A0A077ZJB7_TRITR Loading...

Tissue factor pathway inhibitor 2

AlphaFold DB , UniProt , Accession A0A077ZJB7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 727 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	22.1	Very low	31.5	Very low	191 Å²	191	47.1 Å²	47.1	94%	0.941	25%	0.252	S	S	*	.				0	28.1	0	-80.4	-179.5	-176.9	0	0	113.1
2	H	23.4	Very low	32.1	Very low	100 Å²	100	45.6 Å²	45.6	46%	0.463	24%	0.24	S	C	.	.			trans	-117.2	85.3	174.9	-64	-66.1	0	0	0	109.1
3	D	28.3	Very low	32.4	Very low	87 Å²	87	48.1 Å²	48.1	47%	0.465	25%	0.248	S	C	.	.			trans	-106.4	113	164.7	-72.5	-49	0	0	0	106.8	V5 K13	D3-V5 VanDerWaalsContact O-CG2 3.28Å; D3-V5 WeakPolarHBondContact O-CG2 3.43Å; D3-K13 IonicContact OD1-NZ 3.3Å; D3-K13 PolarHBondContact OD1-NZ 2.93Å
4	I	28.8	Very low	32.7	Very low	39 Å²	39	49.6 Å²	49.6	20%	0.2	25%	0.249	C	C	.	.			trans	-63.3	144.4	167.7	-57.2	173.3	0	0	0	105.2	A9 Y12	I4-A9 HydrophobicContact CB-CB 3.96Å; I4-A9 HydrophobicContact CG2-CB 3.7Å; I4-A9 WeakPolarHBondContact O-CB 3.43Å; I4-Y12 HydrophobicContact CG2-CD2 4.16Å; I4-Y12 HydrophobicContact CG2-CG 4.08Å
5	V	34	Very low	33.1	Very low	17 Å²	17	46.9 Å²	46.9	10%	0.103	24%	0.236	C	C	.	.			trans	-125.3	125.1	-172.6	-168	0	0	0	0	110.5	D3 I142 L236 C300	D3-V5 VanDerWaalsContact O-CG2 3.28Å; D3-V5 WeakPolarHBondContact O-CG2 3.43Å; V5-I142 HydrophobicContact CB-CD1 3.97Å; V5-L236 VanDerWaalsContact C-CD1 3.48Å; V5-L236 HydrophobicContact CB-CD1 4.19Å; V5-L236 HydrophobicContact CG1-CD1 3.46Å; V5-L236 VanDerWaalsContact CG1-CD1 3.46Å; V5-L236 HydrophobicContact CG1-CD2 3.66Å; V5-L236 HydrophobicContact CG1-CG 4.19Å; V5-C300 HydrophobicContact CB-CB 4.16Å; V5-C300 VanDerWaalsContact CB-SG 3.52Å; V5-C300 HydrophobicContact CG1-CB 3.3Å; V5-C300 WeakPolarHBondContact CG1-SG 3.38Å; V5-C300 HydrophobicContact CG2-CB 4.21Å; V5-C300 VanDerWaalsContact CG2-SG 3.53Å
6	G	32.4	Very low	33.7	Very low	8 Å²	8	45.7 Å²	45.7	8%	0.082	23%	0.228	C	C	.	.	S	Bend	trans	164.4	158.1	-174.7	0	0	0	0	0	109.4	Y8 A9 L236 R303	G6-Y8 PolarHBondContact O-N 3.34Å; G6-Y8 VanDerWaalsContact O-N 3.08Å; G6-A9 VanDerWaalsContact O-CB 3.28Å; G6-A9 WeakPolarHBondContact O-CB 3.3Å; G6-A9 PolarHBondContact O-N 2.88Å; G6-L236 VanDerWaalsContact CA-CD1 3.46Å; G6-L236 VanDerWaalsContact N-CD1 3.35Å; G6-R303 VanDerWaalsContact N-NH2 3.12Å; G6-R303 PolarHBondContact O-NE 3.08Å; G6-R303 PolarHBondContact O-NH1 3.01Å; G6-R303 PolarHBondContact O-NH2 3.44Å; G6-R303 VanDerWaalsContact O-NH2 3.1Å
