact CB-CG 4.1Å; L105-Y274 HydrophobicContact CD1-CD1 3.64Å; L105-Y274 HydrophobicContact CD1-CD2 4.32Å; L105-Y274 HydrophobicContact CD1-CE1 3.57Å; L105-Y274 HydrophobicContact CD1-CE2 4.26Å; L105-Y274 HydrophobicContact CD1-CG 4.03Å
106	Y	91.6	Very high	96.1	Very high	87 Å²	87	19.6 Å²	19.6	34%	0.341	11%	0.107	S	C	.	.	S	Bend	trans	-69.4	107.3	-175.2	-168.6	-88.1	0	0	0	111.5	H83 Y272 P273	H83-Y106 AromaticContact ND1-CE2 3.78Å; Y106-Y272 AromaticContact CD1-CD1 3.61Å; Y106-Y272 HydrophobicContact CD1-CD1 3.61Å; Y106-Y272 HydrophobicContact CD1-CE1 4.11Å; Y106-Y272 AromaticContact CE1-CD1 3.67Å; Y106-Y272 HydrophobicContact CE1-CD1 3.67Å; Y106-Y272 AromaticContact CE1-CE1 3.82Å; Y106-Y272 HydrophobicContact CE1-CE1 3.82Å; Y106-P273 HydrophobicContact CD1-CG 4.15Å
107	G	93	Very high	96.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.01	10%	0.103	C	C	.	.			trans	-146.5	-175.2	-175.9	0	0	0	0	0	114.4	L105 K109 Y272	L105-G107 PolarHBondContact O-N 3.09Å; L105-G107 VanDerWaalsContact O-N 3.09Å; G107-K109 PolarHBondContact O-NZ 2.91Å; G107-Y272 WeakPolarHBondContact O-CE1 3.29Å
108	P	94.6	Very high	96.3	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.026	9%	0.088	C	C	.	.			trans	-54.5	154.3	170.7	-23.9	33.8	0	0	0	112.7	Y110 L113 Y268 P269 Y272	P108-Y110 HydrophobicContact CB-CD1 4.14Å; P108-Y110 HydrophobicContact CB-CD2 3.56Å; P108-Y110 HydrophobicContact CB-CE1 3.95Å; P108-Y110 HydrophobicContact CB-CE2 3.37Å; P108-Y110 HydrophobicContact CB-CG 3.95Å; P108-Y110 HydrophobicContact CG-CD2 4.3Å; P108-Y110 HydrophobicContact CG-CE2 3.93Å; P108-Y110 PolarHBondContact O-N 3.37Å; P108-L113 HydrophobicContact CB-CD1 4.08Å; P108-L113 HydrophobicContact CG-CD1 4.21Å; P108-Y268 HydrophobicContact CG-CD1 4.34Å; P108-P269 VanDerWaalsContact CG-CD 3.46Å; P108-P269 HydrophobicContact CG-CG 4.02Å; P108-Y272 WeakPolarHBondContact CA-OH 3.2Å; P108-Y272 HydrophobicContact CG-CE2 3.91Å
109	K	96.1	Very high	96.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-88.8	55.7	-173	-59.2	-73.3	173.1	-93.1	0	111	G82 E84 H85 G107 E137 A138 K142 L144	G82-K109 WeakPolarHBondContact O-CE 3.37Å; E84-K109 WeakPolarHBondContact O-CD 3.34Å; E84-K109 VanDerWaalsContact O-CE 3.26Å; E84-K109 WeakPolarHBondContact O-CE 3.42Å; H85-K109 PolarHBondContact CD2-NZ 3.37Å; H85-K109 PolarHBondContact NE2-NZ 2.91Å; G107-K109 PolarHBondContact O-NZ 2.91Å; K109-E137 WeakPolarHBondContact O-CA 3.39Å; K109-A138 HydrophobicContact CB-CB 4.14Å; K109-A138 PolarHBondContact O-N 3.35Å; K109-K142 WeakPolarHBondContact CE-O 3.24Å; K109-K142 WeakPolarHBondContact CG-O 3.32Å; K109-L144 HydrophobicContact CB-CD1 4.24Å; K109-L144 HydrophobicContact CD-CB 4.21Å; K109-L144 HydrophobicContact CD-CD1 4.2Å
110	Y	97	Very high	96.3	Very high	38 Å²	38	14.4 Å²	14.4	15%	0.149	7%	0.07	C	C	.	.			trans	-103.6	136.6	-177.7	-56.2	-24.7	0	0	0	110.6	P86 P108 L112 L113 N114 F128 A138 C139 W266	P86-Y110 VanDerWaalsContact CG-C 3.43Å; P108-Y110 HydrophobicContact CB-CD1 4.14Å; P108-Y110 HydrophobicContact CB-CD2 3.56Å; P108-Y110 HydrophobicContact CB-CE1 3.95Å; P108-Y110 HydrophobicContact CB-CE2 3.37Å; P108-Y110 HydrophobicContact CB-CG 3.95Å; P108-Y110 HydrophobicContact CG-CD2 4.3Å; P108-Y110 HydrophobicContact CG-CE2 3.93Å; P108-Y110 PolarHBondContact O-N 3.37Å; Y110-L112 VanDerWaalsContact C-N 3.28Å; Y110-L112 PolarHBondContact O-N 3.01Å; Y110-L113 HydrophobicContact CD2-CD1 3.84Å; Y110-L113 HydrophobicContact CD2-CG 4.36Å; Y110-L113 HydrophobicContact CG-CD1 4.3Å; Y110-L113 PolarHBondContact O-N 3.44Å; Y110-N114 PolarHBondContact O-ND2 3.43Å; Y110-N114 VanDerWaalsContact O-ND2 3.08Å; Y110-F128 AromaticContact CD1-CE2 3.82Å; Y110-F128 HydrophobicContact CD1-CE2 3.82Å; Y110-F128 AromaticContact CD1-CZ 3.79Å; Y110-F128 HydrophobicContact CD1-CZ 3.79Å; Y110-F128 HydrophobicContact CD2-CE2 4.06Å; Y110-F128 AromaticContact CD2-CZ 3.47Å; Y110-F128 HydrophobicContact CD2-CZ 3.47Å; Y110-F128 VanDerWaalsContact CD2-CZ 3.47Å; Y110-F128 HydrophobicContact CE1-CE2 4.48Å; Y110-F128 HydrophobicContact CE1-CZ 4.09Å; Y110-F128 AromaticContact CE2-CZ 3.78Å; Y110-F128 HydrophobicContact CE2-CZ 3.78Å; Y110-F128 AromaticContact CG-CE2 3.59Å; Y110-F128 HydrophobicContact CG-CE2 3.59Å; Y110-F128 AromaticContact CG-CZ 3.48Å; Y110-F128 HydrophobicContact CG-CZ 3.48Å; Y110-F128 VanDerWaalsContact CG-CZ 3.48Å; Y110-A138 WeakPolarHBondContact CD1-O 3.25Å; Y110-A138 WeakPolarHBondContact CE1-O 3.46Å; Y110-C139 PolarHBondContact OH-O 2.99Å; Y110-W266 HydrophobicContact CD2-CZ2 4.44Å; Y110-W266 HydrophobicContact CE2-CZ2 4.45Å
111	T	97.6	Very high	95.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-62.8	-38.9	179.1	-49.9	0	0	0	0	110.8	L113 N114 V116 L118 G133 Q134 E137	T111-L113 PolarHBondContact O-N 2.83Å; T111-N114 PolarHBondContact O-N 2.94Å; T111-N114 VanDerWaalsContact O-N 3.08Å; T111-V116 HydrophobicContact CG2-CG2 3.47Å; T111-V116 VanDerWaalsContact CG2-CG2 3.47Å; T111-V116 VanDerWaalsContact O-CG2 3.28Å; T111-V116 WeakPolarHBondContact O-CG2 3.18Å; T111-L118 HydrophobicContact CG2-CD1 3.88Å; T111-L118 HydrophobicContact CG2-CG 4.06Å; T111-G133 VanDerWaalsContact OG1-CA 3.29Å; T111-G133 WeakPolarHBondContact OG1-CA 3.42Å; T111-Q134 HydrophobicContact CG2-CB 4.46Å; T111-Q134 HydrophobicContact CG2-CG 4.07Å; T111-Q134 PolarHBondContact OG1-N 3.35Å; T111-E137 WeakPolarHBondContact CB-OE1 3.49Å; T111-E137 PolarHBondContact N-OE1 3.19Å; T111-E137 PolarHBondContact OG1-OE1 3.07Å
112	L	97	Very high	94.8	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.042	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-66.9	-5.6	179.4	68.3	78.1	0	0	0	114.9	Y110 L118 F128 F219 H221 W266	Y110-L112 VanDerWaalsContact C-N 3.28Å; Y110-L112 PolarHBondContact O-N 3.01Å; L112-L118 HydrophobicContact CB-CD1 4.11Å; L112-L118 HydrophobicContact CB-CD2 4.36Å; L112-F128 HydrophobicContact CD2-CB 4.26Å; L112-F128 HydrophobicContact CD2-CD1 3.68Å; L112-F128 HydrophobicContact CD2-CD2 3.45Å; L112-F128 VanDerWaalsContact CD2-CD2 3.45Å; L112-F128 HydrophobicContact CD2-CE1 3.84Å; L112-F128 HydrophobicContact CD2-CE2 3.62Å; L112-F128 HydrophobicContact CD2-CG 3.49Å; L112-F128 VanDerWaalsContact CD2-CG 3.49Å; L112-F128 HydrophobicContact CD2-CZ 3.82Å; L112-F128 HydrophobicContact CG-CD2 4.21Å; L112-F128 HydrophobicContact CG-CE2 4.07Å; L112-F128 HydrophobicContact CG-CZ 4.39Å; L112-F219 HydrophobicContact CB-CD1 4.18Å; L112-F219 HydrophobicContact CB-CD2 4.29Å; L112-F219 HydrophobicContact CB-CE1 3.85Å; L112-F219 HydrophobicContact CB-CE2 3.99Å; L112-F219 HydrophobicContact CB-CG 4.39Å; L112-F219 HydrophobicContact CB-CZ 3.74Å; L112-F219 WeakPolarHBondContact O-CD1 3.47Å; L112-H221 PolarHBondContact O-CE1 2.91Å; L112-H221 VanDerWaalsContact O-CE1 3.3Å; L112-H221 PolarHBondContact O-NE2 2.89Å; L112-W266 HydrophobicContact CD1-CD2 3.86Å; L112-W266 HydrophobicContact CD1-CE3 3.82Å; L112-W266 HydrophobicContact CD1-CG 4.47Å; L112-W266 HydrophobicContact CD1-CH2 4.22Å; L112-W266 HydrophobicContact CD1-CZ2 4.27Å; L112-W266 HydrophobicContact CD1-CZ3 4Å; L112-W266 HydrophobicContact CD2-CH2 3.98Å; L112-W266 HydrophobicContact CD2-CZ3 4.04Å
113	L	97.4	Very high	93.8	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-96	5	175.1	-68.1	179.3	0	0	0	112.6	A104 P108 Y110 T111 W266 Y268	A104-L113 HydrophobicContact CB-CB 4.46Å; A104-L113 WeakPolarHBondContact CB-O 3.2Å; P108-L113 HydrophobicContact CB-CD1 4.08Å; P108-L113 HydrophobicContact CG-CD1 4.21Å; Y110-L113 HydrophobicContact CD2-CD1 3.84Å; Y110-L113 HydrophobicContact CD2-CG 4.36Å; Y110-L113 HydrophobicContact CG-CD1 4.3Å; Y110-L113 PolarHBondContact O-N 3.44Å; T111-L113 PolarHBondContact O-N 2.83Å; L113-W266 HydrophobicContact CD2-CB 4.03Å; L113-W266 HydrophobicContact CD2-CD2 4.49Å; L113-W266 HydrophobicContact CD2-CG 3.8Å; L113-Y268 HydrophobicContact CD1-CD1 4.3Å; L113-Y268 HydrophobicContact CD1-CE1 3.55Å; L113-Y268 HydrophobicContact CD2-CE1 3.82Å; L113-Y268 HydrophobicContact CG-CE1 4.3Å
114	N	98.4	Very high	92.7	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.143	C	C	.	.	S	Bend	trans	-121	159.8	176.4	-49.5	-75.7	0	0	0	109	H85 P86 D87 Y110 T111 V116	H85-N114 PolarHBondContact ND1-OD1 3.01Å; P86-N114 PolarHBondContact O-ND2 2.82Å; P86-N114 VanDerWaalsContact O-ND2 3.11Å; D87-N114 HydrophobicContact CB-CB 3.86Å; Y110-N114 PolarHBondContact O-ND2 3.43Å; Y110-N114 VanDerWaalsContact O-ND2 3.08Å; T111-N114 PolarHBondContact O-N 2.94Å; T111-N114 VanDerWaalsContact O-N 3.08Å; N114-V116 HydrophobicContact CB-CG1 4.19Å; N114-V116 HydrophobicContact CB-CG2 4.14Å; N114-V116 PolarHBondContact O-N 2.86Å
115	N	98.6	Very high	92	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	17%	0.173	C	C	.	.	S	Bend	trans	-75.3	59.2	-179	-60.9	-45.7	0	0	0	111.9	F91 I101 T102 R189 F219 F220 H221	F91-N115 HydrophobicContact CD1-CB 4.3Å; F91-N115 HydrophobicContact CE1-CB 4.45Å; F91-N115 PolarHBondContact O-ND2 2.86Å; I101-N115 HydrophobicContact CG2-CB 4.45Å; T102-N115 PolarHBondContact O-ND2 3.07Å; N115-R189 PolarHBondContact O-NH1 2.92Å; N115-F219 CarbonylContact C-O 3.53Å; N115-F219 VanDerWaalsContact CA-O 3.24Å; N115-F219 WeakPolarHBondContact CA-O 3.39Å; N115-F220 WeakPolarHBondContact OD1-CA 3.47Å; N115-H221 WeakPolarHBondContact OD1-CB 3.31Å; N115-H221 PolarHBondContact OD1-CD2 3.39Å; N115-H221 PolarHBondContact OD1-N 3.49Å
116	V	98.6	Very high	91.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-130.7	179.5	-170.7	-60.3	0	0	0	0	111.3	Q88 T111 N114 F219	Q88-V116 VanDerWaalsContact O-CG1 3.29Å; Q88-V116 WeakPolarHBondContact O-CG1 3.38Å; T111-V116 HydrophobicContact CG2-CG2 3.47Å; T111-V116 VanDerWaalsContact CG2-CG2 3.47Å; T111-V116 VanDerWaalsContact O-CG2 3.28Å; T111-V116 WeakPolarHBondContact O-CG2 3.18Å; N114-V116 HydrophobicContact CB-CG1 4.19Å; N114-V116 HydrophobicContact CB-CG2 4.14Å; N114-V116 PolarHBondContact O-N 2.86Å; V116-F219 PolarHBondContact O-N 3.09Å
117	A	98	Very high	91.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	146.2	175.8	0	0	0	0	0	112.2	F119 Y178 F187 M216 S217	A117-F119 HydrophobicContact CB-CE2 4.5Å; A117-F119 HydrophobicContact CB-CZ 4.31Å; A117-Y178 VanDerWaalsContact O-CE1 3.32Å; A117-Y178 WeakPolarHBondContact O-CE1 3.49Å; A117-Y178 PolarHBondContact O-OH 3.05Å; A117-F187 HydrophobicContact CB-CE1 4.11Å; A117-F187 HydrophobicContact CB-CE2 4.43Å; A117-F187 HydrophobicContact CB-CZ 3.65Å; A117-M216 HydrophobicContact CB-CE 4.21Å; A117-S217 CarbonylContact C-O 3.59Å; A117-S217 WeakPolarHBondContact CA-O 3.45Å
118	L	97.9	Very high	91.5	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	153.8	164	-73.8	82.5	0	0	0	109.2	T111 L112 W131 M216 S217 F219	T111-L118 HydrophobicContact CG2-CD1 3.88Å; T111-L118 HydrophobicContact CG2-CG 4.06Å; L112-L118 HydrophobicContact CB-CD1 4.11Å; L112-L118 HydrophobicContact CB-CD2 4.36Å; L118-W131 HydrophobicContact CB-CB 4.15Å; L118-W131 HydrophobicContact CB-CE3 4.38Å; L118-W131 HydrophobicContact CD2-CB 3.75Å; L118-M216 CarbonylContact O-C 3.51Å; L118-M216 VanDerWaalsContact O-CA 3.26Å; L118-M216 WeakPolarHBondContact O-CA 3.25Å; L118-S217 PolarHBondContact N-O 2.92Å; L118-S217 PolarHBondContact O-N 2.89Å; L118-F219 HydrophobicContact CD1-CD2 3.66Å; L118-F219 HydrophobicContact CD1-CE2 3.67Å
119	F	97.7	Very high	91.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.4	-177.2	-65.1	-76	0	0	0	111.2	A117 S121 A132 Y178 L182 I184 F187 I205 M216 L286	A117-F119 HydrophobicContact CB-CE2 4.5Å; A117-F119 HydrophobicContact CB-CZ 4.31Å; F119-S121 PolarHBondContact O-N 3.4Å; F119-A132 PolarHBondContact N-O 2.92Å; F119-A132 PolarHBondContact O-N 2.81Å; F119-Y178 AromaticContact CD2-CD1 3.64Å; F119-Y178 HydrophobicContact CD2-CD1 3.64Å; F119-Y178 AromaticContact CD2-CE1 3.64Å; F119-Y178 HydrophobicContact CD2-CE1 3.64Å; F119-Y178 HydrophobicContact CD2-CG 4.27Å; F119-Y178 AromaticContact CE2-CD1 3.79Å; F119-Y178 HydrophobicContact CE2-CD1 3.79Å; F119-Y178 HydrophobicContact CE2-CD2 4.28Å; F119-Y178 AromaticContact CE2-CE1 3.57Å; F119-Y178 HydrophobicContact CE2-CE1 3.57Å; F119-Y178 HydrophobicContact CE2-CE2 4.13Å; F119-Y178 HydrophobicContact CE2-CG 4.13Å; F119-Y178 AromaticContact CE2-CZ 3.76Å; F119-L182 HydrophobicContact CB-CD1 4.13Å; F119-L182 HydrophobicContact CB-CD2 4.49Å; F119-L182 HydrophobicContact CD2-CD1 4.36Å; F119-I184 HydrophobicContact CB-CD1 4.44Å; F119-I184 HydrophobicContact CD1-CD1 3.88Å; F119-I184 HydrophobicContact CD2-CD1 3.49Å; F119-I184 VanDerWaalsContact CD2-CD1 3.49Å; F119-I184 HydrophobicContact CE1-CD1 3.94Å; F119-I184 HydrophobicContact CE2-CD1 3.55Å; F119-I184 HydrophobicContact CG-CD1 3.65Å; F119-I184 HydrophobicContact CZ-CD1 3.79Å; F119-F187 HydrophobicContact CE2-CD1 4.3Å; F119-F187 HydrophobicContact CE2-CE1 4.49Å; F119-F187 HydrophobicContact CZ-CD1 4.18Å; F119-F187 HydrophobicContact CZ-CD2 4.44Å; F119-F187 HydrophobicContact CZ-CE1 4.39Å; F119-F187 HydrophobicContact CZ-CG 4.21Å; F119-I205 HydrophobicContact CE1-CG1 4.13Å; F119-I205 HydrophobicContact CE1-CG2 4.25Å; F119-I205 HydrophobicContact CZ-CG1 4.43Å; F119-M216 HydrophobicContact CD1-CB 4.01Å; F119-M216 HydrophobicContact CE1-CB 4.01Å; F119-L286 HydrophobicContact CD1-CD1 3.94Å; F119-L286 HydrophobicContact CE1-CD1 4.32Å
120	G	94.9	Very high	91.2	Very high	13 Å²	13	36.1 Å²	36.1	13%	0.134	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	130.9	174.6	0	0	0	0	0	109.8	T213 A215	G120-T213 PolarHBondContact N-OG1 3.49Å; G120-T213 WeakPolarHBondContact O-CA 3.25Å; G120-T213 VanDerWaalsContact O-CB 3.24Å; G120-T213 WeakPolarHBondContact O-CB 3.36Å; G120-T213 PolarHBondContact O-OG1 3.45Å; G120-A215 PolarHBondContact N-O 3.07Å
121	S	87.1	Confident	91.1	Very high	14 Å²	14	36.9 Å²	36.9	10%	0.098	23%	0.225	C	C	.	.			trans	-153.4	144.5	-169.3	-173.2	0	0	0	0	112.5	F119 L123 P130	F119-S121 PolarHBondContact O-N 3.4Å; S121-L123 VanDerWaalsContact OG-CB 3.24Å; S121-L123 WeakPolarHBondContact OG-CB 3.28Å; S121-L123 WeakPolarHBondContact OG-CD1 3.29Å; S121-L123 WeakPolarHBondContact OG-CG 3.31Å; S121-L123 PolarHBondContact OG-N 3.03Å; S121-L123 VanDerWaalsContact OG-N 3.08Å; S121-P130 PolarHBondContact N-O 2.8Å
122	T	79.4	Confident	91	Very high	138 Å²	138	37.1 Å²	37.1	85%	0.847	23%	0.227	S	C	*	.			trans	-96.4	4.9	169.2	53.8	0	0	0	0	112.4
123	L	78.2	Confident	91	Very high	27 Å²	27	37.2 Å²	37.2	14%	0.141	23%	0.229	C	C	.	.			trans	-61.5	137.3	-178.2	-65.5	172.8	0	0	0	111.9	S121 N179 E181 L182	S121-L123 VanDerWaalsContact OG-CB 3.24Å; S121-L123 WeakPolarHBondContact OG-CB 3.28Å; S121-L123 WeakPolarHBondContact OG-CD1 3.29Å; S121-L123 WeakPolarHBondContact OG-CG 3.31Å; S121-L123 PolarHBondContact OG-N 3.03Å; S121-L123 VanDerWaalsContact OG-N 3.08Å; L123-N179 HydrophobicContact CD1-CB 4.16Å; L123-E181 HydrophobicContact CD1-CB 4.18Å; L123-E181 HydrophobicContact CD2-CB 3.82Å; L123-E181 HydrophobicContact CD2-CG 4.5Å; L123-E181 WeakPolarHBondContact CD2-OE2 3.26Å; L123-L182 HydrophobicContact CD1-CD2 3.89Å; L123-L182 HydrophobicContact CD1-CG 4.12Å
124	S	72.2	Confident	91	Very high	112 Å²	112	37.2 Å²	37.2	78%	0.783	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	151	170.5	53.7	0	0	0	0	110.6
125	G	75.3	Confident	91	Very high	62 Å²	62	38.5 Å²	38.5	64%	0.639	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-1.8	176.3	0	0	0	0	0	116.9
126	S	85.1	Confident	90.9	Very high	24 Å²	24	38.8 Å²	38.8	17%	0.168	24%	0.239	C	C	.	.			trans	-69.9	137.6	172.1	-55.8	0	0	0	0	111.6	F128 W131	S126-F128 PolarHBondContact O-N 3Å; S126-W131 VanDerWaalsContact CB-O 3.28Å; S126-W131 WeakPolarHBondContact CB-O 3.39Å
127	C	89.8	Confident	90.7	Very high	32 Å²	32	39.2 Å²	39.2	22%	0.216	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-34.8	-178.9	-54.7	0	0	0	0	112.7	E137 C139	C127-E137 VanDerWaalsContact SG-CG 3.6Å; C127-E137 PolarHBondContact SG-OE2 2.87Å; C127-E137 VanDerWaalsContact SG-OE2 3.42Å; C127-C139 WeakPolarHBondContact CA-SG 3.17Å; C127-C139 HydrophobicContact CB-CB 3.83Å; C127-C139 WeakPolarHBondContact CB-SG 3.47Å; C127-C139 WeakPolarHBondContact SG-CA 3.08Å; C127-C139 WeakPolarHBondContact SG-CB 3.01Å; C127-C139 PolarHBondContact SG-N 2.77Å; C127-C139 VanDerWaalsContact SG-N 3.41Å; C127-C139 CovalentContact SG-SG 2.02Å; C127-C139 PolarHBondContact SG-SG 2.81Å
128	F	91.5	Very high	90.5	Very high	43 Å²	43	39.2 Å²	39.2	19%	0.189	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-124.9	61.4	-168.1	-57	-71.9	0	0	0	112.2	Y110 L112 S126 W131 W266	Y110-F128 AromaticContact CD1-CE2 3.82Å; Y110-F128 HydrophobicContact CD1-CE2 3.82Å; Y110-F128 AromaticContact CD1-CZ 3.79Å; Y110-F128 HydrophobicContact CD1-CZ 3.79Å; Y110-F128 HydrophobicContact CD2-CE2 4.06Å; Y110-F128 AromaticContact CD2-CZ 3.47Å; Y110-F128 HydrophobicContact CD2-CZ 3.47Å; Y110-F128 VanDerWaalsContact CD2-CZ 3.47Å; Y110-F128 HydrophobicContact CE1-CE2 4.48Å; Y110-F128 HydrophobicContact CE1-CZ 4.09Å; Y110-F128 AromaticContact CE2-CZ 3.78Å; Y110-F128 HydrophobicContact CE2-CZ 3.78Å; Y110-F128 AromaticContact CG-CE2 3.59Å; Y110-F128 HydrophobicContact CG-CE2 3.59Å; Y110-F128 AromaticContact CG-CZ 3.48Å; Y110-F128 HydrophobicContact CG-CZ 3.48Å; Y110-F128 VanDerWaalsContact CG-CZ 3.48Å; L112-F128 HydrophobicContact CD2-CB 4.26Å; L112-F128 HydrophobicContact CD2-CD1 3.68Å; L112-F128 HydrophobicContact CD2-CD2 3.45Å; L112-F128 VanDerWaalsContact CD2-CD2 3.45Å; L112-F128 HydrophobicContact CD2-CE1 3.84Å; L112-F128 HydrophobicContact CD2-CE2 3.62Å; L112-F128 HydrophobicContact CD2-CG 3.49Å; L112-F128 VanDerWaalsContact CD2-CG 3.49Å; L112-F128 HydrophobicContact CD2-CZ 3.82Å; L112-F128 HydrophobicContact CG-CD2 4.21Å; L112-F128 HydrophobicContact CG-CE2 4.07Å; L112-F128 HydrophobicContact CG-CZ 4.39Å; S126-F128 PolarHBondContact O-N 3Å; F128-W131 WeakPolarHBondContact O-CA 3.5Å; F128-W131 VanDerWaalsContact O-CB 3.23Å; F128-W131 WeakPolarHBondContact O-CB 3.3Å; F128-W131 PolarHBondContact O-N 2.64Å; F128-W266 HydrophobicContact CD1-CH2 4.11Å; F128-W266 AromaticContact CE1-CH2 3.62Å; F128-W266 HydrophobicContact CE1-CH2 3.62Å; F128-W266 AromaticContact CE1-CZ2 3.78Å; F128-W266 HydrophobicContact CE1-CZ2 3.78Å; F128-W266 HydrophobicContact CZ-CH2 4.37Å; F128-W266 HydrophobicContact CZ-CZ2 4.2Å
129	K	89.8	Confident	90.2	Very high	159 Å²	159	41.4 Å²	41.4	69%	0.691	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	138.2	178.9	-65.1	-174	-178.2	-179.7	0	111.7	W131	K129-W131 VanDerWaalsContact C-N 3.34Å
130	P	93	Very high	89.6	Confident	82 Å²	82	48.5 Å²	48.5	53%	0.532	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88	18	5.9	37.8	-37.9	0	0	0	114.3	S121	S121-P130 PolarHBondContact N-O 2.8Å
131	W	95.9	Very high	89	Confident	54 Å²	54	50.1 Å²	50.1	21%	0.205	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.1	-175.1	-54.3	103	0	0	0	112	L118 S126 F128 K129 A215 T283	L118-W131 HydrophobicContact CB-CB 4.15Å; L118-W131 HydrophobicContact CB-CE3 4.38Å; L118-W131 HydrophobicContact CD2-CB 3.75Å; S126-W131 VanDerWaalsContact CB-O 3.28Å; S126-W131 WeakPolarHBondContact CB-O 3.39Å; F128-W131 WeakPolarHBondContact O-CA 3.5Å; F128-W131 VanDerWaalsContact O-CB 3.23Å; F128-W131 WeakPolarHBondContact O-CB 3.3Å; F128-W131 PolarHBondContact O-N 2.64Å; K129-W131 VanDerWaalsContact C-N 3.34Å; W131-A215 HydrophobicContact CH2-CB 4.03Å; W131-A215 HydrophobicContact CZ3-CB 4.13Å; W131-T283 HydrophobicContact CH2-CG2 3.69Å; W131-T283 HydrophobicContact CZ2-CG2 4.14Å
132	A	96.1	Very high	88.9	Confident	5 Å²	5	54.2 Å²	54.2	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.7	167.2	0	0	0	0	0	109.7	F119 L182	F119-A132 PolarHBondContact N-O 2.92Å; F119-A132 PolarHBondContact O-N 2.81Å; A132-L182 HydrophobicContact CB-CD1 4.37Å; A132-L182 HydrophobicContact CB-CD2 4.3Å
133	G	96.5	Very high	89.4	Confident	9 Å²	9	52.6 Å²	52.6	9%	0.093	30%	0.297	C	S	.	.			trans	-90.8	-157.4	172.7	0	0	0	0	0	113.3	T111 Y178	T111-G133 VanDerWaalsContact OG1-CA 3.29Å; T111-G133 WeakPolarHBondContact OG1-CA 3.42Å; G133-Y178 WeakPolarHBondContact O-CD1 3.23Å
134	Q	97.7	Very high	90.2	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.019	29%	0.292	C	S	.	.			trans	-74.2	152.3	174.8	-66	-180	12.2	0	0	110.7	P86 Q88 T111 T136 E137 A177 Y178	P86-Q134 HydrophobicContact CB-CB 3.98Å; Q88-Q134 VanDerWaalsContact N-OE1 3.08Å; Q88-Q134 PolarHBondContact O-NE2 3.24Å; T111-Q134 HydrophobicContact CG2-CB 4.46Å; T111-Q134 HydrophobicContact CG2-CG 4.07Å; T111-Q134 PolarHBondContact OG1-N 3.35Å; Q134-T136 PolarHBondContact O-N 2.89Å; Q134-T136 VanDerWaalsContact O-N 3.09Å; Q134-E137 WeakPolarHBondContact O-CB 3.28Å; Q134-E137 PolarHBondContact O-N 3.04Å; Q134-A177 CarbonylContact C-O 3.26Å; Q134-A177 WeakPolarHBondContact CA-O 3.44Å; Q134-A177 HydrophobicContact CB-CB 4.48Å; Q134-A177 VanDerWaalsContact CB-O 3.27Å; Q134-A177 WeakPolarHBondContact CB-O 3.41Å; Q134-A177 HydrophobicContact CG-CB 4.02Å; Q134-Y178 HydrophobicContact CG-CD1 4.26Å; Q134-Y178 HydrophobicContact CG-CE1 3.77Å; Q134-Y178 HydrophobicContact CG-CE2 4.04Å; Q134-Y178 PolarHBondContact NE2-OH 2.97Å
135	V	96.8	Very high	91.3	Very high	28 Å²	28	50.4 Å²	50.4	17%	0.17	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.7	-173.1	-64.8	0	0	0	0	113.8	E137 L150 A151 A154 A177 N179	V135-E137 VanDerWaalsContact C-N 3.3Å; V135-L150 HydrophobicContact CB-CB 4.13Å; V135-L150 HydrophobicContact CG1-CB 4.09Å; V135-L150 HydrophobicContact CG1-CD1 4.35Å; V135-L150 HydrophobicContact CG2-CB 4.34Å; V135-L150 WeakPolarHBondContact CG2-O 3.38Å; V135-A151 WeakPolarHBondContact O-CB 3.35Å; V135-A154 HydrophobicContact CG2-CB 3.67Å; V135-A177 PolarHBondContact N-O 2.91Å; V135-N179 HydrophobicContact CG1-CB 4.05Å
136	T	96.8	Very high	92.2	Very high	6 Å²	6	48.1 Å²	48.1	4%	0.037	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.8	177.1	56.3	0	0	0	0	113.3	Q134 L144 K145 A151 A154	Q134-T136 PolarHBondContact O-N 2.89Å; Q134-T136 VanDerWaalsContact O-N 3.09Å; T136-L144 HydrophobicContact CG2-CD2 4.27Å; T136-L144 WeakPolarHBondContact O-CD1 3.44Å; T136-L144 WeakPolarHBondContact O-CG 3.32Å; T136-K145 WeakPolarHBondContact CA-O 3.48Å; T136-K145 WeakPolarHBondContact CB-O 3.22Å; T136-K145 PolarHBondContact O-N 3.09Å; T136-A151 HydrophobicContact CG2-CB 4.45Å; T136-A154 HydrophobicContact CG2-CB 3.5Å
137	E	95.4	Very high	92.6	Very high	9 Å²	9	52 Å²	52	4%	0.042	26%	0.259	C	S	.	.			trans	-58	135	179.5	-175.2	172.9	-103.1	0	0	113	K109 T111 C127 Q134 V135 K145	K109-E137 WeakPolarHBondContact O-CA 3.39Å; T111-E137 WeakPolarHBondContact CB-OE1 3.49Å; T111-E137 PolarHBondContact N-OE1 3.19Å; T111-E137 PolarHBondContact OG1-OE1 3.07Å; C127-E137 VanDerWaalsContact SG-CG 3.6Å; C127-E137 PolarHBondContact SG-OE2 2.87Å; C127-E137 VanDerWaalsContact SG-OE2 3.42Å; Q134-E137 WeakPolarHBondContact O-CB 3.28Å; Q134-E137 PolarHBondContact O-N 3.04Å; V135-E137 VanDerWaalsContact C-N 3.3Å; E137-K145 WeakPolarHBondContact O-CD 3.39Å; E137-K145 WeakPolarHBondContact O-CE 3.42Å; E137-K145 PolarHBondContact O-NZ 2.97Å
138	A	93.8	Very high	92.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.			trans	-125.1	120.8	179.5	0	0	0	0	0	111.4	K109 Y110 W143 K145	K109-A138 HydrophobicContact CB-CB 4.14Å; K109-A138 PolarHBondContact O-N 3.35Å; Y110-A138 WeakPolarHBondContact CD1-O 3.25Å; Y110-A138 WeakPolarHBondContact CE1-O 3.46Å; A138-W143 VanDerWaalsContact CB-O 3.27Å; A138-W143 WeakPolarHBondContact CB-O 3.12Å; A138-K145 HydrophobicContact CB-CG 4.08Å
139	C	90.7	Very high	92.6	Very high	49 Å²	49	56.5 Å²	56.5	33%	0.331	30%	0.3	S	S	.	.	S	Bend	trans	-84	-34.7	-174.9	-42.1	0	0	0	0	112.5	Y110 C127	Y110-C139 PolarHBondContact OH-O 2.99Å; C127-C139 WeakPolarHBondContact CA-SG 3.17Å; C127-C139 HydrophobicContact CB-CB 3.83Å; C127-C139 WeakPolarHBondContact CB-SG 3.47Å; C127-C139 WeakPolarHBondContact SG-CA 3.08Å; C127-C139 WeakPolarHBondContact SG-CB 3.01Å; C127-C139 PolarHBondContact SG-N 2.77Å; C127-C139 VanDerWaalsContact SG-N 3.41Å; C127-C139 CovalentContact SG-SG 2.02Å; C127-C139 PolarHBondContact SG-SG 2.81Å
140	D	84.6	Confident	92.9	Very high	149 Å²	149	53 Å²	53	80%	0.797	29%	0.288	S	S	*	.	S	Bend	trans	-117.8	5.5	-164.9	57.6	-19.6	0	0	0	112.7
141	S	83.6	Confident	93	Very high	46 Å²	46	49.4 Å²	49.4	32%	0.322	27%	0.265	S	S	.	.			trans	-129.7	146.8	-176.2	-176.3	0	0	0	0	111.8	W143	S141-W143 WeakPolarHBondContact CB-O 3.49Å; S141-W143 WeakPolarHBondContact OG-CB 3.4Å; S141-W143 PolarHBondContact OG-N 3.26Å; S141-W143 PolarHBondContact OG-O 3.24Å
142	K	84.8	Confident	93.1	Very high	100 Å²	100	47.2 Å²	47.2	44%	0.435	26%	0.258	S	S	.	.	S	Bend	trans	-73.8	-16	165.9	-65.2	-162.9	171.7	-177.6	0	112.4	K109 G271 Y272	K109-K142 WeakPolarHBondContact CE-O 3.24Å; K109-K142 WeakPolarHBondContact CG-O 3.32Å; K142-G271 PolarHBondContact NZ-O 2.85Å; K142-Y272 WeakPolarHBondContact CG-OH 3.32Å
143	W	90.5	Very high	93.1	Very high	104 Å²	104	51 Å²	51	39%	0.394	28%	0.278	S	S	.	.	S	Bend	trans	-103.5	140.1	-176.6	-57.6	112.5	0	0	0	111	H83 A138 S141	H83-W143 AromaticContact CD2-CZ3 3.66Å; H83-W143 AromaticContact CE1-CH2 3.4Å; H83-W143 VanDerWaalsContact CE1-CH2 3.4Å; H83-W143 WeakPolarHBondContact CE1-CH2 3.26Å; H83-W143 AromaticContact CE1-CZ3 3.21Å; H83-W143 WeakPolarHBondContact CE1-CZ3 3.2Å; H83-W143 AromaticContact CG-CZ3 3.71Å; H83-W143 AromaticContact ND1-CZ3 3.44Å; H83-W143 WeakPolarHBondContact ND1-CZ3 3.17Å; H83-W143 AromaticContact NE2-CH2 3.44Å; H83-W143 WeakPolarHBondContact NE2-CH2 3.37Å; H83-W143 AromaticContact NE2-CZ3 3.35Å; H83-W143 VanDerWaalsContact NE2-CZ3 3.35Å; H83-W143 WeakPolarHBondContact NE2-CZ3 3.04Å; A138-W143 VanDerWaalsContact CB-O 3.27Å; A138-W143 WeakPolarHBondContact CB-O 3.12Å; S141-W143 WeakPolarHBondContact CB-O 3.49Å; S141-W143 WeakPolarHBondContact OG-CB 3.4Å; S141-W143 PolarHBondContact OG-N 3.26Å; S141-W143 PolarHBondContact OG-O 3.24Å
144	L	94.3	Very high	93.1	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.037	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-57.7	149.1	173.5	-164.2	73.7	0	0	0	110.6	L55 G82 E84 P86 K109 T136 Y146	L55-L144 HydrophobicContact CD1-CD2 3.75Å; G82-L144 PolarHBondContact O-N 3.47Å; E84-L144 HydrophobicContact CB-CD2 3.75Å; P86-L144 HydrophobicContact CB-CD1 4.43Å; P86-L144 HydrophobicContact CG-CD1 4.4Å; K109-L144 HydrophobicContact CB-CD1 4.24Å; K109-L144 HydrophobicContact CD-CB 4.21Å; K109-L144 HydrophobicContact CD-CD1 4.2Å; T136-L144 HydrophobicContact CG2-CD2 4.27Å; T136-L144 WeakPolarHBondContact O-CD1 3.44Å; T136-L144 WeakPolarHBondContact O-CG 3.32Å; L144-Y146 VanDerWaalsContact O-CD1 3.27Å; L144-Y146 WeakPolarHBondContact O-CD1 3.34Å
145	K	94.5	Very high	93	Very high	86 Å²	86	53.5 Å²	53.5	37%	0.374	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-77.1	123.7	165.4	-65.7	179.7	-172.3	147.3	0	108.4	T136 E137 A138 A151	T136-K145 WeakPolarHBondContact CA-O 3.48Å; T136-K145 WeakPolarHBondContact CB-O 3.22Å; T136-K145 PolarHBondContact O-N 3.09Å; E137-K145 WeakPolarHBondContact O-CD 3.39Å; E137-K145 WeakPolarHBondContact O-CE 3.42Å; E137-K145 PolarHBondContact O-NZ 2.97Å; A138-K145 HydrophobicContact CB-CG 4.08Å; K145-A151 HydrophobicContact CB-CB 3.84Å; K145-A151 WeakPolarHBondContact O-CB 3.44Å
146	Y	94.9	Very high	93.1	Very high	15 Å²	15	52.4 Å²	52.4	6%	0.059	28%	0.282	C	S	.	.			trans	-149.9	-13.5	-179.2	71	-91.3	0	0	0	115	W76 F79 N80 A81 L144 A152	W76-Y146 HydrophobicContact CD2-CD2 4.33Å; W76-Y146 AromaticContact CE3-CD2 3.89Å; W76-Y146 HydrophobicContact CE3-CD2 3.89Å; W76-Y146 HydrophobicContact CE3-CE2 4.38Å; W76-Y146 HydrophobicContact CZ3-CD2 4.47Å; F79-Y146 WeakPolarHBondContact O-CE2 3.21Å; F79-Y146 PolarHBondContact O-OH 3.47Å; N80-Y146 WeakPolarHBondContact CA-OH 3.48Å; N80-Y146 PolarHBondContact OD1-OH 3.06Å; A81-Y146 HydrophobicContact CB-CD1 4.34Å; A81-Y146 HydrophobicContact CB-CD2 4.03Å; A81-Y146 HydrophobicContact CB-CG 3.89Å; L144-Y146 VanDerWaalsContact O-CD1 3.27Å; L144-Y146 WeakPolarHBondContact O-CD1 3.34Å; Y146-A152 VanDerWaalsContact O-CA 3.3Å; Y146-A152 WeakPolarHBondContact O-CA 3.35Å; Y146-A152 WeakPolarHBondContact O-CB 3.39Å
147	K	92.6	Very high	93.1	Very high	104 Å²	104	56.6 Å²	56.6	45%	0.452	30%	0.297	S	S	.	.	S	Bend	trans	-82.3	-28.6	-169.4	-70.3	-172.8	179	-180	0	114.6
148	V	90.4	Very high	93.2	Very high	118 Å²	118	56.3 Å²	56.3	72%	0.715	30%	0.296	S	S	*	.	S	Bend	trans	-143.8	155.5	-168.6	-62	0	0	0	0	112.9
149	G	92.9	Very high	93.2	Very high	53 Å²	53	57.9 Å²	57.9	55%	0.546	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	60.7	-152.7	173.2	0	0	0	0	0	113.3	A151 A152	G149-A151 PolarHBondContact O-N 3.39Å; G149-A152 WeakPolarHBondContact O-CB 3.29Å; G149-A152 PolarHBondContact O-N 2.63Å
150	L	95	Very high	93.5	Very high	85 Å²	85	55.5 Å²	55.5	45%	0.445	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-53.3	-31.2	-178.2	-62.3	176.6	0	0	0	113.6	V135 A152 D153 A154 P180	V135-L150 HydrophobicContact CB-CB 4.13Å; V135-L150 HydrophobicContact CG1-CB 4.09Å; V135-L150 HydrophobicContact CG1-CD1 4.35Å; V135-L150 HydrophobicContact CG2-CB 4.34Å; V135-L150 WeakPolarHBondContact CG2-O 3.38Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.45Å; L150-D153 PolarHBondContact O-N 3.4Å; L150-A154 PolarHBondContact O-N 3.45Å; L150-P180 HydrophobicContact CD2-CG 4.32Å
151	A	95.7	Very high	94.1	Very high	7 Å²	7	49.4 Å²	49.4	6%	0.058	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-66.8	-32.2	178.8	0	0	0	0	0	112.9	L55 V135 T136 K145 G149 D153 A154	L55-A151 WeakPolarHBondContact CD2-O 3.38Å; V135-A151 WeakPolarHBondContact O-CB 3.35Å; T136-A151 HydrophobicContact CG2-CB 4.45Å; K145-A151 HydrophobicContact CB-CB 3.84Å; K145-A151 WeakPolarHBondContact O-CB 3.44Å; G149-A151 PolarHBondContact O-N 3.39Å; A151-D153 VanDerWaalsContact C-N 3.33Å; A151-A154 WeakPolarHBondContact O-CB 3.35Å
152	A	96.8	Very high	94.7	Very high	7 Å²	7	47.7 Å²	47.7	6%	0.058	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-27.3	177	0	0	0	0	0	113.1	H65 W76 Y146 G149 L150	H65-A152 PolarHBondContact CE1-O 2.94Å; H65-A152 VanDerWaalsContact CE1-O 3.29Å; H65-A152 PolarHBondContact NE2-O 2.93Å; W76-A152 PolarHBondContact NE1-O 3.07Å; W76-A152 VanDerWaalsContact NE1-O 3.11Å; Y146-A152 VanDerWaalsContact O-CA 3.3Å; Y146-A152 WeakPolarHBondContact O-CA 3.35Å; Y146-A152 WeakPolarHBondContact O-CB 3.39Å; G149-A152 WeakPolarHBondContact O-CB 3.29Å; G149-A152 PolarHBondContact O-N 2.63Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.45Å
153	D	96.9	Very high	95.3	Very high	85 Å²	85	46.8 Å²	46.8	46%	0.455	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	2.1	-179.2	-55.5	-46.7	0	0	0	112.5	H65 L150 A151 Q155	H65-D153 IonicContact CD2-OD1 2.8Å; H65-D153 IonicContact NE2-OD1 3.62Å; H65-D153 PolarHBondContact NE2-OD1 3.19Å; H65-D153 VanDerWaalsContact NE2-OD1 3.11Å; L150-D153 PolarHBondContact O-N 3.4Å; A151-D153 VanDerWaalsContact C-N 3.33Å; D153-Q155 PolarHBondContact O-N 3.01Å
154	A	96.4	Very high	95.5	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.033	24%	0.242	C	C	.	.			trans	-65.2	131	-174.2	0	0	0	0	0	112	L55 V135 T136 L150 A151	L55-A154 WeakPolarHBondContact CB-O 3.38Å; L55-A154 PolarHBondContact N-O 2.64Å; V135-A154 HydrophobicContact CG2-CB 3.67Å; T136-A154 HydrophobicContact CG2-CB 3.5Å; L150-A154 PolarHBondContact O-N 3.45Å; A151-A154 WeakPolarHBondContact O-CB 3.35Å
155	Q	96.5	Very high	95.5	Very high	62 Å²	62	52.4 Å²	52.4	29%	0.29	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-152.6	144.8	177.1	59.4	-175.8	-26.8	0	0	111.8	K54 F61 D153 S176 A177	K54-Q155 HydrophobicContact CB-CB 4.43Å; K54-Q155 HydrophobicContact CG-CB 3.95Å; F61-Q155 HydrophobicContact CE2-CB 4.45Å; F61-Q155 HydrophobicContact CZ-CB 4.47Å; D153-Q155 PolarHBondContact O-N 3.01Å; Q155-S176 CarbonylContact O-C 3.29Å; Q155-S176 VanDerWaalsContact O-C 3.29Å; Q155-S176 WeakPolarHBondContact O-CB 3.49Å; Q155-A177 PolarHBondContact O-N 3.22Å
156	G	97.3	Very high	95.4	Very high	4 Å²	4	50.3 Å²	50.3	4%	0.041	27%	0.269	C	S	.	.			trans	-103	176.6	155.1	0	0	0	0	0	110.6	S52 G53 E173	S52-G156 WeakPolarHBondContact OG-CA 3.39Å; G53-G156 CarbonylContact C-O 3.55Å; G53-G156 VanDerWaalsContact C-O 3.26Å; G53-G156 WeakPolarHBondContact CA-O 3.15Å; G53-G156 PolarHBondContact O-N 3.44Å; G156-E173 WeakPolarHBondContact CA-O 3.19Å
157	R	96.9	Very high	95.5	Very high	95 Å²	95	49.9 Å²	49.9	36%	0.358	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	131.8	174.3	-178	169.5	55.2	76.8	9.9	111.4	S52 E159 G172 E173	S52-R157 CarbonylContact O-C 3.51Å; S52-R157 VanDerWaalsContact O-C 3.26Å; S52-R157 VanDerWaalsContact O-CA 3.26Å; S52-R157 WeakPolarHBondContact O-CA 3.44Å; S52-R157 PolarHBondContact O-N 2.99Å; S52-R157 PolarHBondContact OG-N 2.95Å; R157-E159 IonicContact CZ-OE1 2.69Å; R157-E159 IonicContact NH1-OE1 3.68Å; R157-E159 PolarHBondContact NH1-OE1 2.95Å; R157-E159 VanDerWaalsContact NH1-OE1 3.14Å; R157-E159 IonicContact NH2-OE1 2.73Å; R157-E159 PolarHBondContact NH2-OE1 3.24Å; R157-E159 PolarHBondContact O-N 2.86Å; R157-G172 CarbonylContact O-C 3.55Å; R157-G172 WeakPolarHBondContact O-CA 3.46Å; R157-E173 PolarHBondContact N-O 2.94Å; R157-E173 PolarHBondContact O-N 3.39Å
158	V	97.6	Very high	95.8	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	115.2	164	-179.4	0	0	0	0	108.5	Y26 V33 F50 S52 A161 V360	Y26-V158 HydrophobicContact CD2-CG2 4.47Å; Y26-V158 HydrophobicContact CE2-CB 3.8Å; Y26-V158 HydrophobicContact CE2-CG1 4.19Å; Y26-V158 HydrophobicContact CE2-CG2 3.74Å; V33-V158 HydrophobicContact CG2-CG1 3.76Å; V33-V158 HydrophobicContact CG2-CG2 4.03Å; F50-V158 HydrophobicContact CD1-CG2 4.12Å; F50-V158 HydrophobicContact CE1-CG2 4.17Å; S52-V158 WeakPolarHBondContact O-CG2 3.41Å; S52-V158 PolarHBondContact O-N 3.44Å; V158-A161 HydrophobicContact CG1-CB 4.28Å; V158-V360 HydrophobicContact CG1-CG2 4.26Å
159	E	94.9	Very high	96.1	Very high	33 Å²	33	39.3 Å²	39.3	15%	0.154	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-34.4	177.4	-48.4	-154.4	113.9	0	0	112.1	R157 R171 E173 V360	R157-E159 IonicContact CZ-OE1 2.69Å; R157-E159 IonicContact NH1-OE1 3.68Å; R157-E159 PolarHBondContact NH1-OE1 2.95Å; R157-E159 VanDerWaalsContact NH1-OE1 3.14Å; R157-E159 IonicContact NH2-OE1 2.73Å; R157-E159 PolarHBondContact NH2-OE1 3.24Å; R157-E159 PolarHBondContact O-N 2.86Å; E159-R171 HydrophobicContact CB-CB 4.34Å; E159-R171 HydrophobicContact CB-CG 4.12Å; E159-R171 HydrophobicContact CG-CG 4.18Å; E159-R171 PolarHBondContact N-O 2.79Å; E159-R171 WeakPolarHBondContact OE2-CD 3.4Å; E159-E173 HydrophobicContact CG-CB 4Å; E159-V360 PolarHBondContact O-N 3.5Å
160	A	95.9	Very high	96.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	142.3	-178.7	0	0	0	0	0	111.1	I162 F169 I170 R171 F342	A160-I162 HydrophobicContact CB-CD1 4.31Å; A160-F169 HydrophobicContact CB-CD1 4.16Å; A160-F169 HydrophobicContact CB-CE1 3.86Å; A160-I170 CarbonylContact O-C 3.59Å; A160-I170 VanDerWaalsContact O-CA 3.25Å; A160-I170 WeakPolarHBondContact O-CA 3.33Å; A160-R171 HydrophobicContact CB-CB 4.24Å; A160-R171 PolarHBondContact N-O 3.31Å; A160-R171 PolarHBondContact O-N 3.21Å; A160-F342 HydrophobicContact CB-CD2 3.94Å; A160-F342 HydrophobicContact CB-CE1 4.41Å; A160-F342 HydrophobicContact CB-CE2 3.51Å; A160-F342 HydrophobicContact CB-CZ 3.79Å
161	A	97.3	Very high	96.6	Very high	20 Å²	20	32.9 Å²	32.9	17%	0.165	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	99.6	169.6	0	0	0	0	0	108.1	L24 V33 V158 F169	L24-A161 HydrophobicContact CD2-CB 4.29Å; V33-A161 HydrophobicContact CG1-CB 3.92Å; V33-A161 HydrophobicContact CG2-CB 3.72Å; V158-A161 HydrophobicContact CG1-CB 4.28Å; A161-F169 CarbonylContact C-O 3.37Å; A161-F169 WeakPolarHBondContact CA-O 3.24Å
162	I	97.4	Very high	96.7	Very high	11 Å²	11	32.5 Å²	32.5	6%	0.056	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.4	-167.6	-54.6	168.9	0	0	0	109.7	A160 R164 V168 F169 F342 F354 A358	A160-I162 HydrophobicContact CB-CD1 4.31Å; I162-R164 HydrophobicContact CG2-CG 3.84Å; I162-V168 WeakPolarHBondContact O-CA 3.26Å; I162-F169 HydrophobicContact CD1-CD1 4.49Å; I162-F169 PolarHBondContact N-O 2.9Å; I162-F169 PolarHBondContact O-N 2.81Å; I162-F342 HydrophobicContact CD1-CD2 4.09Å; I162-F342 HydrophobicContact CD1-CE2 4.35Å; I162-F354 HydrophobicContact CB-CD1 3.97Å; I162-F354 HydrophobicContact CD1-CB 4.44Å; I162-F354 HydrophobicContact CG2-CD1 3.8Å; I162-F354 HydrophobicContact CG2-CE1 4.34Å; I162-A358 HydrophobicContact CD1-CB 3.91Å; I162-A358 HydrophobicContact CG1-CB 4.16Å
163	K	96.1	Very high	96.7	Very high	81 Å²	81	32.6 Å²	32.6	35%	0.352	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.1	169	-179.4	-173.2	172.4	-171.6	0	109.4	S22 L24 Y35 M167 V168	S22-K163 PolarHBondContact O-NZ 2.92Å; L24-K163 HydrophobicContact CB-CB 4.09Å; L24-K163 HydrophobicContact CD2-CB 4Å; Y35-K163 HydrophobicContact CE2-CD 4.11Å; K163-M167 CarbonylContact C-O 3.58Å; K163-M167 WeakPolarHBondContact CA-O 3.37Å; K163-V168 HydrophobicContact CG-CG2 4.39Å
164	R	95.7	Very high	96.7	Very high	114 Å²	114	28.6 Å²	28.6	43%	0.43	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	125.2	177	-75.5	-80.8	-170.2	174.6	4	109.1	I162 G166 M167 I352 F354	I162-R164 HydrophobicContact CG2-CG 3.84Å; R164-G166 PolarHBondContact O-N 3.43Å; R164-G166 VanDerWaalsContact O-N 3.12Å; R164-M167 PolarHBondContact N-O 3.07Å; R164-M167 WeakPolarHBondContact O-CB 3.43Å; R164-M167 PolarHBondContact O-N 3.16Å; R164-I352 HydrophobicContact CB-CG2 4.07Å; R164-F354 HydrophobicContact CB-CD1 4.44Å; R164-F354 HydrophobicContact CB-CE1 3.88Å; R164-F354 HydrophobicContact CB-CZ 4.38Å; R164-F354 HydrophobicContact CG-CD1 4.29Å; R164-F354 HydrophobicContact CG-CE1 4.2Å
165	E	93.2	Very high	96.7	Very high	114 Å²	114	31.8 Å²	31.8	53%	0.533	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	38.7	172.5	-51.8	-163.8	147.9	0	0	115.1	M167 K350 I352	E165-M167 VanDerWaalsContact C-N 3.26Å; E165-M167 PolarHBondContact O-N 3.46Å; E165-K350 IonicContact OE1-NZ 3.83Å; E165-K350 PolarHBondContact OE1-NZ 3.44Å; E165-K350 WeakPolarHBondContact OE2-CD 3.23Å; E165-K350 WeakPolarHBondContact OE2-CE 3.23Å; E165-K350 IonicContact OE2-NZ 3.39Å; E165-K350 PolarHBondContact OE2-NZ 2.78Å; E165-I352 HydrophobicContact CB-CD1 4.23Å; E165-I352 WeakPolarHBondContact OE2-CD1 3.38Å; E165-I352 VanDerWaalsContact OE2-CG1 3.3Å; E165-I352 WeakPolarHBondContact OE2-CG1 3.41Å
166	G	92.1	Very high	96.7	Very high	43 Å²	43	30.9 Å²	30.9	44%	0.443	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-9.8	-179.2	0	0	0	0	0	114.9	R164	R164-G166 PolarHBondContact O-N 3.43Å; R164-G166 VanDerWaalsContact O-N 3.12Å
167	M	97.5	Very high	96.7	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	154.2	171.8	-62.7	-175	-176.5	0	0	111.6	K163 R164 E165 L193 L194 Y327 V345 L347 I352 F354	K163-M167 CarbonylContact C-O 3.58Å; K163-M167 WeakPolarHBondContact CA-O 3.37Å; R164-M167 PolarHBondContact N-O 3.07Å; R164-M167 WeakPolarHBondContact O-CB 3.43Å; R164-M167 PolarHBondContact O-N 3.16Å; E165-M167 VanDerWaalsContact C-N 3.26Å; E165-M167 PolarHBondContact O-N 3.46Å; M167-L193 VanDerWaalsContact CA-O 3.25Å; M167-L193 WeakPolarHBondContact CA-O 3.18Å; M167-L193 WeakPolarHBondContact CB-O 3.21Å; M167-L194 HydrophobicContact SD-CD2 4.19Å; M167-Y327 HydrophobicContact CE-CD1 4.33Å; M167-Y327 HydrophobicContact CE-CE1 4.03Å; M167-V345 HydrophobicContact CE-CG1 4.03Å; M167-V345 HydrophobicContact SD-CB 4.21Å; M167-V345 HydrophobicContact SD-CG1 3.9Å; M167-V345 HydrophobicContact SD-CG2 4.33Å; M167-L347 HydrophobicContact CE-CB 4.18Å; M167-L347 HydrophobicContact CE-CD2 3.99Å; M167-I352 HydrophobicContact CE-CD1 3.65Å; M167-I352 HydrophobicContact CG-CD1 4.39Å; M167-I352 HydrophobicContact SD-CD1 3.64Å; M167-F354 HydrophobicContact CB-CZ 3.93Å
168	V	98.3	Very high	96.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.4	178.3	179.3	0	0	0	0	109.3	L24 Y35 I162 K163 I170 L192 L193	L24-V168 HydrophobicContact CD1-CG1 3.71Å; L24-V168 HydrophobicContact CD2-CG1 4.47Å; Y35-V168 HydrophobicContact CD1-CG2 4.08Å; Y35-V168 HydrophobicContact CD2-CG2 3.54Å; Y35-V168 HydrophobicContact CE1-CG2 4.14Å; Y35-V168 HydrophobicContact CE2-CG2 3.61Å; Y35-V168 HydrophobicContact CG-CG2 3.76Å; I162-V168 WeakPolarHBondContact O-CA 3.26Å; K163-V168 HydrophobicContact CG-CG2 4.39Å; V168-I170 HydrophobicContact CG1-CD1 4.1Å; V168-I170 HydrophobicContact CG1-CG1 3.95Å; V168-L192 CarbonylContact O-C 3.59Å; V168-L192 VanDerWaalsContact O-CA 3.3Å; V168-L192 WeakPolarHBondContact O-CA 3.13Å; V168-L193 HydrophobicContact CB-CB 4Å; V168-L193 HydrophobicContact CG2-CD2 4.38Å; V168-L193 PolarHBondContact N-O 2.89Å; V168-L193 PolarHBondContact O-N 2.84Å
169	F	98.6	Very high	96.7	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.2	172.4	175.8	-102.1	0	0	0	110	A160 A161 I162 R171 N190 L191 L192 L331 F342 A343 F354	A160-F169 HydrophobicContact CB-CD1 4.16Å; A160-F169 HydrophobicContact CB-CE1 3.86Å; A161-F169 CarbonylContact C-O 3.37Å; A161-F169 WeakPolarHBondContact CA-O 3.24Å; I162-F169 HydrophobicContact CD1-CD1 4.49Å; I162-F169 PolarHBondContact N-O 2.9Å; I162-F169 PolarHBondContact O-N 2.81Å; F169-R171 HydrophobicContact CE1-CB 4.01Å; F169-R171 HydrophobicContact CZ-CB 3.92Å; F169-N190 HydrophobicContact CE2-CB 4.37Å; F169-L191 CarbonylContact C-O 3.57Å; F169-L191 WeakPolarHBondContact CA-O 3.37Å; F169-L192 HydrophobicContact CB-CD1 4.02Å; F169-L192 HydrophobicContact CD2-CD1 4.13Å; F169-L331 HydrophobicContact CE2-CD1 3.82Å; F169-L331 HydrophobicContact CZ-CD1 4.27Å; F169-F342 HydrophobicContact CD1-CB 4.16Å; F169-F342 HydrophobicContact CE1-CB 3.35Å; F169-F342 HydrophobicContact CE1-CD1 4.25Å; F169-F342 AromaticContact CE1-CD2 4Å; F169-F342 HydrophobicContact CE1-CD2 4Å; F169-F342 AromaticContact CE1-CG 3.65Å; F169-F342 HydrophobicContact CE1-CG 3.65Å; F169-F342 HydrophobicContact CZ-CB 3.6Å; F169-F342 HydrophobicContact CZ-CG 4.2Å; F169-A343 HydrophobicContact CD2-CB 4.2Å; F169-A343 HydrophobicContact CE2-CB 4.08Å; F169-F354 HydrophobicContact CB-CB 4.35Å; F169-F354 HydrophobicContact CB-CD1 3.36Å; F169-F354 HydrophobicContact CB-CD2 4.12Å; F169-F354 HydrophobicContact CB-CE1 3.5Å; F169-F354 VanDerWaalsContact CB-CE1 3.5Å; F169-F354 HydrophobicContact CB-CE2 4.25Å; F169-F354 HydrophobicContact CB-CG 3.67Å; F169-F354 HydrophobicContact CB-CZ 3.95Å; F169-F354 HydrophobicContact CD1-CB 4.2Å; F169-F354 HydrophobicContact CD1-CG 4.44Å; F169-F354 HydrophobicContact CG-CB 4.28Å; F169-F354 HydrophobicContact CG-CD1 4.19Å; F169-F354 HydrophobicContact CG-CG 4.08Å
170	I	98.6	Very high	96.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.8	175.1	-53.9	166.8	0	0	0	108.3	V33 L48 F50 A160 V168 N190 L191	V33-I170 HydrophobicContact CB-CD1 4.1Å; V33-I170 HydrophobicContact CG1-CD1 3.61Å; V33-I170 HydrophobicContact CG1-CG1 4.07Å; V33-I170 HydrophobicContact CG2-CG2 4.23Å; L48-I170 HydrophobicContact CD2-CD1 4.14Å; F50-I170 HydrophobicContact CB-CD1 4.14Å; F50-I170 HydrophobicContact CB-CG2 4Å; F50-I170 HydrophobicContact CD1-CG2 3.48Å; F50-I170 VanDerWaalsContact CD1-CG2 3.48Å; F50-I170 HydrophobicContact CE1-CG2 4.09Å; F50-I170 HydrophobicContact CG-CG2 3.76Å; A160-I170 CarbonylContact O-C 3.59Å; A160-I170 VanDerWaalsContact O-CA 3.25Å; A160-I170 WeakPolarHBondContact O-CA 3.33Å; V168-I170 HydrophobicContact CG1-CD1 4.1Å; V168-I170 HydrophobicContact CG1-CG1 3.95Å; I170-N190 CarbonylContact O-C 3.52Å; I170-N190 WeakPolarHBondContact O-CA 3.43Å; I170-L191 HydrophobicContact CB-CB 4.24Å; I170-L191 PolarHBondContact N-O 3.46Å; I170-L191 PolarHBondContact O-N 3Å
171	R	98.3	Very high	96.7	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.9	170.6	177.8	174.8	-66.3	-167.4	-4.1	109.3	E159 A160 F169 R189 N190 L332	E159-R171 HydrophobicContact CB-CB 4.34Å; E159-R171 HydrophobicContact CB-CG 4.12Å; E159-R171 HydrophobicContact CG-CG 4.18Å; E159-R171 PolarHBondContact N-O 2.79Å; E159-R171 WeakPolarHBondContact OE2-CD 3.4Å; A160-R171 HydrophobicContact CB-CB 4.24Å; A160-R171 PolarHBondContact N-O 3.31Å; A160-R171 PolarHBondContact O-N 3.21Å; F169-R171 HydrophobicContact CE1-CB 4.01Å; F169-R171 HydrophobicContact CZ-CB 3.92Å; R171-R189 WeakPolarHBondContact CA-O 3.3Å; R171-N190 PolarHBondContact NE-OD1 2.94Å; R171-N190 PolarHBondContact NH2-OD1 2.93Å; R171-L332 PolarHBondContact NH1-O 2.99Å; R171-L332 PolarHBondContact NH2-O 3.46Å
172	G	97.9	Very high	96.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.5	166.9	0	0	0	0	0	112.7	R157 Q188 R189	R157-G172 CarbonylContact O-C 3.55Å; R157-G172 WeakPolarHBondContact O-CA 3.46Å; G172-Q188 CarbonylContact O-C 3.5Å; G172-Q188 VanDerWaalsContact O-CA 3.28Å; G172-Q188 WeakPolarHBondContact O-CA 3.38Å; G172-R189 PolarHBondContact N-O 3.4Å; G172-R189 PolarHBondContact O-N 2.61Å
173	E	97.1	Very high	96.6	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.2	173.5	175.6	55.2	-106.9	0	0	108.5	S52 G156 R157 E159 H175 F187	S52-E173 PolarHBondContact OG-O 3.44Å; G156-E173 WeakPolarHBondContact CA-O 3.19Å; R157-E173 PolarHBondContact N-O 2.94Å; R157-E173 PolarHBondContact O-N 3.39Å; E159-E173 HydrophobicContact CG-CB 4Å; E173-H175 VanDerWaalsContact OE1-CB 3.3Å; E173-H175 WeakPolarHBondContact OE1-CB 3.1Å; E173-H175 IonicContact OE1-CG 3.33Å; E173-H175 PolarHBondContact OE1-N 2.92Å; E173-H175 IonicContact OE1-ND1 3.75Å; E173-H175 PolarHBondContact OE1-ND1 3.28Å; E173-H175 VanDerWaalsContact OE1-ND1 3.15Å; E173-F187 PolarHBondContact OE1-N 2.8Å
174	G	97.3	Very high	96.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.			trans	-117.1	-1.9	-171.7	0	0	0	0	0	114.7	N89 S176 A177 Y178 F187	N89-G174 WeakPolarHBondContact ND2-CA 3.23Å; N89-G174 PolarHBondContact ND2-N 2.85Å; G174-S176 VanDerWaalsContact C-N 3.27Å; G174-S176 PolarHBondContact O-N 3.01Å; G174-A177 WeakPolarHBondContact O-CB 3.48Å; G174-A177 PolarHBondContact O-N 2.86Å; G174-Y178 VanDerWaalsContact O-CD2 3.23Å; G174-Y178 WeakPolarHBondContact O-CD2 3.21Å; G174-F187 PolarHBondContact N-O 3.02Å
175	H	95.8	Very high	96.5	Very high	72 Å²	72	36.2 Å²	36.2	33%	0.333	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-56.4	-38.5	-171.2	82.3	-79.7	0	0	0	113.1	E173 A177 Y178	E173-H175 VanDerWaalsContact OE1-CB 3.3Å; E173-H175 WeakPolarHBondContact OE1-CB 3.1Å; E173-H175 IonicContact OE1-CG 3.33Å; E173-H175 PolarHBondContact OE1-N 2.92Å; E173-H175 IonicContact OE1-ND1 3.75Å; E173-H175 PolarHBondContact OE1-ND1 3.28Å; E173-H175 VanDerWaalsContact OE1-ND1 3.15Å; H175-A177 PolarHBondContact O-N 2.89Å; H175-A177 VanDerWaalsContact O-N 3.14Å; H175-Y178 PolarHBondContact O-N 2.84Å
176	S	96.8	Very high	96.6	Very high	42 Å²	42	31.4 Å²	31.4	29%	0.294	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-72.3	-3.2	-178	-44.2	0	0	0	0	113.9	Q155 G174 Y178	Q155-S176 CarbonylContact O-C 3.29Å; Q155-S176 VanDerWaalsContact O-C 3.29Å; Q155-S176 WeakPolarHBondContact O-CB 3.49Å; G174-S176 VanDerWaalsContact C-N 3.27Å; G174-S176 PolarHBondContact O-N 3.01Å; S176-Y178 VanDerWaalsContact C-N 3.35Å
177	A	97.9	Very high	96.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-86.4	-7.6	169.4	0	0	0	0	0	112.6	Q88 Q134 V135 Q155 G174 H175	Q88-A177 HydrophobicContact CB-CB 3.73Å; Q88-A177 HydrophobicContact CG-CB 3.78Å; Q134-A177 CarbonylContact C-O 3.26Å; Q134-A177 WeakPolarHBondContact CA-O 3.44Å; Q134-A177 HydrophobicContact CB-CB 4.48Å; Q134-A177 VanDerWaalsContact CB-O 3.27Å; Q134-A177 WeakPolarHBondContact CB-O 3.41Å; Q134-A177 HydrophobicContact CG-CB 4.02Å; V135-A177 PolarHBondContact N-O 2.91Å; Q155-A177 PolarHBondContact O-N 3.22Å; G174-A177 WeakPolarHBondContact O-CB 3.48Å; G174-A177 PolarHBondContact O-N 2.86Å; H175-A177 PolarHBondContact O-N 2.89Å; H175-A177 VanDerWaalsContact O-N 3.14Å
178	Y	97.4	Very high	96.9	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.027	15%	0.145	C	C	.	.	S	Bend	trans	-113.5	161.1	-176.3	-64.5	-90.6	0	0	0	111.9	A117 F119 G133 Q134 G174 H175 S176 P180 L182 F187	A117-Y178 VanDerWaalsContact O-CE1 3.32Å; A117-Y178 WeakPolarHBondContact O-CE1 3.49Å; A117-Y178 PolarHBondContact O-OH 3.05Å; F119-Y178 AromaticContact CD2-CD1 3.64Å; F119-Y178 HydrophobicContact CD2-CD1 3.64Å; F119-Y178 AromaticContact CD2-CE1 3.64Å; F119-Y178 HydrophobicContact CD2-CE1 3.64Å; F119-Y178 HydrophobicContact CD2-CG 4.27Å; F119-Y178 AromaticContact CE2-CD1 3.79Å; F119-Y178 HydrophobicContact CE2-CD1 3.79Å; F119-Y178 HydrophobicContact CE2-CD2 4.28Å; F119-Y178 AromaticContact CE2-CE1 3.57Å; F119-Y178 HydrophobicContact CE2-CE1 3.57Å; F119-Y178 HydrophobicContact CE2-CE2 4.13Å; F119-Y178 HydrophobicContact CE2-CG 4.13Å; F119-Y178 AromaticContact CE2-CZ 3.76Å; G133-Y178 WeakPolarHBondContact O-CD1 3.23Å; Q134-Y178 HydrophobicContact CG-CD1 4.26Å; Q134-Y178 HydrophobicContact CG-CE1 3.77Å; Q134-Y178 HydrophobicContact CG-CE2 4.04Å; Q134-Y178 PolarHBondContact NE2-OH 2.97Å; G174-Y178 VanDerWaalsContact O-CD2 3.23Å; G174-Y178 WeakPolarHBondContact O-CD2 3.21Å; H175-Y178 PolarHBondContact O-N 2.84Å; S176-Y178 VanDerWaalsContact C-N 3.35Å; Y178-P180 WeakPolarHBondContact O-CD 3.3Å; Y178-L182 HydrophobicContact CD1-CD1 4.49Å; Y178-F187 HydrophobicContact CD2-CD1 4.26Å; Y178-F187 AromaticContact CE2-CD1 3.57Å; Y178-F187 HydrophobicContact CE2-CD1 3.57Å; Y178-F187 AromaticContact CE2-CE1 3.78Å; Y178-F187 HydrophobicContact CE2-CE1 3.78Å; Y178-F187 AromaticContact CZ-CE1 3.98Å
179	N	96.2	Very high	96.9	Very high	40 Å²	40	29.3 Å²	29.3	21%	0.214	15%	0.145	C	C	.	.			trans	-67.7	126.5	-179.4	-172.9	-32.4	0	0	0	110.3	L123 V135 E181 L182	L123-N179 HydrophobicContact CD1-CB 4.16Å; V135-N179 HydrophobicContact CG1-CB 4.05Å; N179-E181 PolarHBondContact O-N 2.87Å; N179-E181 VanDerWaalsContact O-N 3.08Å; N179-E181 WeakPolarHBondContact OD1-CB 3.17Å; N179-E181 WeakPolarHBondContact OD1-CG 3.35Å; N179-E181 PolarHBondContact OD1-N 3.28Å; N179-L182 WeakPolarHBondContact O-CB 3.43Å; N179-L182 WeakPolarHBondContact O-CG 3.36Å; N179-L182 PolarHBondContact O-N 2.99Å
180	P	95.8	Very high	96.9	Very high	89 Å²	89	29.5 Å²	29.5	58%	0.578	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-55.7	-24.4	177.2	-26.7	35.3	0	0	0	114.8	L150 Y178 L182 K183	L150-P180 HydrophobicContact CD2-CG 4.32Å; Y178-P180 WeakPolarHBondContact O-CD 3.3Å; P180-L182 PolarHBondContact O-N 2.79Å; P180-K183 WeakPolarHBondContact O-CA 3.42Å; P180-K183 PolarHBondContact O-N 3Å
181	E	95.3	Very high	96.9	Very high	123 Å²	123	29.5 Å²	29.5	58%	0.575	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-65.4	-18.5	176.3	-66.2	-176.2	-158.4	0	0	113.3	L123 N179 K183 P212	L123-E181 HydrophobicContact CD1-CB 4.18Å; L123-E181 HydrophobicContact CD2-CB 3.82Å; L123-E181 HydrophobicContact CD2-CG 4.5Å; L123-E181 WeakPolarHBondContact CD2-OE2 3.26Å; N179-E181 PolarHBondContact O-N 2.87Å; N179-E181 VanDerWaalsContact O-N 3.08Å; N179-E181 WeakPolarHBondContact OD1-CB 3.17Å; N179-E181 WeakPolarHBondContact OD1-CG 3.35Å; N179-E181 PolarHBondContact OD1-N 3.28Å; E181-K183 PolarHBondContact O-N 2.67Å; E181-P212 WeakPolarHBondContact O-CD 3.21Å; E181-P212 WeakPolarHBondContact O-CG 3.49Å
182	L	95.5	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-68.8	-16.2	169.2	-62.7	173.2	0	0	0	112.3	F119 L123 A132 Y178 N179 P180 I184 S211	F119-L182 HydrophobicContact CB-CD1 4.13Å; F119-L182 HydrophobicContact CB-CD2 4.49Å; F119-L182 HydrophobicContact CD2-CD1 4.36Å; L123-L182 HydrophobicContact CD1-CD2 3.89Å; L123-L182 HydrophobicContact CD1-CG 4.12Å; A132-L182 HydrophobicContact CB-CD1 4.37Å; A132-L182 HydrophobicContact CB-CD2 4.3Å; Y178-L182 HydrophobicContact CD1-CD1 4.49Å; N179-L182 WeakPolarHBondContact O-CB 3.43Å; N179-L182 WeakPolarHBondContact O-CG 3.36Å; N179-L182 PolarHBondContact O-N 2.99Å; P180-L182 PolarHBondContact O-N 2.79Å; L182-I184 VanDerWaalsContact C-N 3.28Å; L182-I184 HydrophobicContact CB-CD1 3.87Å; L182-I184 HydrophobicContact CB-CG1 3.98Å; L182-I184 HydrophobicContact CD1-CD1 4.05Å; L182-I184 PolarHBondContact O-N 3.02Å; L182-S211 PolarHBondContact O-OG 3.35Å
183	K	96.4	Very high	96.9	Very high	88 Å²	88	29.9 Å²	29.9	38%	0.383	15%	0.148	S	C	.	.			trans	52.3	47.2	178.9	-62.4	-171.3	-172.5	172.3	0	112.1	P180 E181 D208 G210	P180-K183 WeakPolarHBondContact O-CA 3.42Å; P180-K183 PolarHBondContact O-N 3Å; E181-K183 PolarHBondContact O-N 2.67Å; K183-D208 HydrophobicContact CB-CB 4.09Å; K183-D208 PolarHBondContact O-N 2.98Å; K183-G210 WeakPolarHBondContact CD-O 3.4Å; K183-G210 PolarHBondContact NZ-O 2.83Å
184	I	96	Very high	97	Very high	17 Å²	17	29.9 Å²	29.9	9%	0.087	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.1	172.5	-60.1	165.9	0	0	0	106.3	F119 L182 N186 F187 I205 L207	F119-I184 HydrophobicContact CB-CD1 4.44Å; F119-I184 HydrophobicContact CD1-CD1 3.88Å; F119-I184 HydrophobicContact CD2-CD1 3.49Å; F119-I184 VanDerWaalsContact CD2-CD1 3.49Å; F119-I184 HydrophobicContact CE1-CD1 3.94Å; F119-I184 HydrophobicContact CE2-CD1 3.55Å; F119-I184 HydrophobicContact CG-CD1 3.65Å; F119-I184 HydrophobicContact CZ-CD1 3.79Å; L182-I184 VanDerWaalsContact C-N 3.28Å; L182-I184 HydrophobicContact CB-CD1 3.87Å; L182-I184 HydrophobicContact CB-CG1 3.98Å; L182-I184 HydrophobicContact CD1-CD1 4.05Å; L182-I184 PolarHBondContact O-N 3.02Å; I184-N186 WeakPolarHBondContact CG2-O 3.48Å; I184-F187 HydrophobicContact CG2-CB 4.12Å; I184-I205 HydrophobicContact CG2-CG2 4.35Å; I184-L207 HydrophobicContact CG1-CD2 3.97Å
185	R	95.3	Very high	97	Very high	108 Å²	108	32.2 Å²	32.2	41%	0.408	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-43.7	-179.8	-175.9	169.1	164.5	163	1.9	112	H206 D208 E335	R185-H206 HydrophobicContact CB-CB 4.39Å; R185-H206 VanDerWaalsContact CD-CE1 3.46Å; R185-H206 WeakPolarHBondContact CD-CE1 3.44Å; R185-H206 PolarHBondContact N-O 3.16Å; R185-D208 WeakPolarHBondContact CD-OD1 3.26Å; R185-E335 IonicContact CZ-OE2 3.94Å; R185-E335 VanDerWaalsContact CZ-OE2 3.31Å; R185-E335 IonicContact NE-OE1 3.31Å; R185-E335 IonicContact NE-OE2 2.68Å; R185-E335 PolarHBondContact NE-OE2 2.81Å; R185-E335 VanDerWaalsContact NE-OE2 3.11Å; R185-E335 IonicContact NH2-OE2 3.11Å; R185-E335 PolarHBondContact NH2-OE2 2.91Å
186	N	94.6	Very high	97.1	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.064	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	139.7	175	-54.5	100.8	0	0	0	110.1	I184 I205 H206 E335	I184-N186 WeakPolarHBondContact CG2-O 3.48Å; N186-I205 WeakPolarHBondContact O-CA 3.23Å; N186-H206 HydrophobicContact CB-CB 3.87Å; N186-H206 PolarHBondContact N-O 2.84Å; N186-H206 PolarHBondContact O-N 3.06Å; N186-H206 PolarHBondContact OD1-ND1 2.83Å; N186-E335 PolarHBondContact ND2-OE1 3.41Å; N186-E335 PolarHBondContact OD1-OE1 3.49Å; N186-E335 VanDerWaalsContact OD1-OE1 3.06Å
187	F	97.5	Very high	97.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	92	165.5	175.2	-145.8	0	0	0	109.3	N89 A117 F119 E173 G174 Y178 I184 D203 I205	N89-F187 PolarHBondContact ND2-O 3.14Å; A117-F187 HydrophobicContact CB-CE1 4.11Å; A117-F187 HydrophobicContact CB-CE2 4.43Å; A117-F187 HydrophobicContact CB-CZ 3.65Å; F119-F187 HydrophobicContact CE2-CD1 4.3Å; F119-F187 HydrophobicContact CE2-CE1 4.49Å; F119-F187 HydrophobicContact CZ-CD1 4.18Å; F119-F187 HydrophobicContact CZ-CD2 4.44Å; F119-F187 HydrophobicContact CZ-CE1 4.39Å; F119-F187 HydrophobicContact CZ-CG 4.21Å; E173-F187 PolarHBondContact OE1-N 2.8Å; G174-F187 PolarHBondContact N-O 3.02Å; Y178-F187 HydrophobicContact CD2-CD1 4.26Å; Y178-F187 AromaticContact CE2-CD1 3.57Å; Y178-F187 HydrophobicContact CE2-CD1 3.57Å; Y178-F187 AromaticContact CE2-CE1 3.78Å; Y178-F187 HydrophobicContact CE2-CE1 3.78Å; Y178-F187 AromaticContact CZ-CE1 3.98Å; I184-F187 HydrophobicContact CG2-CB 4.12Å; F187-D203 HydrophobicContact CE2-CB 4.31Å; F187-I205 HydrophobicContact CD2-CD1 4.46Å; F187-I205 HydrophobicContact CD2-CG1 4.02Å; F187-I205 HydrophobicContact CE2-CG1 4.45Å
188	Q	97.6	Very high	97.2	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.023	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128.9	-180	-63.7	172.5	10.6	0	0	110.2	G172 D203 H204	G172-Q188 CarbonylContact O-C 3.5Å; G172-Q188 VanDerWaalsContact O-CA 3.28Å; G172-Q188 WeakPolarHBondContact O-CA 3.38Å; Q188-D203 WeakPolarHBondContact O-CA 3.25Å; Q188-H204 HydrophobicContact CB-CB 4.25Å; Q188-H204 PolarHBondContact N-O 2.89Å; Q188-H204 PolarHBondContact O-N 3.46Å
189	R	98.7	Very high	97.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.8	166.4	178.8	162.2	-73.1	-177	-12.5	109.7	F50 N89 N115 R171 G172 M201 D203	F50-R189 HydrophobicContact CE2-CB 4.24Å; F50-R189 HydrophobicContact CE2-CG 4.01Å; F50-R189 HydrophobicContact CZ-CB 4.46Å; N89-R189 HydrophobicContact CB-CB 4.2Å; N89-R189 VanDerWaalsContact O-CD 3.26Å; N89-R189 WeakPolarHBondContact O-CD 3.34Å; N89-R189 PolarHBondContact O-NH1 2.76Å; N115-R189 PolarHBondContact O-NH1 2.92Å; R171-R189 WeakPolarHBondContact CA-O 3.3Å; G172-R189 PolarHBondContact N-O 3.4Å; G172-R189 PolarHBondContact O-N 2.61Å; R189-M201 HydrophobicContact CG-CG 4.11Å; R189-M201 HydrophobicContact CG-SD 4.14Å; R189-D203 WeakPolarHBondContact CB-OD1 3.05Å; R189-D203 WeakPolarHBondContact CG-OD1 3.42Å; R189-D203 IonicContact CZ-OD1 2.81Å; R189-D203 IonicContact CZ-OD2 3.95Å; R189-D203 IonicContact NE-OD1 3.54Å; R189-D203 PolarHBondContact NE-OD1 2.86Å; R189-D203 IonicContact NE-OD2 2.63Å; R189-D203 IonicContact NH2-OD1 2.65Å; R189-D203 PolarHBondContact NH2-OD1 3.17Å; R189-D203 IonicContact NH2-OD2 3.38Å; R189-D203 PolarHBondContact NH2-OD2 2.85Å
190	N	98.6	Very high	97.4	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.6	-178.1	-58.6	-95.3	0	0	0	109.1	F169 I170 R171 M201 V202 L331	F169-N190 HydrophobicContact CE2-CB 4.37Å; I170-N190 CarbonylContact O-C 3.52Å; I170-N190 WeakPolarHBondContact O-CA 3.43Å; R171-N190 PolarHBondContact NE-OD1 2.94Å; R171-N190 PolarHBondContact NH2-OD1 2.93Å; N190-M201 CarbonylContact O-C 3.55Å; N190-M201 WeakPolarHBondContact O-CA 3.31Å; N190-V202 HydrophobicContact CB-CB 4.35Å; N190-V202 WeakPolarHBondContact CB-O 3.37Å; N190-V202 PolarHBondContact N-O 2.92Å; N190-V202 PolarHBondContact ND2-O 3.44Å; N190-V202 VanDerWaalsContact ND2-O 3.08Å; N190-V202 PolarHBondContact O-N 2.6Å; N190-L331 HydrophobicContact CB-CD1 4.27Å; N190-L331 HydrophobicContact CB-CD2 3.88Å
191	L	98.8	Very high	97.5	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.9	171.7	-61.4	177.2	0	0	0	109.1	L48 F50 F91 F169 I170 L199 L200 M201	L48-L191 HydrophobicContact CD1-CD1 4.2Å; F50-L191 HydrophobicContact CB-CD1 3.97Å; F50-L191 HydrophobicContact CD2-CD1 3.56Å; F50-L191 HydrophobicContact CD2-CG 4.32Å; F50-L191 HydrophobicContact CE2-CD1 4.43Å; F50-L191 HydrophobicContact CG-CD1 4.08Å; F91-L191 HydrophobicContact CB-CD1 3.72Å; F91-L191 HydrophobicContact CD2-CD1 4.4Å; F91-L191 HydrophobicContact CD2-CD2 4.34Å; F91-L191 HydrophobicContact CG-CD1 4.16Å; F91-L191 HydrophobicContact CG-CD2 4.28Å; F169-L191 CarbonylContact C-O 3.57Å; F169-L191 WeakPolarHBondContact CA-O 3.37Å; I170-L191 HydrophobicContact CB-CB 4.24Å; I170-L191 PolarHBondContact N-O 3.46Å; I170-L191 PolarHBondContact O-N 3Å; L191-L199 HydrophobicContact CB-CD1 4.16Å; L191-L199 HydrophobicContact CD2-CD1 4.34Å; L191-L199 HydrophobicContact CD2-CD2 4.45Å; L191-L200 CarbonylContact C-O 3.57Å; L191-L200 WeakPolarHBondContact CA-O 3.44Å; L191-M201 HydrophobicContact CD2-CB 3.72Å; L191-M201 HydrophobicContact CD2-CG 3.61Å; L191-M201 HydrophobicContact CD2-SD 4.06Å
192	L	98.6	Very high	97.7	Very high	8 Å²	8	16.6 Å²	16.6	4%	0.042	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	102.1	176.4	-175	67.7	0	0	0	109	V168 F169 L194 L200 I329 V345 F354	V168-L192 CarbonylContact O-C 3.59Å; V168-L192 VanDerWaalsContact O-CA 3.3Å; V168-L192 WeakPolarHBondContact O-CA 3.13Å; F169-L192 HydrophobicContact CB-CD1 4.02Å; F169-L192 HydrophobicContact CD2-CD1 4.13Å; L192-L194 HydrophobicContact CD2-CD2 3.52Å; L192-L194 HydrophobicContact CD2-CG 4.25Å; L192-L194 HydrophobicContact CG-CD2 3.73Å; L192-L194 HydrophobicContact CG-CG 4.17Å; L192-L194 PolarHBondContact O-N 3.15Å; L192-L200 HydrophobicContact CB-CB 4.37Å; L192-L200 HydrophobicContact CD2-CD2 4.37Å; L192-L200 PolarHBondContact N-O 2.96Å; L192-L200 PolarHBondContact O-N 3.3Å; L192-I329 HydrophobicContact CD2-CB 4.47Å; L192-I329 HydrophobicContact CD2-CG1 3.96Å; L192-I329 HydrophobicContact CD2-CG2 3.64Å; L192-V345 HydrophobicContact CD1-CG2 4.22Å; L192-V345 HydrophobicContact CD2-CG2 3.62Å; L192-V345 HydrophobicContact CG-CG2 4.45Å; L192-F354 HydrophobicContact CD1-CD2 4.38Å; L192-F354 HydrophobicContact CD1-CE2 3.64Å; L192-F354 HydrophobicContact CD1-CZ 3.88Å
193	L	98.7	Very high	97.8	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	100.9	172.4	-170.4	69.6	0	0	0	108.1	Y35 L48 F93 M167 V168 H195 L199	Y35-L193 HydrophobicContact CD1-CD2 3.65Å; Y35-L193 HydrophobicContact CE1-CD2 3.44Å; Y35-L193 VanDerWaalsContact CE1-CD2 3.44Å; L48-L193 HydrophobicContact CD2-CB 4.24Å; F93-L193 HydrophobicContact CE2-CD1 3.73Å; F93-L193 HydrophobicContact CZ-CD1 4.03Å; M167-L193 VanDerWaalsContact CA-O 3.25Å; M167-L193 WeakPolarHBondContact CA-O 3.18Å; M167-L193 WeakPolarHBondContact CB-O 3.21Å; V168-L193 HydrophobicContact CB-CB 4Å; V168-L193 HydrophobicContact CG2-CD2 4.38Å; V168-L193 PolarHBondContact N-O 2.89Å; V168-L193 PolarHBondContact O-N 2.84Å; L193-H195 WeakPolarHBondContact CD1-O 3.49Å; L193-L199 HydrophobicContact CB-CD1 4.39Å; L193-L199 HydrophobicContact CD1-CB 4.14Å; L193-L199 HydrophobicContact CD1-CD1 4.42Å
194	L	98.3	Very high	97.8	Very high	8 Å²	8	12.5 Å²	12.5	4%	0.042	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-35.8	-177.1	-67.4	172.1	0	0	0	111.8	M167 L192 L198 L200 L320 Y327 I329 V345	M167-L194 HydrophobicContact SD-CD2 4.19Å; L192-L194 HydrophobicContact CD2-CD2 3.52Å; L192-L194 HydrophobicContact CD2-CG 4.25Å; L192-L194 HydrophobicContact CG-CD2 3.73Å; L192-L194 HydrophobicContact CG-CG 4.17Å; L192-L194 PolarHBondContact O-N 3.15Å; L194-L198 HydrophobicContact CB-CB 4.43Å; L194-L198 HydrophobicContact CB-CD2 4.24Å; L194-L198 HydrophobicContact CB-CG 4.32Å; L194-L198 HydrophobicContact CD1-CD2 4.22Å; L194-L198 HydrophobicContact CD1-CG 4.36Å; L194-L198 PolarHBondContact N-O 3.12Å; L194-L200 HydrophobicContact CD1-CB 4.21Å; L194-L320 HydrophobicContact CD1-CD2 3.65Å; L194-Y327 HydrophobicContact CB-CD1 4.06Å; L194-Y327 HydrophobicContact CB-CE1 3.82Å; L194-Y327 HydrophobicContact CD1-CD1 4.15Å; L194-Y327 HydrophobicContact CD1-CG 4.2Å; L194-Y327 HydrophobicContact CD2-CD1 3.89Å; L194-Y327 HydrophobicContact CD2-CE1 4.4Å; L194-Y327 HydrophobicContact CG-CD1 4.27Å; L194-I329 HydrophobicContact CD1-CD1 4.12Å; L194-I329 HydrophobicContact CD2-CD1 4.5Å; L194-I329 HydrophobicContact CD2-CG1 4.17Å; L194-V345 HydrophobicContact CD2-CG1 3.91Å; L194-V345 HydrophobicContact CD2-CG2 4.27Å
195	H	97.6	Very high	97.9	Very high	49 Å²	49	11.7 Å²	11.7	23%	0.227	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.4	176.6	178.9	-96.4	0	0	0	107.2	N44 L193 Q197 L198	N44-H195 PolarHBondContact OD1-CE1 3.07Å; L193-H195 WeakPolarHBondContact CD1-O 3.49Å; H195-Q197 PolarHBondContact ND1-N 3.15Å; H195-Q197 VanDerWaalsContact ND1-N 3.14Å; H195-Q197 PolarHBondContact O-N 2.72Å; H195-L198 HydrophobicContact CB-CB 3.82Å; H195-L198 PolarHBondContact N-O 2.63Å; H195-L198 CarbonylContact O-C 3.46Å; H195-L198 PolarHBondContact O-N 2.96Å; H195-L198 VanDerWaalsContact O-O 3.11Å
196	P	97.2	Very high	97.9	Very high	33 Å²	33	7.8 Å²	7.8	21%	0.214	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-28.4	176.6	-31.8	37.8	0	0	0	114.3	N44 S46	N44-P196 HydrophobicContact CB-CB 3.92Å; N44-P196 HydrophobicContact CB-CG 4.1Å; N44-P196 WeakPolarHBondContact O-CB 3.1Å; S46-P196 WeakPolarHBondContact CB-O 3.38Å; S46-P196 VanDerWaalsContact OG-C 3.29Å; S46-P196 PolarHBondContact OG-O 3.04Å
197	Q	97.6	Very high	98	Very high	8 Å²	8	7.4 Å²	7.4	4%	0.037	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	9.4	176.8	-61	-175.5	63.7	0	0	114.2	N44 N96 H195 F298 G299 G301 L302	N44-Q197 PolarHBondContact OD1-NE2 3.5Å; N96-Q197 PolarHBondContact ND2-OE1 2.91Å; N96-Q197 WeakPolarHBondContact OD1-CG 3.3Å; N96-Q197 PolarHBondContact OD1-NE2 2.95Å; H195-Q197 PolarHBondContact ND1-N 3.15Å; H195-Q197 VanDerWaalsContact ND1-N 3.14Å; H195-Q197 PolarHBondContact O-N 2.72Å; Q197-F298 CarbonylContact O-C 3.59Å; Q197-F298 WeakPolarHBondContact O-CA 3.38Å; Q197-F298 VanDerWaalsContact O-CB 3.25Å; Q197-F298 WeakPolarHBondContact O-CB 3.14Å; Q197-G299 PolarHBondContact O-N 3.29Å; Q197-G301 VanDerWaalsContact OE1-N 3.08Å; Q197-L302 HydrophobicContact CB-CD1 3.8Å; Q197-L302 HydrophobicContact CB-CG 4.17Å; Q197-L302 WeakPolarHBondContact O-CD1 3.14Å