7	P	32.1	Very low	33.9	Very low	16 Å²	16	50.9 Å²	50.9	10%	0.104	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.6	172.5	24	-34.3	0	0	0	111	L236	P7-L236 WeakPolarHBondContact CD-O 3.38Å
8	Y	35.9	Very low	33.9	Very low	30 Å²	30	52.6 Å²	52.6	12%	0.118	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	13.5	171.8	-58.3	-65.3	0	0	0	113.6	G6 V11 Y12 C423 I427 L520	G6-Y8 PolarHBondContact O-N 3.34Å; G6-Y8 VanDerWaalsContact O-N 3.08Å; Y8-V11 HydrophobicContact CD1-CG2 4Å; Y8-V11 CarbonylContact O-C 3.6Å; Y8-V11 WeakPolarHBondContact O-CA 3.38Å; Y8-V11 WeakPolarHBondContact O-CB 3.42Å; Y8-V11 PolarHBondContact O-N 2.87Å; Y8-Y12 WeakPolarHBondContact O-CD2 3.38Å; Y8-Y12 PolarHBondContact O-N 2.87Å; Y8-C423 WeakPolarHBondContact CE1-O 3.38Å; Y8-I427 HydrophobicContact CD1-CD1 3.35Å; Y8-I427 HydrophobicContact CD1-CG1 4.28Å; Y8-I427 HydrophobicContact CE1-CD1 3.45Å; Y8-I427 VanDerWaalsContact CE1-CD1 3.45Å; Y8-I427 HydrophobicContact CE1-CG1 3.87Å; Y8-I427 HydrophobicContact CE1-CG2 3.99Å; Y8-I427 HydrophobicContact CE2-CG2 4.39Å; Y8-I427 HydrophobicContact CG-CD1 4.12Å; Y8-L520 HydrophobicContact CD1-CD1 4.47Å; Y8-L520 HydrophobicContact CD2-CD1 3.68Å; Y8-L520 HydrophobicContact CE2-CD1 4.22Å; Y8-L520 HydrophobicContact CG-CD1 3.8Å
9	A	36	Very low	34	Very low	1 Å²	1	51.1 Å²	51.1	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-85.3	-22.4	-178.6	0	0	0	0	0	116	I4 G6 Y12 K13	I4-A9 HydrophobicContact CB-CB 3.96Å; I4-A9 HydrophobicContact CG2-CB 3.7Å; I4-A9 WeakPolarHBondContact O-CB 3.43Å; G6-A9 VanDerWaalsContact O-CB 3.28Å; G6-A9 WeakPolarHBondContact O-CB 3.3Å; G6-A9 PolarHBondContact O-N 2.88Å; A9-Y12 HydrophobicContact CB-CD2 4.32Å; A9-Y12 PolarHBondContact O-N 3.06Å; A9-K13 PolarHBondContact O-N 3.42Å
10	G	36.2	Very low	33.9	Very low	26 Å²	26	53.1 Å²	53.1	27%	0.268	28%	0.275	S	S	.	.	H	α-helix	trans	-53.3	-45.3	151	0	0	0	0	0	109.7	W14	G10-W14 WeakPolarHBondContact O-CB 3.18Å; G10-W14 PolarHBondContact O-N 3.09Å
11	V	37.5	Very low	34.4	Very low	3 Å²	3	55.9 Å²	55.9	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-38	176.3	-172.4	0	0	0	0	112.4	Y8 W14 L15 L25 T419 Q424 I427	Y8-V11 HydrophobicContact CD1-CG2 4Å; Y8-V11 CarbonylContact O-C 3.6Å; Y8-V11 WeakPolarHBondContact O-CA 3.38Å; Y8-V11 WeakPolarHBondContact O-CB 3.42Å; Y8-V11 PolarHBondContact O-N 2.87Å; V11-W14 CarbonylContact O-C 3.4Å; V11-W14 PolarHBondContact O-N 3.09Å; V11-L15 HydrophobicContact