198	L	98.7	Very high	97.9	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	107.1	-179.1	-169	56.3	0	0	0	111	L194 H195 F297 F298 L302 V304 L320 T322 Y327	L194-L198 HydrophobicContact CB-CB 4.43Å; L194-L198 HydrophobicContact CB-CD2 4.24Å; L194-L198 HydrophobicContact CB-CG 4.32Å; L194-L198 HydrophobicContact CD1-CD2 4.22Å; L194-L198 HydrophobicContact CD1-CG 4.36Å; L194-L198 PolarHBondContact N-O 3.12Å; H195-L198 HydrophobicContact CB-CB 3.82Å; H195-L198 PolarHBondContact N-O 2.63Å; H195-L198 CarbonylContact O-C 3.46Å; H195-L198 PolarHBondContact O-N 2.96Å; H195-L198 VanDerWaalsContact O-O 3.11Å; L198-F297 WeakPolarHBondContact CA-O 3.26Å; L198-F298 HydrophobicContact CD1-CB 3.77Å; L198-F298 HydrophobicContact CD1-CD1 4.45Å; L198-F298 HydrophobicContact CD1-CG 4.44Å; L198-L302 HydrophobicContact CB-CD1 3.56Å; L198-L302 HydrophobicContact CD1-CD1 4.42Å; L198-L302 HydrophobicContact CD2-CD1 4.39Å; L198-L302 HydrophobicContact CG-CD1 4.35Å; L198-V304 HydrophobicContact CD1-CG2 4.35Å; L198-L320 HydrophobicContact CD1-CD2 4.15Å; L198-L320 HydrophobicContact CD2-CD2 3.65Å; L198-L320 HydrophobicContact CD2-CG 4.48Å; L198-L320 HydrophobicContact CG-CD2 4.08Å; L198-T322 HydrophobicContact CD2-CG2 4.12Å; L198-Y327 HydrophobicContact CD2-CD2 4.41Å; L198-Y327 HydrophobicContact CD2-CE2 3.99Å
199	L	98.9	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.9	174.5	174	66.9	0	0	0	109.4	L48 F91 F93 L191 L193 I296 F297	L48-L199 HydrophobicContact CD1-CD1 4.36Å; L48-L199 HydrophobicContact CD1-CD2 3.89Å; L48-L199 HydrophobicContact CD2-CD1 4.26Å; F91-L199 HydrophobicContact CD2-CD2 4.09Å; F91-L199 HydrophobicContact CE2-CD2 3.73Å; F93-L199 HydrophobicContact CB-CD2 3.95Å; F93-L199 HydrophobicContact CD1-CB 4.05Å; F93-L199 HydrophobicContact CD1-CD2 3.89Å; F93-L199 HydrophobicContact CD2-CD2 4.17Å; F93-L199 HydrophobicContact CE1-CB 3.74Å; F93-L199 HydrophobicContact CE1-CD2 4.43Å; F93-L199 HydrophobicContact CE2-CB 4.31Å; F93-L199 HydrophobicContact CG-CB 4.46Å; F93-L199 HydrophobicContact CG-CD2 3.75Å; F93-L199 HydrophobicContact CZ-CB 3.88Å; L191-L199 HydrophobicContact CB-CD1 4.16Å; L191-L199 HydrophobicContact CD2-CD1 4.34Å; L191-L199 HydrophobicContact CD2-CD2 4.45Å; L193-L199 HydrophobicContact CB-CD1 4.39Å; L193-L199 HydrophobicContact CD1-CB 4.14Å; L193-L199 HydrophobicContact CD1-CD1 4.42Å; L199-I296 CarbonylContact O-C 3.53Å; L199-I296 WeakPolarHBondContact O-CA 3.45Å; L199-F297 HydrophobicContact CB-CB 4.25Å; L199-F297 HydrophobicContact CB-CD2 4.43Å; L199-F297 HydrophobicContact CD2-CD2 4.13Å; L199-F297 HydrophobicContact CG-CD2 4.21Å; L199-F297 PolarHBondContact N-O 3.1Å; L199-F297 PolarHBondContact O-N 3.26Å
200	L	98.8	Very high	97.5	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128	166.9	172.4	66.4	0	0	0	108.7	L191 L192 L194 V202 A294 Y295 I296 I318 I329	L191-L200 CarbonylContact C-O 3.57Å; L191-L200 WeakPolarHBondContact CA-O 3.44Å; L192-L200 HydrophobicContact CB-CB 4.37Å; L192-L200 HydrophobicContact CD2-CD2 4.37Å; L192-L200 PolarHBondContact N-O 2.96Å; L192-L200 PolarHBondContact O-N 3.3Å; L194-L200 HydrophobicContact CD1-CB 4.21Å; L200-V202 HydrophobicContact CD1-CG2 4.14Å; L200-V202 HydrophobicContact CD2-CG2 4.34Å; L200-V202 HydrophobicContact CG-CG2 4.1Å; L200-A294 HydrophobicContact CD1-CB 4.11Å; L200-Y295 CarbonylContact C-O 3.51Å; L200-Y295 WeakPolarHBondContact CA-O 3.38Å; L200-I296 HydrophobicContact CD1-CG2 3.92Å; L200-I318 HydrophobicContact CD1-CG2 4.36Å; L200-I318 HydrophobicContact CD2-CB 4.34Å; L200-I318 HydrophobicContact CD2-CD1 4.11Å; L200-I318 HydrophobicContact CD2-CG1 4.22Å; L200-I318 HydrophobicContact CD2-CG2 4.23Å; L200-I329 HydrophobicContact CD2-CB 4.49Å; L200-I329 HydrophobicContact CD2-CD1 4.16Å; L200-I329 HydrophobicContact CD2-CG1 4.26Å; L200-I329 HydrophobicContact CD2-CG2 4.44Å
201	M	98.8	Very high	97.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.9	168	-177.2	177.6	87.5	0	0	109.6	F91 R189 N190 L191 F220 A294 Y295 F297	F91-M201 HydrophobicContact CD1-SD 3.97Å; F91-M201 HydrophobicContact CE1-CE 4.45Å; F91-M201 HydrophobicContact CE1-SD 3.48Å; F91-M201 WeakPolarHBondContact CE1-SD 3.48Å; F91-M201 HydrophobicContact CZ-SD 4.08Å; R189-M201 HydrophobicContact CG-CG 4.11Å; R189-M201 HydrophobicContact CG-SD 4.14Å; N190-M201 CarbonylContact O-C 3.55Å; N190-M201 WeakPolarHBondContact O-CA 3.31Å; L191-M201 HydrophobicContact CD2-CB 3.72Å; L191-M201 HydrophobicContact CD2-CG 3.61Å; L191-M201 HydrophobicContact CD2-SD 4.06Å; M201-F220 HydrophobicContact CE-CE1 3.49Å; M201-F220 VanDerWaalsContact CE-CE1 3.49Å; M201-F220 HydrophobicContact CE-CZ 3.53Å; M201-F220 HydrophobicContact SD-CE1 4.26Å; M201-A294 CarbonylContact O-C 3.57Å; M201-A294 VanDerWaalsContact O-CA 3.28Å; M201-A294 WeakPolarHBondContact O-CA 3.44Å; M201-Y295 HydrophobicContact CB-CD2 4.4Å; M201-Y295 HydrophobicContact CE-CD1 4.35Å; M201-Y295 HydrophobicContact CE-CD2 3.19Å; M201-Y295 HydrophobicContact CE-CE2 3.4Å; M201-Y295 HydrophobicContact CE-CG 3.72Å; M201-Y295 HydrophobicContact CG-CD2 4.43Å; M201-Y295 PolarHBondContact N-O 3.47Å; M201-Y295 PolarHBondContact O-N 2.75Å; M201-F297 HydrophobicContact CB-CE2 3.9Å
202	V	98.6	Very high	97.1	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.1	171.5	-174.8	0	0	0	0	109.9	N190 L200 V293 A294 I318 L331	N190-V202 HydrophobicContact CB-CB 4.35Å; N190-V202 WeakPolarHBondContact CB-O 3.37Å; N190-V202 PolarHBondContact N-O 2.92Å; N190-V202 PolarHBondContact ND2-O 3.44Å; N190-V202 VanDerWaalsContact ND2-O 3.08Å; N190-V202 PolarHBondContact O-N 2.6Å; L200-V202 HydrophobicContact CD1-CG2 4.14Å; L200-V202 HydrophobicContact CD2-CG2 4.34Å; L200-V202 HydrophobicContact CG-CG2 4.1Å; V202-V293 VanDerWaalsContact CA-O 3.31Å; V202-V293 WeakPolarHBondContact CA-O 3.28Å; V202-A294 HydrophobicContact CG2-CB 4.14Å; V202-I318 HydrophobicContact CG2-CD1 4.25Å; V202-L331 HydrophobicContact CB-CD2 3.6Å; V202-L331 HydrophobicContact CG1-CD2 3.77Å; V202-L331 HydrophobicContact CG2-CD2 3.91Å
203	D	98.4	Very high	96.9	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	130.9	168.2	-76.3	-24.5	0	0	0	109.3	F187 Q188 R189 I205 M216 R292 V293	F187-D203 HydrophobicContact CE2-CB 4.31Å; Q188-D203 WeakPolarHBondContact O-CA 3.25Å; R189-D203 WeakPolarHBondContact CB-OD1 3.05Å; R189-D203 WeakPolarHBondContact CG-OD1 3.42Å; R189-D203 IonicContact CZ-OD1 2.81Å; R189-D203 IonicContact CZ-OD2 3.95Å; R189-D203 IonicContact NE-OD1 3.54Å; R189-D203 PolarHBondContact NE-OD1 2.86Å; R189-D203 IonicContact NE-OD2 2.63Å; R189-D203 IonicContact NH2-OD1 2.65Å; R189-D203 PolarHBondContact NH2-OD1 3.17Å; R189-D203 IonicContact NH2-OD2 3.38Å; R189-D203 PolarHBondContact NH2-OD2 2.85Å; D203-I205 HydrophobicContact CB-CD1 3.98Å; D203-M216 HydrophobicContact CB-CE 4.34Å; D203-R292 VanDerWaalsContact O-CA 3.25Å; D203-R292 WeakPolarHBondContact O-CA 3.47Å; D203-V293 PolarHBondContact N-O 2.93Å; D203-V293 PolarHBondContact O-N 3.23Å
204	H	97.4	Very high	96.7	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.2	172.4	170.7	70.6	0	0	0	109.5	Q188 H290 R292 T333	Q188-H204 HydrophobicContact CB-CB 4.25Å; Q188-H204 PolarHBondContact N-O 2.89Å; Q188-H204 PolarHBondContact O-N 3.46Å; H204-H290 AromaticContact CE1-CG 3.8Å; H204-H290 AromaticContact CE1-ND1 3.56Å; H204-R292 HydrophobicContact CB-CG 4.03Å; H204-R292 WeakPolarHBondContact ND1-CD 3.27Å; H204-R292 VanDerWaalsContact ND1-CG 3.25Å; H204-R292 WeakPolarHBondContact ND1-CG 3.35Å; H204-T333 HydrophobicContact CB-CG2 4Å
205	I	97.3	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.3	-179.8	-58.9	80.4	0	0	0	107.2	F119 I184 N186 F187 D203 L207 M216 L286 H290 T291	F119-I205 HydrophobicContact CE1-CG1 4.13Å; F119-I205 HydrophobicContact CE1-CG2 4.25Å; F119-I205 HydrophobicContact CZ-CG1 4.43Å; I184-I205 HydrophobicContact CG2-CG2 4.35Å; N186-I205 WeakPolarHBondContact O-CA 3.23Å; F187-I205 HydrophobicContact CD2-CD1 4.46Å; F187-I205 HydrophobicContact CD2-CG1 4.02Å; F187-I205 HydrophobicContact CE2-CG1 4.45Å; D203-I205 HydrophobicContact CB-CD1 3.98Å; I205-L207 HydrophobicContact CG2-CD2 3.79Å; I205-L207 HydrophobicContact CG2-CG 4.29Å; I205-M216 HydrophobicContact CD1-CE 3.88Å; I205-M216 HydrophobicContact CD1-SD 3.38Å; I205-M216 WeakPolarHBondContact CD1-SD 3.38Å; I205-M216 HydrophobicContact CG1-SD 4.1Å; I205-L286 HydrophobicContact CB-CD2 4.22Å; I205-L286 HydrophobicContact CG1-CD2 4.32Å; I205-L286 HydrophobicContact CG2-CD2 4.18Å; I205-H290 CarbonylContact O-C 3.5Å; I205-H290 VanDerWaalsContact O-CA 3.31Å; I205-H290 WeakPolarHBondContact O-CA 3.45Å; I205-T291 PolarHBondContact N-O 3.08Å; I205-T291 PolarHBondContact O-N 2.72Å
206	H	95.9	Very high	96.5	Very high	27 Å²	27	24.8 Å²	24.8	13%	0.125	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121	172.5	-175.6	-174.3	0	0	0	108.5	R185 N186 P289 H290	R185-H206 HydrophobicContact CB-CB 4.39Å; R185-H206 VanDerWaalsContact CD-CE1 3.46Å; R185-H206 WeakPolarHBondContact CD-CE1 3.44Å; R185-H206 PolarHBondContact N-O 3.16Å; N186-H206 HydrophobicContact CB-CB 3.87Å; N186-H206 PolarHBondContact N-O 2.84Å; N186-H206 PolarHBondContact O-N 3.06Å; N186-H206 PolarHBondContact OD1-ND1 2.83Å; H206-P289 WeakPolarHBondContact CA-O 3.26Å; H206-H290 AromaticContact CD2-CE1 3.24Å; H206-H290 PolarHBondContact CD2-CE1 2.97Å; H206-H290 AromaticContact CD2-ND1 3.39Å; H206-H290 PolarHBondContact CD2-ND1 2.89Å; H206-H290 AromaticContact CE1-CE1 3.61Å; H206-H290 AromaticContact CG-CE1 3.43Å; H206-H290 VanDerWaalsContact CG-CE1 3.43Å; H206-H290 AromaticContact CG-ND1 3.46Å; H206-H290 AromaticContact ND1-CE1 3.68Å; H206-H290 AromaticContact NE2-CE1 3.37Å; H206-H290 PolarHBondContact NE2-CE1 2.92Å
207	L	96.3	Very high	96.5	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.3	179.2	-60.4	-178.1	0	0	0	110.8	I184 I205 T213 L286 Y288 P289	I184-L207 HydrophobicContact CG1-CD2 3.97Å; I205-L207 HydrophobicContact CG2-CD2 3.79Å; I205-L207 HydrophobicContact CG2-CG 4.29Å; L207-T213 HydrophobicContact CD1-CG2 4.11Å; L207-T213 HydrophobicContact CD2-CG2 3.55Å; L207-L286 HydrophobicContact CD1-CB 4.12Å; L207-L286 HydrophobicContact CD1-CD1 4.43Å; L207-Y288 HydrophobicContact CB-CD2 4.2Å; L207-Y288 WeakPolarHBondContact O-CE2 3.43Å; L207-P289 PolarHBondContact N-O 2.83Å
208	D	95.9	Very high	96.6	Very high	53 Å²	53	22.8 Å²	22.8	28%	0.283	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-72.3	156.3	168.4	-78.3	-42.6	0	0	0	111.4	K183 R185 G210 S211	K183-D208 HydrophobicContact CB-CB 4.09Å; K183-D208 PolarHBondContact O-N 2.98Å; R185-D208 WeakPolarHBondContact CD-OD1 3.26Å; D208-G210 PolarHBondContact O-N 2.82Å; D208-S211 WeakPolarHBondContact O-CB 3.48Å; D208-S211 PolarHBondContact O-N 3.45Å; D208-S211 VanDerWaalsContact O-N 3.08Å
209	P	94.6	Very high	96.6	Very high	91 Å²	91	23.3 Å²	23.3	59%	0.591	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	128.6	172.5	-23.7	29.7	0	0	0	112.2	S211 Y288	P209-S211 VanDerWaalsContact C-N 3.33Å; P209-S211 PolarHBondContact O-N 2.87Å; P209-Y288 WeakPolarHBondContact CG-OH 3.34Å
210	G	92	Very high	96.6	Very high	59 Å²	59	23.3 Å²	23.3	61%	0.608	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	23.5	179.2	0	0	0	0	0	114.4	K183 D208	K183-G210 WeakPolarHBondContact CD-O 3.4Å; K183-G210 PolarHBondContact NZ-O 2.83Å; D208-G210 PolarHBondContact O-N 2.82Å
211	S	95.4	Very high	96.6	Very high	5 Å²	5	23.2 Å²	23.2	4%	0.035	14%	0.136	C	C	.	.			trans	-52.8	138.6	164.7	173.7	0	0	0	0	111.2	L182 D208 P209 T213 R214	L182-S211 PolarHBondContact O-OG 3.35Å; D208-S211 WeakPolarHBondContact O-CB 3.48Å; D208-S211 PolarHBondContact O-N 3.45Å; D208-S211 VanDerWaalsContact O-N 3.08Å; P209-S211 VanDerWaalsContact C-N 3.33Å; P209-S211 PolarHBondContact O-N 2.87Å; S211-T213 WeakPolarHBondContact OG-CG2 3.42Å; S211-T213 PolarHBondContact OG-N 3.49Å; S211-R214 PolarHBondContact O-NH1 2.71Å; S211-R214 PolarHBondContact O-NH2 2.98Å; S211-R214 VanDerWaalsContact O-NH2 3.17Å
212	P	93.4	Very high	96.6	Very high	52 Å²	52	23.3 Å²	23.3	34%	0.338	14%	0.136	S	C	.	.			trans	-82.1	-15.4	174.5	33.2	-35.1	0	0	0	112.8	E181	E181-P212 WeakPolarHBondContact O-CD 3.21Å; E181-P212 WeakPolarHBondContact O-CG 3.49Å
213	T	94.1	Very high	96.4	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	15%	0.145	C	C	.	.			trans	-76.7	138.6	-175.2	-163.9	0	0	0	0	112	G120 L207 S211 A215 L286	G120-T213 PolarHBondContact N-OG1 3.49Å; G120-T213 WeakPolarHBondContact O-CA 3.25Å; G120-T213 VanDerWaalsContact O-CB 3.24Å; G120-T213 WeakPolarHBondContact O-CB 3.36Å; G120-T213 PolarHBondContact O-OG1 3.45Å; L207-T213 HydrophobicContact CD1-CG2 4.11Å; L207-T213 HydrophobicContact CD2-CG2 3.55Å; S211-T213 WeakPolarHBondContact OG-CG2 3.42Å; S211-T213 PolarHBondContact OG-N 3.49Å; T213-A215 PolarHBondContact OG1-O 3.12Å; T213-L286 HydrophobicContact CG2-CD1 3.53Å
214	R	94.5	Very high	96.3	Very high	158 Å²	158	31.9 Å²	31.9	60%	0.596	18%	0.179	S	C	*	.			trans	-128.2	-7.6	-175.7	-63.1	-68.5	175.4	-87.2	-3.7	113.5	S211 P285 L286	S211-R214 PolarHBondContact O-NH1 2.71Å; S211-R214 PolarHBondContact O-NH2 2.98Å; S211-R214 VanDerWaalsContact O-NH2 3.17Å; R214-P285 WeakPolarHBondContact O-CA 3.23Å; R214-L286 PolarHBondContact O-N 2.97Å
215	A	96.1	Very high	96.3	Very high	22 Å²	22	33.8 Å²	33.8	18%	0.182	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	152.8	-178.6	0	0	0	0	0	110	G120 W131 T213 M284	G120-A215 PolarHBondContact N-O 3.07Å; W131-A215 HydrophobicContact CH2-CB 4.03Å; W131-A215 HydrophobicContact CZ3-CB 4.13Å; T213-A215 PolarHBondContact OG1-O 3.12Å; A215-M284 CarbonylContact C-O 3.51Å; A215-M284 VanDerWaalsContact CA-O 3.25Å; A215-M284 WeakPolarHBondContact CA-O 3.33Å
216	M	97	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.7	166.8	65.7	179.4	-75.5	0	0	109.7	A117 L118 F119 D203 I205 T283 M284 L286 V293	A117-M216 HydrophobicContact CB-CE 4.21Å; L118-M216 CarbonylContact O-C 3.51Å; L118-M216 VanDerWaalsContact O-CA 3.26Å; L118-M216 WeakPolarHBondContact O-CA 3.25Å; F119-M216 HydrophobicContact CD1-CB 4.01Å; F119-M216 HydrophobicContact CE1-CB 4.01Å; D203-M216 HydrophobicContact CB-CE 4.34Å; I205-M216 HydrophobicContact CD1-CE 3.88Å; I205-M216 HydrophobicContact CD1-SD 3.38Å; I205-M216 WeakPolarHBondContact CD1-SD 3.38Å; I205-M216 HydrophobicContact CG1-SD 4.1Å; M216-T283 WeakPolarHBondContact O-CA 2.99Å; M216-M284 HydrophobicContact CE-CE 4.49Å; M216-M284 HydrophobicContact CE-SD 4.07Å; M216-M284 HydrophobicContact CG-CE 4.36Å; M216-M284 HydrophobicContact CG-CG 3.24Å; M216-M284 HydrophobicContact CG-SD 3.69Å; M216-M284 PolarHBondContact N-O 2.82Å; M216-M284 PolarHBondContact O-N 2.84Å; M216-M284 HydrophobicContact SD-CG 3.84Å; M216-M284 HydrophobicContact SD-SD 3.6Å; M216-L286 HydrophobicContact CB-CD1 4.34Å; M216-L286 HydrophobicContact CB-CD2 4.04Å; M216-L286 HydrophobicContact CB-CG 4.25Å; M216-L286 HydrophobicContact CG-CD2 3.85Å; M216-L286 HydrophobicContact CG-CG 4.38Å; M216-L286 HydrophobicContact SD-CD2 3.8Å; M216-V293 HydrophobicContact SD-CG2 4.41Å
217	S	97.7	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	112.1	177.5	173.7	0	0	0	0	108.4	A117 L118 F219 N281 V282	A117-S217 CarbonylContact C-O 3.59Å; A117-S217 WeakPolarHBondContact CA-O 3.45Å; L118-S217 PolarHBondContact N-O 2.92Å; L118-S217 PolarHBondContact O-N 2.89Å; S217-F219 VanDerWaalsContact OG-CE2 3.23Å; S217-F219 WeakPolarHBondContact OG-CE2 3.49Å; S217-N281 PolarHBondContact OG-ND2 3.28Å; S217-N281 VanDerWaalsContact OG-ND2 3.12Å; S217-N281 PolarHBondContact OG-OD1 2.79Å; S217-V282 WeakPolarHBondContact CA-O 3.48Å
218	A	98.3	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.3	179.7	0	0	0	0	0	110.5	F220 N281 V282 Y295	A218-F220 HydrophobicContact CB-CE2 3.93Å; A218-F220 HydrophobicContact CB-CZ 4.08Å; A218-N281 WeakPolarHBondContact O-CA 3.28Å; A218-V282 PolarHBondContact N-O 3.15Å; A218-V282 PolarHBondContact O-N 2.81Å; A218-Y295 WeakPolarHBondContact CB-OH 3.23Å
219	F	98.6	Very high	96.7	Very high	11 Å²	11	41.2 Å²	41.2	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	143.3	-179.9	-74.9	-103	0	0	0	111.3	L112 N115 V116 L118 S217 Y279 V280 N281	L112-F219 HydrophobicContact CB-CD1 4.18Å; L112-F219 HydrophobicContact CB-CD2 4.29Å; L112-F219 HydrophobicContact CB-CE1 3.85Å; L112-F219 HydrophobicContact CB-CE2 3.99Å; L112-F219 HydrophobicContact CB-CG 4.39Å; L112-F219 HydrophobicContact CB-CZ 3.74Å; L112-F219 WeakPolarHBondContact O-CD1 3.47Å; N115-F219 CarbonylContact C-O 3.53Å; N115-F219 VanDerWaalsContact CA-O 3.24Å; N115-F219 WeakPolarHBondContact CA-O 3.39Å; V116-F219 PolarHBondContact O-N 3.09Å; L118-F219 HydrophobicContact CD1-CD2 3.66Å; L118-F219 HydrophobicContact CD1-CE2 3.67Å; S217-F219 VanDerWaalsContact OG-CE2 3.23Å; S217-F219 WeakPolarHBondContact OG-CE2 3.49Å; F219-Y279 HydrophobicContact CD1-CD2 4.03Å; F219-Y279 HydrophobicContact CD1-CG 4.42Å; F219-Y279 HydrophobicContact CE1-CD2 4.04Å; F219-Y279 HydrophobicContact CE1-CE2 4.21Å; F219-V280 CarbonylContact C-O 3.54Å; F219-V280 WeakPolarHBondContact CA-O 3.45Å; F219-N281 HydrophobicContact CD1-CB 4.2Å; F219-N281 HydrophobicContact CE1-CB 3.85Å; F219-N281 HydrophobicContact CZ-CB 4.04Å; F219-N281 WeakPolarHBondContact CZ-ND2 3.48Å
220	F	98.8	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	126.5	176.5	-54.1	-84.9	0	0	0	109.4	F91 I101 N115 M201 A218 M249 Y279 V280 V282 Y295 F297	F91-F220 AromaticContact CE1-CD1 3.95Å; F91-F220 HydrophobicContact CE1-CD1 3.95Å; F91-F220 AromaticContact CE1-CE1 3.82Å; F91-F220 HydrophobicContact CE1-CE1 3.82Å; F91-F220 HydrophobicContact CZ-CD1 4.03Å; F91-F220 HydrophobicContact CZ-CE1 4.07Å; I101-F220 HydrophobicContact CD1-CB 4.24Å; N115-F220 WeakPolarHBondContact OD1-CA 3.47Å; M201-F220 HydrophobicContact CE-CE1 3.49Å; M201-F220 VanDerWaalsContact CE-CE1 3.49Å; M201-F220 HydrophobicContact CE-CZ 3.53Å; M201-F220 HydrophobicContact SD-CE1 4.26Å; A218-F220 HydrophobicContact CB-CE2 3.93Å; A218-F220 HydrophobicContact CB-CZ 4.08Å; F220-M249 HydrophobicContact CB-CE 4.32Å; F220-M249 HydrophobicContact CB-SD 4.41Å; F220-M249 HydrophobicContact CD1-CE 4.22Å; F220-M249 HydrophobicContact CD2-CE 3.58Å; F220-M249 HydrophobicContact CE1-CE 4.45Å; F220-M249 HydrophobicContact CE2-CE 3.85Å; F220-M249 HydrophobicContact CG-CE 3.77Å; F220-M249 HydrophobicContact CG-SD 4.47Å; F220-M249 HydrophobicContact CZ-CE 4.28Å; F220-Y279 CarbonylContact O-C 3.57Å; F220-Y279 WeakPolarHBondContact O-CA 3.33Å; F220-V280 HydrophobicContact CB-CB 4.37Å; F220-V280 HydrophobicContact CD2-CB 4.42Å; F220-V280 PolarHBondContact N-O 2.91Å; F220-V280 PolarHBondContact O-N 3.33Å; F220-V282 HydrophobicContact CD2-CG2 4.21Å; F220-V282 HydrophobicContact CE2-CB 4.41Å; F220-V282 HydrophobicContact CE2-CG2 3.86Å; F220-Y295 HydrophobicContact CE1-CD1 4.48Å; F220-Y295 AromaticContact CE2-CD1 3.86Å; F220-Y295 HydrophobicContact CE2-CD1 3.86Å; F220-Y295 AromaticContact CE2-CE1 3.64Å; F220-Y295 HydrophobicContact CE2-CE1 3.64Å; F220-Y295 AromaticContact CZ-CD1 3.5Å; F220-Y295 HydrophobicContact CZ-CD1 3.5Å; F220-Y295 VanDerWaalsContact CZ-CD1 3.5Å; F220-Y295 AromaticContact CZ-CE1 3.48Å; F220-Y295 HydrophobicContact CZ-CE1 3.48Å; F220-Y295 VanDerWaalsContact CZ-CE1 3.48Å; F220-Y295 HydrophobicContact CZ-CE2 4.49Å; F220-Y295 HydrophobicContact CZ-CG 4.06Å; F220-Y295 AromaticContact CZ-CZ 3.99Å; F220-F297 AromaticContact CD1-CE1 3.96Å; F220-F297 HydrophobicContact CD1-CE1 3.96Å; F220-F297 AromaticContact CD1-CZ 3.83Å; F220-F297 HydrophobicContact CD1-CZ 3.83Å; F220-F297 HydrophobicContact CE1-CE1 4.16Å; F220-F297 AromaticContact CE1-CZ 3.56Å; F220-F297 HydrophobicContact CE1-CZ 3.56Å; F220-F297 HydrophobicContact CZ-CZ 4.25Å
221	H	98.8	Very high	97.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.6	-168.4	-73.6	-97.6	0	0	0	112.8	I101 T102 L112 N115 S277 N278	I101-H221 CarbonylContact C-O 3.46Å; I101-H221 WeakPolarHBondContact CA-O 3.4Å; T102-H221 PolarHBondContact N-O 2.91Å; T102-H221 WeakPolarHBondContact O-CB 3.41Å; L112-H221 PolarHBondContact O-CE1 2.91Å; L112-H221 VanDerWaalsContact O-CE1 3.3Å; L112-H221 PolarHBondContact O-NE2 2.89Å; N115-H221 WeakPolarHBondContact OD1-CB 3.31Å; N115-H221 PolarHBondContact OD1-CD2 3.39Å; N115-H221 PolarHBondContact OD1-N 3.49Å; H221-S277 PolarHBondContact ND1-OG 3.31Å; H221-S277 VanDerWaalsContact ND1-OG 3.07Å; H221-N278 WeakPolarHBondContact CA-O 3.33Å
222	N	98.6	Very high	97.1	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	116.4	163	-169.2	-52.1	0	0	0	107.9	P99 F100 T102 E224 L225 F227 V240 N278	P99-N222 PolarHBondContact O-ND2 3.36Å; F100-N222 PolarHBondContact O-ND2 3.2Å; T102-N222 WeakPolarHBondContact OG1-CA 3.03Å; N222-E224 VanDerWaalsContact C-N 3.3Å; N222-E224 PolarHBondContact O-N 2.84Å; N222-E224 PolarHBondContact OD1-N 3.35Å; N222-E224 VanDerWaalsContact OD1-N 3.07Å; N222-L225 WeakPolarHBondContact CB-O 3.47Å; N222-L225 PolarHBondContact OD1-N 3.46Å; N222-F227 HydrophobicContact CB-CD2 4.43Å; N222-F227 HydrophobicContact CB-CE2 3.6Å; N222-F227 HydrophobicContact CB-CZ 3.78Å; N222-V240 HydrophobicContact CB-CG1 4.45Å; N222-N278 PolarHBondContact N-O 3.33Å; N222-N278 WeakPolarHBondContact O-CA 3.5Å; N222-N278 WeakPolarHBondContact O-CB 3.04Å; N222-N278 PolarHBondContact O-N 3.39Å; N222-N278 PolarHBondContact O-ND2 3.24Å
223	T	96.3	Very high	97	Very high	32 Å²	32	49.7 Å²	49.7	20%	0.196	26%	0.256	C	S	.	.	S	Bend	trans	-73.4	-23.2	-173.3	39.5	0	0	0	0	113.6	T102 E103 L105	T102-T223 PolarHBondContact OG1-N 2.98Å; T102-T223 PolarHBondContact OG1-OG1 3.04Å; E103-T223 WeakPolarHBondContact O-CG2 3.41Å; L105-T223 HydrophobicContact CD1-CG2 4.2Å; L105-T223 HydrophobicContact CG-CG2 4.12Å
224	E	95.9	Very high	96.9	Very high	150 Å²	150	51.8 Å²	51.8	70%	0.701	28%	0.278	S	S	*	.	S	Bend	trans	-107.1	-45.6	-173.9	-62.1	-173.3	172.1	0	0	112.2	N222	N222-E224 VanDerWaalsContact C-N 3.3Å; N222-E224 PolarHBondContact O-N 2.84Å; N222-E224 PolarHBondContact OD1-N 3.35Å; N222-E224 VanDerWaalsContact OD1-N 3.07Å
225	L	97.7	Very high	97.1	Very high	42 Å²	42	45.5 Å²	45.5	22%	0.22	26%	0.256	C	S	.	.	S	Bend	trans	-107	130.2	-170.4	-61.2	176.2	0	0	0	111.7	N222 V240 H242 N278	N222-L225 WeakPolarHBondContact CB-O 3.47Å; N222-L225 PolarHBondContact OD1-N 3.46Å; L225-V240 HydrophobicContact CB-CB 3.97Å; L225-V240 HydrophobicContact CB-CG1 4.15Å; L225-V240 HydrophobicContact CD1-CB 4.31Å; L225-V240 HydrophobicContact CD1-CG2 4.24Å; L225-H242 HydrophobicContact CD1-CB 4.07Å; L225-N278 PolarHBondContact O-ND2 3.37Å
226	P	97.9	Very high	97.2	Very high	74 Å²	74	46 Å²	46	48%	0.481	26%	0.255	S	S	.	.			trans	-72.6	141.7	175.3	30	-34.1	0	0	0	111.7	N278	P226-N278 VanDerWaalsContact CA-CG 3.47Å; P226-N278 WeakPolarHBondContact CA-OD1 3.21Å
227	F	98.7	Very high	97.2	Very high	12 Å²	12	46 Å²	46	5%	0.053	26%	0.256	C	S	.	.			trans	-78.2	142.4	172.7	-70.4	-85.4	0	0	0	111.7	F100 I101 N222 A238 F239 V240 M249 V263 N278 V280	F100-F227 AromaticContact CE2-CE1 3.9Å; F100-F227 HydrophobicContact CE2-CE1 3.9Å; I101-F227 HydrophobicContact CD1-CE1 4.42Å; I101-F227 HydrophobicContact CD1-CZ 4.17Å; N222-F227 HydrophobicContact CB-CD2 4.43Å; N222-F227 HydrophobicContact CB-CE2 3.6Å; N222-F227 HydrophobicContact CB-CZ 3.78Å; F227-A238 HydrophobicContact CB-CB 4.4Å; F227-A238 HydrophobicContact CD1-CB 4.09Å; F227-F239 CarbonylContact C-O 3.46Å; F227-F239 WeakPolarHBondContact CA-O 3.39Å; F227-V240 HydrophobicContact CD1-CG1 3.56Å; F227-V240 HydrophobicContact CD2-CG1 4.48Å; F227-V240 HydrophobicContact CE1-CG1 3.7Å; F227-V240 HydrophobicContact CG-CG1 3.98Å; F227-V240 HydrophobicContact CZ-CG1 4.23Å; F227-M249 HydrophobicContact CE1-SD 4.21Å; F227-V263 HydrophobicContact CB-CB 4.22Å; F227-V263 HydrophobicContact CB-CG1 3.82Å; F227-N278 HydrophobicContact CD2-CB 4.32Å; F227-V280 HydrophobicContact CB-CG2 3.71Å; F227-V280 HydrophobicContact CD1-CG2 3.38Å; F227-V280 HydrophobicContact CD2-CG2 3.58Å; F227-V280 HydrophobicContact CE1-CG2 3.78Å; F227-V280 HydrophobicContact CE2-CG2 3.94Å; F227-V280 HydrophobicContact CG-CG2 3.27Å; F227-V280 HydrophobicContact CZ-CG2 4.04Å
228	Q	98.4	Very high	97.3	Very high	97 Å²	97	46 Å²	46	45%	0.453	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133	170.6	-64.6	177.6	47.6	0	0	109.3	A238 F239	Q228-A238 CarbonylContact O-C 3.53Å; Q228-A238 WeakPolarHBondContact O-CA 3.44Å; Q228-F239 HydrophobicContact CB-CD1 4.06Å; Q228-F239 HydrophobicContact CB-CE1 3.56Å; Q228-F239 HydrophobicContact CB-CE2 4.1Å; Q228-F239 HydrophobicContact CB-CZ 3.58Å; Q228-F239 HydrophobicContact CG-CE2 4.5Å; Q228-F239 HydrophobicContact CG-CZ 4.25Å; Q228-F239 PolarHBondContact N-O 3.48Å; Q228-F239 WeakPolarHBondContact O-CD1 3.46Å; Q228-F239 PolarHBondContact O-N 2.81Å; Q228-F239 VanDerWaalsContact OE1-CZ 3.31Å
229	S	98	Very high	97.3	Very high	57 Å²	57	47.5 Å²	47.5	40%	0.399	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	144.5	177	-56.4	0	0	0	0	111.3
230	T	97.8	Very high	97.3	Very high	43 Å²	43	47 Å²	47	26%	0.264	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	165.6	173	-172.3	0	0	0	0	110.8	G237 F239 F250	T230-G237 PolarHBondContact N-O 2.98Å; T230-G237 PolarHBondContact O-N 2.98Å; T230-G237 VanDerWaalsContact O-O 3.09Å; T230-F239 HydrophobicContact CG2-CD1 4.07Å; T230-F250 HydrophobicContact CG2-CE1 3.85Å; T230-F250 HydrophobicContact CG2-CZ 3.75Å
231	K	97.1	Very high	97.3	Very high	121 Å²	121	49.3 Å²	49.3	53%	0.526	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	131.1	175.5	-172.8	-179.1	-177	174.7	0	109.4	G234 V235	K231-G234 VanDerWaalsContact CE-CA 3.46Å; K231-G234 WeakPolarHBondContact CE-O 3.23Å; K231-V235 WeakPolarHBondContact CA-O 3.25Å
232	V	95.3	Very high	97.1	Very high	70 Å²	70	53.6 Å²	53.6	42%	0.424	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.1	177.5	-179.2	0	0	0	0	107.6	G234 V235 F250	V232-G234 PolarHBondContact O-N 2.83Å; V232-V235 PolarHBondContact N-O 2.78Å; V232-V235 WeakPolarHBondContact O-CA 3.36Å; V232-V235 WeakPolarHBondContact O-CB 3.38Å; V232-V235 PolarHBondContact O-N 2.79Å; V232-F250 HydrophobicContact CB-CE1 4.05Å; V232-F250 HydrophobicContact CB-CZ 4.34Å; V232-F250 HydrophobicContact CG2-CE1 3.84Å; V232-F250 HydrophobicContact CG2-CZ 3.77Å
233	D	91.8	Very high	96.9	Very high	152 Å²	152	56.9 Å²	56.9	81%	0.813	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	40.5	176.2	-56.5	-32.4	0	0	0	115	V235	D233-V235 VanDerWaalsContact C-N 3.28Å; D233-V235 PolarHBondContact O-N 2.83Å
234	G	92.4	Very high	96.7	Very high	45 Å²	45	65.2 Å²	65.2	46%	0.464	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	-16.9	-179.1	0	0	0	0	0	114.8	K231 V232	K231-G234 VanDerWaalsContact CE-CA 3.46Å; K231-G234 WeakPolarHBondContact CE-O 3.23Å; V232-G234 PolarHBondContact O-N 2.83Å
235	V	97.1	Very high	96.8	Very high	25 Å²	25	62.9 Å²	62.9	15%	0.152	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.1	-178.6	-168.7	0	0	0	0	110.2	K231 V232 D233 F250 W251 M252 F307	K231-V235 WeakPolarHBondContact CA-O 3.25Å; V232-V235 PolarHBondContact N-O 2.78Å; V232-V235 WeakPolarHBondContact O-CA 3.36Å; V232-V235 WeakPolarHBondContact O-CB 3.38Å; V232-V235 PolarHBondContact O-N 2.79Å; D233-V235 VanDerWaalsContact C-N 3.28Å; D233-V235 PolarHBondContact O-N 2.83Å; V235-F250 HydrophobicContact CB-CD1 4.43Å; V235-F250 HydrophobicContact CG1-CB 4.01Å; V235-F250 HydrophobicContact CG1-CD1 4.14Å; V235-W251 WeakPolarHBondContact CG1-O 3.26Å; V235-M252 HydrophobicContact CB-CE 4.32Å; V235-M252 HydrophobicContact CG1-CE 3.81Å; V235-M252 HydrophobicContact CG2-CE 3.46Å; V235-M252 VanDerWaalsContact CG2-CE 3.46Å; V235-F307 HydrophobicContact CG1-CD1 4.47Å
236	H	98.4	Very high	96.8	Very high	32 Å²	32	63.6 Å²	63.6	15%	0.148	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	149	175.8	-65.5	88.1	0	0	0	111.3	F250 W251 S258	H236-F250 WeakPolarHBondContact O-CA 3.44Å; H236-W251 HydrophobicContact CB-CZ2 3.91Å; H236-W251 PolarHBondContact O-N 2.87Å; H236-S258 WeakPolarHBondContact CB-OG 3.38Å; H236-S258 PolarHBondContact CE1-O 3.46Å; H236-S258 VanDerWaalsContact CE1-O 3.26Å; H236-S258 PolarHBondContact N-OG 2.82Å; H236-S258 PolarHBondContact ND1-O 2.85Å
237	G	98.5	Very high	96.8	Very high	2 Å²	2	60.2 Å²	60.2	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	-178.5	-179.7	0	0	0	0	0	112.7	T230 M249 W251	T230-G237 PolarHBondContact N-O 2.98Å; T230-G237 PolarHBondContact O-N 2.98Å; T230-G237 VanDerWaalsContact O-O 3.09Å; G237-M249 CarbonylContact C-O 3.59Å; G237-M249 WeakPolarHBondContact CA-O 3.4Å; G237-W251 VanDerWaalsContact CA-CZ3 3.49Å
238	A	98.8	Very high	96.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.2	170.4	0	0	0	0	0	109.8	F227 Q228 K248 M249 W251 V263 V280	F227-A238 HydrophobicContact CB-CB 4.4Å; F227-A238 HydrophobicContact CD1-CB 4.09Å; Q228-A238 CarbonylContact O-C 3.53Å; Q228-A238 WeakPolarHBondContact O-CA 3.44Å; A238-K248 CarbonylContact O-C 3.53Å; A238-M249 HydrophobicContact CB-CG 4.04Å; A238-M249 HydrophobicContact CB-SD 4.4Å; A238-M249 PolarHBondContact N-O 2.95Å; A238-M249 WeakPolarHBondContact O-CG 3.38Å; A238-M249 PolarHBondContact O-N 2.78Å; A238-W251 HydrophobicContact CB-CH2 4.25Å; A238-W251 HydrophobicContact CB-CZ3 4.19Å; A238-V263 HydrophobicContact CB-CG1 4.43Å; A238-V280 HydrophobicContact CB-CG1 4.29Å; A238-V280 HydrophobicContact CB-CG2 3.67Å
239	F	98.6	Very high	96.8	Very high	31 Å²	31	58.5 Å²	58.5	14%	0.136	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.7	173.6	69.9	-83.2	0	0	0	111.6	F227 Q228 T230 N246 Y247 K248	F227-F239 CarbonylContact C-O 3.46Å; F227-F239 WeakPolarHBondContact CA-O 3.39Å; Q228-F239 HydrophobicContact CB-CD1 4.06Å; Q228-F239 HydrophobicContact CB-CE1 3.56Å; Q228-F239 HydrophobicContact CB-CE2 4.1Å; Q228-F239 HydrophobicContact CB-CZ 3.58Å; Q228-F239 HydrophobicContact CG-CE2 4.5Å; Q228-F239 HydrophobicContact CG-CZ 4.25Å; Q228-F239 PolarHBondContact N-O 3.48Å; Q228-F239 WeakPolarHBondContact O-CD1 3.46Å; Q228-F239 PolarHBondContact O-N 2.81Å; Q228-F239 VanDerWaalsContact OE1-CZ 3.31Å; T230-F239 HydrophobicContact CG2-CD1 4.07Å; F239-N246 HydrophobicContact CD2-CB 4.09Å; F239-Y247 CarbonylContact C-O 3.43Å; F239-Y247 WeakPolarHBondContact CA-O 3.25Å; F239-Y247 WeakPolarHBondContact CB-O 3.4Å; F239-K248 HydrophobicContact CB-CB 4.35Å; F239-K248 HydrophobicContact CB-CG 3.9Å
240	V	98.6	Very high	96.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	150.7	165	-58.4	0	0	0	0	109	F100 N222 L225 F227 N246 Y247	F100-V240 HydrophobicContact CD2-CG2 3.58Å; F100-V240 HydrophobicContact CE2-CG1 4.44Å; F100-V240 HydrophobicContact CE2-CG2 3.88Å; N222-V240 HydrophobicContact CB-CG1 4.45Å; L225-V240 HydrophobicContact CB-CB 3.97Å; L225-V240 HydrophobicContact CB-CG1 4.15Å; L225-V240 HydrophobicContact CD1-CB 4.31Å; L225-V240 HydrophobicContact CD1-CG2 4.24Å; F227-V240 HydrophobicContact CD1-CG1 3.56Å; F227-V240 HydrophobicContact CD2-CG1 4.48Å; F227-V240 HydrophobicContact CE1-CG1 3.7Å; F227-V240 HydrophobicContact CG-CG1 3.98Å; F227-V240 HydrophobicContact CZ-CG1 4.23Å; V240-N246 WeakPolarHBondContact O-CA 3.14Å; V240-Y247 PolarHBondContact N-O 3.46Å; V240-Y247 PolarHBondContact O-N 2.72Å
241	T	98.1	Very high	96.9	Very high	49 Å²	49	54.9 Å²	54.9	30%	0.301	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.8	177	-56.6	0	0	0	0	109.5	E245 N246	T241-E245 WeakPolarHBondContact CA-O 3.29Å; T241-N246 PolarHBondContact OG1-OD1 2.87Å
242	H	96	Very high	96.9	Very high	90 Å²	90	49.4 Å²	49.4	42%	0.417	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	111.5	173.3	179.1	-106.9	0	0	0	108.7	V98 L225 K244 E245 Y247	V98-H242 HydrophobicContact CG1-CB 3.94Å; L225-H242 HydrophobicContact CD1-CB 4.07Å; H242-K244 PolarHBondContact O-N 3.07Å; H242-K244 VanDerWaalsContact O-N 3.11Å; H242-E245 PolarHBondContact N-O 2.66Å; H242-E245 PolarHBondContact O-N 2.81Å; H242-Y247 HydrophobicContact CB-CD2 4.29Å; H242-Y247 HydrophobicContact CB-CE2 4.04Å
243	G	93.5	Very high	96.9	Very high	70 Å²	70	46.3 Å²	46.3	72%	0.722	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	-111.9	-169.5	0	0	0	0	0	111.4
244	K	93	Very high	96.9	Very high	208 Å²	208	40 Å²	40	90%	0.904	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.6	1.9	176.3	-63.9	-176.7	-179.4	179.1	0	113.2	H242	H242-K244 PolarHBondContact O-N 3.07Å; H242-K244 VanDerWaalsContact O-N 3.11Å
245	E	96.1	Very high	96.8	Very high	100 Å²	100	41.6 Å²	41.6	47%	0.467	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	143.3	-171.6	-69	-173.2	154.1	0	0	111	T241 H242 Y247 P300	T241-E245 WeakPolarHBondContact CA-O 3.29Å; H242-E245 PolarHBondContact N-O 2.66Å; H242-E245 PolarHBondContact O-N 2.81Å; E245-Y247 HydrophobicContact CB-CE2 4.48Å; E245-P300 HydrophobicContact CB-CB 3.75Å; E245-P300 HydrophobicContact CB-CG 3.81Å; E245-P300 HydrophobicContact CG-CB 3.98Å; E245-P300 HydrophobicContact CG-CG 4.07Å; E245-P300 WeakPolarHBondContact OE2-CG 3.38Å
246	N	97.6	Very high	96.3	Very high	57 Å²	57	45.2 Å²	45.2	31%	0.305	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.3	-179.5	-71	-26.6	0	0	0	110.5	F239 V240 T241 K248	F239-N246 HydrophobicContact CD2-CB 4.09Å; V240-N246 WeakPolarHBondContact O-CA 3.14Å; T241-N246 PolarHBondContact OG1-OD1 2.87Å; N246-K248 HydrophobicContact CB-CG 4.33Å