CG1-CD1 3.84Å; V11-L15 HydrophobicContact CG1-CG 3.97Å; V11-L15 VanDerWaalsContact O-CA 3.31Å; V11-L15 WeakPolarHBondContact O-CA 3.46Å; V11-L15 WeakPolarHBondContact O-CB 3.26Å; V11-L15 WeakPolarHBondContact O-CD1 3.5Å; V11-L15 WeakPolarHBondContact O-CG 3.33Å; V11-L15 PolarHBondContact O-N 2.94Å; V11-L25 HydrophobicContact CG1-CD1 4.09Å; V11-L25 HydrophobicContact CG1-CD2 4.47Å; V11-T419 HydrophobicContact CG2-CG2 4.41Å; V11-Q424 HydrophobicContact CG2-CG 4.34Å; V11-I427 HydrophobicContact CG1-CD1 4.26Å
12	Y	38.3	Very low	35.8	Very low	29 Å²	29	48.8 Å²	48.8	11%	0.114	25%	0.249	C	C	.	.	H	α-helix	trans	-68	-48.5	176.9	-74.6	-77.2	0	0	0	112	I4 Y8 A9 W14 L15 Y16 I28 P34	I4-Y12 HydrophobicContact CG2-CD2 4.16Å; I4-Y12 HydrophobicContact CG2-CG 4.08Å; Y8-Y12 WeakPolarHBondContact O-CD2 3.38Å; Y8-Y12 PolarHBondContact O-N 2.87Å; A9-Y12 HydrophobicContact CB-CD2 4.32Å; A9-Y12 PolarHBondContact O-N 3.06Å; Y12-W14 VanDerWaalsContact C-N 3.25Å; Y12-W14 PolarHBondContact O-N 3.07Å; Y12-L15 HydrophobicContact CD1-CD1 4.17Å; Y12-L15 WeakPolarHBondContact O-CB 3.08Å; Y12-L15 PolarHBondContact O-N 3.14Å; Y12-Y16 HydrophobicContact CD1-CE2 4.48Å; Y12-Y16 WeakPolarHBondContact O-CD2 3.39Å; Y12-Y16 PolarHBondContact O-N 3.03Å; Y12-I28 HydrophobicContact CD1-CD1 4.48Å; Y12-I28 HydrophobicContact CE1-CD1 3.32Å; Y12-I28 VanDerWaalsContact OH-CD1 3.25Å; Y12-I28 WeakPolarHBondContact OH-CD1 3.48Å; Y12-P34 HydrophobicContact CE1-CG 4.39Å
13	K	36	Very low	37.6	Very low	78 Å²	78	51.6 Å²	51.6	34%	0.339	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-35.6	176.3	-169.4	179.8	-177.6	-177.7	0	111.5	D3 A9 K17	D3-K13 IonicContact OD1-NZ 3.3Å; D3-K13 PolarHBondContact OD1-NZ 2.93Å; A9-K13 PolarHBondContact O-N 3.42Å; K13-K17 HydrophobicContact CG-CD 4.43Å; K13-K17 VanDerWaalsContact O-CB 3.23Å; K13-K17 WeakPolarHBondContact O-CB 3.43Å; K13-K17 WeakPolarHBondContact O-CG 3.07Å; K13-K17 PolarHBondContact O-N 3.2Å
14	W	36.8	Very low	39.4	Very low	70 Å²	70	49.3 Å²	49.3	27%	0.265	25%	0.25	S	C	.	.	H	α-helix	trans	-75.8	-35.4	177.2	-173.1	96.9	0	0	0	112	G10 V11 Y12 Y16 K17 T18 A19 R22	G10-W14 WeakPolarHBondContact O-CB 3.18Å; G10-W14 PolarHBondContact O-N 3.09Å; V11-W14 CarbonylContact O-C 3.4Å; V11-W14 PolarHBondContact O-N 3.09Å; Y12-W14 VanDerWaalsContact C-N 3.25Å; Y12-W14 PolarHBondContact O-N 3.07Å; W14-Y16 VanDerWaalsContact C-N 3.28Å; W14-Y16 PolarHBondContact O-N 3.14Å; W14-K17 PolarHBondContact O-N 3.05Å; W14-T18 WeakPolarHBondContact CA-OG1 3.24Å; W14-T18 VanDerWaalsContact CD2-OG1 3.3Å; W14-T18 VanDerWaalsContact CE2-OG1 3.27Å; W14-T18 PolarHBondContact NE1-OG1 3.01Å; W14-T18 PolarHBondContact O-N 3.13Å; W14-T18 PolarHBondContact O-OG1 3.16Å; W14-A19 HydrophobicContact CH2-CB 3.97Å; W14-R22 VanDerWaalsContact CH2-CD 3.46Å; W14-R22 HydrophobicContact CH2-CG 3.9Å; W14-R22 HydrophobicContact CZ3-CG 3.73Å
15	L	39.2	Very low	41.6	Very low	9 Å²	9	47.8 Å²	47.8	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-40.6	176.5	-99.7	163.3	0	0	0	111.6	V11 Y12 L25 N114	V11-L15 HydrophobicContact CG1-CD1 3.84Å; V11-L15 HydrophobicContact CG1-CG 3.97Å; V11-L15 VanDerWaalsContact O-CA 3.31Å; V11-L15 WeakPolarHBondContact O-CA 3.46Å; V11-L15 WeakPolarHBondContact O-CB 3.26Å; V11-L15 WeakPolarHBondContact O-CD1 3.5Å; V11-L15 WeakPolarHBondContact O-CG 3.33Å; V11-L15 PolarHBondContact O-N 2.94Å; Y12-L15 HydrophobicContact CD1-CD1 4.17Å; Y12-L15 WeakPolarHBondContact O-CB 3.08Å; Y12-L15 PolarHBondContact O-N 3.14Å; L15-L25 HydrophobicContact CD1-CD1 4.2Å; L15-L25 HydrophobicContact CD2-CB 4.04Å; L15-L25 HydrophobicContact CD2-CD1 3.13Å; L15-L25 HydrophobicContact CD2-CG 4.16Å; L15-L25 HydrophobicContact CG-CD1 3.57Å; L15-N114 PolarHBondContact O-OD1 2.8Å
16	Y	42	Very low	44	Very low	27 Å²	27	47.1 Å²	47.1	11%	0.106	24%	0.238	C	C	.	.	H	α-helix	trans	-96.3	-12.5	-176.9	-71.1	-74.6	0	0	0	113.5	Y12 W14 Y35 D106 R110 V113	Y12-Y16 HydrophobicContact CD1-CE2 4.48Å; Y12-Y16 WeakPolarHBondContact O-CD2 3.39Å; Y12-Y16 PolarHBondContact O-N 3.03Å; W14-Y16 VanDerWaalsContact C-N 3.28Å; W14-Y16 PolarHBondContact O-N 3.14Å; Y16-Y35 HydrophobicContact CE2-CE1 4.38Å; Y16-Y35 WeakPolarHBondContact OH-CE1 3.46Å; Y16-Y35 PolarHBondContact OH-OH 3.23Å; Y16-D106 PolarHBondContact OH-OD1 2.98Å; Y16-R110 HydrophobicContact CD1-CG 4.26Å; Y16-R110 HydrophobicContact CE1-CB 4.32Å; Y16-R110 HydrophobicContact CE1-CG 3.5Å; Y16-V113 HydrophobicContact CD1-CB 3.83Å; Y16-V113 HydrophobicContact CD1-CG1 3.71Å; Y16-V113 HydrophobicContact CD1-CG2 3.9Å; Y16-V113 HydrophobicContact CE1-CB 4.46Å; Y16-V113 HydrophobicContact CE1-CG2 4.19Å; Y16-V113 HydrophobicContact CG-CG1 4.31Å; Y16-V113 WeakPolarHBondContact O-CG1 3.46Å
17	K	37	Very low	46.6	Very low	135 Å²	135	47.7 Å²	47.7	59%	0.587	24%	0.24	S	C	*	.	H	α-helix	trans	-113.7	-25.6	-176.3	-72.7	-164.7	172.6	-164.2	0	117	K13 W14	K13-K17 HydrophobicContact CG-CD 4.43Å; K13-K17 VanDerWaalsContact O-CB 3.23Å; K13-K17 WeakPolarHBondContact O-CB 3.43Å; K13-K17 WeakPolarHBondContact O-CG 3.07Å; K13-K17 PolarHBondContact O-N 3.2Å; W14-K17 PolarHBondContact O-N 3.05Å