247	Y	98.5	Very high	96	Very high	3 Å²	3	46 Å²	46	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.9	170.8	-69.4	-98.8	0	0	0	107.9	P95 V98 F100 F239 V240 H242 E245 P300	P95-Y247 HydrophobicContact CB-CD1 4.49Å; P95-Y247 HydrophobicContact CB-CE1 4.16Å; P95-Y247 HydrophobicContact CG-CD1 3.58Å; P95-Y247 HydrophobicContact CG-CE1 3.63Å; V98-Y247 HydrophobicContact CB-CE1 4.13Å; V98-Y247 HydrophobicContact CB-CE2 4.15Å; V98-Y247 WeakPolarHBondContact CB-OH 3.43Å; V98-Y247 HydrophobicContact CG1-CD2 4.36Å; V98-Y247 HydrophobicContact CG1-CE1 4.45Å; V98-Y247 HydrophobicContact CG1-CE2 3.81Å; V98-Y247 HydrophobicContact CG2-CE2 4.42Å; V98-Y247 WeakPolarHBondContact CG2-OH 3.36Å; F100-Y247 HydrophobicContact CB-CD1 4.44Å; F100-Y247 VanDerWaalsContact CE2-O 3.31Å; F100-Y247 WeakPolarHBondContact CE2-O 3.42Å; F100-Y247 WeakPolarHBondContact CZ-O 3.37Å; F239-Y247 CarbonylContact C-O 3.43Å; F239-Y247 WeakPolarHBondContact CA-O 3.25Å; F239-Y247 WeakPolarHBondContact CB-O 3.4Å; V240-Y247 PolarHBondContact N-O 3.46Å; V240-Y247 PolarHBondContact O-N 2.72Å; H242-Y247 HydrophobicContact CB-CD2 4.29Å; H242-Y247 HydrophobicContact CB-CE2 4.04Å; E245-Y247 HydrophobicContact CB-CE2 4.48Å; Y247-P300 HydrophobicContact CE2-CG 4.31Å
248	K	98.6	Very high	95.9	Very high	73 Å²	73	46.8 Å²	46.8	32%	0.317	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.7	-164	-58.8	173.7	-171.7	167	0	110.8	F100 A238 F239 N246 F250 F297 F298	F100-K248 WeakPolarHBondContact CE1-O 3.21Å; F100-K248 VanDerWaalsContact CZ-C 3.48Å; A238-K248 CarbonylContact O-C 3.53Å; F239-K248 HydrophobicContact CB-CB 4.35Å; F239-K248 HydrophobicContact CB-CG 3.9Å; N246-K248 HydrophobicContact CB-CG 4.33Å; K248-F250 HydrophobicContact CB-CE2 4Å; K248-F250 HydrophobicContact CD-CE2 4.37Å; K248-F297 WeakPolarHBondContact O-CA 3.45Å; K248-F298 HydrophobicContact CB-CD2 4.4Å; K248-F298 HydrophobicContact CB-CE1 4.11Å; K248-F298 HydrophobicContact CB-CE2 3.95Å; K248-F298 HydrophobicContact CB-CZ 3.79Å; K248-F298 HydrophobicContact CD-CE2 3.73Å; K248-F298 HydrophobicContact CD-CZ 3.9Å; K248-F298 HydrophobicContact CG-CE2 4.35Å; K248-F298 HydrophobicContact CG-CZ 4.48Å; K248-F298 PolarHBondContact N-O 2.78Å; K248-F298 PolarHBondContact O-N 2.93Å
249	M	98.8	Very high	95.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.1	168.9	64.1	179	-68	0	0	111.2	F100 I101 F220 F227 G237 A238 W251 V280 I296 F297	F100-M249 HydrophobicContact CE1-CB 4.33Å; F100-M249 HydrophobicContact CZ-CB 3.96Å; F100-M249 HydrophobicContact CZ-CG 4.21Å; I101-M249 HydrophobicContact CD1-SD 4.39Å; F220-M249 HydrophobicContact CB-CE 4.32Å; F220-M249 HydrophobicContact CB-SD 4.41Å; F220-M249 HydrophobicContact CD1-CE 4.22Å; F220-M249 HydrophobicContact CD2-CE 3.58Å; F220-M249 HydrophobicContact CE1-CE 4.45Å; F220-M249 HydrophobicContact CE2-CE 3.85Å; F220-M249 HydrophobicContact CG-CE 3.77Å; F220-M249 HydrophobicContact CG-SD 4.47Å; F220-M249 HydrophobicContact CZ-CE 4.28Å; F227-M249 HydrophobicContact CE1-SD 4.21Å; G237-M249 CarbonylContact C-O 3.59Å; G237-M249 WeakPolarHBondContact CA-O 3.4Å; A238-M249 HydrophobicContact CB-CG 4.04Å; A238-M249 HydrophobicContact CB-SD 4.4Å; A238-M249 PolarHBondContact N-O 2.95Å; A238-M249 WeakPolarHBondContact O-CG 3.38Å; A238-M249 PolarHBondContact O-N 2.78Å; M249-W251 HydrophobicContact CE-CE3 3.83Å; M249-W251 HydrophobicContact CE-CZ3 3.87Å; M249-W251 HydrophobicContact CG-CZ3 4.11Å; M249-W251 HydrophobicContact SD-CZ3 4.4Å; M249-V280 HydrophobicContact SD-CG2 4.15Å; M249-I296 CarbonylContact C-O 3.56Å; M249-I296 WeakPolarHBondContact CA-O 3.44Å; M249-I296 WeakPolarHBondContact CB-O 3.27Å; M249-F297 HydrophobicContact CB-CD1 3.6Å; M249-F297 HydrophobicContact CB-CE1 3.87Å; M249-F297 HydrophobicContact CB-CG 4.35Å; M249-F297 HydrophobicContact CE-CD1 4.39Å; M249-F297 HydrophobicContact CE-CE1 3.49Å; M249-F297 VanDerWaalsContact CE-CE1 3.49Å; M249-F297 HydrophobicContact CE-CZ 3.99Å; M249-F297 HydrophobicContact CG-CE1 4.48Å; M249-F297 HydrophobicContact SD-CD1 4.32Å; M249-F297 HydrophobicContact SD-CE1 3.84Å
250	F	98.6	Very high	95.6	Very high	18 Å²	18	55.8 Å²	55.8	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154	176.8	-69	-93.1	0	0	0	109.9	T230 V232 V235 H236 K248 Y295 I296 F298	T230-F250 HydrophobicContact CG2-CE1 3.85Å; T230-F250 HydrophobicContact CG2-CZ 3.75Å; V232-F250 HydrophobicContact CB-CE1 4.05Å; V232-F250 HydrophobicContact CB-CZ 4.34Å; V232-F250 HydrophobicContact CG2-CE1 3.84Å; V232-F250 HydrophobicContact CG2-CZ 3.77Å; V235-F250 HydrophobicContact CB-CD1 4.43Å; V235-F250 HydrophobicContact CG1-CB 4.01Å; V235-F250 HydrophobicContact CG1-CD1 4.14Å; H236-F250 WeakPolarHBondContact O-CA 3.44Å; K248-F250 HydrophobicContact CB-CE2 4Å; K248-F250 HydrophobicContact CD-CE2 4.37Å; F250-Y295 CarbonylContact O-C 3.56Å; F250-Y295 VanDerWaalsContact O-CA 3.27Å; F250-Y295 WeakPolarHBondContact O-CA 3.26Å; F250-I296 HydrophobicContact CB-CD1 4.2Å; F250-I296 HydrophobicContact CB-CG1 3.86Å; F250-I296 PolarHBondContact N-O 3.25Å; F250-I296 PolarHBondContact O-N 2.84Å; F250-F298 AromaticContact CD2-CE1 3.69Å; F250-F298 HydrophobicContact CD2-CE1 3.69Å; F250-F298 HydrophobicContact CD2-CZ 4.02Å; F250-F298 AromaticContact CE2-CE1 3.93Å; F250-F298 HydrophobicContact CE2-CE1 3.93Å; F250-F298 AromaticContact CE2-CZ 3.77Å; F250-F298 HydrophobicContact CE2-CZ 3.77Å
251	W	98.5	Very high	95.5	Very high	6 Å²	6	56.1 Å²	56.1	2%	0.023	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	152.2	-177.2	56.5	80.2	0	0	0	112.9	V235 H236 G237 A238 M249 S258 N259 V280 V282 A294 Y295	V235-W251 WeakPolarHBondContact CG1-O 3.26Å; H236-W251 HydrophobicContact CB-CZ2 3.91Å; H236-W251 PolarHBondContact O-N 2.87Å; G237-W251 VanDerWaalsContact CA-CZ3 3.49Å; A238-W251 HydrophobicContact CB-CH2 4.25Å; A238-W251 HydrophobicContact CB-CZ3 4.19Å; M249-W251 HydrophobicContact CE-CE3 3.83Å; M249-W251 HydrophobicContact CE-CZ3 3.87Å; M249-W251 HydrophobicContact CG-CZ3 4.11Å; M249-W251 HydrophobicContact SD-CZ3 4.4Å; W251-S258 VanDerWaalsContact O-CB 3.26Å; W251-S258 WeakPolarHBondContact O-CB 3.12Å; W251-S258 PolarHBondContact O-OG 3.08Å; W251-N259 PolarHBondContact NE1-O 3.01Å; W251-V280 HydrophobicContact CH2-CG1 3.9Å; W251-V280 HydrophobicContact CZ3-CG1 4.06Å; W251-V282 VanDerWaalsContact CD1-CG1 3.44Å; W251-V282 HydrophobicContact CD2-CG1 3.89Å; W251-V282 HydrophobicContact CD2-CG2 3.75Å; W251-V282 HydrophobicContact CE3-CG2 3.85Å; W251-V282 HydrophobicContact CG-CG1 3.75Å; W251-V282 HydrophobicContact CG-CG2 4.37Å; W251-V282 HydrophobicContact CH2-CG2 4.06Å; W251-V282 HydrophobicContact CZ2-CG1 4.46Å; W251-V282 HydrophobicContact CZ2-CG2 3.99Å; W251-V282 HydrophobicContact CZ3-CG2 3.98Å; W251-A294 WeakPolarHBondContact CA-O 3.36Å; W251-Y295 HydrophobicContact CB-CD1 3.43Å; W251-Y295 VanDerWaalsContact CB-CD1 3.43Å; W251-Y295 HydrophobicContact CB-CE1 3.82Å; W251-Y295 HydrophobicContact CB-CG 4.1Å; W251-Y295 HydrophobicContact CG-CD1 4.23Å; W251-Y295 HydrophobicContact CG-CE1 4.33Å
252	M	97.4	Very high	95.4	Very high	7 Å²	7	58.5 Å²	58.5	3%	0.034	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	155.2	169.9	61.5	178.3	70.1	0	0	110.5	V235 S257 V293 A294 F307 L309	V235-M252 HydrophobicContact CB-CE 4.32Å; V235-M252 HydrophobicContact CG1-CE 3.81Å; V235-M252 HydrophobicContact CG2-CE 3.46Å; V235-M252 VanDerWaalsContact CG2-CE 3.46Å; M252-S257 CarbonylContact C-O 3.53Å; M252-S257 WeakPolarHBondContact CA-O 3.31Å; M252-V293 WeakPolarHBondContact O-CG1 3.35Å; M252-A294 PolarHBondContact N-O 3.08Å; M252-A294 PolarHBondContact O-N 2.72Å; M252-F307 HydrophobicContact CE-CB 4.45Å; M252-F307 HydrophobicContact CE-CD1 3.59Å; M252-F307 HydrophobicContact CE-CE1 3.9Å; M252-F307 HydrophobicContact CE-CG 4Å; M252-F307 WeakPolarHBondContact CE-O 3.45Å; M252-F307 HydrophobicContact CG-CD1 4.48Å; M252-F307 HydrophobicContact CG-CE1 3.84Å; M252-F307 HydrophobicContact CG-CZ 3.9Å; M252-F307 HydrophobicContact SD-CD1 4.46Å; M252-F307 HydrophobicContact SD-CE1 4.36Å; M252-L309 HydrophobicContact CG-CB 4.19Å; M252-L309 HydrophobicContact SD-CB 4.05Å
253	D	95.5	Very high	95.5	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.027	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	169.8	170.8	77.6	11.9	0	0	0	112.2	T255 N256 S257 R287 R292 V293 L309	D253-T255 VanDerWaalsContact CG-OG1 3.29Å; D253-T255 PolarHBondContact O-N 3.31Å; D253-T255 WeakPolarHBondContact OD1-CA 3.29Å; D253-T255 WeakPolarHBondContact OD1-CB 3.38Å; D253-T255 PolarHBondContact OD1-N 3.3Å; D253-T255 PolarHBondContact OD1-OG1 2.77Å; D253-T255 PolarHBondContact OD2-OG1 2.96Å; D253-N256 PolarHBondContact O-N 3.09Å; D253-N256 PolarHBondContact OD1-N 2.8Å; D253-S257 PolarHBondContact N-O 3.4Å; D253-S257 VanDerWaalsContact OD1-CB 3.32Å; D253-S257 WeakPolarHBondContact OD1-CB 3.5Å; D253-S257 PolarHBondContact OD1-N 3.08Å; D253-R287 IonicContact OD1-NH2 3.16Å; D253-R287 IonicContact OD2-CZ 3.53Å; D253-R287 IonicContact OD2-NH1 3.71Å; D253-R287 PolarHBondContact OD2-NH1 2.65Å; D253-R287 IonicContact OD2-NH2 3.79Å; D253-R287 PolarHBondContact OD2-NH2 2.84Å; D253-R287 VanDerWaalsContact OD2-NH2 3.16Å; D253-R292 CarbonylContact C-O 3.55Å; D253-R292 WeakPolarHBondContact CA-O 3.28Å; D253-V293 HydrophobicContact CB-CG2 4.1Å; D253-L309 VanDerWaalsContact C-CD2 3.48Å
254	D	92.1	Very high	95.7	Very high	18 Å²	18	54.5 Å²	54.5	10%	0.096	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	6.2	-177	69.1	-11.6	0	0	0	115.1	R287 R292 L309	D254-R287 IonicContact OD1-CZ 3.15Å; D254-R287 IonicContact OD1-NE 3.59Å; D254-R287 IonicContact OD1-NH2 2.72Å; D254-R287 PolarHBondContact OD1-NH2 2.89Å; D254-R292 HydrophobicContact CB-CB 4.17Å; D254-R292 PolarHBondContact N-O 3.16Å; D254-R292 IonicContact OD2-CZ 3.75Å; D254-R292 IonicContact OD2-NE 3.48Å; D254-R292 PolarHBondContact OD2-NE 2.88Å; D254-R292 IonicContact OD2-NH2 2.72Å; D254-R292 PolarHBondContact OD2-NH2 2.93Å; D254-L309 HydrophobicContact CB-CD2 3.9Å; D254-L309 HydrophobicContact CB-CG 4.1Å
255	T	90.7	Very high	96	Very high	80 Å²	80	49.8 Å²	49.8	49%	0.491	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	10.1	168.1	69	0	0	0	0	112.6	D253 S257	D253-T255 VanDerWaalsContact CG-OG1 3.29Å; D253-T255 PolarHBondContact O-N 3.31Å; D253-T255 WeakPolarHBondContact OD1-CA 3.29Å; D253-T255 WeakPolarHBondContact OD1-CB 3.38Å; D253-T255 PolarHBondContact OD1-N 3.3Å; D253-T255 PolarHBondContact OD1-OG1 2.77Å; D253-T255 PolarHBondContact OD2-OG1 2.96Å; T255-S257 PolarHBondContact O-N 3.2Å
256	N	85.4	Confident	95.9	Very high	100 Å²	100	48.5 Å²	48.5	54%	0.535	25%	0.249	S	C	.	.	S	Bend	trans	60.8	21.4	-170.8	-64.7	-47.9	0	0	0	113.8	D253 L309	D253-N256 PolarHBondContact O-N 3.09Å; D253-N256 PolarHBondContact OD1-N 2.8Å; N256-L309 PolarHBondContact OD1-N 2.97Å; N256-L309 PolarHBondContact OD1-O 2.98Å; N256-L309 VanDerWaalsContact OD1-O 3.09Å
257	S	92.4	Very high	95.9	Very high	50 Å²	50	49.6 Å²	49.6	35%	0.35	26%	0.262	S	S	.	.			trans	-87.2	133.5	173.6	-172.4	0	0	0	0	110.2	M252 D253 T255	M252-S257 CarbonylContact C-O 3.53Å; M252-S257 WeakPolarHBondContact CA-O 3.31Å; D253-S257 PolarHBondContact N-O 3.4Å; D253-S257 VanDerWaalsContact OD1-CB 3.32Å; D253-S257 WeakPolarHBondContact OD1-CB 3.5Å; D253-S257 PolarHBondContact OD1-N 3.08Å; T255-S257 PolarHBondContact O-N 3.2Å
258	S	96.4	Very high	95.7	Very high	17 Å²	17	50.5 Å²	50.5	12%	0.119	27%	0.265	C	S	.	.			trans	-128.3	105.7	176.1	-176.7	0	0	0	0	109	H236 W251	H236-S258 WeakPolarHBondContact CB-OG 3.38Å; H236-S258 PolarHBondContact CE1-O 3.46Å; H236-S258 VanDerWaalsContact CE1-O 3.26Å; H236-S258 PolarHBondContact N-OG 2.82Å; H236-S258 PolarHBondContact ND1-O 2.85Å; W251-S258 VanDerWaalsContact O-CB 3.26Å; W251-S258 WeakPolarHBondContact O-CB 3.12Å; W251-S258 PolarHBondContact O-OG 3.08Å
259	N	94.7	Very high	95.3	Very high	66 Å²	66	50 Å²	50	35%	0.353	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-80.2	147.5	176.7	-71.8	-18.9	0	0	0	111.1	W251 G261 T283	W251-N259 PolarHBondContact NE1-O 3.01Å; N259-G261 PolarHBondContact O-N 3.06Å; N259-T283 WeakPolarHBondContact CB-O 3.43Å; N259-T283 PolarHBondContact ND2-O 2.85Å; N259-T283 VanDerWaalsContact ND2-O 3.15Å
260	K	96.8	Very high	94.9	Very high	155 Å²	155	61.9 Å²	61.9	67%	0.674	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-64.6	122.6	173	-173.6	179.4	177.9	-177	0	110
261	G	95.9	Very high	94.4	Very high	6 Å²	6	63.9 Å²	63.9	6%	0.062	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-78.2	155.5	172.7	0	0	0	0	0	111.6	N259 N281	N259-G261 PolarHBondContact O-N 3.06Å; G261-N281 CarbonylContact C-O 3.6Å; G261-N281 VanDerWaalsContact CA-O 3.23Å; G261-N281 WeakPolarHBondContact CA-O 3.26Å
262	M	97.8	Very high	94	Very high	100 Å²	100	65 Å²	65	49%	0.493	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.6	174.1	179	174.6	65.6	0	0	109.3	Y279 V280 N281	M262-Y279 HydrophobicContact CE-CE2 4.09Å; M262-V280 CarbonylContact O-C 3.58Å; M262-V280 WeakPolarHBondContact O-CA 3.48Å; M262-N281 HydrophobicContact CB-CB 4.36Å; M262-N281 HydrophobicContact CE-CB 4.18Å; M262-N281 PolarHBondContact N-O 3.11Å; M262-N281 PolarHBondContact O-N 3.02Å
263	V	98.2	Very high	93.7	Very high	50 Å²	50	69.2 Å²	69.2	30%	0.303	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	144	169.5	-60.1	0	0	0	0	109.2	F227 A238 Y279 V280	F227-V263 HydrophobicContact CB-CB 4.22Å; F227-V263 HydrophobicContact CB-CG1 3.82Å; A238-V263 HydrophobicContact CB-CG1 4.43Å; V263-Y279 WeakPolarHBondContact CA-O 3.37Å; V263-V280 HydrophobicContact CG1-CG2 4.29Å
264	G	97.6	Very high	93.5	Very high	25 Å²	25	74.2 Å²	74.2	26%	0.258	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	-179.1	-179.5	0	0	0	0	0	113.4	N278 Y279	G264-N278 CarbonylContact O-C 3.59Å; G264-N278 WeakPolarHBondContact O-CA 3.34Å; G264-Y279 PolarHBondContact N-O 3.43Å; G264-Y279 PolarHBondContact O-N 3.1Å
265	Y	97.7	Very high	93.5	Very high	109 Å²	109	79.9 Å²	79.9	43%	0.427	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.3	173.4	178.9	-95	0	0	0	109	N275 G276 N278	Y265-N275 WeakPolarHBondContact OH-CB 3.14Å; Y265-N275 PolarHBondContact OH-O 2.93Å; Y265-G276 WeakPolarHBondContact OH-CA 3.37Å; Y265-G276 PolarHBondContact OH-N 3.41Å; Y265-N278 WeakPolarHBondContact CD2-OD1 3.28Å
266	W	95.8	Very high	93.7	Very high	73 Å²	73	76.4 Å²	76.4	28%	0.277	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.5	175.3	-166.1	-77.4	0	0	0	109.7	Y110 L112 L113 F128 G276 S277 Y279	Y110-W266 HydrophobicContact CD2-CZ2 4.44Å; Y110-W266 HydrophobicContact CE2-CZ2 4.45Å; L112-W266 HydrophobicContact CD1-CD2 3.86Å; L112-W266 HydrophobicContact CD1-CE3 3.82Å; L112-W266 HydrophobicContact CD1-CG 4.47Å; L112-W266 HydrophobicContact CD1-CH2 4.22Å; L112-W266 HydrophobicContact CD1-CZ2 4.27Å; L112-W266 HydrophobicContact CD1-CZ3 4Å; L112-W266 HydrophobicContact CD2-CH2 3.98Å; L112-W266 HydrophobicContact CD2-CZ3 4.04Å; L113-W266 HydrophobicContact CD2-CB 4.03Å; L113-W266 HydrophobicContact CD2-CD2 4.49Å; L113-W266 HydrophobicContact CD2-CG 3.8Å; F128-W266 HydrophobicContact CD1-CH2 4.11Å; F128-W266 AromaticContact CE1-CH2 3.62Å; F128-W266 HydrophobicContact CE1-CH2 3.62Å; F128-W266 AromaticContact CE1-CZ2 3.78Å; F128-W266 HydrophobicContact CE1-CZ2 3.78Å; F128-W266 HydrophobicContact CZ-CH2 4.37Å; F128-W266 HydrophobicContact CZ-CZ2 4.2Å; W266-G276 CarbonylContact O-C 3.58Å; W266-G276 WeakPolarHBondContact O-CA 3.06Å; W266-S277 PolarHBondContact N-O 2.83Å; W266-S277 PolarHBondContact O-N 2.8Å; W266-Y279 HydrophobicContact CB-CD1 4.13Å; W266-Y279 HydrophobicContact CB-CE1 4.03Å; W266-Y279 HydrophobicContact CE3-CE1 4.45Å
267	S	95.8	Very high	94.3	Very high	81 Å²	81	71.7 Å²	71.7	57%	0.566	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	141.9	177.3	65.5	0	0	0	0	112.1	N275	S267-N275 WeakPolarHBondContact CA-O 3.24Å
268	Y	94.3	Very high	94.5	Very high	21 Å²	21	70.1 Å²	70.1	8%	0.082	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-84.1	145.5	175.2	-68.7	-12.4	0	0	0	112.1	A104 P108 L113 Y274 N275	A104-Y268 WeakPolarHBondContact CB-OH 3.49Å; A104-Y268 PolarHBondContact O-OH 2.84Å; P108-Y268 HydrophobicContact CG-CD1 4.34Å; L113-Y268 HydrophobicContact CD1-CD1 4.3Å; L113-Y268 HydrophobicContact CD1-CE1 3.55Å; L113-Y268 HydrophobicContact CD2-CE1 3.82Å; L113-Y268 HydrophobicContact CG-CE1 4.3Å; Y268-Y274 WeakPolarHBondContact CD2-O 3.5Å; Y268-N275 PolarHBondContact N-O 2.85Å
269	P	91.8	Very high	94.6	Very high	64 Å²	64	70.5 Å²	70.5	42%	0.416	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-56.8	160.3	172.1	-23.1	33.3	0	0	0	111.9	P108 G271 Y272	P108-P269 VanDerWaalsContact CG-CD 3.46Å; P108-P269 HydrophobicContact CG-CG 4.02Å; P269-G271 PolarHBondContact O-N 2.79Å; P269-Y272 HydrophobicContact CB-CD2 4.26Å; P269-Y272 HydrophobicContact CB-CE2 4.22Å; P269-Y272 HydrophobicContact CG-CD2 4.47Å; P269-Y272 HydrophobicContact CG-CE2 4.2Å; P269-Y272 WeakPolarHBondContact O-CD2 3.2Å
270	R	89.8	Confident	94.8	Very high	249 Å²	249	67.4 Å²	67.4	94%	0.94	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	142.4	174.1	-69.2	-175.7	-179.8	-176.2	0.8	111.1
271	G	88.3	Confident	94.9	Very high	60 Å²	60	60.6 Å²	60.6	62%	0.619	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	10.7	179	0	0	0	0	0	114.9	K142 P269	K142-G271 PolarHBondContact NZ-O 2.85Å; P269-G271 PolarHBondContact O-N 2.79Å
272	Y	90.9	Very high	95	Very high	30 Å²	30	60.4 Å²	60.4	12%	0.118	32%	0.315	C	S	.	.			trans	-98.6	147.3	159.5	-70.1	-86.8	0	0	0	109.4	Y106 G107 P108 K142 P269 Y274	Y106-Y272 AromaticContact CD1-CD1 3.61Å; Y106-Y272 HydrophobicContact CD1-CD1 3.61Å; Y106-Y272 HydrophobicContact CD1-CE1 4.11Å; Y106-Y272 AromaticContact CE1-CD1 3.67Å; Y106-Y272 HydrophobicContact CE1-CD1 3.67Å; Y106-Y272 AromaticContact CE1-CE1 3.82Å; Y106-Y272 HydrophobicContact CE1-CE1 3.82Å; G107-Y272 WeakPolarHBondContact O-CE1 3.29Å; P108-Y272 WeakPolarHBondContact CA-OH 3.2Å; P108-Y272 HydrophobicContact CG-CE2 3.91Å; K142-Y272 WeakPolarHBondContact CG-OH 3.32Å; P269-Y272 HydrophobicContact CB-CD2 4.26Å; P269-Y272 HydrophobicContact CB-CE2 4.22Å; P269-Y272 HydrophobicContact CG-CD2 4.47Å; P269-Y272 HydrophobicContact CG-CE2 4.2Å; P269-Y272 WeakPolarHBondContact O-CD2 3.2Å; Y272-Y274 VanDerWaalsContact C-N 3.28Å; Y272-Y274 PolarHBondContact O-N 3.4Å
273	P	90.1	Very high	95	Very high	95 Å²	95	58 Å²	58	62%	0.617	31%	0.307	S	S	*	.	S	Bend	trans	-77.2	-13.8	-177.1	30.3	-32.5	0	0	0	113.6	Y106	Y106-P273 HydrophobicContact CD1-CG 4.15Å
274	Y	91.3	Very high	94.9	Very high	109 Å²	109	56.1 Å²	56.1	43%	0.427	30%	0.295	S	S	.	.	S	Bend	trans	-112.5	150.8	179.3	-61.6	-74.4	0	0	0	110.9	L105 Y268 Y272	L105-Y274 HydrophobicContact CB-CD2 3.72Å; L105-Y274 HydrophobicContact CB-CE2 3.81Å; L105-Y274 HydrophobicContact CB-CG 4.1Å; L105-Y274 HydrophobicContact CD1-CD1 3.64Å; L105-Y274 HydrophobicContact CD1-CD2 4.32Å; L105-Y274 HydrophobicContact CD1-CE1 3.57Å; L105-Y274 HydrophobicContact CD1-CE2 4.26Å; L105-Y274 HydrophobicContact CD1-CG 4.03Å; Y268-Y274 WeakPolarHBondContact CD2-O 3.5Å; Y272-Y274 VanDerWaalsContact C-N 3.28Å; Y272-Y274 PolarHBondContact O-N 3.4Å
275	N	91.8	Very high	94.8	Very high	138 Å²	138	57.9 Å²	57.9	74%	0.738	30%	0.302	S	S	*	.			trans	-75.8	-24.5	-175.8	-67.5	-18.3	0	0	0	113.3	Y265 S267 Y268	Y265-N275 WeakPolarHBondContact OH-CB 3.14Å; Y265-N275 PolarHBondContact OH-O 2.93Å; S267-N275 WeakPolarHBondContact CA-O 3.24Å; Y268-N275 PolarHBondContact N-O 2.85Å
276	G	95	Very high	94.7	Very high	7 Å²	7	53.5 Å²	53.5	7%	0.072	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.2	-160.9	-169.4	0	0	0	0	0	113.4	Y265 W266	Y265-G276 WeakPolarHBondContact OH-CA 3.37Å; Y265-G276 PolarHBondContact OH-N 3.41Å; W266-G276 CarbonylContact O-C 3.58Å; W266-G276 WeakPolarHBondContact O-CA 3.06Å
277	S	97.6	Very high	94.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	144.1	177.6	-176.5	0	0	0	0	111.6	H221 W266	H221-S277 PolarHBondContact ND1-OG 3.31Å; H221-S277 VanDerWaalsContact ND1-OG 3.07Å; W266-S277 PolarHBondContact N-O 2.83Å; W266-S277 PolarHBondContact O-N 2.8Å
278	N	98.4	Very high	94.4	Very high	17 Å²	17	56 Å²	56	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	149.5	164	-49.4	-84	0	0	0	109.2	H221 N222 L225 P226 F227 G264 Y265	H221-N278 WeakPolarHBondContact CA-O 3.33Å; N222-N278 PolarHBondContact N-O 3.33Å; N222-N278 WeakPolarHBondContact O-CA 3.5Å; N222-N278 WeakPolarHBondContact O-CB 3.04Å; N222-N278 PolarHBondContact O-N 3.39Å; N222-N278 PolarHBondContact O-ND2 3.24Å; L225-N278 PolarHBondContact O-ND2 3.37Å; P226-N278 VanDerWaalsContact CA-CG 3.47Å; P226-N278 WeakPolarHBondContact CA-OD1 3.21Å; F227-N278 HydrophobicContact CD2-CB 4.32Å; G264-N278 CarbonylContact O-C 3.59Å; G264-N278 WeakPolarHBondContact O-CA 3.34Å; Y265-N278 WeakPolarHBondContact CD2-OD1 3.28Å
279	Y	98.5	Very high	94.3	Very high	26 Å²	26	57.3 Å²	57.3	10%	0.102	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.1	179.6	67.9	-92.6	0	0	0	113.2	F219 F220 M262 V263 G264 W266 N281	F219-Y279 HydrophobicContact CD1-CD2 4.03Å; F219-Y279 HydrophobicContact CD1-CG 4.42Å; F219-Y279 HydrophobicContact CE1-CD2 4.04Å; F219-Y279 HydrophobicContact CE1-CE2 4.21Å; F220-Y279 CarbonylContact O-C 3.57Å; F220-Y279 WeakPolarHBondContact O-CA 3.33Å; M262-Y279 HydrophobicContact CE-CE2 4.09Å; V263-Y279 WeakPolarHBondContact CA-O 3.37Å; G264-Y279 PolarHBondContact N-O 3.43Å; G264-Y279 PolarHBondContact O-N 3.1Å; W266-Y279 HydrophobicContact CB-CD1 4.13Å; W266-Y279 HydrophobicContact CB-CE1 4.03Å; W266-Y279 HydrophobicContact CE3-CE1 4.45Å; Y279-N281 HydrophobicContact CD2-CB 4.13Å; Y279-N281 HydrophobicContact CE2-CB 4.09Å
280	V	98.6	Very high	94.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129	158.9	-171.9	0	0	0	0	107.5	F219 F220 F227 A238 M249 W251 M262 V263 V282	F219-V280 CarbonylContact C-O 3.54Å; F219-V280 WeakPolarHBondContact CA-O 3.45Å; F220-V280 HydrophobicContact CB-CB 4.37Å; F220-V280 HydrophobicContact CD2-CB 4.42Å; F220-V280 PolarHBondContact N-O 2.91Å; F220-V280 PolarHBondContact O-N 3.33Å; F227-V280 HydrophobicContact CB-CG2 3.71Å; F227-V280 HydrophobicContact CD1-CG2 3.38Å; F227-V280 HydrophobicContact CD2-CG2 3.58Å; F227-V280 HydrophobicContact CE1-CG2 3.78Å; F227-V280 HydrophobicContact CE2-CG2 3.94Å; F227-V280 HydrophobicContact CG-CG2 3.27Å; F227-V280 HydrophobicContact CZ-CG2 4.04Å; A238-V280 HydrophobicContact CB-CG1 4.29Å; A238-V280 HydrophobicContact CB-CG2 3.67Å; M249-V280 HydrophobicContact SD-CG2 4.15Å; W251-V280 HydrophobicContact CH2-CG1 3.9Å; W251-V280 HydrophobicContact CZ3-CG1 4.06Å; M262-V280 CarbonylContact O-C 3.58Å; M262-V280 WeakPolarHBondContact O-CA 3.48Å; V263-V280 HydrophobicContact CG1-CG2 4.29Å; V280-V282 HydrophobicContact CG1-CG2 3.87Å
281	N	98.2	Very high	94.7	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.2	169.1	171.8	-13.7	0	0	0	108.7	S217 A218 F219 G261 M262 Y279 T283	S217-N281 PolarHBondContact OG-ND2 3.28Å; S217-N281 VanDerWaalsContact OG-ND2 3.12Å; S217-N281 PolarHBondContact OG-OD1 2.79Å; A218-N281 WeakPolarHBondContact O-CA 3.28Å; F219-N281 HydrophobicContact CD1-CB 4.2Å; F219-N281 HydrophobicContact CE1-CB 3.85Å; F219-N281 HydrophobicContact CZ-CB 4.04Å; F219-N281 WeakPolarHBondContact CZ-ND2 3.48Å; G261-N281 CarbonylContact C-O 3.6Å; G261-N281 VanDerWaalsContact CA-O 3.23Å; G261-N281 WeakPolarHBondContact CA-O 3.26Å; M262-N281 HydrophobicContact CB-CB 4.36Å; M262-N281 HydrophobicContact CE-CB 4.18Å; M262-N281 PolarHBondContact N-O 3.11Å; M262-N281 PolarHBondContact O-N 3.02Å; Y279-N281 HydrophobicContact CD2-CB 4.13Å; Y279-N281 HydrophobicContact CE2-CB 4.09Å; N281-T283 PolarHBondContact OD1-OG1 3.02Å
282	V	98.4	Very high	95.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110.3	177	-171.8	0	0	0	0	109.7	S217 A218 F220 W251 V280 M284 Y295	S217-V282 WeakPolarHBondContact CA-O 3.48Å; A218-V282 PolarHBondContact N-O 3.15Å; A218-V282 PolarHBondContact O-N 2.81Å; F220-V282 HydrophobicContact CD2-CG2 4.21Å; F220-V282 HydrophobicContact CE2-CB 4.41Å; F220-V282 HydrophobicContact CE2-CG2 3.86Å; W251-V282 VanDerWaalsContact CD1-CG1 3.44Å; W251-V282 HydrophobicContact CD2-CG1 3.89Å; W251-V282 HydrophobicContact CD2-CG2 3.75Å; W251-V282 HydrophobicContact CE3-CG2 3.85Å; W251-V282 HydrophobicContact CG-CG1 3.75Å; W251-V282 HydrophobicContact CG-CG2 4.37Å; W251-V282 HydrophobicContact CH2-CG2 4.06Å; W251-V282 HydrophobicContact CZ2-CG1 4.46Å; W251-V282 HydrophobicContact CZ2-CG2 3.99Å; W251-V282 HydrophobicContact CZ3-CG2 3.98Å; V280-V282 HydrophobicContact CG1-CG2 3.87Å; V282-M284 HydrophobicContact CB-CE 4.15Å; V282-M284 HydrophobicContact CG1-CE 3.58Å; V282-M284 VanDerWaalsContact O-CE 3.29Å; V282-M284 WeakPolarHBondContact O-CE 3.2Å; V282-Y295 HydrophobicContact CB-CE1 4.19Å; V282-Y295 HydrophobicContact CG1-CE1 4.15Å; V282-Y295 HydrophobicContact CG2-CE1 4.28Å
283	T	97.2	Very high	95.4	Very high	51 Å²	51	40.8 Å²	40.8	31%	0.313	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.6	179.6	-64.9	0	0	0	0	111.9	W131 M216 N259 N281	W131-T283 HydrophobicContact CH2-CG2 3.69Å; W131-T283 HydrophobicContact CZ2-CG2 4.14Å; M216-T283 WeakPolarHBondContact O-CA 2.99Å; N259-T283 WeakPolarHBondContact CB-O 3.43Å; N259-T283 PolarHBondContact ND2-O 2.85Å; N259-T283 VanDerWaalsContact ND2-O 3.15Å; N281-T283 PolarHBondContact OD1-OG1 3.02Å
284	M	95.4	Very high	95.8	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.049	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.4	179.2	61.6	-146.1	72.9	0	0	112.1	A215 M216 V282 V293 Y295	A215-M284 CarbonylContact C-O 3.51Å; A215-M284 VanDerWaalsContact CA-O 3.25Å; A215-M284 WeakPolarHBondContact CA-O 3.33Å; M216-M284 HydrophobicContact CE-CE 4.49Å; M216-M284 HydrophobicContact CE-SD 4.07Å; M216-M284 HydrophobicContact CG-CE 4.36Å; M216-M284 HydrophobicContact CG-CG 3.24Å; M216-M284 HydrophobicContact CG-SD 3.69Å; M216-M284 PolarHBondContact N-O 2.82Å; M216-M284 PolarHBondContact O-N 2.84Å; M216-M284 HydrophobicContact SD-CG 3.84Å; M216-M284 HydrophobicContact SD-SD 3.6Å; V282-M284 HydrophobicContact CB-CE 4.15Å; V282-M284 HydrophobicContact CG1-CE 3.58Å; V282-M284 VanDerWaalsContact O-CE 3.29Å; V282-M284 WeakPolarHBondContact O-CE 3.2Å; M284-V293 HydrophobicContact CE-CG1 4.08Å; M284-V293 HydrophobicContact CG-CG2 4.23Å; M284-V293 HydrophobicContact SD-CB 3.75Å; M284-V293 HydrophobicContact SD-CG1 3.55Å; M284-V293 VanDerWaalsContact SD-CG1 3.55Å; M284-V293 HydrophobicContact SD-CG2 3.05Å; M284-V293 WeakPolarHBondContact SD-CG2 3.44Å; M284-Y295 WeakPolarHBondContact CE-OH 3.3Å
285	P	95.9	Very high	96.2	Very high	62 Å²	62	31.1 Å²	31.1	40%	0.403	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.2	172.5	30	-34.3	0	0	0	110.6	R214	R214-P285 WeakPolarHBondContact O-CA 3.23Å
286	L	95.9	Very high	96.5	Very high	16 Å²	16	24.6 Å²	24.6	8%	0.084	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-92.3	128.7	170.1	-68.6	174.5	0	0	0	109.9	F119 I205 L207 T213 R214 M216 T291	F119-L286 HydrophobicContact CD1-CD1 3.94Å; F119-L286 HydrophobicContact CE1-CD1 4.32Å; I205-L286 HydrophobicContact CB-CD2 4.22Å; I205-L286 HydrophobicContact CG1-CD2 4.32Å; I205-L286 HydrophobicContact CG2-CD2 4.18Å; L207-L286 HydrophobicContact CD1-CB 4.12Å; L207-L286 HydrophobicContact CD1-CD1 4.43Å; T213-L286 HydrophobicContact CG2-CD1 3.53Å; R214-L286 PolarHBondContact O-N 2.97Å; M216-L286 HydrophobicContact CB-CD1 4.34Å; M216-L286 HydrophobicContact CB-CD2 4.04Å; M216-L286 HydrophobicContact CB-CG 4.25Å; M216-L286 HydrophobicContact CG-CD2 3.85Å; M216-L286 HydrophobicContact CG-CG 4.38Å; M216-L286 HydrophobicContact SD-CD2 3.8Å; L286-T291 WeakPolarHBondContact CA-OG1 3.45Å; L286-T291 HydrophobicContact CD2-CG2 3.86Å
287	R	93.4	Very high	96.7	Very high	66 Å²	66	24.3 Å²	24.3	25%	0.249	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-98.2	142.8	171.1	-65.5	177.1	-70.6	-79.9	-0.5	110.3	D253 D254 H290 T291	D253-R287 IonicContact OD1-NH2 3.16Å; D253-R287 IonicContact OD2-CZ 3.53Å; D253-R287 IonicContact OD2-NH1 3.71Å; D253-R287 PolarHBondContact OD2-NH1 2.65Å; D253-R287 IonicContact OD2-NH2 3.79Å; D253-R287 PolarHBondContact OD2-NH2 2.84Å; D253-R287 VanDerWaalsContact OD2-NH2 3.16Å; D254-R287 IonicContact OD1-CZ 3.15Å; D254-R287 IonicContact OD1-NE 3.59Å; D254-R287 IonicContact OD1-NH2 2.72Å; D254-R287 PolarHBondContact OD1-NH2 2.89Å; R287-H290 CarbonylContact O-C 3.47Å; R287-T291 PolarHBondContact N-OG1 2.89Å; R287-T291 PolarHBondContact O-OG1 2.8Å
288	Y	91.9	Very high	96.7	Very high	142 Å²	142	24.7 Å²	24.7	56%	0.557	12%	0.12	S	C	*	.	S	Bend	trans	-91.9	141.7	171.7	178.5	-87.7	0	0	0	110.1	L207 P209	L207-Y288 HydrophobicContact CB-CD2 4.2Å; L207-Y288 WeakPolarHBondContact O-CE2 3.43Å; P209-Y288 WeakPolarHBondContact CG-OH 3.34Å
289	P	92.8	Very high	96.7	Very high	47 Å²	47	23.9 Å²	23.9	31%	0.305	12%	0.117	S	C	.	.	S	Bend	cis	-82.8	-22	-4.3	30.8	-32.7	0	0	0	113.5	H206 L207	H206-P289 WeakPolarHBondContact CA-O 3.26Å; L207-P289 PolarHBondContact N-O 2.83Å
290	H	93.4	Very high	96.6	Very high	40 Å²	40	24.7 Å²	24.7	19%	0.185	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.8	-173.3	-52.3	-55.4	0	0	0	112.1	H204 I205 H206 R287	H204-H290 AromaticContact CE1-CG 3.8Å; H204-H290 AromaticContact CE1-ND1 3.56Å; I205-H290 CarbonylContact O-C 3.5Å; I205-H290 VanDerWaalsContact O-CA 3.31Å; I205-H290 WeakPolarHBondContact O-CA 3.45Å; H206-H290 AromaticContact CD2-CE1 3.24Å; H206-H290 PolarHBondContact CD2-CE1 2.97Å; H206-H290 AromaticContact CD2-ND1 3.39Å; H206-H290 PolarHBondContact CD2-ND1 2.89Å; H206-H290 AromaticContact CE1-CE1 3.61Å; H206-H290 AromaticContact CG-CE1 3.43Å; H206-H290 VanDerWaalsContact CG-CE1 3.43Å; H206-H290 AromaticContact CG-ND1 3.46Å; H206-H290 AromaticContact ND1-CE1 3.68Å; H206-H290 AromaticContact NE2-CE1 3.37Å; H206-H290 PolarHBondContact NE2-CE1 2.92Å; R287-H290 CarbonylContact O-C 3.47Å
291	T	95.6	Very high	96.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.4	166.9	-56.9	0	0	0	0	109.3	I205 L286 R287 V293	I205-T291 PolarHBondContact N-O 3.08Å; I205-T291 PolarHBondContact O-N 2.72Å; L286-T291 WeakPolarHBondContact CA-OG1 3.45Å; L286-T291 HydrophobicContact CD2-CG2 3.86Å; R287-T291 PolarHBondContact N-OG1 2.89Å; R287-T291 PolarHBondContact O-OG1 2.8Å; T291-V293 HydrophobicContact CG2-CG2 4.09Å
292	R	96.5	Very high	96.2	Very high	15 Å²	15	27.3 Å²	27.3	6%	0.057	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.7	-179	-66.2	152	-43.8	-172.8	-13.6	110.5	D203 H204 D253 D254 G311 H312 Q315 V316	D203-R292 VanDerWaalsContact O-CA 3.25Å; D203-R292 WeakPolarHBondContact O-CA 3.47Å; H204-R292 HydrophobicContact CB-CG 4.03Å; H204-R292 WeakPolarHBondContact ND1-CD 3.27Å; H204-R292 VanDerWaalsContact ND1-CG 3.25Å; H204-R292 WeakPolarHBondContact ND1-CG 3.35Å; D253-R292 CarbonylContact C-O 3.55Å; D253-R292 WeakPolarHBondContact CA-O 3.28Å; D254-R292 HydrophobicContact CB-CB 4.17Å; D254-R292 PolarHBondContact N-O 3.16Å; D254-R292 IonicContact OD2-CZ 3.75Å; D254-R292 IonicContact OD2-NE 3.48Å; D254-R292 PolarHBondContact OD2-NE 2.88Å; D254-R292 IonicContact OD2-NH2 2.72Å; D254-R292 PolarHBondContact OD2-NH2 2.93Å; R292-G311 VanDerWaalsContact NH2-CA 3.32Å; R292-H312 PolarHBondContact NH1-O 2.91Å; R292-H312 PolarHBondContact NH2-O 2.81Å; R292-Q315 PolarHBondContact NH1-O 2.82Å; R292-Q315 VanDerWaalsContact NH1-O 3.07Å; R292-V316 HydrophobicContact CB-CG2 3.93Å; R292-V316 HydrophobicContact CG-CG2 3.91Å
293	V	97.6	Very high	96.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	125	-169.9	-174.8	0	0	0	0	108.1	V202 D203 M216 M252 D253 M284 T291 Y295	V202-V293 VanDerWaalsContact CA-O 3.31Å; V202-V293 WeakPolarHBondContact CA-O 3.28Å; D203-V293 PolarHBondContact N-O 2.93Å; D203-V293 PolarHBondContact O-N 3.23Å; M216-V293 HydrophobicContact SD-CG2 4.41Å; M252-V293 WeakPolarHBondContact O-CG1 3.35Å; D253-V293 HydrophobicContact CB-CG2 4.1Å; M284-V293 HydrophobicContact CE-CG1 4.08Å; M284-V293 HydrophobicContact CG-CG2 4.23Å; M284-V293 HydrophobicContact SD-CB 3.75Å; M284-V293 HydrophobicContact SD-CG1 3.55Å; M284-V293 VanDerWaalsContact SD-CG1 3.55Å; M284-V293 HydrophobicContact SD-CG2 3.05Å; M284-V293 WeakPolarHBondContact SD-CG2 3.44Å; T291-V293 HydrophobicContact CG2-CG2 4.09Å; V293-Y295 HydrophobicContact CB-CE2 4.02Å; V293-Y295 HydrophobicContact CG1-CD2 4.33Å; V293-Y295 HydrophobicContact CG1-CE1 4.29Å; V293-Y295 HydrophobicContact CG1-CE2 3.6Å