18	T	33.5	Very low	49.3	Very low	81 Å²	81	47 Å²	47	50%	0.497	24%	0.236	S	C	.	.	S	Bend	trans	-123.8	3.8	-160.2	38.4	0	0	0	0	117.3	W14	W14-T18 WeakPolarHBondContact CA-OG1 3.24Å; W14-T18 VanDerWaalsContact CD2-OG1 3.3Å; W14-T18 VanDerWaalsContact CE2-OG1 3.27Å; W14-T18 PolarHBondContact NE1-OG1 3.01Å; W14-T18 PolarHBondContact O-N 3.13Å; W14-T18 PolarHBondContact O-OG1 3.16Å
19	A	35.9	Very low	52.1	Low	23 Å²	23	45.6 Å²	45.6	19%	0.19	23%	0.231	C	C	.	.			trans	-156.5	114.4	169.4	0	0	0	0	0	111.6	W14 F21 R22	W14-A19 HydrophobicContact CH2-CB 3.97Å; A19-F21 PolarHBondContact O-N 3.26Å; A19-F21 VanDerWaalsContact O-N 3.14Å; A19-R22 HydrophobicContact CB-CG 3.5Å
20	P	33.4	Very low	54.8	Low	91 Å²	91	45.6 Å²	45.6	59%	0.591	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	118.7	171.2	28.2	-29.4	0	0	0	107.1
21	F	43.1	Very low	57.5	Low	112 Å²	112	45.4 Å²	45.4	49%	0.491	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	56.6	-177.9	-57.2	-87.5	0	0	0	117.8	A19 Q23 N111 M115	A19-F21 PolarHBondContact O-N 3.26Å; A19-F21 VanDerWaalsContact O-N 3.14Å; F21-Q23 PolarHBondContact O-N 2.77Å; F21-N111 VanDerWaalsContact CE1-OD1 3.23Å; F21-N111 WeakPolarHBondContact CE1-OD1 3.47Å; F21-M115 HydrophobicContact CD2-SD 4.48Å; F21-M115 HydrophobicContact CE2-CG 4.44Å; F21-M115 HydrophobicContact CE2-SD 3.42Å; F21-M115 WeakPolarHBondContact CE2-SD 3.47Å; F21-M115 HydrophobicContact CZ-CG 4.26Å; F21-M115 HydrophobicContact CZ-SD 3.7Å
22	R	51.9	Low	59.9	Low	43 Å²	43	46.7 Å²	46.7	16%	0.162	23%	0.229	C	C	.	.			trans	-74.4	73.3	159.7	-74.3	-86.3	-81.8	-155.3	-28.3	110.9	W14 A19 D24 L25	W14-R22 VanDerWaalsContact CH2-CD 3.46Å; W14-R22 HydrophobicContact CH2-CG 3.9Å; W14-R22 HydrophobicContact CZ3-CG 3.73Å; A19-R22 HydrophobicContact CB-CG 3.5Å; R22-D24 VanDerWaalsContact C-OD1 3.3Å; R22-D24 VanDerWaalsContact CA-OD1 3.25Å; R22-D24 WeakPolarHBondContact CA-OD1 3.41Å; R22-D24 WeakPolarHBondContact CB-OD1 3.4Å; R22-D24 WeakPolarHBondContact CD-OD1 3.23Å; R22-D24 VanDerWaalsContact CD-OD2 3.22Å; R22-D24 WeakPolarHBondContact CD-OD2 3.16Å; R22-D24 IonicContact CZ-OD2 2.74Å; R22-D24 VanDerWaalsContact CZ-OD2 3.31Å; R22-D24 IonicContact NE-OD1 2.96Å; R22-D24 PolarHBondContact NE-OD1 3.49Å; R22-D24 IonicContact NE-OD2 3.6Å; R22-D24 PolarHBondContact NE-OD2 3.04Å; R22-D24 IonicContact NH1-OD2 2.7Å; R22-D24 PolarHBondContact NH1-OD2 3.08Å; R22-D24 PolarHBondContact O-N 3.42Å; R22-L25 HydrophobicContact CB-CD1 4.39Å
23	Q	60.5	Low	62.4	Low	159 Å²	159	45.6 Å²	45.6	74%	0.743	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-4.8	168.5	-70.9	-174.6	-9.1	0	0	112.5	F21 L25 L429	F21-Q23 PolarHBondContact O-N 2.77Å; Q23-L25 VanDerWaalsContact C-N 3.29Å; Q23-L25 PolarHBondContact O-N 3.24Å; Q23-L429 WeakPolarHBondContact O-CD1 3.13Å
24	D	67.7	Low	64.8	Low	39 Å²	39	42.1 Å²	42.1	21%	0.209	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	9.3	-179.6	61	-10.7	0	0	0	113.2	R22 M428 L429	R22-D24 VanDerWaalsContact C-OD1 3.3Å; R22-D24 VanDerWaalsContact CA-OD1 3.25Å; R22-D24 WeakPolarHBondContact CA-OD1 3.41Å; R22-D24 WeakPolarHBondContact CB-OD1 3.4Å; R22-D24 WeakPolarHBondContact CD-OD1 3.23Å; R22-D24 VanDerWaalsContact CD-OD2 3.22Å; R22-D24 WeakPolarHBondContact CD-OD2 3.16Å; R22-D24 IonicContact CZ-OD2 2.74Å; R22-D24 VanDerWaalsContact CZ-OD2 3.31Å; R22-D24 IonicContact NE-OD1 2.96Å; R22-D24 PolarHBondContact NE-OD1 3.49Å; R22-D24 IonicContact NE-OD2 3.6Å; R22-D24 PolarHBondContact NE-OD2 3.04Å; R22-D24 IonicContact NH1-OD2 2.7Å; R22-D24 PolarHBondContact NH1-OD2 3.08Å; R22-D24 PolarHBondContact O-N 3.42Å; D24-M428 HydrophobicContact CB-CE 3.72Å; D24-M428 HydrophobicContact CB-SD 4.26Å; D24-M428 CarbonylContact O-C 3.55Å; D24-M428 VanDerWaalsContact O-CA 3.3Å; D24-M428 WeakPolarHBondContact O-CA 3.38Å; D24-M428 WeakPolarHBondContact OD2-CE 3.25Å; D24-L429 PolarHBondContact O-N 2.77Å
25	L	74.9	Confident	67.4	Low	6 Å²	6	39 Å²	39	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	-124.4	135.9	178.8	-73.9	165.6	0	0	0	111.9	V11 L15 R22 Q23 R110 I427 M428	V11-L25 HydrophobicContact CG1-CD1 4.09Å; V11-L25 HydrophobicContact CG1-CD2 4.47Å; L15-L25 HydrophobicContact CD1-CD1 4.2Å; L15-L25 HydrophobicContact CD2-CB 4.04Å; L15-L25 HydrophobicContact CD2-CD1 3.13Å; L15-L25 HydrophobicContact CD2-CG 4.16Å; L15-L25 HydrophobicContact CG-CD1 3.57Å; R22-L25 HydrophobicContact CB-CD1 4.39Å; Q23-L25 VanDerWaalsContact C-N 3.29Å; Q23-L25 PolarHBondContact O-N 3.24Å; L25-R110 PolarHBondContact O-NH1 3.35Å; L25-I427 HydrophobicContact CD2-CD1 3.9Å; L25-I427 HydrophobicContact CD2-CG1 4.17Å; L25-M428 HydrophobicContact CD2-SD 3.92Å; L25-M428 HydrophobicContact CG-SD 4.17Å