294	A	98.4	Very high	96	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.5	178.8	0	0	0	0	0	110.4	L200 M201 V202 W251 M252 F307 L309	L200-A294 HydrophobicContact CD1-CB 4.11Å; M201-A294 CarbonylContact O-C 3.57Å; M201-A294 VanDerWaalsContact O-CA 3.28Å; M201-A294 WeakPolarHBondContact O-CA 3.44Å; V202-A294 HydrophobicContact CG2-CB 4.14Å; W251-A294 WeakPolarHBondContact CA-O 3.36Å; M252-A294 PolarHBondContact N-O 3.08Å; M252-A294 PolarHBondContact O-N 2.72Å; A294-F307 HydrophobicContact CB-CE2 3.97Å; A294-F307 HydrophobicContact CB-CZ 3.64Å; A294-L309 HydrophobicContact CB-CD1 4.01Å; A294-L309 HydrophobicContact CB-CD2 3.78Å; A294-L309 HydrophobicContact CB-CG 4.48Å
295	Y	98.8	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.2	174.5	-49.1	-106.5	0	0	0	107.5	L200 M201 A218 F220 F250 W251 V282 M284 V293	L200-Y295 CarbonylContact C-O 3.51Å; L200-Y295 WeakPolarHBondContact CA-O 3.38Å; M201-Y295 HydrophobicContact CB-CD2 4.4Å; M201-Y295 HydrophobicContact CE-CD1 4.35Å; M201-Y295 HydrophobicContact CE-CD2 3.19Å; M201-Y295 HydrophobicContact CE-CE2 3.4Å; M201-Y295 HydrophobicContact CE-CG 3.72Å; M201-Y295 HydrophobicContact CG-CD2 4.43Å; M201-Y295 PolarHBondContact N-O 3.47Å; M201-Y295 PolarHBondContact O-N 2.75Å; A218-Y295 WeakPolarHBondContact CB-OH 3.23Å; F220-Y295 HydrophobicContact CE1-CD1 4.48Å; F220-Y295 AromaticContact CE2-CD1 3.86Å; F220-Y295 HydrophobicContact CE2-CD1 3.86Å; F220-Y295 AromaticContact CE2-CE1 3.64Å; F220-Y295 HydrophobicContact CE2-CE1 3.64Å; F220-Y295 AromaticContact CZ-CD1 3.5Å; F220-Y295 HydrophobicContact CZ-CD1 3.5Å; F220-Y295 VanDerWaalsContact CZ-CD1 3.5Å; F220-Y295 AromaticContact CZ-CE1 3.48Å; F220-Y295 HydrophobicContact CZ-CE1 3.48Å; F220-Y295 VanDerWaalsContact CZ-CE1 3.48Å; F220-Y295 HydrophobicContact CZ-CE2 4.49Å; F220-Y295 HydrophobicContact CZ-CG 4.06Å; F220-Y295 AromaticContact CZ-CZ 3.99Å; F250-Y295 CarbonylContact O-C 3.56Å; F250-Y295 VanDerWaalsContact O-CA 3.27Å; F250-Y295 WeakPolarHBondContact O-CA 3.26Å; W251-Y295 HydrophobicContact CB-CD1 3.43Å; W251-Y295 VanDerWaalsContact CB-CD1 3.43Å; W251-Y295 HydrophobicContact CB-CE1 3.82Å; W251-Y295 HydrophobicContact CB-CG 4.1Å; W251-Y295 HydrophobicContact CG-CD1 4.23Å; W251-Y295 HydrophobicContact CG-CE1 4.33Å; V282-Y295 HydrophobicContact CB-CE1 4.19Å; V282-Y295 HydrophobicContact CG1-CE1 4.15Å; V282-Y295 HydrophobicContact CG2-CE1 4.28Å; M284-Y295 WeakPolarHBondContact CE-OH 3.3Å; V293-Y295 HydrophobicContact CB-CE2 4.02Å; V293-Y295 HydrophobicContact CG1-CD2 4.33Å; V293-Y295 HydrophobicContact CG1-CE1 4.29Å; V293-Y295 HydrophobicContact CG1-CE2 3.6Å
296	I	98.7	Very high	96	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.4	170.3	58.1	171.3	0	0	0	108.9	L199 L200 M249 F250 F298 V304 F307 L320	L199-I296 CarbonylContact O-C 3.53Å; L199-I296 WeakPolarHBondContact O-CA 3.45Å; L200-I296 HydrophobicContact CD1-CG2 3.92Å; M249-I296 CarbonylContact C-O 3.56Å; M249-I296 WeakPolarHBondContact CA-O 3.44Å; M249-I296 WeakPolarHBondContact CB-O 3.27Å; F250-I296 HydrophobicContact CB-CD1 4.2Å; F250-I296 HydrophobicContact CB-CG1 3.86Å; F250-I296 PolarHBondContact N-O 3.25Å; F250-I296 PolarHBondContact O-N 2.84Å; I296-F298 HydrophobicContact CD1-CD1 4.21Å; I296-F298 HydrophobicContact CD1-CE1 3.88Å; I296-F298 HydrophobicContact CG1-CD1 4.38Å; I296-F298 HydrophobicContact CG1-CE1 4.29Å; I296-V304 HydrophobicContact CD1-CG1 3.96Å; I296-F307 HydrophobicContact CD1-CB 4.1Å; I296-F307 HydrophobicContact CD1-CD1 3.72Å; I296-F307 HydrophobicContact CD1-CE1 4.31Å; I296-F307 HydrophobicContact CD1-CG 3.91Å; I296-F307 HydrophobicContact CG1-CD1 3.96Å; I296-F307 HydrophobicContact CG1-CE1 4.03Å; I296-F307 HydrophobicContact CG1-CG 4.46Å; I296-F307 HydrophobicContact CG2-CD1 4.4Å; I296-F307 HydrophobicContact CG2-CD2 4.05Å; I296-F307 HydrophobicContact CG2-CE1 4.2Å; I296-F307 HydrophobicContact CG2-CE2 3.83Å; I296-F307 HydrophobicContact CG2-CG 4.35Å; I296-F307 HydrophobicContact CG2-CZ 3.91Å; I296-L320 HydrophobicContact CD1-CD1 4.04Å; I296-L320 HydrophobicContact CG2-CD1 4.16Å; I296-L320 HydrophobicContact CG2-CD2 4.3Å
297	F	98.9	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.7	175.7	-54.6	-95.4	0	0	0	107.6	F91 F93 F100 I101 L198 L199 M201 F220 K248 M249	F91-F297 HydrophobicContact CE2-CE2 4.44Å; F91-F297 HydrophobicContact CE2-CZ 4.49Å; F91-F297 HydrophobicContact CZ-CE1 4.13Å; F91-F297 AromaticContact CZ-CE2 3.9Å; F91-F297 HydrophobicContact CZ-CE2 3.9Å; F91-F297 AromaticContact CZ-CZ 3.66Å; F91-F297 HydrophobicContact CZ-CZ 3.66Å; F93-F297 HydrophobicContact CD1-CB 3.89Å; F93-F297 HydrophobicContact CE1-CB 3.97Å; F100-F297 HydrophobicContact CD1-CB 4.26Å; F100-F297 HydrophobicContact CD1-CD1 4.45Å; F100-F297 HydrophobicContact CE1-CB 3.85Å; F100-F297 AromaticContact CE1-CD1 3.86Å; F100-F297 HydrophobicContact CE1-CD1 3.86Å; F100-F297 HydrophobicContact CE1-CG 4.37Å; F100-F297 HydrophobicContact CZ-CD1 4.43Å; I101-F297 HydrophobicContact CD1-CD1 3.88Å; I101-F297 HydrophobicContact CD1-CE1 3.8Å; I101-F297 HydrophobicContact CG1-CD1 3.75Å; I101-F297 HydrophobicContact CG1-CE1 3.84Å; L198-F297 WeakPolarHBondContact CA-O 3.26Å; L199-F297 HydrophobicContact CB-CB 4.25Å; L199-F297 HydrophobicContact CB-CD2 4.43Å; L199-F297 HydrophobicContact CD2-CD2 4.13Å; L199-F297 HydrophobicContact CG-CD2 4.21Å; L199-F297 PolarHBondContact N-O 3.1Å; L199-F297 PolarHBondContact O-N 3.26Å; M201-F297 HydrophobicContact CB-CE2 3.9Å; F220-F297 AromaticContact CD1-CE1 3.96Å; F220-F297 HydrophobicContact CD1-CE1 3.96Å; F220-F297 AromaticContact CD1-CZ 3.83Å; F220-F297 HydrophobicContact CD1-CZ 3.83Å; F220-F297 HydrophobicContact CE1-CE1 4.16Å; F220-F297 AromaticContact CE1-CZ 3.56Å; F220-F297 HydrophobicContact CE1-CZ 3.56Å; F220-F297 HydrophobicContact CZ-CZ 4.25Å; K248-F297 WeakPolarHBondContact O-CA 3.45Å; M249-F297 HydrophobicContact CB-CD1 3.6Å; M249-F297 HydrophobicContact CB-CE1 3.87Å; M249-F297 HydrophobicContact CB-CG 4.35Å; M249-F297 HydrophobicContact CE-CD1 4.39Å; M249-F297 HydrophobicContact CE-CE1 3.49Å; M249-F297 VanDerWaalsContact CE-CE1 3.49Å; M249-F297 HydrophobicContact CE-CZ 3.99Å; M249-F297 HydrophobicContact CG-CE1 4.48Å; M249-F297 HydrophobicContact SD-CD1 4.32Å; M249-F297 HydrophobicContact SD-CE1 3.84Å
298	F	98.5	Very high	96.1	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147.3	-179.7	60.5	-85.5	0	0	0	115.9	Q197 L198 K248 F250 I296 L302 V304	Q197-F298 CarbonylContact O-C 3.59Å; Q197-F298 WeakPolarHBondContact O-CA 3.38Å; Q197-F298 VanDerWaalsContact O-CB 3.25Å; Q197-F298 WeakPolarHBondContact O-CB 3.14Å; L198-F298 HydrophobicContact CD1-CB 3.77Å; L198-F298 HydrophobicContact CD1-CD1 4.45Å; L198-F298 HydrophobicContact CD1-CG 4.44Å; K248-F298 HydrophobicContact CB-CD2 4.4Å; K248-F298 HydrophobicContact CB-CE1 4.11Å; K248-F298 HydrophobicContact CB-CE2 3.95Å; K248-F298 HydrophobicContact CB-CZ 3.79Å; K248-F298 HydrophobicContact CD-CE2 3.73Å; K248-F298 HydrophobicContact CD-CZ 3.9Å; K248-F298 HydrophobicContact CG-CE2 4.35Å; K248-F298 HydrophobicContact CG-CZ 4.48Å; K248-F298 PolarHBondContact N-O 2.78Å; K248-F298 PolarHBondContact O-N 2.93Å; F250-F298 AromaticContact CD2-CE1 3.69Å; F250-F298 HydrophobicContact CD2-CE1 3.69Å; F250-F298 HydrophobicContact CD2-CZ 4.02Å; F250-F298 AromaticContact CE2-CE1 3.93Å; F250-F298 HydrophobicContact CE2-CE1 3.93Å; F250-F298 AromaticContact CE2-CZ 3.77Å; F250-F298 HydrophobicContact CE2-CZ 3.77Å; I296-F298 HydrophobicContact CD1-CD1 4.21Å; I296-F298 HydrophobicContact CD1-CE1 3.88Å; I296-F298 HydrophobicContact CG1-CD1 4.38Å; I296-F298 HydrophobicContact CG1-CE1 4.29Å; F298-L302 HydrophobicContact CB-CD1 4.37Å; F298-L302 HydrophobicContact CD2-CB 4.46Å; F298-V304 HydrophobicContact CD1-CG2 3.79Å; F298-V304 HydrophobicContact CD2-CG2 4.02Å; F298-V304 HydrophobicContact CE1-CB 4.17Å; F298-V304 HydrophobicContact CE1-CG2 3.72Å; F298-V304 HydrophobicContact CE2-CB 4.4Å; F298-V304 HydrophobicContact CE2-CG2 3.96Å; F298-V304 HydrophobicContact CG-CG2 3.93Å; F298-V304 HydrophobicContact CZ-CB 4.01Å; F298-V304 HydrophobicContact CZ-CG2 3.82Å
299	G	97.7	Very high	96.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.01	17%	0.166	C	C	.	.			trans	-80.9	173	176.6	0	0	0	0	0	113.3	Q197 G301 L302	Q197-G299 PolarHBondContact O-N 3.29Å; G299-G301 PolarHBondContact O-N 3.43Å; G299-L302 PolarHBondContact O-N 3.27Å
300	P	96.5	Very high	96.3	Very high	43 Å²	43	32.9 Å²	32.9	28%	0.279	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.1	-174.3	28.7	-37.6	0	0	0	114	E245 Y247 L302	E245-P300 HydrophobicContact CB-CB 3.75Å; E245-P300 HydrophobicContact CB-CG 3.81Å; E245-P300 HydrophobicContact CG-CB 3.98Å; E245-P300 HydrophobicContact CG-CG 4.07Å; E245-P300 WeakPolarHBondContact OE2-CG 3.38Å; Y247-P300 HydrophobicContact CE2-CG 4.31Å; P300-L302 PolarHBondContact O-N 3.29Å
301	G	94.3	Very high	96.1	Very high	51 Å²	51	32 Å²	32	53%	0.526	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	2.1	178.5	0	0	0	0	0	114.5	Q197 G299	Q197-G301 VanDerWaalsContact OE1-N 3.08Å; G299-G301 PolarHBondContact O-N 3.43Å
302	L	95.3	Very high	95.8	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.084	20%	0.198	C	C	.	.			trans	-124.1	138.2	179.8	-68.3	176.2	0	0	0	111.8	Q197 L198 F298 G299 P300	Q197-L302 HydrophobicContact CB-CD1 3.8Å; Q197-L302 HydrophobicContact CB-CG 4.17Å; Q197-L302 WeakPolarHBondContact O-CD1 3.14Å; L198-L302 HydrophobicContact CB-CD1 3.56Å; L198-L302 HydrophobicContact CD1-CD1 4.42Å; L198-L302 HydrophobicContact CD2-CD1 4.39Å; L198-L302 HydrophobicContact CG-CD1 4.35Å; F298-L302 HydrophobicContact CB-CD1 4.37Å; F298-L302 HydrophobicContact CD2-CB 4.46Å; G299-L302 PolarHBondContact O-N 3.27Å; P300-L302 PolarHBondContact O-N 3.29Å
303	D	94.8	Very high	95.2	Very high	89 Å²	89	40.4 Å²	40.4	48%	0.476	23%	0.225	S	C	.	.			trans	-112.9	101.9	172.6	-174.6	23.8	0	0	0	109	T322 K323	D303-T322 CarbonylContact O-C 3.59Å; D303-T322 WeakPolarHBondContact O-CA 3.27Å; D303-T322 WeakPolarHBondContact O-CB 3.18Å; D303-K323 HydrophobicContact CB-CB 4.18Å; D303-K323 PolarHBondContact O-N 2.65Å
304	V	96.4	Very high	94.8	Very high	28 Å²	28	44.3 Å²	44.3	17%	0.17	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.3	178.8	178.1	0	0	0	0	108.6	L198 I296 F298 L320 T322	L198-V304 HydrophobicContact CD1-CG2 4.35Å; I296-V304 HydrophobicContact CD1-CG1 3.96Å; F298-V304 HydrophobicContact CD1-CG2 3.79Å; F298-V304 HydrophobicContact CD2-CG2 4.02Å; F298-V304 HydrophobicContact CE1-CB 4.17Å; F298-V304 HydrophobicContact CE1-CG2 3.72Å; F298-V304 HydrophobicContact CE2-CB 4.4Å; F298-V304 HydrophobicContact CE2-CG2 3.96Å; F298-V304 HydrophobicContact CG-CG2 3.93Å; F298-V304 HydrophobicContact CZ-CB 4.01Å; F298-V304 HydrophobicContact CZ-CG2 3.82Å; V304-L320 HydrophobicContact CG1-CD1 3.66Å; V304-T322 HydrophobicContact CG2-CG2 4.35Å
305	Q	95.8	Very high	94.5	Very high	116 Å²	116	46.2 Å²	46.2	54%	0.542	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-33.9	-175.6	-64.3	-176.7	-17.1	0	0	112.8	S321	Q305-S321 PolarHBondContact N-O 2.92Å
306	S	95.3	Very high	94.3	Very high	52 Å²	52	46.2 Å²	46.2	36%	0.364	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	143.8	176.6	75.8	0	0	0	0	111	L320 S321	S306-L320 WeakPolarHBondContact O-CA 3.39Å; S306-L320 WeakPolarHBondContact O-CD1 3.45Å; S306-S321 WeakPolarHBondContact CB-OG 3.47Å; S306-S321 PolarHBondContact N-O 3.11Å; S306-S321 PolarHBondContact N-OG 3.01Å; S306-S321 PolarHBondContact O-N 2.94Å; S306-S321 WeakPolarHBondContact OG-CB 3.5Å; S306-S321 PolarHBondContact OG-N 2.9Å; S306-S321 PolarHBondContact OG-OG 2.8Å
307	F	96.1	Very high	94.2	Very high	24 Å²	24	46.8 Å²	46.8	11%	0.105	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	117.5	173.9	171.7	-142.9	0	0	0	107.1	V235 M252 A294 I296 I318 Y319 L320	V235-F307 HydrophobicContact CG1-CD1 4.47Å; M252-F307 HydrophobicContact CE-CB 4.45Å; M252-F307 HydrophobicContact CE-CD1 3.59Å; M252-F307 HydrophobicContact CE-CE1 3.9Å; M252-F307 HydrophobicContact CE-CG 4Å; M252-F307 WeakPolarHBondContact CE-O 3.45Å; M252-F307 HydrophobicContact CG-CD1 4.48Å; M252-F307 HydrophobicContact CG-CE1 3.84Å; M252-F307 HydrophobicContact CG-CZ 3.9Å; M252-F307 HydrophobicContact SD-CD1 4.46Å; M252-F307 HydrophobicContact SD-CE1 4.36Å; A294-F307 HydrophobicContact CB-CE2 3.97Å; A294-F307 HydrophobicContact CB-CZ 3.64Å; I296-F307 HydrophobicContact CD1-CB 4.1Å; I296-F307 HydrophobicContact CD1-CD1 3.72Å; I296-F307 HydrophobicContact CD1-CE1 4.31Å; I296-F307 HydrophobicContact CD1-CG 3.91Å; I296-F307 HydrophobicContact CG1-CD1 3.96Å; I296-F307 HydrophobicContact CG1-CE1 4.03Å; I296-F307 HydrophobicContact CG1-CG 4.46Å; I296-F307 HydrophobicContact CG2-CD1 4.4Å; I296-F307 HydrophobicContact CG2-CD2 4.05Å; I296-F307 HydrophobicContact CG2-CE1 4.2Å; I296-F307 HydrophobicContact CG2-CE2 3.83Å; I296-F307 HydrophobicContact CG2-CG 4.35Å; I296-F307 HydrophobicContact CG2-CZ 3.91Å; F307-I318 HydrophobicContact CD2-CG2 4.24Å; F307-I318 HydrophobicContact CE2-CG2 3.94Å; F307-Y319 CarbonylContact C-O 3.21Å; F307-Y319 WeakPolarHBondContact CA-O 3.48Å; F307-L320 HydrophobicContact CB-CD1 3.97Å; F307-L320 HydrophobicContact CD2-CD1 4.18Å; F307-L320 HydrophobicContact CG-CD1 4.31Å
308	S	95	Very high	94.1	Very high	44 Å²	44	46.8 Å²	46.8	31%	0.308	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.1	177.1	63.2	0	0	0	0	111.6	Y319	S308-Y319 PolarHBondContact N-O 3.45Å; S308-Y319 PolarHBondContact O-N 3.49Å
309	L	94.9	Very high	94.1	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.6	-173	-169.1	62.8	0	0	0	110	M252 D253 D254 N256 A294 V316 I318	M252-L309 HydrophobicContact CG-CB 4.19Å; M252-L309 HydrophobicContact SD-CB 4.05Å; D253-L309 VanDerWaalsContact C-CD2 3.48Å; D254-L309 HydrophobicContact CB-CD2 3.9Å; D254-L309 HydrophobicContact CB-CG 4.1Å; N256-L309 PolarHBondContact OD1-N 2.97Å; N256-L309 PolarHBondContact OD1-O 2.98Å; N256-L309 VanDerWaalsContact OD1-O 3.09Å; A294-L309 HydrophobicContact CB-CD1 4.01Å; A294-L309 HydrophobicContact CB-CD2 3.78Å; A294-L309 HydrophobicContact CB-CG 4.48Å; L309-V316 HydrophobicContact CD1-CG1 3.15Å; L309-V316 HydrophobicContact CG-CG1 3.95Å; L309-I318 HydrophobicContact CD1-CB 4.27Å; L309-I318 HydrophobicContact CD1-CD1 4.37Å; L309-I318 HydrophobicContact CD1-CG1 3.36Å
310	R	93.7	Very high	94.1	Very high	156 Å²	156	50.8 Å²	50.8	59%	0.589	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	116.4	173.2	-171.2	178.1	-175.7	176.5	0.4	110.6	D317	R310-D317 HydrophobicContact CB-CB 4.38Å; R310-D317 PolarHBondContact N-O 2.74Å; R310-D317 PolarHBondContact O-N 2.65Å
311	G	90.3	Very high	94.1	Very high	23 Å²	23	49.7 Å²	49.7	24%	0.237	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	136.7	173.6	0	0	0	0	0	112.4	R292	R292-G311 VanDerWaalsContact NH2-CA 3.32Å
312	H	87.9	Confident	94.2	Very high	73 Å²	73	47.5 Å²	47.5	34%	0.338	24%	0.241	S	C	.	.			trans	-113.9	-165.7	165.7	-66.4	-72.4	0	0	0	109.7	R292 Q315 D317	R292-H312 PolarHBondContact NH1-O 2.91Å; R292-H312 PolarHBondContact NH2-O 2.81Å; H312-Q315 WeakPolarHBondContact CA-O 3.47Å; H312-Q315 HydrophobicContact CB-CB 4.43Å; H312-Q315 WeakPolarHBondContact CB-O 3.27Å; H312-Q315 PolarHBondContact N-O 3.07Å; H312-D317 IonicContact CD2-OD1 2.74Å; H312-D317 IonicContact CD2-OD2 2.74Å; H312-D317 IonicContact NE2-OD2 3.13Å; H312-D317 PolarHBondContact NE2-OD2 3.22Å
313	D	85.4	Confident	94.2	Very high	117 Å²	117	53.7 Å²	53.7	63%	0.626	27%	0.267	S	S	*	.	S	Bend	trans	-72.6	-54.4	179	-166.7	39.8	0	0	0	111.2
314	Q	88.4	Confident	94.2	Very high	85 Å²	85	54.5 Å²	54.5	40%	0.397	27%	0.271	S	S	.	.	S	Bend	trans	-107.7	3.7	-176.3	-59.6	-171.5	-13	0	0	114.8	T333 G334	Q314-T333 PolarHBondContact O-N 3.39Å; Q314-T333 PolarHBondContact O-OG1 2.74Å; Q314-G334 PolarHBondContact O-N 2.02Å
315	Q	91.9	Very high	94.3	Very high	39 Å²	39	56.7 Å²	56.7	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	154.3	-168.2	174.5	175	-19.1	0	0	111.1	R292 H312 D317 Y330 L331 L332	R292-Q315 PolarHBondContact NH1-O 2.82Å; R292-Q315 VanDerWaalsContact NH1-O 3.07Å; H312-Q315 WeakPolarHBondContact CA-O 3.47Å; H312-Q315 HydrophobicContact CB-CB 4.43Å; H312-Q315 WeakPolarHBondContact CB-O 3.27Å; H312-Q315 PolarHBondContact N-O 3.07Å; Q315-D317 WeakPolarHBondContact CG-OD1 3.18Å; Q315-D317 PolarHBondContact NE2-OD1 2.83Å; Q315-Y330 VanDerWaalsContact NE2-CB 3.35Å; Q315-L331 CarbonylContact C-O 3.58Å; Q315-L331 VanDerWaalsContact CA-O 3.29Å; Q315-L331 WeakPolarHBondContact CA-O 3.42Å; Q315-L332 HydrophobicContact CB-CD1 4.4Å; Q315-L332 HydrophobicContact CG-CD1 3.99Å
316	V	94.8	Very high	94.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.4	169.6	-179.5	0	0	0	0	108.9	R292 L309 I318 L331 T333	R292-V316 HydrophobicContact CB-CG2 3.93Å; R292-V316 HydrophobicContact CG-CG2 3.91Å; L309-V316 HydrophobicContact CD1-CG1 3.15Å; L309-V316 HydrophobicContact CG-CG1 3.95Å; V316-I318 HydrophobicContact CG1-CD1 4.01Å; V316-I318 HydrophobicContact CG1-CG1 4.12Å; V316-L331 PolarHBondContact N-O 3.4Å; V316-L331 PolarHBondContact O-N 3.38Å; V316-T333 HydrophobicContact CG2-CG2 4.13Å
317	D	96.1	Very high	94.5	Very high	15 Å²	15	52.3 Å²	52.3	8%	0.08	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.6	176.1	-64.9	7.2	0	0	0	108	R310 H312 Q315 Y319 I329 Y330	R310-D317 HydrophobicContact CB-CB 4.38Å; R310-D317 PolarHBondContact N-O 2.74Å; R310-D317 PolarHBondContact O-N 2.65Å; H312-D317 IonicContact CD2-OD1 2.74Å; H312-D317 IonicContact CD2-OD2 2.74Å; H312-D317 IonicContact NE2-OD2 3.13Å; H312-D317 PolarHBondContact NE2-OD2 3.22Å; Q315-D317 WeakPolarHBondContact CG-OD1 3.18Å; Q315-D317 PolarHBondContact NE2-OD1 2.83Å; D317-Y319 HydrophobicContact CB-CE2 4.04Å; D317-I329 CarbonylContact C-O 3.54Å; D317-I329 WeakPolarHBondContact CA-O 3.33Å; D317-Y330 HydrophobicContact CB-CD1 4.38Å; D317-Y330 WeakPolarHBondContact OD1-CD1 3.36Å
318	I	97.6	Very high	94.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127	177.1	-49.8	98.2	0	0	0	108.3	L200 V202 F307 L309 V316 I329 L331	L200-I318 HydrophobicContact CD1-CG2 4.36Å; L200-I318 HydrophobicContact CD2-CB 4.34Å; L200-I318 HydrophobicContact CD2-CD1 4.11Å; L200-I318 HydrophobicContact CD2-CG1 4.22Å; L200-I318 HydrophobicContact CD2-CG2 4.23Å; V202-I318 HydrophobicContact CG2-CD1 4.25Å; F307-I318 HydrophobicContact CD2-CG2 4.24Å; F307-I318 HydrophobicContact CE2-CG2 3.94Å; L309-I318 HydrophobicContact CD1-CB 4.27Å; L309-I318 HydrophobicContact CD1-CD1 4.37Å; L309-I318 HydrophobicContact CD1-CG1 3.36Å; V316-I318 HydrophobicContact CG1-CD1 4.01Å; V316-I318 HydrophobicContact CG1-CG1 4.12Å; I318-I329 HydrophobicContact CB-CB 4.15Å; I318-I329 HydrophobicContact CB-CD1 4.13Å; I318-I329 HydrophobicContact CD1-CB 4Å; I318-I329 HydrophobicContact CD1-CG2 4.01Å; I318-I329 HydrophobicContact CG2-CD1 4.31Å; I318-I329 PolarHBondContact N-O 2.81Å; I318-I329 PolarHBondContact O-N 2.73Å; I318-L331 HydrophobicContact CD1-CB 4.24Å
319	Y	97.3	Very high	94.7	Very high	90 Å²	90	50.4 Å²	50.4	35%	0.353	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122	171.7	-58.3	-90.3	0	0	0	108.3	F307 S308 D317 T328	F307-Y319 CarbonylContact C-O 3.21Å; F307-Y319 WeakPolarHBondContact CA-O 3.48Å; S308-Y319 PolarHBondContact N-O 3.45Å; S308-Y319 PolarHBondContact O-N 3.49Å; D317-Y319 HydrophobicContact CB-CE2 4.04Å; Y319-T328 HydrophobicContact CD1-CG2 3.88Å; Y319-T328 HydrophobicContact CE1-CG2 3.51Å
320	L	97.4	Very high	94.8	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	119.5	-177.6	-179	69	0	0	0	108.3	L194 L198 I296 V304 S306 F307 Y327	L194-L320 HydrophobicContact CD1-CD2 3.65Å; L198-L320 HydrophobicContact CD1-CD2 4.15Å; L198-L320 HydrophobicContact CD2-CD2 3.65Å; L198-L320 HydrophobicContact CD2-CG 4.48Å; L198-L320 HydrophobicContact CG-CD2 4.08Å; I296-L320 HydrophobicContact CD1-CD1 4.04Å; I296-L320 HydrophobicContact CG2-CD1 4.16Å; I296-L320 HydrophobicContact CG2-CD2 4.3Å; V304-L320 HydrophobicContact CG1-CD1 3.66Å; S306-L320 WeakPolarHBondContact O-CA 3.39Å; S306-L320 WeakPolarHBondContact O-CD1 3.45Å; F307-L320 HydrophobicContact CB-CD1 3.97Å; F307-L320 HydrophobicContact CD2-CD1 4.18Å; F307-L320 HydrophobicContact CG-CD1 4.31Å; L320-Y327 PolarHBondContact N-O 2.84Å; L320-Y327 PolarHBondContact O-N 2.82Å
321	S	97.4	Very high	94.9	Very high	20 Å²	20	46.1 Å²	46.1	14%	0.14	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.3	173.3	72.8	0	0	0	0	110.6	Q305 S306	Q305-S321 PolarHBondContact N-O 2.92Å; S306-S321 WeakPolarHBondContact CB-OG 3.47Å; S306-S321 PolarHBondContact N-O 3.11Å; S306-S321 PolarHBondContact N-OG 3.01Å; S306-S321 PolarHBondContact O-N 2.94Å; S306-S321 WeakPolarHBondContact OG-CB 3.5Å; S306-S321 PolarHBondContact OG-N 2.9Å; S306-S321 PolarHBondContact OG-OG 2.8Å
322	T	97.2	Very high	95.1	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	174.2	162.8	71.1	0	0	0	0	109	L198 D303 V304 D324 H325 Y327	L198-T322 HydrophobicContact CD2-CG2 4.12Å; D303-T322 CarbonylContact O-C 3.59Å; D303-T322 WeakPolarHBondContact O-CA 3.27Å; D303-T322 WeakPolarHBondContact O-CB 3.18Å; V304-T322 HydrophobicContact CG2-CG2 4.35Å; T322-D324 PolarHBondContact O-N 2.98Å; T322-D324 PolarHBondContact OG1-N 2.74Å; T322-H325 PolarHBondContact N-O 3.42Å; T322-H325 PolarHBondContact OG1-N 3.01Å; T322-H325 PolarHBondContact OG1-O 2.76Å; T322-Y327 HydrophobicContact CG2-CE2 4.22Å
323	K	95.5	Very high	95.2	Very high	146 Å²	146	42 Å²	42	64%	0.635	21%	0.205	S	C	*	.	S	Bend	trans	-53.8	-33.1	171.3	-178.1	-180	175.1	-175.1	0	113.5	D303	D303-K323 HydrophobicContact CB-CB 4.18Å; D303-K323 PolarHBondContact O-N 2.65Å
324	D	94.8	Very high	95	Very high	106 Å²	106	37 Å²	37	57%	0.567	18%	0.182	S	C	*	.	S	Bend	trans	-104.9	-28.1	-171.1	-53.2	-50.2	0	0	0	113.5	T322	T322-D324 PolarHBondContact O-N 2.98Å; T322-D324 PolarHBondContact OG1-N 2.74Å
325	H	96.7	Very high	94.1	Very high	73 Å²	73	36.8 Å²	36.8	34%	0.338	18%	0.181	S	C	.	.			trans	-142.1	151	-170.6	-66.9	-62.4	0	0	0	113.1	T322 Y327 L347 D348	T322-H325 PolarHBondContact N-O 3.42Å; T322-H325 PolarHBondContact OG1-N 3.01Å; T322-H325 PolarHBondContact OG1-O 2.76Å; H325-Y327 HydrophobicContact CB-CD2 4.46Å; H325-Y327 HydrophobicContact CB-CE2 3.68Å; H325-L347 HydrophobicContact CB-CD1 3.83Å; H325-D348 IonicContact CE1-OD2 3.83Å; H325-D348 IonicContact CG-OD2 2.65Å; H325-D348 IonicContact ND1-OD2 2.88Å; H325-D348 PolarHBondContact ND1-OD2 2.97Å
326	T	97.6	Very high	92.9	Very high	69 Å²	69	40.8 Å²	40.8	42%	0.423	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133	170.9	60	0	0	0	0	110.9	L347 D348	T326-L347 WeakPolarHBondContact O-CA 3.2Å; T326-D348 PolarHBondContact N-OD1 3.26Å; T326-D348 PolarHBondContact O-N 2.92Å; T326-D348 PolarHBondContact OG1-OD1 3.28Å
327	Y	98.1	Very high	91.4	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.027	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.7	178.5	-54.7	-97.9	0	0	0	108.9	M167 L194 L198 L320 T322 H325 V345 L346 L347	M167-Y327 HydrophobicContact CE-CD1 4.33Å; M167-Y327 HydrophobicContact CE-CE1 4.03Å; L194-Y327 HydrophobicContact CB-CD1 4.06Å; L194-Y327 HydrophobicContact CB-CE1 3.82Å; L194-Y327 HydrophobicContact CD1-CD1 4.15Å; L194-Y327 HydrophobicContact CD1-CG 4.2Å; L194-Y327 HydrophobicContact CD2-CD1 3.89Å; L194-Y327 HydrophobicContact CD2-CE1 4.4Å; L194-Y327 HydrophobicContact CG-CD1 4.27Å; L198-Y327 HydrophobicContact CD2-CD2 4.41Å; L198-Y327 HydrophobicContact CD2-CE2 3.99Å; L320-Y327 PolarHBondContact N-O 2.84Å; L320-Y327 PolarHBondContact O-N 2.82Å; T322-Y327 HydrophobicContact CG2-CE2 4.22Å; H325-Y327 HydrophobicContact CB-CD2 4.46Å; H325-Y327 HydrophobicContact CB-CE2 3.68Å; Y327-V345 HydrophobicContact CD1-CG1 4.38Å; Y327-L346 WeakPolarHBondContact CA-O 3.48Å; Y327-L347 HydrophobicContact CD1-CD1 3.91Å; Y327-L347 HydrophobicContact CE1-CD1 3.52Å; Y327-L347 HydrophobicContact CE2-CD1 4.47Å
328	T	98	Very high	90	Very high	27 Å²	27	46.4 Å²	46.4	17%	0.166	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.3	164.8	-53.7	0	0	0	0	108.7	Y319 Y330 L346	Y319-T328 HydrophobicContact CD1-CG2 3.88Å; Y319-T328 HydrophobicContact CE1-CG2 3.51Å; T328-Y330 HydrophobicContact CG2-CE1 3.96Å; T328-Y330 HydrophobicContact CG2-CE2 3.93Å; T328-L346 PolarHBondContact N-O 3.39Å; T328-L346 PolarHBondContact O-N 2.82Å
329	I	98.1	Very high	89.1	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.3	-177	-53.1	93.5	0	0	0	109.4	L192 L194 L200 D317 I318 I344 V345	L192-I329 HydrophobicContact CD2-CB 4.47Å; L192-I329 HydrophobicContact CD2-CG1 3.96Å; L192-I329 HydrophobicContact CD2-CG2 3.64Å; L194-I329 HydrophobicContact CD1-CD1 4.12Å; L194-I329 HydrophobicContact CD2-CD1 4.5Å; L194-I329 HydrophobicContact CD2-CG1 4.17Å; L200-I329 HydrophobicContact CD2-CB 4.49Å; L200-I329 HydrophobicContact CD2-CD1 4.16Å; L200-I329 HydrophobicContact CD2-CG1 4.26Å; L200-I329 HydrophobicContact CD2-CG2 4.44Å; D317-I329 CarbonylContact C-O 3.54Å; D317-I329 WeakPolarHBondContact CA-O 3.33Å; I318-I329 HydrophobicContact CB-CB 4.15Å; I318-I329 HydrophobicContact CB-CD1 4.13Å; I318-I329 HydrophobicContact CD1-CB 4Å; I318-I329 HydrophobicContact CD1-CG2 4.01Å; I318-I329 HydrophobicContact CG2-CD1 4.31Å; I318-I329 PolarHBondContact N-O 2.81Å; I318-I329 PolarHBondContact O-N 2.73Å; I329-I344 WeakPolarHBondContact CA-O 3.05Å; I329-V345 HydrophobicContact CG1-CG1 4.34Å; I329-V345 HydrophobicContact CG1-CG2 4.28Å; I329-V345 HydrophobicContact CG2-CG2 4.34Å
330	Y	96.8	Very high	88.7	Confident	64 Å²	64	51.8 Å²	51.8	25%	0.251	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	104.7	172.4	-59	-62.3	0	0	0	108.5	Q315 D317 T328 A343 I344 L346	Q315-Y330 VanDerWaalsContact NE2-CB 3.35Å; D317-Y330 HydrophobicContact CB-CD1 4.38Å; D317-Y330 WeakPolarHBondContact OD1-CD1 3.36Å; T328-Y330 HydrophobicContact CG2-CE1 3.96Å; T328-Y330 HydrophobicContact CG2-CE2 3.93Å; Y330-A343 CarbonylContact O-C 3.26Å; Y330-A343 VanDerWaalsContact O-CA 3.23Å; Y330-A343 WeakPolarHBondContact O-CA 3.35Å; Y330-I344 HydrophobicContact CD2-CB 4.17Å; Y330-I344 HydrophobicContact CD2-CG2 4.26Å; Y330-I344 PolarHBondContact N-O 3.37Å; Y330-I344 PolarHBondContact O-N 2.82Å; Y330-L346 HydrophobicContact CE2-CD1 3.76Å; Y330-L346 HydrophobicContact CE2-CG 4.14Å
331	L	96.4	Very high	88.4	Confident	6 Å²	6	52.3 Å²	52.3	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.3	-179	-178.4	67.4	0	0	0	110.4	F169 N190 V202 Q315 V316 I318 T333 A343	F169-L331 HydrophobicContact CE2-CD1 3.82Å; F169-L331 HydrophobicContact CZ-CD1 4.27Å; N190-L331 HydrophobicContact CB-CD1 4.27Å; N190-L331 HydrophobicContact CB-CD2 3.88Å; V202-L331 HydrophobicContact CB-CD2 3.6Å; V202-L331 HydrophobicContact CG1-CD2 3.77Å; V202-L331 HydrophobicContact CG2-CD2 3.91Å; Q315-L331 CarbonylContact C-O 3.58Å; Q315-L331 VanDerWaalsContact CA-O 3.29Å; Q315-L331 WeakPolarHBondContact CA-O 3.42Å; V316-L331 PolarHBondContact N-O 3.4Å; V316-L331 PolarHBondContact O-N 3.38Å; I318-L331 HydrophobicContact CD1-CB 4.24Å; L331-T333 HydrophobicContact CD2-CG2 4.36Å; L331-T333 HydrophobicContact CG-CG2 4.31Å; L331-A343 HydrophobicContact CD1-CB 4.01Å
332	L	94.8	Very high	88.3	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.037	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	116.4	-178.5	-81.5	47	0	0	0	109.7	R171 Q315 T337 K339 V341 F342	R171-L332 PolarHBondContact NH1-O 2.99Å; R171-L332 PolarHBondContact NH2-O 3.46Å; Q315-L332 HydrophobicContact CB-CD1 4.4Å; Q315-L332 HydrophobicContact CG-CD1 3.99Å; L332-T337 HydrophobicContact CB-CG2 3.98Å; L332-T337 HydrophobicContact CD2-CG2 4.43Å; L332-T337 HydrophobicContact CG-CG2 4.45Å; L332-K339 HydrophobicContact CD2-CB 3.92Å; L332-K339 HydrophobicContact CD2-CD 4.48Å; L332-V341 HydrophobicContact CD2-CG2 3.45Å; L332-V341 VanDerWaalsContact CD2-CG2 3.45Å; L332-V341 VanDerWaalsContact CD2-O 3.28Å; L332-V341 WeakPolarHBondContact CD2-O 3.24Å; L332-F342 PolarHBondContact N-O 3.22Å
333	T	89.6	Confident	88.2	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.006	28%	0.28	C	S	.	.			trans	-105.2	-14.8	-173.6	57.6	0	0	0	0	113.6	H204 Q314 V316 L331	H204-T333 HydrophobicContact CB-CG2 4Å; Q314-T333 PolarHBondContact O-N 3.39Å; Q314-T333 PolarHBondContact O-OG1 2.74Å; V316-T333 HydrophobicContact CG2-CG2 4.13Å; L331-T333 HydrophobicContact CD2-CG2 4.36Å; L331-T333 HydrophobicContact CG-CG2 4.31Å
334	G	80.6	Confident	88.3	Confident	13 Å²	13	45.5 Å²	45.5	13%	0.134	25%	0.254	C	S	.	.			trans	-63.2	145.8	178.9	0	0	0	0	0	113.8	Q314 T337 R356	Q314-G334 PolarHBondContact O-N 2.02Å; G334-T337 WeakPolarHBondContact O-CG2 3.45Å; G334-R356 PolarHBondContact O-NH2 2.97Å
335	E	69.3	Low	88.5	Confident	81 Å²	81	40.5 Å²	40.5	38%	0.379	23%	0.227	S	C	.	.	S	Bend	trans	-62	-52.3	171.7	-77.6	-177	144	0	0	110.7	R185 N186	R185-E335 IonicContact CZ-OE2 3.94Å; R185-E335 VanDerWaalsContact CZ-OE2 3.31Å; R185-E335 IonicContact NE-OE1 3.31Å; R185-E335 IonicContact NE-OE2 2.68Å; R185-E335 PolarHBondContact NE-OE2 2.81Å; R185-E335 VanDerWaalsContact NE-OE2 3.11Å; R185-E335 IonicContact NH2-OE2 3.11Å; R185-E335 PolarHBondContact NH2-OE2 2.91Å; N186-E335 PolarHBondContact ND2-OE1 3.41Å; N186-E335 PolarHBondContact OD1-OE1 3.49Å; N186-E335 VanDerWaalsContact OD1-OE1 3.06Å
336	V	66.4	Low	88.5	Confident	123 Å²	123	39.4 Å²	39.4	75%	0.745	22%	0.224	S	C	*	.	S	Bend	trans	-101.9	98.1	174.7	-175.1	0	0	0	0	108.2
337	T	62.9	Low	88.5	Confident	21 Å²	21	37.8 Å²	37.8	13%	0.129	21%	0.212	C	C	.	.			trans	-93.9	137.1	174.3	56.4	0	0	0	0	110	L332 G334 K339 R356	L332-T337 HydrophobicContact CB-CG2 3.98Å; L332-T337 HydrophobicContact CD2-CG2 4.43Å; L332-T337 HydrophobicContact CG-CG2 4.45Å; G334-T337 WeakPolarHBondContact O-CG2 3.45Å; T337-K339 PolarHBondContact O-N 2.77Å; T337-K339 PolarHBondContact OG1-O 2.98Å; T337-R356 PolarHBondContact OG1-NE 2.65Å; T337-R356 PolarHBondContact OG1-NH1 3.4Å; T337-R356 PolarHBondContact OG1-NH2 3.33Å; T337-R356 VanDerWaalsContact OG1-NH2 3.11Å
338	S	67.7	Low	88.3	Confident	112 Å²	112	40.5 Å²	40.5	78%	0.783	23%	0.227	S	C	*	.	S	Bend	trans	-65.4	-16.7	171	55.2	0	0	0	0	113.1
339	K	79.3	Confident	87.9	Confident	105 Å²	105	48.6 Å²	48.6	46%	0.457	26%	0.262	S	S	.	.	S	Bend	trans	-110.9	139.3	-177.7	-61.7	179.4	-177.1	172.6	0	111.1	L332 T337 V341	L332-K339 HydrophobicContact CD2-CB 3.92Å; L332-K339 HydrophobicContact CD2-CD 4.48Å; T337-K339 PolarHBondContact O-N 2.77Å; T337-K339 PolarHBondContact OG1-O 2.98Å; K339-V341 HydrophobicContact CB-CG2 4.1Å; K339-V341 PolarHBondContact O-N 3.27Å
340	P	87.2	Confident	87.8	Confident	97 Å²	97	53.3 Å²	53.3	63%	0.63	28%	0.283	S	S	*	.	S	Bend	trans	-81.4	37.3	-179	35.5	-37.4	0	0	0	113.1	R356	P340-R356 PolarHBondContact O-N 2.81Å
341	V	92.8	Very high	87.8	Confident	14 Å²	14	57.9 Å²	57.9	9%	0.085	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151	-175.6	-55	0	0	0	0	110.9	L332 K339 I344 V353 E355	L332-V341 HydrophobicContact CD2-CG2 3.45Å; L332-V341 VanDerWaalsContact CD2-CG2 3.45Å; L332-V341 VanDerWaalsContact CD2-O 3.28Å; L332-V341 WeakPolarHBondContact CD2-O 3.24Å; K339-V341 HydrophobicContact CB-CG2 4.1Å; K339-V341 PolarHBondContact O-N 3.27Å; V341-I344 HydrophobicContact CG2-CD1 4.22Å; V341-I344 HydrophobicContact CG2-CG1 4.19Å; V341-V353 HydrophobicContact CB-CG1 4.2Å; V341-V353 HydrophobicContact CG1-CG1 3.57Å; V341-E355 HydrophobicContact CG1-CG 4.43Å
342	F	94.4	Very high	87.8	Confident	11 Å²	11	57.9 Å²	57.9	5%	0.048	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-48.8	170.8	-71.4	-66.1	0	0	0	111.2	A160 I162 F169 L332 F354 R356 A359	A160-F342 HydrophobicContact CB-CD2 3.94Å; A160-F342 HydrophobicContact CB-CE1 4.41Å; A160-F342 HydrophobicContact CB-CE2 3.51Å; A160-F342 HydrophobicContact CB-CZ 3.79Å; I162-F342 HydrophobicContact CD1-CD2 4.09Å; I162-F342 HydrophobicContact CD1-CE2 4.35Å; F169-F342 HydrophobicContact CD1-CB 4.16Å; F169-F342 HydrophobicContact CE1-CB 3.35Å; F169-F342 HydrophobicContact CE1-CD1 4.25Å; F169-F342 AromaticContact CE1-CD2 4Å; F169-F342 HydrophobicContact CE1-CD2 4Å; F169-F342 AromaticContact CE1-CG 3.65Å; F169-F342 HydrophobicContact CE1-CG 3.65Å; F169-F342 HydrophobicContact CZ-CB 3.6Å; F169-F342 HydrophobicContact CZ-CG 4.2Å; L332-F342 PolarHBondContact N-O 3.22Å; F342-F354 HydrophobicContact CB-CB 4.48Å; F342-F354 PolarHBondContact N-O 3.24Å; F342-R356 HydrophobicContact CD1-CG 4.04Å; F342-R356 HydrophobicContact CD2-CG 4.02Å; F342-R356 HydrophobicContact CE1-CG 3.94Å; F342-R356 HydrophobicContact CE2-CB 4.18Å; F342-R356 HydrophobicContact CE2-CG 3.93Å; F342-R356 HydrophobicContact CG-CG 4.08Å; F342-R356 HydrophobicContact CZ-CB 4.34Å; F342-R356 HydrophobicContact CZ-CG 3.88Å; F342-A359 HydrophobicContact CE2-CB 3.92Å; F342-A359 HydrophobicContact CZ-CB 3.91Å