26	P	84.8	Confident	70	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.019	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-61.3	148.3	-178.2	26.4	-36.7	0	0	0	110.7	R110 I427 L429 K516 L520	P26-R110 PolarHBondContact O-NH2 3.37Å; P26-I427 WeakPolarHBondContact CD-O 3.44Å; P26-L429 HydrophobicContact CB-CD2 4.01Å; P26-K516 HydrophobicContact CB-CB 3.84Å; P26-K516 HydrophobicContact CG-CB 3.79Å; P26-L520 HydrophobicContact CG-CB 4.34Å; P26-L520 HydrophobicContact CG-CD2 3.85Å
27	S	86.1	Confident	72.5	Confident	20 Å²	20	38.7 Å²	38.7	14%	0.14	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-70.9	142.2	171.1	-66	0	0	0	0	112	T104 D106 R110 T517	S27-T104 VanDerWaalsContact CB-OG1 3.26Å; S27-T104 WeakPolarHBondContact CB-OG1 3.47Å; S27-T104 PolarHBondContact OG-OG1 2.92Å; S27-D106 WeakPolarHBondContact CA-OD2 3.41Å; S27-R110 PolarHBondContact OG-NH2 3.26Å; S27-T517 VanDerWaalsContact O-CG2 3.26Å; S27-T517 WeakPolarHBondContact O-CG2 3.35Å; S27-T517 PolarHBondContact O-OG1 2.82Å
28	I	89.2	Confident	75.1	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.015	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-98.7	127.7	175.7	-61.9	166.3	0	0	0	107.8	Y12 Q32 L33 D106 L520	Y12-I28 HydrophobicContact CD1-CD1 4.48Å; Y12-I28 HydrophobicContact CE1-CD1 3.32Å; Y12-I28 VanDerWaalsContact OH-CD1 3.25Å; Y12-I28 WeakPolarHBondContact OH-CD1 3.48Å; I28-Q32 HydrophobicContact CG2-CB 3.65Å; I28-L33 HydrophobicContact CB-CD2 3.85Å; I28-L33 HydrophobicContact CD1-CD2 4.4Å; I28-L33 HydrophobicContact CG2-CD2 3.79Å; I28-L33 HydrophobicContact CG2-CG 4.16Å; I28-D106 HydrophobicContact CB-CB 4.4Å; I28-D106 PolarHBondContact N-OD2 3.29Å; I28-D106 VanDerWaalsContact O-CB 3.25Å; I28-D106 WeakPolarHBondContact O-CB 3.29Å; I28-L520 HydrophobicContact CD1-CD2 3.91Å; I28-L520 HydrophobicContact CG1-CD2 3.71Å
29	P	93.2	Very high	77.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-57.9	143.9	174	-20.2	31	0	0	0	110.4	D31 Q32 L33 L496 E506 T517 I523	P29-D31 PolarHBondContact O-N 2.82Å; P29-D31 VanDerWaalsContact O-N 3.07Å; P29-Q32 HydrophobicContact CB-CG 4.29Å; P29-Q32 HydrophobicContact CG-CG 4.31Å; P29-Q32 WeakPolarHBondContact O-CA 3.45Å; P29-Q32 WeakPolarHBondContact O-CB 3.49Å; P29-Q32 PolarHBondContact O-N 2.97Å; P29-L33 PolarHBondContact O-N 3.38Å; P29-L496 HydrophobicContact CG-CB 4.18Å; P29-L496 HydrophobicContact CG-CD1 4.36Å; P29-E506 VanDerWaalsContact CA-OE2 3.22Å; P29-E506 WeakPolarHBondContact CA-OE2 3.22Å; P29-T517 HydrophobicContact CG-CG2 4.06Å; P29-I523 HydrophobicContact CG-CD1 4.36Å