343	A	96.3	Very high	87.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	151.8	-178.2	0	0	0	0	0	111.6	F169 Y330 L331 F354	F169-A343 HydrophobicContact CD2-CB 4.2Å; F169-A343 HydrophobicContact CE2-CB 4.08Å; Y330-A343 CarbonylContact O-C 3.26Å; Y330-A343 VanDerWaalsContact O-CA 3.23Å; Y330-A343 WeakPolarHBondContact O-CA 3.35Å; L331-A343 HydrophobicContact CD1-CB 4.01Å; A343-F354 HydrophobicContact CB-CB 4.44Å; A343-F354 HydrophobicContact CB-CD2 4.08Å; A343-F354 PolarHBondContact O-N 3.31Å
344	I	96.9	Very high	88.2	Confident	18 Å²	18	59 Å²	59	9%	0.092	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.1	168.7	-58.1	167.6	0	0	0	107.3	I329 Y330 V341 L346 R351 I352 V353	I329-I344 WeakPolarHBondContact CA-O 3.05Å; Y330-I344 HydrophobicContact CD2-CB 4.17Å; Y330-I344 HydrophobicContact CD2-CG2 4.26Å; Y330-I344 PolarHBondContact N-O 3.37Å; Y330-I344 PolarHBondContact O-N 2.82Å; V341-I344 HydrophobicContact CG2-CD1 4.22Å; V341-I344 HydrophobicContact CG2-CG1 4.19Å; I344-L346 HydrophobicContact CG2-CD2 4.33Å; I344-R351 HydrophobicContact CG2-CG 4.02Å; I344-I352 CarbonylContact C-O 3.45Å; I344-I352 WeakPolarHBondContact CA-O 3.3Å; I344-V353 HydrophobicContact CG1-CG1 4.33Å; I344-V353 HydrophobicContact CG1-CG2 4.38Å; I344-V353 HydrophobicContact CG2-CG2 4.43Å
345	V	98	Very high	88.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.9	174.4	-176.3	0	0	0	0	108.3	M167 L192 L194 Y327 I329 I352 F354	M167-V345 HydrophobicContact CE-CG1 4.03Å; M167-V345 HydrophobicContact SD-CB 4.21Å; M167-V345 HydrophobicContact SD-CG1 3.9Å; M167-V345 HydrophobicContact SD-CG2 4.33Å; L192-V345 HydrophobicContact CD1-CG2 4.22Å; L192-V345 HydrophobicContact CD2-CG2 3.62Å; L192-V345 HydrophobicContact CG-CG2 4.45Å; L194-V345 HydrophobicContact CD2-CG1 3.91Å; L194-V345 HydrophobicContact CD2-CG2 4.27Å; Y327-V345 HydrophobicContact CD1-CG1 4.38Å; I329-V345 HydrophobicContact CG1-CG1 4.34Å; I329-V345 HydrophobicContact CG1-CG2 4.28Å; I329-V345 HydrophobicContact CG2-CG2 4.34Å; V345-I352 HydrophobicContact CB-CB 4.35Å; V345-I352 PolarHBondContact N-O 3.06Å; V345-I352 PolarHBondContact O-N 2.82Å; V345-F354 HydrophobicContact CG2-CE2 3.94Å
346	L	97.6	Very high	89.6	Confident	51 Å²	51	62.4 Å²	62.4	27%	0.267	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	105.3	165.6	-53.9	-179.7	0	0	0	107.3	Y327 T328 Y330 I344 K350 R351	Y327-L346 WeakPolarHBondContact CA-O 3.48Å; T328-L346 PolarHBondContact N-O 3.39Å; T328-L346 PolarHBondContact O-N 2.82Å; Y330-L346 HydrophobicContact CE2-CD1 3.76Å; Y330-L346 HydrophobicContact CE2-CG 4.14Å; I344-L346 HydrophobicContact CG2-CD2 4.33Å; L346-K350 CarbonylContact C-O 3.57Å; L346-K350 WeakPolarHBondContact CA-O 3.48Å; L346-R351 HydrophobicContact CD2-CB 3.74Å; L346-R351 HydrophobicContact CD2-CG 3.72Å
347	L	96.4	Very high	90.3	Very high	35 Å²	35	61.3 Å²	61.3	18%	0.183	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	102.9	170.5	169.2	61.7	0	0	0	107.4	M167 H325 T326 Y327 H349 K350	M167-L347 HydrophobicContact CE-CB 4.18Å; M167-L347 HydrophobicContact CE-CD2 3.99Å; H325-L347 HydrophobicContact CB-CD1 3.83Å; T326-L347 WeakPolarHBondContact O-CA 3.2Å; Y327-L347 HydrophobicContact CD1-CD1 3.91Å; Y327-L347 HydrophobicContact CE1-CD1 3.52Å; Y327-L347 HydrophobicContact CE2-CD1 4.47Å; L347-H349 PolarHBondContact O-N 3.38Å; L347-K350 PolarHBondContact N-O 2.89Å; L347-K350 WeakPolarHBondContact O-CB 3.09Å; L347-K350 PolarHBondContact O-N 3.02Å
348	D	94.2	Very high	90.9	Very high	64 Å²	64	62.4 Å²	62.4	34%	0.342	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	-95.5	-172.3	-53	-44.5	0	0	0	111.5	H325 T326	H325-D348 IonicContact CE1-OD2 3.83Å; H325-D348 IonicContact CG-OD2 2.65Å; H325-D348 IonicContact ND1-OD2 2.88Å; H325-D348 PolarHBondContact ND1-OD2 2.97Å; T326-D348 PolarHBondContact N-OD1 3.26Å; T326-D348 PolarHBondContact O-N 2.92Å; T326-D348 PolarHBondContact OG1-OD1 3.28Å
349	H	89.7	Confident	91.5	Very high	196 Å²	196	58.6 Å²	58.6	91%	0.907	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-3.7	176.2	-56	-49.4	0	0	0	113.9	L347	L347-H349 PolarHBondContact O-N 3.38Å
350	K	95.5	Very high	91.5	Very high	101 Å²	101	55.5 Å²	55.5	44%	0.439	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.7	-176.3	-164	-175.5	-164	-163	0	110.9	E165 L346 L347	E165-K350 IonicContact OE1-NZ 3.83Å; E165-K350 PolarHBondContact OE1-NZ 3.44Å; E165-K350 WeakPolarHBondContact OE2-CD 3.23Å; E165-K350 WeakPolarHBondContact OE2-CE 3.23Å; E165-K350 IonicContact OE2-NZ 3.39Å; E165-K350 PolarHBondContact OE2-NZ 2.78Å; L346-K350 CarbonylContact C-O 3.57Å; L346-K350 WeakPolarHBondContact CA-O 3.48Å; L347-K350 PolarHBondContact N-O 2.89Å; L347-K350 WeakPolarHBondContact O-CB 3.09Å; L347-K350 PolarHBondContact O-N 3.02Å
351	R	96.8	Very high	90.8	Very high	160 Å²	160	57 Å²	57	60%	0.604	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.7	178.2	-178.1	177.2	179.8	-139.9	-1.7	111.2	I344 L346 V353	I344-R351 HydrophobicContact CG2-CG 4.02Å; L346-R351 HydrophobicContact CD2-CB 3.74Å; L346-R351 HydrophobicContact CD2-CG 3.72Å; R351-V353 HydrophobicContact CG-CG2 4.11Å
352	I	97.1	Very high	89.7	Confident	6 Å²	6	60.7 Å²	60.7	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.7	178.1	-51.3	178.5	0	0	0	108.1	R164 E165 M167 I344 V345 F354	R164-I352 HydrophobicContact CB-CG2 4.07Å; E165-I352 HydrophobicContact CB-CD1 4.23Å; E165-I352 WeakPolarHBondContact OE2-CD1 3.38Å; E165-I352 VanDerWaalsContact OE2-CG1 3.3Å; E165-I352 WeakPolarHBondContact OE2-CG1 3.41Å; M167-I352 HydrophobicContact CE-CD1 3.65Å; M167-I352 HydrophobicContact CG-CD1 4.39Å; M167-I352 HydrophobicContact SD-CD1 3.64Å; I344-I352 CarbonylContact C-O 3.45Å; I344-I352 WeakPolarHBondContact CA-O 3.3Å; V345-I352 HydrophobicContact CB-CB 4.35Å; V345-I352 PolarHBondContact N-O 3.06Å; V345-I352 PolarHBondContact O-N 2.82Å; I352-F354 HydrophobicContact CG2-CE2 4.16Å; I352-F354 HydrophobicContact CG2-CZ 4.22Å
353	V	96.3	Very high	88.7	Confident	32 Å²	32	63.1 Å²	63.1	19%	0.194	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131	-174.3	-175.1	0	0	0	0	110.3	V341 I344 R351 E355	V341-V353 HydrophobicContact CB-CG1 4.2Å; V341-V353 HydrophobicContact CG1-CG1 3.57Å; I344-V353 HydrophobicContact CG1-CG1 4.33Å; I344-V353 HydrophobicContact CG1-CG2 4.38Å; I344-V353 HydrophobicContact CG2-CG2 4.43Å; R351-V353 HydrophobicContact CG-CG2 4.11Å; V353-E355 HydrophobicContact CG1-CG 3.89Å
354	F	95.9	Very high	87.7	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	99.8	172.8	-62	-82.8	0	0	0	108.7	I162 R164 M167 F169 L192 F342 A343 V345 I352	I162-F354 HydrophobicContact CB-CD1 3.97Å; I162-F354 HydrophobicContact CD1-CB 4.44Å; I162-F354 HydrophobicContact CG2-CD1 3.8Å; I162-F354 HydrophobicContact CG2-CE1 4.34Å; R164-F354 HydrophobicContact CB-CD1 4.44Å; R164-F354 HydrophobicContact CB-CE1 3.88Å; R164-F354 HydrophobicContact CB-CZ 4.38Å; R164-F354 HydrophobicContact CG-CD1 4.29Å; R164-F354 HydrophobicContact CG-CE1 4.2Å; M167-F354 HydrophobicContact CB-CZ 3.93Å; F169-F354 HydrophobicContact CB-CB 4.35Å; F169-F354 HydrophobicContact CB-CD1 3.36Å; F169-F354 HydrophobicContact CB-CD2 4.12Å; F169-F354 HydrophobicContact CB-CE1 3.5Å; F169-F354 VanDerWaalsContact CB-CE1 3.5Å; F169-F354 HydrophobicContact CB-CE2 4.25Å; F169-F354 HydrophobicContact CB-CG 3.67Å; F169-F354 HydrophobicContact CB-CZ 3.95Å; F169-F354 HydrophobicContact CD1-CB 4.2Å; F169-F354 HydrophobicContact CD1-CG 4.44Å; F169-F354 HydrophobicContact CG-CB 4.28Å; F169-F354 HydrophobicContact CG-CD1 4.19Å; F169-F354 HydrophobicContact CG-CG 4.08Å; L192-F354 HydrophobicContact CD1-CD2 4.38Å; L192-F354 HydrophobicContact CD1-CE2 3.64Å; L192-F354 HydrophobicContact CD1-CZ 3.88Å; F342-F354 HydrophobicContact CB-CB 4.48Å; F342-F354 PolarHBondContact N-O 3.24Å; A343-F354 HydrophobicContact CB-CB 4.44Å; A343-F354 HydrophobicContact CB-CD2 4.08Å; A343-F354 PolarHBondContact O-N 3.31Å; V345-F354 HydrophobicContact CG2-CE2 3.94Å; I352-F354 HydrophobicContact CG2-CE2 4.16Å; I352-F354 HydrophobicContact CG2-CZ 4.22Å
355	E	92.8	Very high	87	Confident	91 Å²	91	71.6 Å²	71.6	43%	0.425	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	148.6	-173.8	-62.4	176.9	153	0	0	112.4	V341 V353 A357 A358	V341-E355 HydrophobicContact CG1-CG 4.43Å; V353-E355 HydrophobicContact CG1-CG 3.89Å; E355-A357 VanDerWaalsContact C-N 3.25Å; E355-A357 PolarHBondContact O-N 2.89Å; E355-A358 PolarHBondContact O-N 3.48Å
356	R	88.1	Confident	86.6	Confident	74 Å²	74	77.8 Å²	77.8	28%	0.279	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-68.5	-23.5	175.1	-70.7	-172.5	176.1	-152	-4.7	113.2	G334 T337 P340 F342 A358 A359	G334-R356 PolarHBondContact O-NH2 2.97Å; T337-R356 PolarHBondContact OG1-NE 2.65Å; T337-R356 PolarHBondContact OG1-NH1 3.4Å; T337-R356 PolarHBondContact OG1-NH2 3.33Å; T337-R356 VanDerWaalsContact OG1-NH2 3.11Å; P340-R356 PolarHBondContact O-N 2.81Å; F342-R356 HydrophobicContact CD1-CG 4.04Å; F342-R356 HydrophobicContact CD2-CG 4.02Å; F342-R356 HydrophobicContact CE1-CG 3.94Å; F342-R356 HydrophobicContact CE2-CB 4.18Å; F342-R356 HydrophobicContact CE2-CG 3.93Å; F342-R356 HydrophobicContact CG-CG 4.08Å; F342-R356 HydrophobicContact CZ-CB 4.34Å; F342-R356 HydrophobicContact CZ-CG 3.88Å; R356-A358 PolarHBondContact O-N 3.25Å; R356-A359 WeakPolarHBondContact O-CB 3.08Å; R356-A359 PolarHBondContact O-N 2.96Å
357	A	80.3	Confident	86.3	Confident	100 Å²	100	78.4 Å²	78.4	83%	0.826	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-64	-21.7	176.6	0	0	0	0	0	113.2	E355 A359	E355-A357 VanDerWaalsContact C-N 3.25Å; E355-A357 PolarHBondContact O-N 2.89Å; A357-A359 VanDerWaalsContact C-N 3.32Å
358	A	76.5	Confident	86.2	Confident	43 Å²	43	80.6 Å²	80.6	36%	0.355	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-93.4	14.3	175.1	0	0	0	0	0	112.8	I162 E355 R356	I162-A358 HydrophobicContact CD1-CB 3.91Å; I162-A358 HydrophobicContact CG1-CB 4.16Å; E355-A358 PolarHBondContact O-N 3.48Å; R356-A358 PolarHBondContact O-N 3.25Å
359	A	79.1	Confident	86.2	Confident	32 Å²	32	85.4 Å²	85.4	26%	0.264	46%	0.457	S	S	.	.	S	Bend	trans	-63.6	159.4	174.9	0	0	0	0	0	111.7	F342 R356 A357 V361	F342-A359 HydrophobicContact CE2-CB 3.92Å; F342-A359 HydrophobicContact CZ-CB 3.91Å; R356-A359 WeakPolarHBondContact O-CB 3.08Å; R356-A359 PolarHBondContact O-N 2.96Å; A357-A359 VanDerWaalsContact C-N 3.32Å; A359-V361 PolarHBondContact O-N 2.7Å
360	V	78.6	Confident	86.3	Confident	40 Å²	40	81.3 Å²	81.3	24%	0.242	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-67.5	130	174.7	175.4	0	0	0	0	108.8	Y26 V158 E159	Y26-V360 HydrophobicContact CD1-CG1 4.02Å; Y26-V360 HydrophobicContact CD1-CG2 4.07Å; Y26-V360 HydrophobicContact CE1-CB 4.3Å; Y26-V360 HydrophobicContact CE1-CG1 3.3Å; Y26-V360 HydrophobicContact CE1-CG2 3.99Å; V158-V360 HydrophobicContact CG1-CG2 4.26Å; E159-V360 PolarHBondContact O-N 3.5Å
361	V	73.7	Confident	86.3	Confident	129 Å²	129	77.9 Å²	77.9	78%	0.782	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-96.3	125.8	174.9	-178	0	0	0	0	108.9	A359 S363	A359-V361 PolarHBondContact O-N 2.7Å; V361-S363 PolarHBondContact O-N 3.02Å
362	D	68.6	Low	86.2	Confident	92 Å²	92	71.5 Å²	71.5	49%	0.492	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-70.7	120.1	173.2	-80.8	-28.9	0	0	0	110.4
363	S	74.8	Confident	86.1	Confident	62 Å²	62	75.1 Å²	75.1	43%	0.434	42%	0.423	S	S	.	.			trans	-105.8	133	169.9	65.4	0	0	0	0	109.8	R58 V361 P365	R58-S363 PolarHBondContact NH1-O 2.89Å; R58-S363 PolarHBondContact NH1-OG 2.88Å; R58-S363 VanDerWaalsContact NH1-OG 3.12Å; V361-S363 PolarHBondContact O-N 3.02Å; S363-P365 VanDerWaalsContact O-CD 3.3Å; S363-P365 WeakPolarHBondContact O-CD 3.38Å
364	F	74.3	Confident	86	Confident	143 Å²	143	76.9 Å²	76.9	63%	0.627	43%	0.434	S	S	*	.			trans	-95.3	108.7	175.3	-66	-82.9	0	0	0	110	V366	F364-V366 PolarHBondContact O-N 3.18Å
365	P	82.1	Confident	85.9	Confident	53 Å²	53	81.2 Å²	81.2	34%	0.344	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-64.3	132.8	175.1	24.9	-31.2	0	0	0	110	K68 S363	K68-P365 PolarHBondContact NZ-O 3.09Å; S363-P365 VanDerWaalsContact O-CD 3.3Å; S363-P365 WeakPolarHBondContact O-CD 3.38Å
366	V	89.8	Confident	85.9	Confident	129 Å²	129	81.4 Å²	81.4	78%	0.782	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-74.6	148.8	179	-171.7	0	0	0	0	109.5	F364	F364-V366 PolarHBondContact O-N 3.18Å
367	E	92.3	Very high	86.2	Confident	64 Å²	64	82.3 Å²	82.3	30%	0.299	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-62.1	139.1	171.3	-173.2	169.8	152	0	0	110.3	K68 Y69 E369 Y371	K68-E367 VanDerWaalsContact CA-OE2 3.25Å; K68-E367 WeakPolarHBondContact CA-OE2 3.46Å; K68-E367 HydrophobicContact CB-CG 4.41Å; K68-E367 VanDerWaalsContact CB-OE2 3.27Å; K68-E367 WeakPolarHBondContact CB-OE2 3.48Å; K68-E367 HydrophobicContact CD-CB 4.46Å; Y69-E367 HydrophobicContact CD1-CG 4.04Å; Y69-E367 HydrophobicContact CE1-CG 3.73Å; Y69-E367 HydrophobicContact CE2-CG 4.23Å; Y69-E367 HydrophobicContact CG-CG 4.41Å; Y69-E367 VanDerWaalsContact N-CD 3.33Å; Y69-E367 PolarHBondContact N-OE1 3.02Å; Y69-E367 VanDerWaalsContact N-OE1 3.09Å; Y69-E367 PolarHBondContact N-OE2 3.18Å; E367-E369 PolarHBondContact O-N 2.92Å; E367-Y371 WeakPolarHBondContact OE1-CE1 3.38Å
368	V	94.6	Very high	86.8	Confident	81 Å²	81	82 Å²	82	49%	0.491	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-64.5	123.9	178.1	174.6	0	0	0	0	109.4	Y69 Y371	Y69-V368 HydrophobicContact CE1-CB 4.18Å; Y69-V368 WeakPolarHBondContact OH-CG2 3.45Å; Y69-V368 PolarHBondContact OH-N 2.96Å; Y69-V368 VanDerWaalsContact OH-N 3.15Å; V368-Y371 WeakPolarHBondContact O-CD1 3.44Å
369	E	93.2	Very high	87.7	Confident	166 Å²	166	84.5 Å²	84.5	78%	0.776	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	138.9	178.1	-64.9	-175.2	173.8	0	0	111.2	E367 Y371	E367-E369 PolarHBondContact O-N 2.92Å; E369-Y371 PolarHBondContact O-N 2.91Å; E369-Y371 VanDerWaalsContact O-N 3.1Å
370	E	93.1	Very high	88.3	Confident	109 Å²	109	86.7 Å²	86.7	51%	0.509	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	32.8	177.3	-56.7	-169.6	-167.6	0	0	114.6	A372 N373 V374	E370-A372 PolarHBondContact O-N 3.15Å; E370-N373 HydrophobicContact CB-CB 4.17Å; E370-N373 WeakPolarHBondContact O-CB 3.34Å; E370-N373 PolarHBondContact O-N 3.37Å; E370-N373 PolarHBondContact OE2-ND2 3.02Å; E370-V374 PolarHBondContact O-N 2.86Å
371	Y	95.1	Very high	89	Confident	29 Å²	29	91 Å²	91	11%	0.114	48%	0.48	C	S	.	.	H	α-helix	trans	-49.1	-35.2	-177	61.9	-93.9	0	0	0	114.5	Y69 K70 E71 W72 E367 V368 E369 M375	Y69-Y371 AromaticContact CD1-CD1 3.64Å; Y69-Y371 HydrophobicContact CD1-CD1 3.64Å; Y69-Y371 AromaticContact CD1-CD2 3.83Å; Y69-Y371 HydrophobicContact CD1-CD2 3.83Å; Y69-Y371 HydrophobicContact CD1-CE1 4.01Å; Y69-Y371 HydrophobicContact CD1-CE2 4.17Å; Y69-Y371 AromaticContact CD1-CG 3.55Å; Y69-Y371 HydrophobicContact CD1-CG 3.55Å; Y69-Y371 AromaticContact CE1-CD1 3.99Å; Y69-Y371 HydrophobicContact CE1-CD1 3.99Å; Y69-Y371 AromaticContact CE1-CG 3.91Å; Y69-Y371 HydrophobicContact CE1-CG 3.91Å; K70-Y371 PolarHBondContact N-OH 3.33Å; E71-Y371 HydrophobicContact CB-CE2 4.16Å; E71-Y371 WeakPolarHBondContact CG-OH 3.35Å; E71-Y371 PolarHBondContact N-OH 3.24Å; W72-Y371 HydrophobicContact CD2-CD2 4.01Å; W72-Y371 HydrophobicContact CD2-CE2 4.03Å; W72-Y371 AromaticContact CE2-CD2 3.81Å; W72-Y371 AromaticContact CE2-CE2 3.95Å; W72-Y371 AromaticContact CE3-CD2 3.95Å; W72-Y371 HydrophobicContact CE3-CD2 3.95Å; W72-Y371 HydrophobicContact CE3-CE2 4.31Å; W72-Y371 HydrophobicContact CG-CE2 4.49Å; W72-Y371 AromaticContact CH2-CD2 3.59Å; W72-Y371 HydrophobicContact CH2-CD2 3.59Å; W72-Y371 HydrophobicContact CH2-CG 4.39Å; W72-Y371 WeakPolarHBondContact CH2-O 3.2Å; W72-Y371 AromaticContact CZ2-CD2 3.65Å; W72-Y371 HydrophobicContact CZ2-CD2 3.65Å; W72-Y371 HydrophobicContact CZ2-CE2 4.24Å; W72-Y371 AromaticContact CZ3-CD2 3.74Å; W72-Y371 HydrophobicContact CZ3-CD2 3.74Å; E367-Y371 WeakPolarHBondContact OE1-CE1 3.38Å; V368-Y371 WeakPolarHBondContact O-CD1 3.44Å; E369-Y371 PolarHBondContact O-N 2.91Å; E369-Y371 VanDerWaalsContact O-N 3.1Å; Y371-M375 PolarHBondContact O-N 2.95Å
372	A	94.3	Very high	90	Very high	26 Å²	26	88.5 Å²	88.5	22%	0.215	47%	0.465	C	S	.	.	H	α-helix	trans	-67.3	-43	175.8	0	0	0	0	0	112.8	E71 E370 M375 E376	E71-A372 VanDerWaalsContact OE2-CB 3.29Å; E71-A372 WeakPolarHBondContact OE2-CB 3.46Å; E370-A372 PolarHBondContact O-N 3.15Å; A372-M375 PolarHBondContact O-N 3.09Å; A372-E376 PolarHBondContact O-N 3.01Å
373	N	93.9	Very high	91.1	Very high	82 Å²	82	88.8 Å²	88.8	44%	0.439	46%	0.462	S	S	.	.	H	α-helix	trans	-67.5	-38.6	178.1	-63.8	-19.8	0	0	0	111	E370 M375 E376 D377	E370-N373 HydrophobicContact CB-CB 4.17Å; E370-N373 WeakPolarHBondContact O-CB 3.34Å; E370-N373 PolarHBondContact O-N 3.37Å; E370-N373 PolarHBondContact OE2-ND2 3.02Å; N373-M375 VanDerWaalsContact C-N 3.26Å; N373-M375 PolarHBondContact O-N 2.89Å; N373-E376 PolarHBondContact O-N 3.39Å; N373-D377 WeakPolarHBondContact O-CB 3.42Å; N373-D377 PolarHBondContact O-N 2.92Å
374	V	94.7	Very high	92	Very high	70 Å²	70	89.1 Å²	89.1	42%	0.424	46%	0.462	S	S	.	.	H	α-helix	trans	-58.1	-41.6	176.1	175.3	0	0	0	0	111	E370 N378	E370-V374 PolarHBondContact O-N 2.86Å; V374-N378 WeakPolarHBondContact O-CB 3.46Å; V374-N378 PolarHBondContact O-N 2.97Å; V374-N378 PolarHBondContact O-ND2 2.7Å; V374-N378 VanDerWaalsContact O-ND2 3.07Å
375	M	94	Very high	93	Very high	90 Å²	90	86 Å²	86	44%	0.443	46%	0.455	S	S	.	.	H	α-helix	trans	-68.1	-44.9	175.1	-78.6	-59.4	-59.9	0	0	112.3	W72 Y371 A372 N373 D377 N378 L379	W72-M375 HydrophobicContact CH2-CB 4.24Å; W72-M375 HydrophobicContact CH2-CG 3.38Å; W72-M375 HydrophobicContact CZ2-CB 4.1Å; W72-M375 HydrophobicContact CZ2-CG 3.69Å; W72-M375 HydrophobicContact CZ3-CG 4.46Å; Y371-M375 PolarHBondContact O-N 2.95Å; A372-M375 PolarHBondContact O-N 3.09Å; N373-M375 VanDerWaalsContact C-N 3.26Å; N373-M375 PolarHBondContact O-N 2.89Å; M375-D377 PolarHBondContact O-N 3.18Å; M375-N378 PolarHBondContact O-N 2.87Å; M375-L379 WeakPolarHBondContact O-CG 3.43Å; M375-L379 PolarHBondContact O-N 2.68Å
376	E	93.9	Very high	93.5	Very high	95 Å²	95	88.9 Å²	88.9	44%	0.444	46%	0.462	S	S	.	.	H	α-helix	trans	-59.7	-46.8	178.7	-172.7	56	-143	0	0	111.4	A372 N373 N378 L379 Q380	A372-E376 PolarHBondContact O-N 3.01Å; N373-E376 PolarHBondContact O-N 3.39Å; E376-N378 VanDerWaalsContact C-N 3.32Å; E376-N378 PolarHBondContact O-N 2.79Å; E376-L379 WeakPolarHBondContact O-CB 3.48Å; E376-L379 PolarHBondContact O-N 3.17Å; E376-L379 VanDerWaalsContact O-N 3.12Å; E376-Q380 WeakPolarHBondContact O-CG 3.5Å; E376-Q380 PolarHBondContact O-N 3.43Å; E376-Q380 VanDerWaalsContact O-N 3.12Å; E376-Q380 PolarHBondContact OE1-NE2 3.23Å
377	D	93.5	Very high	93.6	Very high	94 Å²	94	86.1 Å²	86.1	50%	0.503	44%	0.441	S	S	.	.	H	α-helix	trans	-58.6	-43.5	176.8	-76.1	-14.2	0	0	0	111.4	N373 M375 L379 Q380 H381	N373-D377 WeakPolarHBondContact O-CB 3.42Å; N373-D377 PolarHBondContact O-N 2.92Å; M375-D377 PolarHBondContact O-N 3.18Å; D377-L379 PolarHBondContact O-N 3.08Å; D377-Q380 PolarHBondContact O-N 3.02Å; D377-H381 PolarHBondContact O-CE1 2.8Å; D377-H381 VanDerWaalsContact O-CE1 3.31Å; D377-H381 PolarHBondContact O-ND1 3.33Å
378	N	93.9	Very high	93.7	Very high	92 Å²	92	88.3 Å²	88.3	49%	0.492	45%	0.451	S	S	.	.	H	α-helix	trans	-63.8	-38.9	176.3	-77.7	-34.8	0	0	0	112.4	V374 M375 E376 Q380 H381	V374-N378 WeakPolarHBondContact O-CB 3.46Å; V374-N378 PolarHBondContact O-N 2.97Å; V374-N378 PolarHBondContact O-ND2 2.7Å; V374-N378 VanDerWaalsContact O-ND2 3.07Å; M375-N378 PolarHBondContact O-N 2.87Å; E376-N378 VanDerWaalsContact C-N 3.32Å; E376-N378 PolarHBondContact O-N 2.79Å; N378-Q380 VanDerWaalsContact C-N 3.29Å; N378-Q380 PolarHBondContact O-N 3.02Å; N378-H381 WeakPolarHBondContact O-CB 3.46Å; N378-H381 PolarHBondContact O-N 3.24Å
379	L	93.8	Very high	93.5	Very high	97 Å²	97	89.3 Å²	89.3	51%	0.508	45%	0.451	S	S	.	.	H	α-helix	trans	-65	-31.6	177	-70.2	173.1	0	0	0	112.5	M375 E376 D377 H381 V382	M375-L379 WeakPolarHBondContact O-CG 3.43Å; M375-L379 PolarHBondContact O-N 2.68Å; E376-L379 WeakPolarHBondContact O-CB 3.48Å; E376-L379 PolarHBondContact O-N 3.17Å; E376-L379 VanDerWaalsContact O-N 3.12Å; D377-L379 PolarHBondContact O-N 3.08Å; L379-H381 PolarHBondContact O-N 2.86Å; L379-V382 PolarHBondContact O-N 3.49Å
380	Q	93.2	Very high	93.3	Very high	77 Å²	77	84.1 Å²	84.1	36%	0.36	43%	0.427	S	S	.	.	H	α-helix	trans	-64.6	-23.8	177	-61.3	-60.2	-38.7	0	0	113.2	E376 D377 N378 V382 K383 P384	E376-Q380 WeakPolarHBondContact O-CG 3.5Å; E376-Q380 PolarHBondContact O-N 3.43Å; E376-Q380 VanDerWaalsContact O-N 3.12Å; E376-Q380 PolarHBondContact OE1-NE2 3.23Å; D377-Q380 PolarHBondContact O-N 3.02Å; N378-Q380 VanDerWaalsContact C-N 3.29Å; N378-Q380 PolarHBondContact O-N 3.02Å; Q380-V382 PolarHBondContact O-N 3.11Å; Q380-K383 VanDerWaalsContact CD-NZ 3.35Å; Q380-K383 PolarHBondContact O-N 3.23Å; Q380-P384 WeakPolarHBondContact O-CD 3.45Å
381	H	93.4	Very high	93.1	Very high	131 Å²	131	86.3 Å²	86.3	61%	0.606	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.7	-179.9	-68.9	80.3	0	0	0	113.3	D377 N378 L379 P384	D377-H381 PolarHBondContact O-CE1 2.8Å; D377-H381 VanDerWaalsContact O-CE1 3.31Å; D377-H381 PolarHBondContact O-ND1 3.33Å; N378-H381 WeakPolarHBondContact O-CB 3.46Å; N378-H381 PolarHBondContact O-N 3.24Å; L379-H381 PolarHBondContact O-N 2.86Å; H381-P384 WeakPolarHBondContact O-CD 3.48Å; H381-P384 WeakPolarHBondContact O-CG 3.34Å
382	V	93.3	Very high	92.8	Very high	76 Å²	76	90.3 Å²	90.3	46%	0.461	45%	0.45	S	S	.	.	H	α-helix	trans	-78.3	-36	-178.4	-180	0	0	0	0	111.3	L379 Q380 V385 F386	L379-V382 PolarHBondContact O-N 3.49Å; Q380-V382 PolarHBondContact O-N 3.11Å; V382-V385 WeakPolarHBondContact O-CB 3.49Å; V382-V385 PolarHBondContact O-N 3.14Å; V382-V385 VanDerWaalsContact O-N 3.13Å; V382-F386 HydrophobicContact CG1-CD2 3.52Å; V382-F386 HydrophobicContact CG1-CE2 3.35Å; V382-F386 WeakPolarHBondContact O-CD2 3.4Å; V382-F386 PolarHBondContact O-N 3.24Å
383	K	91.9	Very high	92.3	Very high	99 Å²	99	93.6 Å²	93.6	43%	0.43	46%	0.464	S	S	.	.	H	α-helix	trans	-51.9	-50.9	-177.8	-65.4	-177.1	-176.8	172.1	0	114.7	Q380 V385 F386 Q387	Q380-K383 VanDerWaalsContact CD-NZ 3.35Å; Q380-K383 PolarHBondContact O-N 3.23Å; K383-V385 VanDerWaalsContact C-N 3.25Å; K383-V385 PolarHBondContact O-N 2.69Å; K383-F386 PolarHBondContact O-N 3.33Å; K383-Q387 WeakPolarHBondContact O-CG 3.39Å; K383-Q387 PolarHBondContact O-N 3.43Å
384	P	94.9	Very high	91.6	Very high	68 Å²	68	93.2 Å²	93.2	44%	0.442	46%	0.461	S	S	.	.	H	α-helix	trans	-64.2	-29.9	-178.6	24.8	-35	0	0	0	112.9	Q380 H381 Q387 Q388	Q380-P384 WeakPolarHBondContact O-CD 3.45Å; H381-P384 WeakPolarHBondContact O-CD 3.48Å; H381-P384 WeakPolarHBondContact O-CG 3.34Å; P384-Q387 PolarHBondContact O-N 2.76Å; P384-Q388 VanDerWaalsContact O-CB 3.28Å; P384-Q388 WeakPolarHBondContact O-CB 3.3Å; P384-Q388 PolarHBondContact O-N 2.73Å
385	V	94.3	Very high	90.9	Very high	77 Å²	77	91.3 Å²	91.3	47%	0.467	46%	0.455	S	S	.	.	H	α-helix	trans	-63.6	-48.3	176.6	-179.1	0	0	0	0	110.1	V382 K383 Q388 M389	V382-V385 WeakPolarHBondContact O-CB 3.49Å; V382-V385 PolarHBondContact O-N 3.14Å; V382-V385 VanDerWaalsContact O-N 3.13Å; K383-V385 VanDerWaalsContact C-N 3.25Å; K383-V385 PolarHBondContact O-N 2.69Å; V385-Q388 PolarHBondContact O-N 2.94Å; V385-M389 HydrophobicContact CG1-SD 4.46Å; V385-M389 WeakPolarHBondContact O-CG 3.4Å; V385-M389 PolarHBondContact O-N 3.48Å
386	F	93.2	Very high	90.2	Very high	115 Å²	115	96.5 Å²	96.5	50%	0.504	47%	0.47	S	S	.	.	H	α-helix	trans	-65.4	-42.6	177.8	-81.5	-96.6	0	0	0	111.9	V382 K383 Q388 M389 E390 F456	V382-F386 HydrophobicContact CG1-CD2 3.52Å; V382-F386 HydrophobicContact CG1-CE2 3.35Å; V382-F386 WeakPolarHBondContact O-CD2 3.4Å; V382-F386 PolarHBondContact O-N 3.24Å; K383-F386 PolarHBondContact O-N 3.33Å; F386-Q388 VanDerWaalsContact C-N 3.3Å; F386-Q388 PolarHBondContact O-N 2.97Å; F386-M389 PolarHBondContact O-N 2.86Å; F386-E390 WeakPolarHBondContact O-CB 2.9Å; F386-E390 PolarHBondContact O-N 3.06Å; F386-F456 HydrophobicContact CB-CZ 4.18Å
387	Q	91.7	Very high	89.3	Confident	70 Å²	70	94.6 Å²	94.6	33%	0.327	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-38.1	175.8	-70.9	177.6	-5.4	0	0	112.3	K383 P384 R391 F456	K383-Q387 WeakPolarHBondContact O-CG 3.39Å; K383-Q387 PolarHBondContact O-N 3.43Å; P384-Q387 PolarHBondContact O-N 2.76Å; Q387-R391 VanDerWaalsContact O-CG 3.26Å; Q387-R391 WeakPolarHBondContact O-CG 3.1Å; Q387-R391 PolarHBondContact O-N 2.73Å; Q387-F456 HydrophobicContact CG-CE2 4.25Å
388	Q	93.3	Very high	87.9	Confident	110 Å²	110	94.7 Å²	94.7	51%	0.514	47%	0.465	S	S	.	.	H	α-helix	trans	-67.6	-44	176.2	-176.1	-179.1	-2.2	0	0	111.3	P384 V385 F386 E390 R391 H392	P384-Q388 VanDerWaalsContact O-CB 3.28Å; P384-Q388 WeakPolarHBondContact O-CB 3.3Å; P384-Q388 PolarHBondContact O-N 2.73Å; V385-Q388 PolarHBondContact O-N 2.94Å; F386-Q388 VanDerWaalsContact C-N 3.3Å; F386-Q388 PolarHBondContact O-N 2.97Å; Q388-E390 VanDerWaalsContact C-N 3.34Å; Q388-E390 PolarHBondContact O-N 2.69Å; Q388-R391 PolarHBondContact O-N 3.37Å; Q388-H392 PolarHBondContact NE2-NE2 3.25Å; Q388-H392 PolarHBondContact O-CD2 3.21Å; Q388-H392 VanDerWaalsContact O-CD2 3.23Å; Q388-H392 PolarHBondContact O-N 2.81Å
389	M	90.2	Very high	86.4	Confident	102 Å²	102	95.9 Å²	95.9	50%	0.502	47%	0.471	S	S	.	.	H	α-helix	trans	-59.7	-45.2	175.3	-75.5	-180	60.4	0	0	111.4	V385 F386 H392 I393	V385-M389 HydrophobicContact CG1-SD 4.46Å; V385-M389 WeakPolarHBondContact O-CG 3.4Å; V385-M389 PolarHBondContact O-N 3.48Å; F386-M389 PolarHBondContact O-N 2.86Å; M389-H392 PolarHBondContact O-N 3.11Å; M389-I393 VanDerWaalsContact O-CG1 3.26Å; M389-I393 WeakPolarHBondContact O-CG1 3.39Å; M389-I393 PolarHBondContact O-N 3.14Å
390	E	90.1	Very high	85.1	Confident	58 Å²	58	94.2 Å²	94.2	27%	0.271	47%	0.465	S	S	.	.	H	α-helix	trans	-58.1	-51	176.7	-174.4	-172.6	174.5	0	0	111.4	F386 Q388 H392 I393 L394	F386-E390 WeakPolarHBondContact O-CB 2.9Å; F386-E390 PolarHBondContact O-N 3.06Å; Q388-E390 VanDerWaalsContact C-N 3.34Å; Q388-E390 PolarHBondContact O-N 2.69Å; E390-H392 VanDerWaalsContact C-N 3.28Å; E390-H392 PolarHBondContact O-N 3.45Å; E390-I393 PolarHBondContact O-N 2.99Å; E390-L394 HydrophobicContact CG-CD1 3.89Å; E390-L394 HydrophobicContact CG-CG 4.37Å; E390-L394 WeakPolarHBondContact O-CB 3.19Å; E390-L394 WeakPolarHBondContact O-CG 3.43Å; E390-L394 PolarHBondContact O-N 3.25Å
391	R	88.9	Confident	83.4	Confident	154 Å²	154	93.8 Å²	93.8	58%	0.581	48%	0.475	S	S	*	.	H	α-helix	trans	-58.6	-39.7	177	-71.5	173.4	-165.6	160.5	6.2	112.1	Q387 Q388 G395	Q387-R391 VanDerWaalsContact O-CG 3.26Å; Q387-R391 WeakPolarHBondContact O-CG 3.1Å; Q387-R391 PolarHBondContact O-N 2.73Å; Q388-R391 PolarHBondContact O-N 3.37Å; R391-G395 WeakPolarHBondContact O-CA 3.33Å; R391-G395 PolarHBondContact O-N 3.03Å
392	H	87.7	Confident	81.8	Confident	113 Å²	113	91 Å²	91	52%	0.523	47%	0.47	S	S	.	.	H	α-helix	trans	-67.4	-41.8	176.7	-82.7	-56.3	0	0	0	112.7	Q388 M389 E390 R396	Q388-H392 PolarHBondContact NE2-NE2 3.25Å; Q388-H392 PolarHBondContact O-CD2 3.21Å; Q388-H392 VanDerWaalsContact O-CD2 3.23Å; Q388-H392 PolarHBondContact O-N 2.81Å; M389-H392 PolarHBondContact O-N 3.11Å; E390-H392 VanDerWaalsContact C-N 3.28Å; E390-H392 PolarHBondContact O-N 3.45Å; H392-R396 WeakPolarHBondContact O-CG 3.37Å; H392-R396 PolarHBondContact O-N 3.33Å
393	I	85	Confident	80.3	Confident	96 Å²	96	92.1 Å²	92.1	49%	0.492	47%	0.469	S	S	.	.	H	α-helix	trans	-66.4	-51.7	178.5	-68.2	165	0	0	0	109.8	M389 E390 G395 R396 V397	M389-I393 VanDerWaalsContact O-CG1 3.26Å; M389-I393 WeakPolarHBondContact O-CG1 3.39Å; M389-I393 PolarHBondContact O-N 3.14Å; E390-I393 PolarHBondContact O-N 2.99Å; I393-G395 VanDerWaalsContact C-N 3.3Å; I393-G395 PolarHBondContact O-N 3.27Å; I393-R396 PolarHBondContact O-N 3.46Å; I393-V397 HydrophobicContact CG2-CG2 4.28Å; I393-V397 WeakPolarHBondContact O-CG2 3.32Å; I393-V397 PolarHBondContact O-N 2.91Å
394	L	79.6	Confident	78.6	Confident	73 Å²	73	94.5 Å²	94.5	38%	0.382	48%	0.475	S	S	.	.	H	α-helix	trans	-59	-42.5	176.9	-69.8	175.7	0	0	0	111.5	E390 R396 V397 L398	E390-L394 HydrophobicContact CG-CD1 3.89Å; E390-L394 HydrophobicContact CG-CG 4.37Å; E390-L394 WeakPolarHBondContact O-CB 3.19Å; E390-L394 WeakPolarHBondContact O-CG 3.43Å; E390-L394 PolarHBondContact O-N 3.25Å; L394-R396 VanDerWaalsContact C-N 3.28Å; L394-R396 PolarHBondContact O-N 3.35Å; L394-V397 PolarHBondContact O-N 2.73Å; L394-L398 VanDerWaalsContact O-CB 3.27Å; L394-L398 WeakPolarHBondContact O-CB 3.28Å; L394-L398 VanDerWaalsContact O-CG 3.24Å; L394-L398 WeakPolarHBondContact O-CG 3.43Å; L394-L398 PolarHBondContact O-N 2.9Å
395	G	79.9	Confident	76.8	Confident	30 Å²	30	100.1 Å²	100.1	31%	0.309	49%	0.488	S	S	.	.	H	α-helix	trans	-60.8	-33.5	175.3	0	0	0	0	0	113.5	R391 I393 N399	R391-G395 WeakPolarHBondContact O-CA 3.33Å; R391-G395 PolarHBondContact O-N 3.03Å; I393-G395 VanDerWaalsContact C-N 3.3Å; I393-G395 PolarHBondContact O-N 3.27Å; G395-N399 VanDerWaalsContact O-CB 3.31Å; G395-N399 WeakPolarHBondContact O-CB 3.35Å; G395-N399 VanDerWaalsContact O-CG 3.3Å; G395-N399 PolarHBondContact O-ND2 3.34Å
396	R	77.8	Confident	75	Confident	200 Å²	200	100.2 Å²	100.2	76%	0.755	49%	0.488	S	S	*	.	H	α-helix	trans	-76.1	-47.3	174.2	-74.9	179.9	179.1	-169.9	0.8	111.6	H392 I393 L394 N399 T400	H392-R396 WeakPolarHBondContact O-CG 3.37Å; H392-R396 PolarHBondContact O-N 3.33Å; I393-R396 PolarHBondContact O-N 3.46Å; L394-R396 VanDerWaalsContact C-N 3.28Å; L394-R396 PolarHBondContact O-N 3.35Å; R396-N399 PolarHBondContact O-N 3.22Å; R396-T400 PolarHBondContact O-N 3.08Å; R396-T400 VanDerWaalsContact O-N 3.17Å; R396-T400 PolarHBondContact O-OG1 2.98Å
397	V	76.6	Confident	73.1	Confident	55 Å²	55	96.4 Å²	96.4	33%	0.333	48%	0.478	S	S	.	.	H	α-helix	trans	-60.6	-48.7	-179	173.7	0	0	0	0	111.5	I393 L394 N399 T400 F403	I393-V397 HydrophobicContact CG2-CG2 4.28Å; I393-V397 WeakPolarHBondContact O-CG2 3.32Å; I393-V397 PolarHBondContact O-N 2.91Å; L394-V397 PolarHBondContact O-N 2.73Å; V397-N399 PolarHBondContact O-N 2.99Å; V397-T400 WeakPolarHBondContact CA-OG1 3.31Å; V397-T400 WeakPolarHBondContact O-CB 3.3Å; V397-T400 PolarHBondContact O-N 2.88Å; V397-T400 VanDerWaalsContact O-N 3.17Å; V397-T400 PolarHBondContact O-OG1 3.04Å; V397-F403 HydrophobicContact CG1-CD2 3.65Å; V397-F403 HydrophobicContact CG1-CE2 3.91Å; V397-F403 HydrophobicContact CG1-CG 4.01Å; V397-F403 HydrophobicContact CG1-CZ 4.48Å; V397-F403 VanDerWaalsContact O-CB 3.3Å; V397-F403 WeakPolarHBondContact O-CB 3.26Å
398	L	64.1	Low	71.3	Confident	95 Å²	95	99 Å²	99	50%	0.497	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-22.7	179.7	-67.8	169.6	0	0	0	113.7	L394 F403	L394-L398 VanDerWaalsContact O-CB 3.27Å; L394-L398 WeakPolarHBondContact O-CB 3.28Å; L394-L398 VanDerWaalsContact O-CG 3.24Å; L394-L398 WeakPolarHBondContact O-CG 3.43Å; L394-L398 PolarHBondContact O-N 2.9Å; L398-F403 HydrophobicContact CD2-CD1 4.34Å; L398-F403 HydrophobicContact CD2-CE1 4.15Å
399	N	61.8	Low	69.3	Low	117 Å²	117	99.2 Å²	99.2	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-93	-4.6	177	-76.1	-37.5	0	0	0	113.6	G395 R396 V397 A401	G395-N399 VanDerWaalsContact O-CB 3.31Å; G395-N399 WeakPolarHBondContact O-CB 3.35Å; G395-N399 VanDerWaalsContact O-CG 3.3Å; G395-N399 PolarHBondContact O-ND2 3.34Å; R396-N399 PolarHBondContact O-N 3.22Å; V397-N399 PolarHBondContact O-N 2.99Å; N399-A401 PolarHBondContact O-N 2.78Å
400	T	65.4	Low	67	Low	63 Å²	63	100 Å²	100	39%	0.387	50%	0.497	S	S	.	.			trans	-73.8	125.6	173.6	-12.9	0	0	0	0	109.9	R396 V397 S402 F403 R404	R396-T400 PolarHBondContact O-N 3.08Å; R396-T400 VanDerWaalsContact O-N 3.17Å; R396-T400 PolarHBondContact O-OG1 2.98Å; V397-T400 WeakPolarHBondContact CA-OG1 3.31Å; V397-T400 WeakPolarHBondContact O-CB 3.3Å; V397-T400 PolarHBondContact O-N 2.88Å; V397-T400 VanDerWaalsContact O-N 3.17Å; V397-T400 PolarHBondContact O-OG1 3.04Å; T400-S402 PolarHBondContact O-N 3.48Å; T400-S402 VanDerWaalsContact O-N 3.14Å; T400-F403 PolarHBondContact O-N 3.08Å; T400-R404 PolarHBondContact O-N 3.27Å
401	A	59.1	Low	64.9	Low	68 Å²	68	101.5 Å²	101.5	56%	0.562	51%	0.506	S	S	*	.	H	α-helix	trans	-59.1	-24.9	177.6	0	0	0	0	0	113	N399 R405	N399-A401 PolarHBondContact O-N 2.78Å; A401-R405 WeakPolarHBondContact O-CB 3.43Å; A401-R405 WeakPolarHBondContact O-CG 3.5Å; A401-R405 PolarHBondContact O-N 3.26Å
402	S	59.7	Low	62.9	Low	73 Å²	73	101.1 Å²	101.1	51%	0.51	51%	0.511	S	S	.	.	H	α-helix	trans	-66.7	-43	172.5	58	0	0	0	0	112.2	T400 R405 T406	T400-S402 PolarHBondContact O-N 3.48Å; T400-S402 VanDerWaalsContact O-N 3.14Å; S402-R405 PolarHBondContact O-N 2.83Å; S402-T406 WeakPolarHBondContact O-CB 3.28Å; S402-T406 PolarHBondContact O-N 2.96Å; S402-T406 PolarHBondContact O-OG1 3.12Å
403	F	60.5	Low	60.9	Low	99 Å²	99	103.8 Å²	103.8	43%	0.434	52%	0.522	S	S	.	.	H	α-helix	trans	-69.2	-37.8	178.8	-160.1	-91.3	0	0	0	111.6	V397 L398 T400 T406 A407	V397-F403 HydrophobicContact CG1-CD2 3.65Å; V397-F403 HydrophobicContact CG1-CE2 3.91Å; V397-F403 HydrophobicContact CG1-CG 4.01Å; V397-F403 HydrophobicContact CG1-CZ 4.48Å; V397-F403 VanDerWaalsContact O-CB 3.3Å; V397-F403 WeakPolarHBondContact O-CB 3.26Å; L398-F403 HydrophobicContact CD2-CD1 4.34Å; L398-F403 HydrophobicContact CD2-CE1 4.15Å; T400-F403 PolarHBondContact O-N 3.08Å; F403-T406 PolarHBondContact O-N 3.21Å; F403-A407 WeakPolarHBondContact O-CB 3.5Å; F403-A407 PolarHBondContact O-N 3.2Å
404	R	57.5	Low	58.9	Low	149 Å²	149	102.4 Å²	102.4	56%	0.562	52%	0.52	S	S	*	.	H	α-helix	trans	-60.1	-47.2	170.8	-78.7	-175.5	-179.8	162.8	2.4	111.9	T400 A407 E408	T400-R404 PolarHBondContact O-N 3.27Å; R404-A407 PolarHBondContact O-N 3.34Å; R404-E408 VanDerWaalsContact O-CB 3.31Å; R404-E408 WeakPolarHBondContact O-CB 3.39Å; R404-E408 VanDerWaalsContact O-CG 3.22Å; R404-E408 WeakPolarHBondContact O-CG 3.42Å; R404-E408 PolarHBondContact O-N 2.93Å
405	R	57.1	Low	57.4	Low	186 Å²	186	106 Å²	106	70%	0.702	54%	0.54	S	S	*	.	H	α-helix	trans	-64.5	-41.9	176.6	-79.1	-178.5	-178.3	172	1.2	112.8	A401 S402 E408 H409	A401-R405 WeakPolarHBondContact O-CB 3.43Å; A401-R405 WeakPolarHBondContact O-CG 3.5Å; A401-R405 PolarHBondContact O-N 3.26Å; S402-R405 PolarHBondContact O-N 2.83Å; R405-E408 PolarHBondContact O-N 2.68Å; R405-H409 WeakPolarHBondContact O-CB 3.39Å; R405-H409 PolarHBondContact O-N 3.49Å
406	T	55.1	Low	55.9	Low	78 Å²	78	113 Å²	113	48%	0.479	56%	0.562	S	S	.	*	H	α-helix	trans	-71	-37.4	179.3	-54.8	0	0	0	0	111.8	S402 F403 H409 L410	S402-T406 WeakPolarHBondContact O-CB 3.28Å; S402-T406 PolarHBondContact O-N 2.96Å; S402-T406 PolarHBondContact O-OG1 3.12Å; F403-T406 PolarHBondContact O-N 3.21Å; T406-H409 PolarHBondContact O-N 3.08Å; T406-L410 HydrophobicContact CG2-CD1 4.13Å; T406-L410 WeakPolarHBondContact O-CB 3.4Å; T406-L410 WeakPolarHBondContact O-CG 3.3Å; T406-L410 PolarHBondContact O-N 3.11Å
407	A	54.4	Low	54.5	Low	36 Å²	36	112.4 Å²	112.4	30%	0.298	57%	0.565	S	S	.	*	H	α-helix	trans	-67.3	-41	172.8	0	0	0	0	0	111.6	F403 R404 H409 L410 L411	F403-A407 WeakPolarHBondContact O-CB 3.5Å; F403-A407 PolarHBondContact O-N 3.2Å; R404-A407 PolarHBondContact O-N 3.34Å; A407-H409 VanDerWaalsContact C-N 3.32Å; A407-H409 PolarHBondContact O-N 3.12Å; A407-L410 PolarHBondContact O-N 3.41Å; A407-L411 VanDerWaalsContact O-CB 3.31Å; A407-L411 WeakPolarHBondContact O-CB 3.36Å; A407-L411 WeakPolarHBondContact O-CD1 3.45Å; A407-L411 WeakPolarHBondContact O-CG 3.26Å; A407-L411 PolarHBondContact O-N 3.4Å
408	E	53.8	Low	53	Low	123 Å²	123	118 Å²	118	58%	0.575	59%	0.585	S	S	*	*	H	α-helix	trans	-61	-39.5	171.3	-77.5	169.7	177.7	0	0	111.9	R404 R405 Q412	R404-E408 VanDerWaalsContact O-CB 3.31Å; R404-E408 WeakPolarHBondContact O-CB 3.39Å; R404-E408 VanDerWaalsContact O-CG 3.22Å; R404-E408 WeakPolarHBondContact O-CG 3.42Å; R404-E408 PolarHBondContact O-N 2.93Å; R405-E408 PolarHBondContact O-N 2.68Å; E408-Q412 PolarHBondContact O-N 3.4Å
409	H	50.7	Low	52.1	Low	116 Å²	116	115.4 Å²	115.4	54%	0.537	57%	0.573	S	S	.	*	H	α-helix	trans	-69.4	-41.5	176.8	-133	-93.9	0	0	0	112.3	R405 T406 A407 L411 Q412 F413	R405-H409 WeakPolarHBondContact O-CB 3.39Å; R405-H409 PolarHBondContact O-N 3.49Å; T406-H409 PolarHBondContact O-N 3.08Å; A407-H409 VanDerWaalsContact C-N 3.32Å; A407-H409 PolarHBondContact O-N 3.12Å; H409-L411 VanDerWaalsContact C-N 3.34Å; H409-Q412 WeakPolarHBondContact O-CB 3.41Å; H409-Q412 PolarHBondContact O-N 3.36Å; H409-F413 VanDerWaalsContact O-CD2 3.26Å; H409-F413 WeakPolarHBondContact O-CD2 3.41Å
410	L	43.1	Very low	51.3	Low	119 Å²	119	115.8 Å²	115.8	62%	0.623	57%	0.571	S	S	*	*	H	α-helix	trans	-68.9	-31.5	176.3	-75.7	166.5	0	0	0	112.4	T406 A407 Q412 F413	T406-L410 HydrophobicContact CG2-CD1 4.13Å; T406-L410 WeakPolarHBondContact O-CB 3.4Å; T406-L410 WeakPolarHBondContact O-CG 3.3Å; T406-L410 PolarHBondContact O-N 3.11Å; A407-L410 PolarHBondContact O-N 3.41Å; L410-Q412 VanDerWaalsContact C-N 3.27Å; L410-Q412 PolarHBondContact O-N 3.29Å; L410-F413 PolarHBondContact O-N 3.11Å
411	L	44.7	Very low	50.4	Low	88 Å²	88	119.6 Å²	119.6	46%	0.461	58%	0.584	S	S	.	*	H	α-helix	trans	-69.7	-20.1	173.5	-76.9	166	0	0	0	113.4	A407 H409 F413 T419	A407-L411 VanDerWaalsContact O-CB 3.31Å; A407-L411 WeakPolarHBondContact O-CB 3.36Å; A407-L411 WeakPolarHBondContact O-CD1 3.45Å; A407-L411 WeakPolarHBondContact O-CG 3.26Å; A407-L411 PolarHBondContact O-N 3.4Å; H409-L411 VanDerWaalsContact C-N 3.34Å; L411-F413 VanDerWaalsContact C-N 3.27Å; L411-T419 HydrophobicContact CD2-CG2 3.73Å
412	Q	48.2	Very low	49.9	Very low	147 Å²	147	120.3 Å²	120.3	69%	0.687	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-18.4	171.4	-79.2	-178.9	-14.1	0	0	113.1	E408 H409 L410	E408-Q412 PolarHBondContact O-N 3.4Å; H409-Q412 WeakPolarHBondContact O-CB 3.41Å; H409-Q412 PolarHBondContact O-N 3.36Å; L410-Q412 VanDerWaalsContact C-N 3.27Å; L410-Q412 PolarHBondContact O-N 3.29Å
413	F	45.8	Very low	49.3	Very low	169 Å²	169	119.7 Å²	119.7	74%	0.741	57%	0.572	S	S	*	*	S	Bend	trans	-103.3	-3.2	-176.8	-73.2	-77.8	0	0	0	114.9	H409 L410 L411	H409-F413 VanDerWaalsContact O-CD2 3.26Å; H409-F413 WeakPolarHBondContact O-CD2 3.41Å; L410-F413 PolarHBondContact O-N 3.11Å; L411-F413 VanDerWaalsContact C-N 3.27Å
414	S	43.1	Very low	48.7	Very low	67 Å²	67	122 Å²	122	47%	0.469	58%	0.582	S	S	.	*	S	Bend	trans	-110.5	129.5	179.9	-177.3	0	0	0	0	111.6	K416	S414-K416 PolarHBondContact O-N 2.91Å
415	D	46.7	Very low	48.4	Very low	149 Å²	149	122.9 Å²	122.9	80%	0.797	59%	0.59	S	S	*	*			trans	-41	118	-172.5	-102.9	-37.4	0	0	0	114.7	K417	D415-K417 PolarHBondContact O-N 3.34Å
416	K	49.6	Very low	47.7	Very low	177 Å²	177	120.1 Å²	120.1	77%	0.77	59%	0.586	S	S	*	*	H	α-helix	trans	-56.4	-13.2	-168.5	-81.1	178.1	173.3	175.1	0	116.4	S414 E420	S414-K416 PolarHBondContact O-N 2.91Å; K416-E420 WeakPolarHBondContact O-CB 3.49Å
417	K	46.9	Very low	47.2	Very low	186 Å²	186	122.8 Å²	122.8	81%	0.809	59%	0.591	S	S	*	*	H	α-helix	trans	-91.6	-35.6	-169.3	-92.3	-177.8	173.7	178.2	0	116	D415	D415-K417 PolarHBondContact O-N 3.34Å
418	K	44.8	Very low	46.7	Very low	173 Å²	173	123.9 Å²	123.9	75%	0.752	60%	0.6	S	S	*	*	H	α-helix	trans	-85	-32.1	-179.2	-85	-177.7	174.8	177.5	0	112.6	V422	K418-V422 WeakPolarHBondContact O-CG2 3.41Å; K418-V422 PolarHBondContact O-N 2.79Å
419	T	46.7	Very low	46.1	Very low	40 Å²	40	125.6 Å²	125.6	25%	0.245	61%	0.61	C	S	.	*	H	α-helix	trans	-74.9	-32.5	-177.2	-27.4	0	0	0	0	111.6	L411 E421 V422 I423	L411-T419 HydrophobicContact CD2-CG2 3.73Å; T419-E421 VanDerWaalsContact C-N 3.35Å; T419-E421 PolarHBondContact O-N 3.09Å; T419-V422 PolarHBondContact O-N 3.46Å; T419-I423 HydrophobicContact CG2-CD1 3.98Å; T419-I423 WeakPolarHBondContact O-CB 3.41Å; T419-I423 WeakPolarHBondContact O-CD1 3.36Å; T419-I423 WeakPolarHBondContact O-CG1 3.44Å; T419-I423 PolarHBondContact O-N 3.23Å
420	E	44.9	Very low	45.6	Very low	126 Å²	126	124 Å²	124	59%	0.589	61%	0.612	S	S	*	*	H	α-helix	trans	-67.8	-30.9	177.1	-137.7	179.4	-171.7	0	0	113	K416 K424	K416-E420 WeakPolarHBondContact O-CB 3.49Å; E420-K424 VanDerWaalsContact O-CB 3.25Å; E420-K424 WeakPolarHBondContact O-CB 3.39Å; E420-K424 PolarHBondContact O-N 3.19Å
421	E	45.6	Very low	45.5	Very low	142 Å²	142	126.6 Å²	126.6	66%	0.664	62%	0.618	S	S	*	*	H	α-helix	trans	-72.4	-41.7	173.8	-95.4	-173.2	155.1	0	0	112.6	T419 K424 K425	T419-E421 VanDerWaalsContact C-N 3.35Å; T419-E421 PolarHBondContact O-N 3.09Å; E421-K424 PolarHBondContact O-N 3.38Å; E421-K425 PolarHBondContact O-N 2.96Å
422	V	48.8	Very low	45.2	Very low	83 Å²	83	132 Å²	132	50%	0.503	64%	0.638	S	S	.	*	H	α-helix	trans	-68.8	-39.1	177.3	177.3	0	0	0	0	110.6	K418 T419 K425 M426	K418-V422 WeakPolarHBondContact O-CG2 3.41Å; K418-V422 PolarHBondContact O-N 2.79Å; T419-V422 PolarHBondContact O-N 3.46Å; V422-K425 PolarHBondContact O-N 3.48Å; V422-M426 HydrophobicContact CG1-CE 3.78Å; V422-M426 PolarHBondContact O-N 3.26Å
423	I	47.9	Very low	44.7	Very low	60 Å²	60	132.8 Å²	132.8	31%	0.308	64%	0.642	S	S	.	*	H	α-helix	trans	-69.3	-43.7	174.3	-71.7	172.9	0	0	0	110.6	T419 K425 M426 F427	T419-I423 HydrophobicContact CG2-CD1 3.98Å; T419-I423 WeakPolarHBondContact O-CB 3.41Å; T419-I423 WeakPolarHBondContact O-CD1 3.36Å; T419-I423 WeakPolarHBondContact O-CG1 3.44Å; T419-I423 PolarHBondContact O-N 3.23Å; I423-K425 VanDerWaalsContact C-N 3.27Å; I423-K425 PolarHBondContact O-N 3.49Å; I423-M426 PolarHBondContact O-N 3.01Å; I423-M426 VanDerWaalsContact O-N 3.17Å; I423-F427 HydrophobicContact CB-CD2 4.44Å; I423-F427 HydrophobicContact CG2-CD2 3.43Å; I423-F427 VanDerWaalsContact CG2-CD2 3.43Å; I423-F427 HydrophobicContact CG2-CE2 3.64Å; I423-F427 WeakPolarHBondContact O-CB 3.43Å; I423-F427 VanDerWaalsContact O-CD2 3.29Å; I423-F427 WeakPolarHBondContact O-CD2 3.13Å; I423-F427 PolarHBondContact O-N 3.14Å
424	K	48.3	Very low	44.3	Very low	149 Å²	149	132 Å²	132	65%	0.648	65%	0.645	S	S	*	*	H	α-helix	trans	-59.5	-36.6	172.6	-97.1	178.1	175.9	167.6	0	112.2	E420 E421 A428	E420-K424 VanDerWaalsContact O-CB 3.25Å; E420-K424 WeakPolarHBondContact O-CB 3.39Å; E420-K424 PolarHBondContact O-N 3.19Å; E421-K424 PolarHBondContact O-N 3.38Å; K424-A428 WeakPolarHBondContact O-CA 3.43Å; K424-A428 WeakPolarHBondContact O-CB 3.34Å; K424-A428 PolarHBondContact O-N 2.73Å
425	K	49.9	Very low	44.1	Very low	167 Å²	167	139 Å²	139	73%	0.726	67%	0.667	S	S	*	*	H	α-helix	trans	-67.1	-44.2	173	-97.2	-179.4	174.3	175.7	0	112.5	E421 V422 I423 M429	E421-K425 PolarHBondContact O-N 2.96Å; V422-K425 PolarHBondContact O-N 3.48Å; I423-K425 VanDerWaalsContact C-N 3.27Å; I423-K425 PolarHBondContact O-N 3.49Å; K425-M429 WeakPolarHBondContact O-CG 3.27Å; K425-M429 PolarHBondContact O-N 2.93Å
426	M	41.9	Very low	43.4	Very low	127 Å²	127	135.5 Å²	135.5	63%	0.626	67%	0.666	S	S	*	*	H	α-helix	trans	-65.5	-39.3	176.6	-78.4	-159.1	-110.3	0	0	113.1	V422 I423	V422-M426 HydrophobicContact CG1-CE 3.78Å; V422-M426 PolarHBondContact O-N 3.26Å; I423-M426 PolarHBondContact O-N 3.01Å; I423-M426 VanDerWaalsContact O-N 3.17Å
427	F	45.6	Very low	42.8	Very low	135 Å²	135	137.6 Å²	137.6	59%	0.592	68%	0.675	S	S	*	*	H	α-helix	trans	-83.8	-27.4	179.3	-78.2	-82.4	0	0	0	113.6	I423 M429 S430 K431	I423-F427 HydrophobicContact CB-CD2 4.44Å; I423-F427 HydrophobicContact CG2-CD2 3.43Å; I423-F427 VanDerWaalsContact CG2-CD2 3.43Å; I423-F427 HydrophobicContact CG2-CE2 3.64Å; I423-F427 WeakPolarHBondContact O-CB 3.43Å; I423-F427 VanDerWaalsContact O-CD2 3.29Å; I423-F427 WeakPolarHBondContact O-CD2 3.13Å; I423-F427 PolarHBondContact O-N 3.14Å; F427-M429 VanDerWaalsContact C-N 3.3Å; F427-M429 PolarHBondContact O-N 3.17Å; F427-S430 WeakPolarHBondContact O-CB 3.24Å; F427-S430 PolarHBondContact O-N 3.17Å; F427-S430 VanDerWaalsContact O-N 3.12Å; F427-K431 PolarHBondContact O-N 3.3Å
428	A	44.4	Very low	42.2	Very low	59 Å²	59	132.6 Å²	132.6	49%	0.488	68%	0.677	S	S	.	*	H	α-helix	trans	-67.9	-31.2	172	0	0	0	0	0	112	K424 S430 K431 K432	K424-A428 WeakPolarHBondContact O-CA 3.43Å; K424-A428 WeakPolarHBondContact O-CB 3.34Å; K424-A428 PolarHBondContact O-N 2.73Å; A428-S430 VanDerWaalsContact C-N 3.29Å; A428-K431 PolarHBondContact O-N 3.24Å; A428-K432 PolarHBondContact O-N 2.89Å
429	M	41.3	Very low	41.6	Very low	159 Å²	159	128.1 Å²	128.1	78%	0.783	68%	0.68	S	S	*	*	H	α-helix	trans	-68.5	-28.3	169.6	-75	-177.7	49	0	0	112.8	K425 F427	K425-M429 WeakPolarHBondContact O-CG 3.27Å; K425-M429 PolarHBondContact O-N 2.93Å; F427-M429 VanDerWaalsContact C-N 3.3Å; F427-M429 PolarHBondContact O-N 3.17Å
430	S	39.7	Very low	41	Very low	81 Å²	81	136 Å²	136	57%	0.566	71%	0.711	S	S	*	*	H	α-helix	trans	-78.6	-32.7	173.4	138.2	0	0	0	0	112.9	F427 A428	F427-S430 WeakPolarHBondContact O-CB 3.24Å; F427-S430 PolarHBondContact O-N 3.17Å; F427-S430 VanDerWaalsContact O-N 3.12Å; A428-S430 VanDerWaalsContact C-N 3.29Å
431	K	39.7	Very low	40.5	Very low	175 Å²	175	142.4 Å²	142.4	76%	0.761	73%	0.73	S	S	*	*	H	α-helix	trans	-85.5	-15.3	-175.3	-123	178.3	-176.5	177.9	0	115.7	F427 A428 Q433	F427-K431 PolarHBondContact O-N 3.3Å; A428-K431 PolarHBondContact O-N 3.24Å; K431-Q433 PolarHBondContact O-N 2.89Å
432	K	39	Very low	39.8	Very low	201 Å²	201	143.3 Å²	143.3	87%	0.874	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	8.1	178.6	-116.3	-176.4	-176.6	-177.3	0	114.8	A428	A428-K432 PolarHBondContact O-N 2.89Å
433	Q	38.4	Very low	39.3	Very low	164 Å²	164	145.7 Å²	145.7	77%	0.766	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	8	177.8	-141.2	177.3	4.9	0	0	114.6	K431	K431-Q433 PolarHBondContact O-N 2.89Å
434	N	37	Very low	38.6	Very low	152 Å²	152	149.5 Å²	149.5	81%	0.813	77%	0.768	S	S	*	*	S	Bend	trans	-111.7	15.6	-176.6	-98.8	3.7	0	0	0	116.7
435	K	38.8	Very low	38.1	Very low	214 Å²	214	145.4 Å²	145.4	93%	0.93	77%	0.768	S	S	*	*	S	Bend	trans	-139.4	94.3	163.4	-81.7	-169.6	175.9	-179.6	0	111.1
436	G	31.5	Very low	37.4	Very low	76 Å²	76	144 Å²	144	78%	0.784	76%	0.764	S	S	*	*			trans	165.2	108.5	169.5	0	0	0	0	0	111.7
437	K	36.9	Very low	37	Very low	220 Å²	220	145.5 Å²	145.5	96%	0.957	77%	0.767	S	S	*	*			trans	-61.6	133.3	176.6	-81.3	173.9	169.2	176.8	0	111.2
438	G	35.7	Very low	36.5	Very low	82 Å²	82	144.9 Å²	144.9	85%	0.845	77%	0.769	S	S	*	*			trans	93.1	118.3	153.1	0	0	0	0	0	117.4
439	G	31.3	Very low	36.3	Very low	79 Å²	79	145.4 Å²	145.4	81%	0.814	77%	0.769	S	S	*	*			trans	124.9	112.4	153	0	0	0	0	0	117.9
440	K	34.1	Very low	36.1	Very low	205 Å²	205	145.1 Å²	145.1	89%	0.891	77%	0.766	S	S	*	*			trans	55.5	115.9	158.8	-75.6	178.5	174.6	176.9	0	119.9	L442	K440-L442 PolarHBondContact O-N 3.34Å
441	R	34.4	Very low	36	Very low	261 Å²	261	147.4 Å²	147.4	99%	0.985	77%	0.772	S	S	*	*			trans	-58.1	119	163.7	-89	178.9	169.4	171.7	-3.4	110.4
442	L	32.1	Very low	35.9	Very low	160 Å²	160	144.1 Å²	144.1	84%	0.838	76%	0.762	S	S	*	*			trans	-110.6	134.6	168.1	-115.7	122.2	0	0	0	109.1	K440 L444	K440-L442 PolarHBondContact O-N 3.34Å; L442-L444 PolarHBondContact O-N 3.06Å
443	N	36.7	Very low	36	Very low	133 Å²	133	138.4 Å²	138.4	71%	0.711	75%	0.746	S	S	*	*			trans	-65.1	115.9	-175.8	-91.2	-24.5	0	0	0	112.2	G445	N443-G445 PolarHBondContact O-N 3.02Å
444	L	34.4	Very low	36.4	Very low	141 Å²	141	135.1 Å²	135.1	74%	0.738	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-15.1	178.7	-157.4	80.7	0	0	0	113.4	L442	L442-L444 PolarHBondContact O-N 3.06Å
445	G	36.9	Very low	36.7	Very low	62 Å²	62	131.3 Å²	131.3	64%	0.639	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-27.9	-175.6	0	0	0	0	0	115.3	N443	N443-G445 PolarHBondContact O-N 3.02Å
446	E	36.2	Very low	36.8	Very low	139 Å²	139	125 Å²	125	65%	0.65	69%	0.685	S	S	*	*	H	α-helix	trans	-77.9	-33.6	-178.5	-87.6	174.3	145.3	0	0	112.7	S449	E446-S449 PolarHBondContact O-OG 3.35Å
447	K	32.2	Very low	37.9	Very low	158 Å²	158	123.2 Å²	123.2	69%	0.687	66%	0.663	S	S	*	*	H	α-helix	trans	-83.4	-15	-171.7	-129.3	177.3	-174.6	179.1	0	114.9
448	L	37	Very low	38.1	Very low	122 Å²	122	118 Å²	118	64%	0.639	64%	0.642	S	S	*	*	H	α-helix	trans	-89.5	-22	175.5	-81.4	163.7	0	0	0	112.4
449	S	39	Very low	38.7	Very low	69 Å²	69	118 Å²	118	48%	0.483	62%	0.622	S	S	.	*	H	α-helix	trans	-78.9	-20	175.4	72.4	0	0	0	0	113.5	E446	E446-S449 PolarHBondContact O-OG 3.35Å
450	E	36.5	Very low	39.4	Very low	153 Å²	153	120.7 Å²	120.7	72%	0.715	61%	0.613	S	S	*	*	S	Bend	trans	-78.1	-15.8	177.2	-73.4	-175.2	155.5	0	0	114.1
451	N	37.5	Very low	40.4	Very low	130 Å²	130	114.9 Å²	114.9	70%	0.695	60%	0.595	S	S	*	*	S	Bend	trans	-114.2	2	-173	-74.5	-52.6	0	0	0	114.7
452	L	38.7	Very low	41	Very low	106 Å²	106	105 Å²	105	56%	0.555	57%	0.566	S	S	*	*	S	Bend	trans	-88.7	137.6	164.4	-116.8	75.8	0	0	0	108.1	D454	L452-D454 PolarHBondContact O-N 2.85Å; L452-D454 VanDerWaalsContact O-N 3.15Å
453	P	40.3	Very low	41.9	Very low	81 Å²	81	101.6 Å²	101.6	53%	0.526	55%	0.546	S	S	.	.			trans	-54.6	126	172.3	-10.9	20.7	0	0	0	108.2	I455	P453-I455 PolarHBondContact O-N 3.37Å
454	D	47.6	Very low	42.8	Very low	95 Å²	95	102 Å²	102	51%	0.508	54%	0.541	S	S	.	.			trans	-59.8	104.4	176.4	-177.9	0.2	0	0	0	108.2	L452 F456 A457 Q458	L452-D454 PolarHBondContact O-N 2.85Å; L452-D454 VanDerWaalsContact O-N 3.15Å; D454-F456 PolarHBondContact O-N 3.23Å; D454-F456 WeakPolarHBondContact OD1-CB 3.27Å; D454-F456 PolarHBondContact OD1-N 2.88Å; D454-A457 HydrophobicContact CB-CB 3.82Å; D454-A457 WeakPolarHBondContact O-CA 3.43Å; D454-A457 WeakPolarHBondContact O-CB 3.24Å; D454-A457 PolarHBondContact O-N 3.18Å; D454-Q458 PolarHBondContact O-N 3.25Å
455	I	43.8	Very low	43.8	Very low	72 Å²	72	99.3 Å²	99.3	37%	0.369	53%	0.527	S	S	.	.	H	α-helix	trans	-60.2	-29.5	-178	-66.6	176.3	0	0	0	109.2	P453 Q458 I459	P453-I455 PolarHBondContact O-N 3.37Å; I455-Q458 PolarHBondContact O-N 2.97Å; I455-I459 HydrophobicContact CG2-CD1 3.7Å; I455-I459 HydrophobicContact CG2-CG1 4.23Å; I455-I459 WeakPolarHBondContact O-CB 3.4Å; I455-I459 WeakPolarHBondContact O-CD1 3.4Å; I455-I459 WeakPolarHBondContact O-CG1 3.49Å; I455-I459 PolarHBondContact O-N 3.32Å
456	F	40.6	Very low	44.2	Very low	80 Å²	80	101.9 Å²	101.9	35%	0.351	52%	0.523	S	S	.	.	H	α-helix	trans	-71.6	-36.2	174.4	-65.3	-82.6	0	0	0	112.2	F386 Q387 D454 Q458 I459 E460	F386-F456 HydrophobicContact CB-CZ 4.18Å; Q387-F456 HydrophobicContact CG-CE2 4.25Å; D454-F456 PolarHBondContact O-N 3.23Å; D454-F456 WeakPolarHBondContact OD1-CB 3.27Å; D454-F456 PolarHBondContact OD1-N 2.88Å; F456-Q458 VanDerWaalsContact C-N 3.31Å; F456-I459 PolarHBondContact O-N 3.39Å; F456-E460 WeakPolarHBondContact O-CB 3.26Å; F456-E460 PolarHBondContact O-N 3.32Å
457	A	53.3	Low	44.9	Very low	40 Å²	40	102.9 Å²	102.9	33%	0.331	52%	0.521	S	S	.	.	H	α-helix	trans	-67.3	-33.6	171.3	0	0	0	0	0	111.9	D454 V461	D454-A457 HydrophobicContact CB-CB 3.82Å; D454-A457 WeakPolarHBondContact O-CA 3.43Å; D454-A457 WeakPolarHBondContact O-CB 3.24Å; D454-A457 PolarHBondContact O-N 3.18Å; A457-V461 WeakPolarHBondContact O-CB 3.37Å; A457-V461 WeakPolarHBondContact O-CG2 3.15Å; A457-V461 PolarHBondContact O-N 2.88Å
458	Q	43.1	Very low	45.9	Very low	110 Å²	110	101 Å²	101	51%	0.514	51%	0.514	S	S	.	.	H	α-helix	trans	-72.2	-39.2	174.1	-70.5	-172.5	-10.3	0	0	112.5	D454 I455 F456 V461 S462	D454-Q458 PolarHBondContact O-N 3.25Å; I455-Q458 PolarHBondContact O-N 2.97Å; F456-Q458 VanDerWaalsContact C-N 3.31Å; Q458-V461 PolarHBondContact O-N 3.25Å; Q458-S462 WeakPolarHBondContact O-CB 3.35Å; Q458-S462 PolarHBondContact O-N 3.32Å; Q458-S462 PolarHBondContact O-OG 3.39Å
459	I	46.3	Very low	46.5	Very low	81 Å²	81	104.8 Å²	104.8	42%	0.415	52%	0.52	S	S	.	.	H	α-helix	trans	-65.6	-41.4	173.1	-70.9	166.3	0	0	0	110	I455 F456 V461 S462 E463	I455-I459 HydrophobicContact CG2-CD1 3.7Å; I455-I459 HydrophobicContact CG2-CG1 4.23Å; I455-I459 WeakPolarHBondContact O-CB 3.4Å; I455-I459 WeakPolarHBondContact O-CD1 3.4Å; I455-I459 WeakPolarHBondContact O-CG1 3.49Å; I455-I459 PolarHBondContact O-N 3.32Å; F456-I459 PolarHBondContact O-N 3.39Å; I459-V461 VanDerWaalsContact C-N 3.34Å; I459-V461 PolarHBondContact O-N 3.32Å; I459-S462 WeakPolarHBondContact CA-OG 3.47Å; I459-S462 PolarHBondContact O-N 3.31Å; I459-S462 PolarHBondContact O-OG 3.07Å; I459-E463 WeakPolarHBondContact O-CB 3.22Å; I459-E463 PolarHBondContact O-N 3.38Å
460	E	47.9	Very low	47	Very low	136 Å²	136	106.3 Å²	106.3	64%	0.636	52%	0.522	S	S	*	.	H	α-helix	trans	-64	-39.6	176.8	-171.1	176.8	-174	0	0	111.4	F456 K464	F456-E460 WeakPolarHBondContact O-CB 3.26Å; F456-E460 PolarHBondContact O-N 3.32Å; E460-K464 WeakPolarHBondContact O-CB 3.31Å; E460-K464 PolarHBondContact O-N 2.81Å
461	V	54.7	Low	47.5	Very low	83 Å²	83	102.2 Å²	102.2	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-69.2	-38.5	172.9	171	0	0	0	0	111.7	A457 Q458 I459 K464 N465	A457-V461 WeakPolarHBondContact O-CB 3.37Å; A457-V461 WeakPolarHBondContact O-CG2 3.15Å; A457-V461 PolarHBondContact O-N 2.88Å; Q458-V461 PolarHBondContact O-N 3.25Å; I459-V461 VanDerWaalsContact C-N 3.34Å; I459-V461 PolarHBondContact O-N 3.32Å; V461-K464 PolarHBondContact O-N 3.03Å; V461-N465 WeakPolarHBondContact O-CB 3.14Å; V461-N465 PolarHBondContact O-N 3.13Å; V461-N465 PolarHBondContact O-ND2 3.29Å
462	S	45.9	Very low	48	Very low	55 Å²	55	104.3 Å²	104.3	39%	0.385	51%	0.513	S	S	.	.	H	α-helix	trans	-69.6	-42.8	177.5	73.7	0	0	0	0	111.8	Q458 I459 K464 N465 E466	Q458-S462 WeakPolarHBondContact O-CB 3.35Å; Q458-S462 PolarHBondContact O-N 3.32Å; Q458-S462 PolarHBondContact O-OG 3.39Å; I459-S462 WeakPolarHBondContact CA-OG 3.47Å; I459-S462 PolarHBondContact O-N 3.31Å; I459-S462 PolarHBondContact O-OG 3.07Å; S462-K464 VanDerWaalsContact C-N 3.3Å; S462-K464 PolarHBondContact O-N 3.32Å; S462-N465 PolarHBondContact O-N 3.22Å; S462-E466 VanDerWaalsContact O-CB 3.3Å; S462-E466 WeakPolarHBondContact O-CB 3.39Å; S462-E466 PolarHBondContact O-N 2.98Å
463	E	52.4	Low	48	Very low	88 Å²	88	105.9 Å²	105.9	41%	0.411	52%	0.517	S	S	.	.	H	α-helix	trans	-60.5	-41	173.2	-116.2	-160.6	125.8	0	0	110.9	I459 N465 E466 R467	I459-E463 WeakPolarHBondContact O-CB 3.22Å; I459-E463 PolarHBondContact O-N 3.38Å; E463-N465 VanDerWaalsContact C-N 3.33Å; E463-N465 PolarHBondContact O-N 3.28Å; E463-E466 PolarHBondContact O-N 3.12Å; E463-R467 WeakPolarHBondContact O-CB 3.09Å; E463-R467 WeakPolarHBondContact O-CG 3.27Å; E463-R467 PolarHBondContact O-N 3.45Å; E463-R467 IonicContact OE1-CZ 3.49Å; E463-R467 IonicContact OE1-NE 3.49Å; E463-R467 PolarHBondContact OE1-NE 2.74Å; E463-R467 IonicContact OE1-NH2 2.72Å; E463-R467 PolarHBondContact OE1-NH2 3.45Å; E463-R467 IonicContact OE2-NH2 3.79Å
464	K	55.7	Low	47.9	Very low	141 Å²	141	107.3 Å²	107.3	61%	0.613	52%	0.524	S	S	*	.	H	α-helix	trans	-64.1	-39.2	176.9	-164.6	175.1	-172.8	175.8	0	111.9	E460 V461 S462 Q468	E460-K464 WeakPolarHBondContact O-CB 3.31Å; E460-K464 PolarHBondContact O-N 2.81Å; V461-K464 PolarHBondContact O-N 3.03Å; S462-K464 VanDerWaalsContact C-N 3.3Å; S462-K464 PolarHBondContact O-N 3.32Å; K464-Q468 WeakPolarHBondContact O-CG 3.38Å; K464-Q468 PolarHBondContact O-N 2.87Å
465	N	53.8	Low	47.7	Very low	84 Å²	84	112.8 Å²	112.8	45%	0.449	54%	0.539	S	S	.	.	H	α-helix	trans	-71.8	-34.1	175.7	-70.6	-20.1	0	0	0	112.4	V461 S462 E463 R469	V461-N465 WeakPolarHBondContact O-CB 3.14Å; V461-N465 PolarHBondContact O-N 3.13Å; V461-N465 PolarHBondContact O-ND2 3.29Å; S462-N465 PolarHBondContact O-N 3.22Å; E463-N465 VanDerWaalsContact C-N 3.33Å; E463-N465 PolarHBondContact O-N 3.28Å; N465-R469 WeakPolarHBondContact O-CG 3.25Å; N465-R469 PolarHBondContact O-N 2.76Å; N465-R469 VanDerWaalsContact O-N 3.15Å
466	E	46.9	Very low	47.4	Very low	116 Å²	116	117.3 Å²	117.3	54%	0.542	56%	0.559	S	S	.	*	H	α-helix	trans	-75.1	-39.1	179.2	-160.7	156.3	-154.1	0	0	111.4	S462 E463 Q468 R469 I470	S462-E466 VanDerWaalsContact O-CB 3.3Å; S462-E466 WeakPolarHBondContact O-CB 3.39Å; S462-E466 PolarHBondContact O-N 2.98Å; E463-E466 PolarHBondContact O-N 3.12Å; E466-Q468 VanDerWaalsContact C-N 3.31Å; E466-Q468 PolarHBondContact O-N 2.96Å; E466-R469 PolarHBondContact O-N 2.97Å; E466-R469 VanDerWaalsContact O-N 3.08Å; E466-I470 HydrophobicContact CG-CD1 4.28Å; E466-I470 VanDerWaalsContact O-CG1 3.32Å; E466-I470 WeakPolarHBondContact O-CG1 3.26Å; E466-I470 PolarHBondContact O-N 3.02Å
467	R	50.9	Low	47.1	Very low	161 Å²	161	119.4 Å²	119.4	61%	0.608	57%	0.574	S	S	*	*	H	α-helix	trans	-60.7	-37.1	170.1	-72.2	174.2	-172.5	-165.1	5.7	112.5	E463 S471	E463-R467 WeakPolarHBondContact O-CB 3.09Å; E463-R467 WeakPolarHBondContact O-CG 3.27Å; E463-R467 PolarHBondContact O-N 3.45Å; E463-R467 IonicContact OE1-CZ 3.49Å; E463-R467 IonicContact OE1-NE 3.49Å; E463-R467 PolarHBondContact OE1-NE 2.74Å; E463-R467 IonicContact OE1-NH2 2.72Å; E463-R467 PolarHBondContact OE1-NH2 3.45Å; E463-R467 IonicContact OE2-NH2 3.79Å; R467-S471 WeakPolarHBondContact O-CB 3.49Å; R467-S471 PolarHBondContact O-N 3.01Å; R467-S471 PolarHBondContact O-OG 2.88Å
468	Q	52.6	Low	46	Very low	119 Å²	119	123.2 Å²	123.2	56%	0.556	60%	0.598	S	S	*	*	H	α-helix	trans	-71	-26.8	173.2	-78.7	-176.3	-13.6	0	0	113.8	K464 E466 S471	K464-Q468 WeakPolarHBondContact O-CG 3.38Å; K464-Q468 PolarHBondContact O-N 2.87Å; E466-Q468 VanDerWaalsContact C-N 3.31Å; E466-Q468 PolarHBondContact O-N 2.96Å; Q468-S471 PolarHBondContact O-OG 2.88Å; Q468-S471 VanDerWaalsContact O-OG 3.13Å
469	R	48.4	Very low	45.8	Very low	201 Å²	201	123.6 Å²	123.6	76%	0.758	61%	0.61	S	S	*	*	H	α-helix	trans	-77.5	-42.9	174	-78.3	-178.4	176.8	-169.9	-0.9	111.6	N465 E466 S471 K472 H473	N465-R469 WeakPolarHBondContact O-CG 3.25Å; N465-R469 PolarHBondContact O-N 2.76Å; N465-R469 VanDerWaalsContact O-N 3.15Å; E466-R469 PolarHBondContact O-N 2.97Å; E466-R469 VanDerWaalsContact O-N 3.08Å; R469-S471 VanDerWaalsContact C-N 3.35Å; R469-K472 PolarHBondContact O-N 2.8Å; R469-H473 PolarHBondContact O-N 3.48Å
470	I	50.1	Low	45.3	Very low	100 Å²	100	128.4 Å²	128.4	51%	0.513	63%	0.631	S	S	.	*	H	α-helix	trans	-64.2	-40.9	177	-65.1	164.8	0	0	0	110.2	E466 K472 H473 T474	E466-I470 HydrophobicContact CG-CD1 4.28Å; E466-I470 VanDerWaalsContact O-CG1 3.32Å; E466-I470 WeakPolarHBondContact O-CG1 3.26Å; E466-I470 PolarHBondContact O-N 3.02Å; I470-K472 PolarHBondContact O-N 3.06Å; I470-H473 PolarHBondContact O-N 3.31Å; I470-T474 PolarHBondContact O-N 2.78Å; I470-T474 PolarHBondContact O-OG1 2.87Å
471	S	47.8	Very low	45.1	Very low	68 Å²	68	131 Å²	131	48%	0.476	64%	0.643	S	S	.	*	H	α-helix	trans	-64.5	-24.3	176	75.6	0	0	0	0	114.1	R467 Q468 R469	R467-S471 WeakPolarHBondContact O-CB 3.49Å; R467-S471 PolarHBondContact O-N 3.01Å; R467-S471 PolarHBondContact O-OG 2.88Å; Q468-S471 PolarHBondContact O-OG 2.88Å; Q468-S471 VanDerWaalsContact O-OG 3.13Å; R469-S471 VanDerWaalsContact C-N 3.35Å
472	K	46.9	Very low	44.1	Very low	173 Å²	173	129.4 Å²	129.4	75%	0.752	64%	0.643	S	S	*	*	H	α-helix	trans	-82.8	-27.9	175.5	-91.8	-176.5	172.8	-177	0	112.9	R469 I470	R469-K472 PolarHBondContact O-N 2.8Å; I470-K472 PolarHBondContact O-N 3.06Å
473	H	38.5	Very low	43.6	Very low	140 Å²	140	131.9 Å²	131.9	65%	0.648	65%	0.652	S	S	*	*	H	α-helix	trans	-85.3	-28.6	-178.2	-136.4	3.6	0	0	0	113	R469 I470 Y475	R469-H473 PolarHBondContact O-N 3.48Å; I470-H473 PolarHBondContact O-N 3.31Å; H473-Y475 PolarHBondContact O-N 3.02Å
474	T	39.4	Very low	42.9	Very low	110 Å²	110	131.1 Å²	131.1	68%	0.675	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-9.4	178.6	-47.9	0	0	0	0	114	I470	I470-T474 PolarHBondContact O-N 2.78Å; I470-T474 PolarHBondContact O-OG1 2.87Å
475	Y	43	Very low	42.4	Very low	210 Å²	210	129 Å²	129	82%	0.824	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-11.3	-179	-101	-83.6	0	0	0	115	H473	H473-Y475 PolarHBondContact O-N 3.02Å
476	E	38.3	Very low	41.6	Very low	167 Å²	167	129.3 Å²	129.3	78%	0.78	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	-11.8	-174.5	-77.4	-171.8	159.8	0	0	116
477	D	33.1	Very low	41.2	Very low	125 Å²	125	132.1 Å²	132.1	67%	0.668	67%	0.671	S	S	*	*	S	Bend	trans	-134.4	93.1	-177.7	-78.9	-38.5	0	0	0	114.5
478	S	29.6	Very low	40.7	Very low	119 Å²	119	128 Å²	128	83%	0.832	67%	0.671	S	S	*	*				156.4	137.3	123.5	-86.2	0	0	0	0	115.1
479	P	39.1	Very low	39.7	Very low	118 Å²	118	131.4 Å²	131.4	77%	0.766	68%	0.684	S	S	*	*			trans	-87.6	152.9	168.3	34.7	-28.3	0	0	0	113.1
480	E	36.3	Very low	39.2	Very low	182 Å²	182	127.5 Å²	127.5	85%	0.85	68%	0.682	S	S	*	*	S	Bend	trans	56.6	131.4	158.7	-78	-179.7	164	0	0	122.9
481	E	43.5	Very low	38.3	Very low	191 Å²	191	128.5 Å²	128.5	89%	0.893	69%	0.689	S	S	*	*			trans	32	118.1	155.5	-67.8	-170.8	155.7	0	0	121.6
482	G	34.8	Very low	37.5	Very low	49 Å²	49	133.3 Å²	133.3	51%	0.505	70%	0.698	S	S	.	*			trans	144.5	116.9	167.9	0	0	0	0	0	110.9	R487	G482-R487 PolarHBondContact O-NH2 2.99Å
483	D	35.5	Very low	36.8	Very low	107 Å²	107	130 Å²	130	57%	0.572	69%	0.693	S	S	*	*			trans	77	77.6	164.4	-140.8	30.2	0	0	0	117	S486	D483-S486 PolarHBondContact OD2-OG 3.26Å
484	A	37.6	Very low	36.4	Very low	72 Å²	72	128.1 Å²	128.1	60%	0.595	70%	0.702	S	S	*	*	S	Bend	trans	-80.2	-11.8	176.2	0	0	0	0	0	114.3
485	D	44.3	Very low	36	Very low	98 Å²	98	126.4 Å²	126.4	52%	0.524	71%	0.707	S	S	.	*	S	Bend	trans	-84.4	-27.6	-179.7	-99.2	0.1	0	0	0	112.8	R487	D485-R487 PolarHBondContact O-N 3.45Å
486	S	37.7	Very low	35.4	Very low	90 Å²	90	124.9 Å²	124.9	63%	0.629	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-12.1	174.6	-60	0	0	0	0	113.3	D483	D483-S486 PolarHBondContact OD2-OG 3.26Å
487	R	37.7	Very low	35	Very low	175 Å²	175	128.2 Å²	128.2	66%	0.66	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-2.3	-173.8	-64.1	-178.1	-171.3	146.1	6.6	114.8	G482 D485	G482-R487 PolarHBondContact O-NH2 2.99Å; D485-R487 PolarHBondContact O-N 3.45Å
488	A	39.7	Very low	34.9	Very low	73 Å²	73	129.8 Å²	129.8	60%	0.603	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-4.5	-171.1	0	0	0	0	0	115.6
489	F	31.9	Very low	34.9	Very low	192 Å²	192	135.5 Å²	135.5	84%	0.842	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	0.4	-171.5	-96.8	-82.4	0	0	0	116.3
490	V	38.6	Very low	34.5	Very low	118 Å²	118	140 Å²	140	72%	0.715	73%	0.732	S	S	*	*			trans	-130.3	88	-174.9	-170.6	0	0	0	0	109.1
491	D	30.7	Very low	33.9	Very low	122 Å²	122	135.3 Å²	135.3	65%	0.652	73%	0.731	S	S	*	*			trans	-178.3	86.2	153.2	-93.9	-18.8	0	0	0	112.2
492	Y	31.8	Very low	33.1	Very low	169 Å²	169	129.1 Å²	129.1	66%	0.663	72%	0.719	S	S	*	*			trans	-103.8	116.4	158.6	-75.8	-82.5	0	0	0	109	A494	Y492-A494 PolarHBondContact O-N 3.12Å
493	P	31	Very low	32.8	Very low	102 Å²	102	134.7 Å²	134.7	66%	0.662	74%	0.737	S	S	*	*			trans	-74.7	119.6	169.6	28.4	-29	0	0	0	109.3	G495	P493-G495 PolarHBondContact O-N 3.28Å; P493-G495 VanDerWaalsContact O-N 3.08Å
494	A	31.2	Very low	32.5	Very low	101 Å²	101	135.1 Å²	135.1	84%	0.835	74%	0.743	S	S	*	*			trans	-71	100.6	172.7	0	0	0	0	0	109.9	Y492 H496	Y492-A494 PolarHBondContact O-N 3.12Å; A494-H496 PolarHBondContact O-N 3.47Å
495	G	29.6	Very low	32.2	Very low	75 Å²	75	140.8 Å²	140.8	77%	0.773	75%	0.754	S	S	*	*			trans	-69.9	112.3	167.6	0	0	0	0	0	110.5	P493 R497	P493-G495 PolarHBondContact O-N 3.28Å; P493-G495 VanDerWaalsContact O-N 3.08Å; G495-R497 PolarHBondContact O-N 3.12Å; G495-R497 VanDerWaalsContact O-N 3.13Å
496	H	31.5	Very low	31.8	Very low	177 Å²	177	139.6 Å²	139.6	82%	0.819	77%	0.765	S	S	*	*			trans	-60.4	110	170.3	-104.2	-73.7	0	0	0	110.9	A494	A494-H496 PolarHBondContact O-N 3.47Å
497	R	30.3	Very low	31.4	Very low	238 Å²	238	145 Å²	145	90%	0.898	77%	0.772	S	S	*	*			trans	-138.9	100.4	153.9	-77.9	-167.9	174.4	175.6	-1.1	110.8	G495 R499	G495-R497 PolarHBondContact O-N 3.12Å; G495-R497 VanDerWaalsContact O-N 3.13Å; R497-R499 PolarHBondContact O-N 2.97Å; R497-R499 VanDerWaalsContact O-N 3.09Å
498	N	30.4	Very low	31.2	Very low	158 Å²	158	148.8 Å²	148.8	85%	0.845	79%	0.786	S	S	*	*			trans	-62.7	103.5	163.7	-82	-21.8	0	0	0	109.4
499	R	30.1	Very low	31	Very low	238 Å²	238	153 Å²	153	90%	0.898	79%	0.791	S	S	*	*			trans	-121.8	116.6	156.7	-101.8	-177.3	172.7	175.3	-2.2	108.7	R497 G501	R497-R499 PolarHBondContact O-N 2.97Å; R497-R499 VanDerWaalsContact O-N 3.09Å; R499-G501 PolarHBondContact O-N 3.38Å
500	K	29.2	Very low	30.9	Very low	214 Å²	214	153.6 Å²	153.6	93%	0.93	79%	0.793	S	S	*	*			trans	-53.2	116.7	173.7	-73.1	176.5	173.2	178.4	0	108.9	G502	K500-G502 PolarHBondContact O-N 3.24Å; K500-G502 VanDerWaalsContact O-N 3.17Å
501	G	25.8	Very low	30.4	Very low	82 Å²	82	156.1 Å²	156.1	85%	0.845	80%	0.797	S	S	*	*			trans	-65.8	108.3	175.8	0	0	0	0	0	110.8	R499	R499-G501 PolarHBondContact O-N 3.38Å
502	G	25.9	Very low	30.3	Very low	62 Å²	62	156.3 Å²	156.3	64%	0.639	80%	0.802	S	S	*	*			trans	-83.5	123.8	159.1	0	0	0	0	0	108.3	K500 V504	K500-G502 PolarHBondContact O-N 3.24Å; K500-G502 VanDerWaalsContact O-N 3.17Å; G502-V504 PolarHBondContact O-N 3.18Å
503	L	27.7	Very low	29.9	Very low	166 Å²	166	156.4 Å²	156.4	87%	0.869	81%	0.808	S	S	*	*			trans	-63.7	93.9	170.9	-170.6	87.4	0	0	0	108.8	K505	L503-K505 PolarHBondContact O-N 3.47Å
504	V	29.6	Very low	29.9	Very low	116 Å²	116	158.4 Å²	158.4	70%	0.703	81%	0.812	S	S	*	*			trans	-84.7	94.1	173.7	-177	0	0	0	0	108.3	G502 G506	G502-V504 PolarHBondContact O-N 3.18Å; V504-G506 PolarHBondContact O-N 2.83Å
505	K	31.6	Very low	29.8	Very low	190 Å²	190	160 Å²	160	83%	0.826	81%	0.811	S	S	*	*			trans	-60	120.9	163.9	-109.5	-179.4	176.2	177.8	0	109.1	L503	L503-K505 PolarHBondContact O-N 3.47Å
506	G	36.9	Very low	29.7	Very low	73 Å²	73	160.9 Å²	160.9	75%	0.753	81%	0.811	S	S	*	*			trans	86.7	83.8	157.8	0	0	0	0	0	115.7	V504	V504-G506 PolarHBondContact O-N 2.83Å
507	R	28.5	Very low	29.6	Very low	205 Å²	205	158.8 Å²	158.8	77%	0.774	81%	0.811	S	S	*	*			trans	-125.2	112.3	147.4	-76.8	-174	178.2	-177.4	-1	108.3	F509	R507-F509 PolarHBondContact O-N 3.34Å
508	R	32.4	Very low	29.6	Very low	254 Å²	254	152 Å²	152	96%	0.958	81%	0.806	S	S	*	*			trans	-73.1	111.1	164.1	-73.6	-174.6	-175.1	-179.7	1.3	106.3
509	F	35.4	Very low	29.5	Very low	162 Å²	162	156.9 Å²	156.9	71%	0.711	81%	0.813	S	S	*	*			trans	-63.7	143.7	164.2	-70.4	-84	0	0	0	108.5	R507 E511	R507-F509 PolarHBondContact O-N 3.34Å; F509-E511 PolarHBondContact O-N 3.32Å
510	K	30.3	Very low	29.4	Very low	204 Å²	204	151 Å²	151	89%	0.887	81%	0.808	S	S	*	*			trans	-56.2	113.6	170.4	-96.5	178.8	173.1	178.1	0	107.3	V512	K510-V512 PolarHBondContact O-N 3.29Å; K510-V512 VanDerWaalsContact O-N 3.09Å
511	E	27.8	Very low	29.6	Very low	170 Å²	170	150.3 Å²	150.3	79%	0.794	81%	0.808	S	S	*	*			trans	-47.4	115	168.8	-128	165.2	-172.4	0	0	108.2	F509 H513	F509-E511 PolarHBondContact O-N 3.32Å; E511-H513 PolarHBondContact O-N 3.06Å
512	V	29.7	Very low	29.7	Very low	126 Å²	126	149.4 Å²	149.4	76%	0.764	80%	0.799	S	S	*	*			trans	-65.2	114.7	159.4	176.2	0	0	0	0	104.7	K510 I514	K510-V512 PolarHBondContact O-N 3.29Å; K510-V512 VanDerWaalsContact O-N 3.09Å; V512-I514 VanDerWaalsContact C-N 3.3Å; V512-I514 PolarHBondContact O-N 3.1Å
513	H	24	Very low	29.8	Very low	171 Å²	171	153.7 Å²	153.7	79%	0.792	81%	0.812	S	S	*	*			trans	-60.8	92.6	178.3	-89.1	-23.7	0	0	0	110.2	E511	E511-H513 PolarHBondContact O-N 3.06Å
514	I	30.8	Very low	30.5	Very low	145 Å²	145	151.7 Å²	151.7	74%	0.744	81%	0.812	S	S	*	*			trans	-89.4	115.3	152.1	-61.2	176.5	0	0	0	104.6	V512 A516	V512-I514 VanDerWaalsContact C-N 3.3Å; V512-I514 PolarHBondContact O-N 3.1Å; I514-A516 VanDerWaalsContact C-N 3.35Å; I514-A516 PolarHBondContact O-N 3.27Å
515	V	29.4	Very low	30.8	Very low	133 Å²	133	149.4 Å²	149.4	81%	0.806	81%	0.812	S	S	*	*			trans	-62.3	97.2	176.8	176.6	0	0	0	0	108.1
516	A	27	Very low	31.1	Very low	94 Å²	94	147 Å²	147	78%	0.777	81%	0.808	S	S	*	*			trans	-92.3	112.3	171.4	0	0	0	0	0	108.6	I514	I514-A516 VanDerWaalsContact C-N 3.35Å; I514-A516 PolarHBondContact O-N 3.27Å
517	T	29.5	Very low	31.5	Very low	133 Å²	133	147 Å²	147	82%	0.816	80%	0.795	S	S	*	*			trans	-75.4	124	169.6	38.8	0	0	0	0	110.8
518	A	29.9	Very low	32.9	Very low	97 Å²	97	141.1 Å²	141.1	80%	0.802	79%	0.785	S	S	*	*			trans	20.1	113.1	158.2	0	0	0	0	0	119.2
519	R	28.7	Very low	33.9	Very low	259 Å²	259	137.7 Å²	137.7	98%	0.977	77%	0.774	S	S	*	*			trans	-63.2	128.5	151.8	-93.6	178.4	170.1	161.9	-1.7	109.4
520	S	26.5	Very low	34.9	Very low	116 Å²	116	133.4 Å²	133.4	81%	0.811	76%	0.757	S	S	*	*			trans	-110.7	127.6	157	69.2	0	0	0	0	110
521	E	34.3	Very low	36.1	Very low	199 Å²	199	131.4 Å²	131.4	93%	0.93	74%	0.744	S	S	*	*			trans	-62.3	144.6	161.5	-62.3	178.1	151.7	0	0	110.1
522	G	27.9	Very low	37.4	Very low	63 Å²	63	128.6 Å²	128.6	65%	0.649	73%	0.734	S	S	*	*			trans	170.1	103.8	169.7	0	0	0	0	0	111.3
523	V	28.8	Very low	38.7	Very low	151 Å²	151	128.8 Å²	128.8	92%	0.915	73%	0.725	S	S	*	*				93.3	128	86.3	170.8	0	0	0	0	111.3
524	S	41.5	Very low	40.5	Very low	125 Å²	125	122.9 Å²	122.9	87%	0.874	70%	0.699	S	S	*	*			trans	-60.4	141.5	179.6	165.6	0	0	0	0	114.5
525	G	35.2	Very low	42	Very low	67 Å²	67	120.6 Å²	120.6	69%	0.691	69%	0.688	S	S	*	*			trans	146	140.5	163.5	0	0	0	0	0	111.9
526	N	39	Very low	43.5	Very low	141 Å²	141	119.8 Å²	119.8	75%	0.754	68%	0.676	S	S	*	*			cis	-162.6	134	7.2	-125.7	-10	0	0	0	108.4	S528	N526-S528 VanDerWaalsContact C-N 3.28Å; N526-S528 PolarHBondContact O-N 3.15Å; N526-S528 VanDerWaalsContact O-N 3.1Å
527	P	45.9	Very low	45.2	Very low	71 Å²	71	119.1 Å²	119.1	46%	0.461	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	19.8	-170.8	31.8	-36.3	0	0	0	116
528	S	56.9	Low	47	Very low	83 Å²	83	114.3 Å²	114.3	58%	0.58	63%	0.631	S	S	*	*	H	α-helix	trans	-89.7	-26.4	-170.1	69.8	0	0	0	0	114.9	N526 L532	N526-S528 VanDerWaalsContact C-N 3.28Å; N526-S528 PolarHBondContact O-N 3.15Å; N526-S528 VanDerWaalsContact O-N 3.1Å; S528-L532 PolarHBondContact O-N 3.5Å
529	Y	53.2	Low	48.6	Very low	181 Å²	181	113.1 Å²	113.1	71%	0.71	61%	0.613	S	S	*	*	H	α-helix	trans	-78.9	-36.4	-171.9	-158.3	-98	0	0	0	113.4	R531 L532 F533	Y529-R531 VanDerWaalsContact C-N 3.32Å; Y529-R531 PolarHBondContact O-N 3.46Å; Y529-L532 PolarHBondContact O-N 2.82Å; Y529-F533 PolarHBondContact O-N 2.89Å
530	I	57.3	Low	50.3	Low	72 Å²	72	103.8 Å²	103.8	37%	0.369	59%	0.585	S	S	.	*	H	α-helix	trans	-64.4	-39.1	178.7	-66.3	168	0	0	0	110.9	F533 L534 C587	I530-F533 PolarHBondContact O-N 3.32Å; I530-L534 HydrophobicContact CG2-CD1 4.02Å; I530-L534 PolarHBondContact O-N 3.09Å; I530-C587 WeakPolarHBondContact CD1-OXT 3.17Å; I530-C587 HydrophobicContact CG2-CB 4.35Å
531	R	54.8	Low	52.5	Low	162 Å²	162	100.8 Å²	100.8	61%	0.611	56%	0.558	S	S	*	*	H	α-helix	trans	-64.6	-39.4	175.8	-74.3	-176.6	177.7	-174.1	-1.2	112.3	Y529 L535	Y529-R531 VanDerWaalsContact C-N 3.32Å; Y529-R531 PolarHBondContact O-N 3.46Å; R531-L535 WeakPolarHBondContact O-CB 3.31Å; R531-L535 PolarHBondContact O-N 2.89Å; R531-L535 VanDerWaalsContact O-N 3.09Å
532	L	54.3	Low	54.2	Low	112 Å²	112	96 Å²	96	59%	0.586	53%	0.534	S	S	*	.	H	α-helix	trans	-68.5	-40.5	179.2	-163.6	73.5	0	0	0	111.7	S528 Y529 L535 M536	S528-L532 PolarHBondContact O-N 3.5Å; Y529-L532 PolarHBondContact O-N 2.82Å; L532-L535 PolarHBondContact O-N 3Å; L532-M536 WeakPolarHBondContact O-CG 3.15Å; L532-M536 PolarHBondContact O-N 3.49Å
533	F	59	Low	55.9	Low	130 Å²	130	98.4 Å²	98.4	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-65.6	-41.8	177.2	179.9	-101.4	0	0	0	112.9	Y529 I530 M536 N537	Y529-F533 PolarHBondContact O-N 2.89Å; I530-F533 PolarHBondContact O-N 3.32Å; F533-M536 PolarHBondContact O-N 3.35Å; F533-N537 WeakPolarHBondContact CE1-ND2 3.08Å; F533-N537 WeakPolarHBondContact CE2-ND2 3.42Å; F533-N537 WeakPolarHBondContact CZ-ND2 3.12Å; F533-N537 PolarHBondContact O-N 3.41Å
534	L	61.2	Low	57.5	Low	46 Å²	46	96.1 Å²	96.1	24%	0.241	51%	0.513	C	S	.	.	H	α-helix	trans	-64.2	-45.6	175.4	-83.6	159.9	0	0	0	111.4	I530 M536 N537 T538 C582	I530-L534 HydrophobicContact CG2-CD1 4.02Å; I530-L534 PolarHBondContact O-N 3.09Å; L534-M536 VanDerWaalsContact C-N 3.33Å; L534-M536 PolarHBondContact O-N 3.32Å; L534-N537 PolarHBondContact O-N 3.44Å; L534-T538 WeakPolarHBondContact O-CB 3.36Å; L534-T538 PolarHBondContact O-N 3.41Å; L534-T538 PolarHBondContact O-OG1 2.87Å; L534-C582 HydrophobicContact CD1-CB 4.24Å; L534-C582 VanDerWaalsContact CD1-SG 3.6Å
535	L	61.5	Low	58.8	Low	97 Å²	97	91.1 Å²	91.1	51%	0.508	48%	0.477	S	S	.	.	H	α-helix	trans	-58.3	-44.2	176.7	-110.1	137.1	0	0	0	112.1	R531 L532 T539	R531-L535 WeakPolarHBondContact O-CB 3.31Å; R531-L535 PolarHBondContact O-N 2.89Å; R531-L535 VanDerWaalsContact O-N 3.09Å; L532-L535 PolarHBondContact O-N 3Å; L535-T539 WeakPolarHBondContact O-CB 3.36Å; L535-T539 PolarHBondContact O-N 3.26Å; L535-T539 PolarHBondContact O-OG1 3.37Å
536	M	60.6	Low	60.3	Low	116 Å²	116	90.4 Å²	90.4	57%	0.571	46%	0.464	S	S	*	.	H	α-helix	trans	-65.3	-43.2	179	-78.6	-64.7	-56.5	0	0	112.9	L532 F533 L534 T539 T540	L532-M536 WeakPolarHBondContact O-CG 3.15Å; L532-M536 PolarHBondContact O-N 3.49Å; F533-M536 PolarHBondContact O-N 3.35Å; L534-M536 VanDerWaalsContact C-N 3.33Å; L534-M536 PolarHBondContact O-N 3.32Å; M536-T539 PolarHBondContact O-N 2.93Å; M536-T540 WeakPolarHBondContact O-CB 3.49Å; M536-T540 PolarHBondContact O-N 2.92Å; M536-T540 PolarHBondContact O-OG1 3.45Å
537	N	62.8	Low	61.5	Low	80 Å²	80	87.3 Å²	87.3	43%	0.428	45%	0.45	S	S	.	.	H	α-helix	trans	-69.8	-40.7	178.7	-88.4	-42.4	0	0	0	112.6	F533 L534 T539 T540 F541	F533-N537 WeakPolarHBondContact CE1-ND2 3.08Å; F533-N537 WeakPolarHBondContact CE2-ND2 3.42Å; F533-N537 WeakPolarHBondContact CZ-ND2 3.12Å; F533-N537 PolarHBondContact O-N 3.41Å; L534-N537 PolarHBondContact O-N 3.44Å; N537-T539 VanDerWaalsContact C-N 3.33Å; N537-T539 PolarHBondContact O-N 2.94Å; N537-T540 PolarHBondContact O-N 3.41Å; N537-F541 WeakPolarHBondContact O-CB 3.35Å; N537-F541 PolarHBondContact O-N 2.72Å
538	T	68.3	Low	62.3	Low	33 Å²	33	87.8 Å²	87.8	20%	0.202	45%	0.448	C	S	.	.	H	α-helix	trans	-63.3	-41.5	175.5	-56.3	0	0	0	0	110.9	L534 F541 F542	L534-T538 WeakPolarHBondContact O-CB 3.36Å; L534-T538 PolarHBondContact O-N 3.41Å; L534-T538 PolarHBondContact O-OG1 2.87Å; T538-F541 PolarHBondContact O-N 3.03Å; T538-F542 HydrophobicContact CG2-CD2 3.79Å; T538-F542 HydrophobicContact CG2-CE2 3.49Å; T538-F542 VanDerWaalsContact CG2-CE2 3.49Å; T538-F542 WeakPolarHBondContact O-CD2 3.3Å; T538-F542 PolarHBondContact O-N 3.49Å; T538-F542 VanDerWaalsContact O-N 3.07Å
539	T	64	Low	62.7	Low	72 Å²	72	86 Å²	86	44%	0.442	43%	0.432	S	S	.	.	H	α-helix	trans	-65.3	-41.4	177.6	-50.2	0	0	0	0	111.7	L535 M536 N537 F542 L543	L535-T539 WeakPolarHBondContact O-CB 3.36Å; L535-T539 PolarHBondContact O-N 3.26Å; L535-T539 PolarHBondContact O-OG1 3.37Å; M536-T539 PolarHBondContact O-N 2.93Å; N537-T539 VanDerWaalsContact C-N 3.33Å; N537-T539 PolarHBondContact O-N 2.94Å; T539-F542 PolarHBondContact O-N 2.89Å; T539-L543 HydrophobicContact CG2-CD1 4.43Å; T539-L543 PolarHBondContact O-N 3.08Å
540	T	63.7	Low	63.2	Low	62 Å²	62	82.2 Å²	82.2	38%	0.38	43%	0.428	S	S	.	.	H	α-helix	trans	-66.4	-38.5	177.6	-53.1	0	0	0	0	111.7	M536 N537 L543 L544	M536-T540 WeakPolarHBondContact O-CB 3.49Å; M536-T540 PolarHBondContact O-N 2.92Å; M536-T540 PolarHBondContact O-OG1 3.45Å; N537-T540 PolarHBondContact O-N 3.41Å; T540-L543 PolarHBondContact O-N 3.4Å; T540-L544 HydrophobicContact CG2-CD1 4.15Å; T540-L544 WeakPolarHBondContact O-CG 3.2Å; T540-L544 PolarHBondContact O-N 3.19Å
541	F	72.4	Confident	63.2	Low	54 Å²	54	88.5 Å²	88.5	24%	0.237	45%	0.447	C	S	.	.	H	α-helix	trans	-61.3	-47.6	174.5	177.9	-94.2	0	0	0	111.9	N537 T538 L543 L544 L545 D571 L575	N537-F541 WeakPolarHBondContact O-CB 3.35Å; N537-F541 PolarHBondContact O-N 2.72Å; T538-F541 PolarHBondContact O-N 3.03Å; F541-L543 VanDerWaalsContact C-N 3.32Å; F541-L543 PolarHBondContact O-N 3.03Å; F541-L544 PolarHBondContact O-N 3.26Å; F541-L545 HydrophobicContact CE1-CD2 4.31Å; F541-L545 VanDerWaalsContact O-CB 3.28Å; F541-L545 WeakPolarHBondContact O-CB 3.32Å; F541-L545 PolarHBondContact O-N 2.97Å; F541-D571 HydrophobicContact CZ-CB 4.17Å; F541-L575 HydrophobicContact CD1-CD1 3.49Å; F541-L575 VanDerWaalsContact CD1-CD1 3.49Å; F541-L575 HydrophobicContact CD2-CD1 4.13Å; F541-L575 HydrophobicContact CE1-CD1 3.55Å; F541-L575 HydrophobicContact CE2-CD1 4.17Å; F541-L575 HydrophobicContact CG-CD1 3.79Å; F541-L575 HydrophobicContact CZ-CD1 3.89Å
542	F	70.1	Confident	63.4	Low	99 Å²	99	84.5 Å²	84.5	43%	0.434	43%	0.434	S	S	.	.	H	α-helix	trans	-66.1	-32.9	178.3	-77.5	-65.5	0	0	0	113.1	T538 T539 L545 A546	T538-F542 HydrophobicContact CG2-CD2 3.79Å; T538-F542 HydrophobicContact CG2-CE2 3.49Å; T538-F542 VanDerWaalsContact CG2-CE2 3.49Å; T538-F542 WeakPolarHBondContact O-CD2 3.3Å; T538-F542 PolarHBondContact O-N 3.49Å; T538-F542 VanDerWaalsContact O-N 3.07Å; T539-F542 PolarHBondContact O-N 2.89Å; F542-L545 HydrophobicContact CD1-CD2 4.23Å; F542-L545 PolarHBondContact O-N 3.18Å; F542-A546 WeakPolarHBondContact O-CB 3.47Å; F542-A546 PolarHBondContact O-N 3.24Å
543	L	64.6	Low	63.5	Low	112 Å²	112	86.2 Å²	86.2	59%	0.586	44%	0.439	S	S	*	.	H	α-helix	trans	-66	-46.7	173	-82.1	164.9	0	0	0	112.2	T539 T540 F541 L545 A546 V547	T539-L543 HydrophobicContact CG2-CD1 4.43Å; T539-L543 PolarHBondContact O-N 3.08Å; T540-L543 PolarHBondContact O-N 3.4Å; F541-L543 VanDerWaalsContact C-N 3.32Å; F541-L543 PolarHBondContact O-N 3.03Å; L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 3.2Å; L543-A546 PolarHBondContact O-N 3.18Å; L543-V547 WeakPolarHBondContact O-CG2 3.42Å; L543-V547 PolarHBondContact O-N 2.7Å
544	L	60.6	Low	63.4	Low	104 Å²	104	91.6 Å²	91.6	55%	0.545	46%	0.456	S	S	.	.	H	α-helix	trans	-64.4	-36.6	176	-72.3	168.9	0	0	0	111.5	T540 F541 V547 L548	T540-L544 HydrophobicContact CG2-CD1 4.15Å; T540-L544 WeakPolarHBondContact O-CG 3.2Å; T540-L544 PolarHBondContact O-N 3.19Å; F541-L544 PolarHBondContact O-N 3.26Å; L544-V547 PolarHBondContact O-N 3.18Å; L544-L548 WeakPolarHBondContact O-CB 3.48Å; L544-L548 PolarHBondContact O-N 2.87Å
545	L	69.6	Low	63.1	Low	19 Å²	19	92.8 Å²	92.8	10%	0.099	48%	0.48	C	S	.	.	H	α-helix	trans	-64.8	-43.2	174.8	-175.2	64.9	0	0	0	111.8	F541 F542 L543 V547 L548 L549 V568	F541-L545 HydrophobicContact CE1-CD2 4.31Å; F541-L545 VanDerWaalsContact O-CB 3.28Å; F541-L545 WeakPolarHBondContact O-CB 3.32Å; F541-L545 PolarHBondContact O-N 2.97Å; F542-L545 HydrophobicContact CD1-CD2 4.23Å; F542-L545 PolarHBondContact O-N 3.18Å; L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 3.2Å; L545-V547 VanDerWaalsContact C-N 3.34Å; L545-V547 PolarHBondContact O-N 2.94Å; L545-L548 PolarHBondContact O-N 3.01Å; L545-L549 HydrophobicContact CD1-CD1 4.3Å; L545-L549 HydrophobicContact CD1-CG 4.32Å; L545-L549 HydrophobicContact CG-CD1 3.99Å; L545-L549 HydrophobicContact CG-CG 4.39Å; L545-L549 WeakPolarHBondContact O-CB 3.46Å; L545-L549 VanDerWaalsContact O-CG 3.24Å; L545-L549 WeakPolarHBondContact O-CG 3.41Å; L545-L549 PolarHBondContact O-N 3.01Å; L545-V568 HydrophobicContact CD1-CB 4.24Å; L545-V568 HydrophobicContact CD1-CG1 3.49Å; L545-V568 VanDerWaalsContact CD1-CG1 3.49Å; L545-V568 HydrophobicContact CD1-CG2 3.65Å; L545-V568 HydrophobicContact CD2-CG1 3.62Å; L545-V568 HydrophobicContact CG-CG1 4.15Å
546	A	67.1	Low	62.9	Low	52 Å²	52	97.3 Å²	97.3	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-63	-38.8	175.4	0	0	0	0	0	112.2	F542 L543 T550	F542-A546 WeakPolarHBondContact O-CB 3.47Å; F542-A546 PolarHBondContact O-N 3.24Å; L543-A546 PolarHBondContact O-N 3.18Å; A546-T550 WeakPolarHBondContact O-CB 3.39Å; A546-T550 WeakPolarHBondContact O-CG2 3.37Å; A546-T550 PolarHBondContact O-N 3.32Å; A546-T550 PolarHBondContact O-OG1 3.36Å
547	V	63.7	Low	63.3	Low	76 Å²	76	95.4 Å²	95.4	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-67.4	-38.7	175.2	172.8	0	0	0	0	111.8	L543 L544 L545 T550 R551	L543-V547 WeakPolarHBondContact O-CG2 3.42Å; L543-V547 PolarHBondContact O-N 2.7Å; L544-V547 PolarHBondContact O-N 3.18Å; L545-V547 VanDerWaalsContact C-N 3.34Å; L545-V547 PolarHBondContact O-N 2.94Å; V547-T550 WeakPolarHBondContact CA-OG1 3.29Å; V547-T550 PolarHBondContact O-OG1 3.33Å; V547-R551 WeakPolarHBondContact O-CG 3.42Å; V547-R551 PolarHBondContact O-N 2.95Å
548	L	63.5	Low	63.1	Low	81 Å²	81	97.2 Å²	97.2	42%	0.424	50%	0.497	S	S	.	.	H	α-helix	trans	-68.3	-43.9	175.7	-86.9	156.1	0	0	0	111.8	L544 L545 R551 F552	L544-L548 WeakPolarHBondContact O-CB 3.48Å; L544-L548 PolarHBondContact O-N 2.87Å; L545-L548 PolarHBondContact O-N 3.01Å; L548-R551 PolarHBondContact O-N 3.21Å; L548-F552 HydrophobicContact CD2-CD2 4.34Å; L548-F552 HydrophobicContact CD2-CE2 4.17Å; L548-F552 WeakPolarHBondContact O-CB 3.21Å; L548-F552 WeakPolarHBondContact O-CD2 3.49Å; L548-F552 PolarHBondContact O-N 2.87Å
549	L	64.4	Low	62.7	Low	47 Å²	47	102.7 Å²	102.7	25%	0.246	52%	0.52	C	S	.	.	H	α-helix	trans	-67.2	-37.2	179.7	-72.2	176.9	0	0	0	113	L545 F552 F564 Y565	L545-L549 HydrophobicContact CD1-CD1 4.3Å; L545-L549 HydrophobicContact CD1-CG 4.32Å; L545-L549 HydrophobicContact CG-CD1 3.99Å; L545-L549 HydrophobicContact CG-CG 4.39Å; L545-L549 WeakPolarHBondContact O-CB 3.46Å; L545-L549 VanDerWaalsContact O-CG 3.24Å; L545-L549 WeakPolarHBondContact O-CG 3.41Å; L545-L549 PolarHBondContact O-N 3.01Å; L549-F552 PolarHBondContact O-N 3.44Å; L549-F564 HydrophobicContact CD2-CE1 4.13Å; L549-Y565 HydrophobicContact CD2-CD1 4.08Å; L549-Y565 HydrophobicContact CD2-CE1 3.36Å
550	T	63.5	Low	62.5	Low	101 Å²	101	102.6 Å²	102.6	62%	0.62	52%	0.519	S	S	*	.	H	α-helix	trans	-69	-32.1	174.3	46.6	0	0	0	0	112.6	A546 V547	A546-T550 WeakPolarHBondContact O-CB 3.39Å; A546-T550 WeakPolarHBondContact O-CG2 3.37Å; A546-T550 PolarHBondContact O-N 3.32Å; A546-T550 PolarHBondContact O-OG1 3.36Å; V547-T550 WeakPolarHBondContact CA-OG1 3.29Å; V547-T550 PolarHBondContact O-OG1 3.33Å
551	R	58.6	Low	62.4	Low	203 Å²	203	101.9 Å²	101.9	77%	0.766	51%	0.512	S	S	*	.	H	α-helix	trans	-79.2	-29	174	-73.8	-170	176.1	-166.3	0.9	113.8	V547 L548	V547-R551 WeakPolarHBondContact O-CG 3.42Å; V547-R551 PolarHBondContact O-N 2.95Å; L548-R551 PolarHBondContact O-N 3.21Å
552	F	59	Low	62	Low	79 Å²	79	107.5 Å²	107.5	35%	0.346	53%	0.531	S	S	.	.	H	α-helix	trans	-82.4	-5.4	-177.9	-101.2	-93.1	0	0	0	115.4	L548 L549 R554 Q561	L548-F552 HydrophobicContact CD2-CD2 4.34Å; L548-F552 HydrophobicContact CD2-CE2 4.17Å; L548-F552 WeakPolarHBondContact O-CB 3.21Å; L548-F552 WeakPolarHBondContact O-CD2 3.49Å; L548-F552 PolarHBondContact O-N 2.87Å; L549-F552 PolarHBondContact O-N 3.44Å; F552-R554 PolarHBondContact O-N 2.98Å; F552-Q561 PolarHBondContact O-NE2 2.8Å
553	Q	55.9	Low	61.6	Low	147 Å²	147	106.2 Å²	106.2	69%	0.687	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-17	173.6	-81.6	-173.9	-16.8	0	0	113.7
554	R	55.7	Low	61.6	Low	243 Å²	243	103.3 Å²	103.3	92%	0.917	52%	0.516	S	S	*	.	S	Bend	trans	-101.6	98.7	177.5	-92.6	178.7	171.1	168.7	-2.2	111.7	F552	F552-R554 PolarHBondContact O-N 2.98Å
555	G	55.8	Low	61.8	Low	72 Å²	72	103 Å²	103	74%	0.742	51%	0.508	S	S	*	.	S	Bend	trans	103	34.1	142.3	0	0	0	0	0	119.5
556	R	57.6	Low	61.6	Low	191 Å²	191	106 Å²	106	72%	0.721	53%	0.528	S	S	*	.			trans	-142.3	159.1	165.5	-75.9	-167.9	174.4	171.5	-2.1	113.7
557	S	68.1	Low	61.5	Low	76 Å²	76	108.3 Å²	108.3	53%	0.531	53%	0.532	S	S	.	.			trans	-60.8	149.5	-168.2	85.7	0	0	0	0	114	H559 T560 Q561	S557-H559 PolarHBondContact O-N 2.8Å; S557-T560 PolarHBondContact O-N 3.41Å; S557-T560 VanDerWaalsContact O-N 3.08Å; S557-Q561 PolarHBondContact O-N 3.46Å
558	L	59.7	Low	61.7	Low	119 Å²	119	105.7 Å²	105.7	62%	0.623	52%	0.516	S	S	*	.	H	α-helix	trans	-51.3	-30.5	-178	-110	148.3	0	0	0	114	R562	L558-R562 WeakPolarHBondContact O-CG 3.21Å; L558-R562 PolarHBondContact O-N 3.38Å; L558-R562 VanDerWaalsContact O-N 3.12Å
559	H	59.6	Low	61.9	Low	148 Å²	148	106.8 Å²	106.8	69%	0.685	52%	0.522	S	S	*	.	H	α-helix	trans	-75.4	-35.9	-178	-156.5	-48.8	0	0	0	112.6	S557 C563	S557-H559 PolarHBondContact O-N 2.8Å; H559-C563 PolarHBondContact O-N 3.21Å; H559-C563 VanDerWaalsContact O-N 3.14Å
560	T	58.9	Low	62.2	Low	69 Å²	69	109 Å²	109	42%	0.423	53%	0.533	S	S	.	.	H	α-helix	trans	-72.4	-36.4	176.9	-46	0	0	0	0	110.8	S557 C563 F564	S557-T560 PolarHBondContact O-N 3.41Å; S557-T560 VanDerWaalsContact O-N 3.08Å; T560-C563 PolarHBondContact O-N 2.76Å; T560-F564 WeakPolarHBondContact O-CB 3.45Å; T560-F564 PolarHBondContact O-N 2.97Å
561	Q	61.4	Low	62.2	Low	47 Å²	47	107.6 Å²	107.6	22%	0.22	52%	0.522	C	S	.	.	H	α-helix	trans	-62.2	-47.2	172.7	-74.2	-176.6	-25.4	0	0	111.5	F552 S557 C563 F564 Y565	F552-Q561 PolarHBondContact O-NE2 2.8Å; S557-Q561 PolarHBondContact O-N 3.46Å; Q561-C563 PolarHBondContact O-N 3.21Å; Q561-F564 PolarHBondContact O-N 2.83Å; Q561-Y565 HydrophobicContact CB-CD2 4.29Å; Q561-Y565 HydrophobicContact CB-CE2 3.99Å; Q561-Y565 WeakPolarHBondContact O-CD2 3.33Å; Q561-Y565 PolarHBondContact O-N 3.46Å
562	R	65.1	Low	62.6	Low	173 Å²	173	99.1 Å²	99.1	65%	0.653	49%	0.493	S	S	*	.	H	α-helix	trans	-58.8	-44.5	176.8	-75.3	176.7	179.8	-174	-0.3	112.5	L558 F564 Y565 T566	L558-R562 WeakPolarHBondContact O-CG 3.21Å; L558-R562 PolarHBondContact O-N 3.38Å; L558-R562 VanDerWaalsContact O-N 3.12Å; R562-F564 PolarHBondContact O-N 3.43Å; R562-Y565 PolarHBondContact O-N 3.43Å; R562-T566 PolarHBondContact O-N 3.39Å; R562-T566 PolarHBondContact O-OG1 3.31Å
563	C	62.1	Low	63	Low	71 Å²	71	101.8 Å²	101.8	48%	0.48	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-41.3	178.8	-157	0	0	0	0	112	H559 T560 Q561 T566 I567	H559-C563 PolarHBondContact O-N 3.21Å; H559-C563 VanDerWaalsContact O-N 3.14Å; T560-C563 PolarHBondContact O-N 2.76Å; Q561-C563 PolarHBondContact O-N 3.21Å; C563-T566 PolarHBondContact O-N 3.08Å; C563-I567 WeakPolarHBondContact O-CG1 3.46Å; C563-I567 PolarHBondContact O-N 3.2Å; C563-I567 VanDerWaalsContact O-N 3.09Å
564	F	64.8	Low	63.7	Low	51 Å²	51	98.8 Å²	98.8	22%	0.224	49%	0.493	C	S	.	.	H	α-helix	trans	-65.7	-45	176.9	-174.8	-100.8	0	0	0	112.4	L549 T560 Q561 R562 T566 I567 V568	L549-F564 HydrophobicContact CD2-CE1 4.13Å; T560-F564 WeakPolarHBondContact O-CB 3.45Å; T560-F564 PolarHBondContact O-N 2.97Å; Q561-F564 PolarHBondContact O-N 2.83Å; R562-F564 PolarHBondContact O-N 3.43Å; F564-T566 VanDerWaalsContact C-N 3.28Å; F564-T566 PolarHBondContact O-N 2.83Å; F564-I567 PolarHBondContact O-N 3.27Å; F564-V568 HydrophobicContact CD1-CG2 4.17Å; F564-V568 HydrophobicContact CE1-CG2 3.81Å; F564-V568 HydrophobicContact CZ-CG2 4.02Å; F564-V568 WeakPolarHBondContact O-CG2 3.49Å; F564-V568 PolarHBondContact O-N 2.99Å
565	Y	65.1	Low	64.2	Low	97 Å²	97	89.4 Å²	89.4	38%	0.38	46%	0.461	S	S	.	.	H	α-helix	trans	-60.5	-38.2	174.9	-72	-59.3	0	0	0	111.9	L549 Q561 R562 V568 L569	L549-Y565 HydrophobicContact CD2-CD1 4.08Å; L549-Y565 HydrophobicContact CD2-CE1 3.36Å; Q561-Y565 HydrophobicContact CB-CD2 4.29Å; Q561-Y565 HydrophobicContact CB-CE2 3.99Å; Q561-Y565 WeakPolarHBondContact O-CD2 3.33Å; Q561-Y565 PolarHBondContact O-N 3.46Å; R562-Y565 PolarHBondContact O-N 3.43Å; Y565-V568 PolarHBondContact O-N 3.45Å; Y565-L569 VanDerWaalsContact O-CB 3.25Å; Y565-L569 WeakPolarHBondContact O-CB 3.44Å; Y565-L569 PolarHBondContact O-N 2.84Å
566	T	64.8	Low	64.8	Low	82 Å²	82	91.1 Å²	91.1	50%	0.503	45%	0.452	S	S	.	.	H	α-helix	trans	-62.7	-43.1	175	-56.4	0	0	0	0	112.1	R562 C563 F564 L569 I570	R562-T566 PolarHBondContact O-N 3.39Å; R562-T566 PolarHBondContact O-OG1 3.31Å; C563-T566 PolarHBondContact O-N 3.08Å; F564-T566 VanDerWaalsContact C-N 3.28Å; F564-T566 PolarHBondContact O-N 2.83Å; T566-L569 PolarHBondContact O-N 3.48Å; T566-I570 HydrophobicContact CG2-CD1 4.13Å; T566-I570 VanDerWaalsContact O-CG1 3.3Å; T566-I570 WeakPolarHBondContact O-CG1 3.48Å; T566-I570 PolarHBondContact O-N 3.15Å
567	I	65.2	Low	65.1	Low	101 Å²	101	90.2 Å²	90.2	52%	0.518	45%	0.45	S	S	.	.	H	α-helix	trans	-64.3	-45.7	177.9	-67.5	166.5	0	0	0	110.7	C563 F564 L569 I570 D571	C563-I567 WeakPolarHBondContact O-CG1 3.46Å; C563-I567 PolarHBondContact O-N 3.2Å; C563-I567 VanDerWaalsContact O-N 3.09Å; F564-I567 PolarHBondContact O-N 3.27Å; I567-L569 VanDerWaalsContact C-N 3.27Å; I567-L569 PolarHBondContact O-N 3.24Å; I567-I570 PolarHBondContact O-N 3.13Å; I567-D571 PolarHBondContact O-N 3.48Å
568	V	66.6	Low	65	Low	22 Å²	22	91.1 Å²	91.1	13%	0.133	45%	0.448	C	S	.	.	H	α-helix	trans	-59.7	-39.4	176.7	166.9	0	0	0	0	111.8	L545 F564 Y565 D571 C572	L545-V568 HydrophobicContact CD1-CB 4.24Å; L545-V568 HydrophobicContact CD1-CG1 3.49Å; L545-V568 VanDerWaalsContact CD1-CG1 3.49Å; L545-V568 HydrophobicContact CD1-CG2 3.65Å; L545-V568 HydrophobicContact CD2-CG1 3.62Å; L545-V568 HydrophobicContact CG-CG1 4.15Å; F564-V568 HydrophobicContact CD1-CG2 4.17Å; F564-V568 HydrophobicContact CE1-CG2 3.81Å; F564-V568 HydrophobicContact CZ-CG2 4.02Å; F564-V568 WeakPolarHBondContact O-CG2 3.49Å; F564-V568 PolarHBondContact O-N 2.99Å; Y565-V568 PolarHBondContact O-N 3.45Å; V568-D571 PolarHBondContact O-N 3Å; V568-C572 PolarHBondContact O-N 3.3Å; V568-C572 PolarHBondContact O-SG 3.15Å
569	L	68.7	Low	65.3	Low	103 Å²	103	91.6 Å²	91.6	54%	0.539	44%	0.443	S	S	.	.	H	α-helix	trans	-69.2	-39.4	-178.8	-155.7	133.1	0	0	0	111	Y565 T566 I567 C572 F573	Y565-L569 VanDerWaalsContact O-CB 3.25Å; Y565-L569 WeakPolarHBondContact O-CB 3.44Å; Y565-L569 PolarHBondContact O-N 2.84Å; T566-L569 PolarHBondContact O-N 3.48Å; I567-L569 VanDerWaalsContact C-N 3.27Å; I567-L569 PolarHBondContact O-N 3.24Å; L569-C572 PolarHBondContact O-N 3.21Å; L569-F573 HydrophobicContact CD2-CD2 3.9Å; L569-F573 HydrophobicContact CD2-CE2 3.52Å; L569-F573 HydrophobicContact CG-CE2 4.36Å; L569-F573 WeakPolarHBondContact O-CD2 3.2Å; L569-F573 PolarHBondContact O-N 3.02Å; L569-F573 VanDerWaalsContact O-N 3.07Å
570	I	69.3	Low	65.3	Low	93 Å²	93	87.2 Å²	87.2	48%	0.477	43%	0.429	S	S	.	.	H	α-helix	trans	-61.9	-45	172.3	-68.1	165.7	0	0	0	110.7	T566 I567 C572 F573 I574	T566-I570 HydrophobicContact CG2-CD1 4.13Å; T566-I570 VanDerWaalsContact O-CG1 3.3Å; T566-I570 WeakPolarHBondContact O-CG1 3.48Å; T566-I570 PolarHBondContact O-N 3.15Å; I567-I570 PolarHBondContact O-N 3.13Å; I570-C572 PolarHBondContact O-N 3.23Å; I570-F573 WeakPolarHBondContact O-CB 3.14Å; I570-F573 PolarHBondContact O-N 3.13Å; I570-F573 VanDerWaalsContact O-N 3.16Å; I570-I574 HydrophobicContact CG2-CD1 3.93Å; I570-I574 WeakPolarHBondContact O-CG1 3.29Å; I570-I574 PolarHBondContact O-N 2.9Å
571	D	64.7	Low	65.2	Low	72 Å²	72	86.8 Å²	86.8	39%	0.385	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-38.6	180	-125.6	16.8	0	0	0	112	F541 I567 V568 F573 I574 L575	F541-D571 HydrophobicContact CZ-CB 4.17Å; I567-D571 PolarHBondContact O-N 3.48Å; V568-D571 PolarHBondContact O-N 3Å; D571-F573 VanDerWaalsContact C-N 3.33Å; D571-F573 PolarHBondContact O-N 3.26Å; D571-I574 PolarHBondContact O-N 3.36Å; D571-L575 WeakPolarHBondContact O-CG 3.44Å; D571-L575 PolarHBondContact O-N 3.31Å
572	C	67.5	Low	65.1	Low	25 Å²	25	85.8 Å²	85.8	17%	0.169	43%	0.426	C	S	.	.	H	α-helix	trans	-62.2	-39.9	172.6	-70.3	0	0	0	0	112.1	V568 L569 I570 L575 L576	V568-C572 PolarHBondContact O-N 3.3Å; V568-C572 PolarHBondContact O-SG 3.15Å; L569-C572 PolarHBondContact O-N 3.21Å; I570-C572 PolarHBondContact O-N 3.23Å; C572-L575 PolarHBondContact O-N 2.93Å; C572-L576 WeakPolarHBondContact O-CB 3.49Å; C572-L576 PolarHBondContact O-N 3.35Å
573	F	67	Low	64.5	Low	135 Å²	135	80.6 Å²	80.6	59%	0.592	42%	0.417	S	S	*	.	H	α-helix	trans	-66	-38.2	175.7	-88.5	-66.1	0	0	0	112.5	L569 I570 D571 L576 Y577	L569-F573 HydrophobicContact CD2-CD2 3.9Å; L569-F573 HydrophobicContact CD2-CE2 3.52Å; L569-F573 HydrophobicContact CG-CE2 4.36Å; L569-F573 WeakPolarHBondContact O-CD2 3.2Å; L569-F573 PolarHBondContact O-N 3.02Å; L569-F573 VanDerWaalsContact O-N 3.07Å; I570-F573 WeakPolarHBondContact O-CB 3.14Å; I570-F573 PolarHBondContact O-N 3.13Å; I570-F573 VanDerWaalsContact O-N 3.16Å; D571-F573 VanDerWaalsContact C-N 3.33Å; D571-F573 PolarHBondContact O-N 3.26Å; F573-L576 PolarHBondContact O-N 3.19Å; F573-Y577 VanDerWaalsContact O-CB 3.26Å; F573-Y577 WeakPolarHBondContact O-CB 3.19Å; F573-Y577 PolarHBondContact O-N 3.46Å
574	I	69.4	Low	63.9	Low	84 Å²	84	84.9 Å²	84.9	43%	0.431	43%	0.43	S	S	.	.	H	α-helix	trans	-64.8	-43.4	176	-67.3	166.9	0	0	0	110.5	I570 D571 Y577 L578	I570-I574 HydrophobicContact CG2-CD1 3.93Å; I570-I574 WeakPolarHBondContact O-CG1 3.29Å; I570-I574 PolarHBondContact O-N 2.9Å; D571-I574 PolarHBondContact O-N 3.36Å; I574-Y577 PolarHBondContact O-N 3.12Å; I574-L578 HydrophobicContact CG2-CD1 4.04Å; I574-L578 WeakPolarHBondContact O-CB 2.98Å; I574-L578 WeakPolarHBondContact O-CG 3.47Å; I574-L578 PolarHBondContact O-N 3.28Å
575	L	66.9	Low	63	Low	47 Å²	47	86.4 Å²	86.4	25%	0.246	44%	0.443	C	S	.	.	H	α-helix	trans	-66.7	-41	177.5	-73.1	169.5	0	0	0	112.8	F541 D571 C572 Y577 L578 Y579	F541-L575 HydrophobicContact CD1-CD1 3.49Å; F541-L575 VanDerWaalsContact CD1-CD1 3.49Å; F541-L575 HydrophobicContact CD2-CD1 4.13Å; F541-L575 HydrophobicContact CE1-CD1 3.55Å; F541-L575 HydrophobicContact CE2-CD1 4.17Å; F541-L575 HydrophobicContact CG-CD1 3.79Å; F541-L575 HydrophobicContact CZ-CD1 3.89Å; D571-L575 WeakPolarHBondContact O-CG 3.44Å; D571-L575 PolarHBondContact O-N 3.31Å; C572-L575 PolarHBondContact O-N 2.93Å; L575-Y577 VanDerWaalsContact C-N 3.33Å; L575-L578 PolarHBondContact O-N 2.81Å; L575-Y579 WeakPolarHBondContact O-CB 3.25Å; L575-Y579 PolarHBondContact O-N 2.8Å
576	L	68.1	Low	62.2	Low	108 Å²	108	91.1 Å²	91.1	57%	0.565	47%	0.469	S	S	*	.	H	α-helix	trans	-64.3	-37.5	173.5	-90.7	154.6	0	0	0	112.1	C572 F573 Y579 S580	C572-L576 WeakPolarHBondContact O-CB 3.49Å; C572-L576 PolarHBondContact O-N 3.35Å; F573-L576 PolarHBondContact O-N 3.19Å; L576-Y579 PolarHBondContact O-N 2.92Å; L576-S580 VanDerWaalsContact O-CB 3.23Å; L576-S580 WeakPolarHBondContact O-CB 3.48Å; L576-S580 PolarHBondContact O-N 3.31Å
577	Y	64.9	Low	61.5	Low	172 Å²	172	91.8 Å²	91.8	68%	0.675	48%	0.475	S	S	*	.	H	α-helix	trans	-67.1	-42.9	175.5	-175.3	-98	0	0	0	111.7	F573 I574 L575 S580 S581	F573-Y577 VanDerWaalsContact O-CB 3.26Å; F573-Y577 WeakPolarHBondContact O-CB 3.19Å; F573-Y577 PolarHBondContact O-N 3.46Å; I574-Y577 PolarHBondContact O-N 3.12Å; L575-Y577 VanDerWaalsContact C-N 3.33Å; Y577-S580 PolarHBondContact O-N 3.17Å; Y577-S581 WeakPolarHBondContact O-CB 3.43Å; Y577-S581 PolarHBondContact O-N 3.5Å
578	L	64.8	Low	61.3	Low	94 Å²	94	91.3 Å²	91.3	49%	0.492	47%	0.473	S	S	.	.	H	α-helix	trans	-63.2	-42.5	174.6	-74.8	166.8	0	0	0	111.8	I574 L575 C582	I574-L578 HydrophobicContact CG2-CD1 4.04Å; I574-L578 WeakPolarHBondContact O-CB 2.98Å; I574-L578 WeakPolarHBondContact O-CG 3.47Å; I574-L578 PolarHBondContact O-N 3.28Å; L575-L578 PolarHBondContact O-N 2.81Å; L578-C582 WeakPolarHBondContact O-CB 3.46Å; L578-C582 PolarHBondContact O-N 2.82Å
579	Y	65.8	Low	61	Low	129 Å²	129	94.9 Å²	94.9	51%	0.506	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-46.1	175.7	-178.3	-96.2	0	0	0	112.4	L575 L576 C582 S583	L575-Y579 WeakPolarHBondContact O-CB 3.25Å; L575-Y579 PolarHBondContact O-N 2.8Å; L576-Y579 PolarHBondContact O-N 2.92Å; Y579-C582 PolarHBondContact O-N 3.17Å; Y579-S583 PolarHBondContact O-N 2.96Å
580	S	60.5	Low	60.6	Low	57 Å²	57	94.5 Å²	94.5	40%	0.399	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-45.7	178.5	178.7	0	0	0	0	112	L576 Y577 C582 S583 H584	L576-S580 VanDerWaalsContact O-CB 3.23Å; L576-S580 WeakPolarHBondContact O-CB 3.48Å; L576-S580 PolarHBondContact O-N 3.31Å; Y577-S580 PolarHBondContact O-N 3.17Å; S580-C582 VanDerWaalsContact C-N 3.33Å; S580-C582 PolarHBondContact O-N 3.39Å; S580-S583 PolarHBondContact O-N 3.47Å; S580-S583 VanDerWaalsContact O-N 3.1Å; S580-S583 PolarHBondContact O-OG 3.4Å; S580-H584 PolarHBondContact O-N 3.42Å
581	S	57.7	Low	60.1	Low	60 Å²	60	94.6 Å²	94.6	42%	0.42	49%	0.489	S	S	.	.	H	α-helix	trans	-59.1	-43.8	175.9	-172.2	0	0	0	0	111.5	Y577 S583 H584 T585	Y577-S581 WeakPolarHBondContact O-CB 3.43Å; Y577-S581 PolarHBondContact O-N 3.5Å; S581-S583 VanDerWaalsContact C-N 3.29Å; S581-S583 PolarHBondContact O-N 2.89Å; S581-H584 PolarHBondContact O-N 3.09Å; S581-T585 PolarHBondContact O-N 3.46Å; S581-T585 PolarHBondContact O-OG1 3.17Å; S581-T585 VanDerWaalsContact O-OG1 3.11Å
582	C	57.5	Low	59.8	Low	25 Å²	25	96 Å²	96	17%	0.169	50%	0.495	C	S	.	.	H	α-helix	trans	-72	-18.5	177.8	-155.4	0	0	0	0	113.5	L534 L578 Y579 S580 T585 C587	L534-C582 HydrophobicContact CD1-CB 4.24Å; L534-C582 VanDerWaalsContact CD1-SG 3.6Å; L578-C582 WeakPolarHBondContact O-CB 3.46Å; L578-C582 PolarHBondContact O-N 2.82Å; Y579-C582 PolarHBondContact O-N 3.17Å; S580-C582 VanDerWaalsContact C-N 3.33Å; S580-C582 PolarHBondContact O-N 3.39Å; C582-T585 VanDerWaalsContact O-O 3.09Å; C582-C587 WeakPolarHBondContact SG-CB 3.47Å; C582-C587 PolarHBondContact SG-SG 2.99Å
583	S	53.8	Low	59.2	Low	64 Å²	64	100.7 Å²	100.7	45%	0.448	52%	0.517	S	S	.	.	H	α-helix	trans	-81.8	-26.7	174.1	84.8	0	0	0	0	113.5	Y579 S580 S581	Y579-S583 PolarHBondContact O-N 2.96Å; S580-S583 PolarHBondContact O-N 3.47Å; S580-S583 VanDerWaalsContact O-N 3.1Å; S580-S583 PolarHBondContact O-OG 3.4Å; S581-S583 VanDerWaalsContact C-N 3.29Å; S581-S583 PolarHBondContact O-N 2.89Å
584	H	49.4	Very low	58.7	Low	162 Å²	162	98.3 Å²	98.3	75%	0.75	51%	0.512	S	S	*	.	H	α-helix	trans	-93.4	-22.7	-175.8	-89.9	-72.5	0	0	0	114.4	S580 S581	S580-H584 PolarHBondContact O-N 3.42Å; S581-H584 PolarHBondContact O-N 3.09Å
585	T	45.4	Very low	57.9	Low	82 Å²	82	99.4 Å²	99.4	50%	0.503	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	134.1	171.7	50.6	0	0	0	0	109.1	S581 C582 C587	S581-T585 PolarHBondContact O-N 3.46Å; S581-T585 PolarHBondContact O-OG1 3.17Å; S581-T585 VanDerWaalsContact O-OG1 3.11Å; C582-T585 VanDerWaalsContact O-O 3.09Å; T585-C587 VanDerWaalsContact C-N 3.34Å; T585-C587 PolarHBondContact O-N 3.36Å
586	Q	48.5	Very low	57.1	Low	197 Å²	197	103.8 Å²	103.8	92%	0.921	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	100.6	168.3	-79.8	180	-23.6	0	0	108.4
587	C	49.1	Very low	56.1	Low	95 Å²	95	103.4 Å²	103.4	64%	0.642	54%	0.538	S	S	*	.			trans	-84.7	0	164.7	-79.9	0	0	0	0	109.7	I530 C582 T585	I530-C587 WeakPolarHBondContact CD1-OXT 3.17Å; I530-C587 HydrophobicContact CG2-CB 4.35Å; C582-C587 WeakPolarHBondContact SG-CB 3.47Å; C582-C587 PolarHBondContact SG-SG 2.99Å; T585-C587 VanDerWaalsContact C-N 3.34Å; T585-C587 PolarHBondContact O-N 3.36Å

Retrieved 587 of 587 residues in 748.4 ms (Link to these results)

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