30	V	94	Very high	80.4	Confident	1 Å²	1	34 Å²	34	1%	0.006	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-55.1	-36.1	-170.8	72.8	0	0	0	0	112.3	Q32 L33 Y36 I57 L67 V105 L503 E506	V30-Q32 VanDerWaalsContact C-N 3.27Å; V30-Q32 PolarHBondContact O-N 3.01Å; V30-L33 HydrophobicContact CB-CD1 4.49Å; V30-L33 HydrophobicContact CG2-CD1 4.16Å; V30-L33 WeakPolarHBondContact O-CB 3.42Å; V30-L33 PolarHBondContact O-N 3.14Å; V30-Y36 HydrophobicContact CG2-CD2 4.04Å; V30-Y36 HydrophobicContact CG2-CE2 4.42Å; V30-Y36 HydrophobicContact CG2-CG 4.46Å; V30-Y36 WeakPolarHBondContact O-CB 3.34Å; V30-I57 HydrophobicContact CG2-CG2 4.41Å; V30-L67 HydrophobicContact CG2-CD1 4.37Å; V30-L67 HydrophobicContact CG2-CD2 4.29Å; V30-V105 HydrophobicContact CB-CB 4.3Å; V30-V105 HydrophobicContact CB-CG2 4.28Å; V30-V105 HydrophobicContact CG2-CB 4.14Å; V30-V105 HydrophobicContact CG2-CG1 4.08Å; V30-V105 HydrophobicContact CG2-CG2 4.21Å; V30-L503 HydrophobicContact CG1-CD1 3.83Å; V30-E506 PolarHBondContact N-OE2 2.75Å
31	D	91.7	Very high	83.1	Confident	21 Å²	21	38.7 Å²	38.7	11%	0.112	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-79.8	-3.2	179	67	13.5	0	0	0	115.3	P29 Y36 H498 K499 D500 L503	P29-D31 PolarHBondContact O-N 2.82Å; P29-D31 VanDerWaalsContact O-N 3.07Å; D31-Y36 HydrophobicContact CB-CD1 4.33Å; D31-Y36 HydrophobicContact CB-CE1 4.18Å; D31-H498 IonicContact OD1-ND1 3.24Å; D31-H498 WeakPolarHBondContact OD2-CA 3.38Å; D31-H498 WeakPolarHBondContact OD2-CB 3.42Å; D31-H498 IonicContact OD2-CG 3.8Å; D31-H498 IonicContact OD2-ND1 3.39Å; D31-K499 WeakPolarHBondContact OD2-CA 3.25Å; D31-K499 PolarHBondContact OD2-N 3.49Å; D31-D500 PolarHBondContact OD2-N 3.44Å; D31-D500 VanDerWaalsContact OD2-N 3.15Å; D31-L503 HydrophobicContact CB-CD1 3.68Å
32	Q	89.5	Confident	85.4	Confident	30 Å²	30	35.7 Å²	35.7	14%	0.14	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-102.1	-6.8	168	-54.4	-47.5	-55.3	0	0	112.4	I28 P29 V30 K499 C521 I523	I28-Q32 HydrophobicContact CG2-CB 3.65Å; P29-Q32 HydrophobicContact CB-CG 4.29Å; P29-Q32 HydrophobicContact CG-CG 4.31Å; P29-Q32 WeakPolarHBondContact O-CA 3.45Å; P29-Q32 WeakPolarHBondContact O-CB 3.49Å; P29-Q32 PolarHBondContact O-N 2.97Å; V30-Q32 VanDerWaalsContact C-N 3.27Å; V30-Q32 PolarHBondContact O-N 3.01Å; Q32-K499 VanDerWaalsContact NE2-CD 3.33Å; Q32-K499 VanDerWaalsContact NE2-CE 3.35Å; Q32-C521 HydrophobicContact CB-CB 4.5Å; Q32-C521 HydrophobicContact CG-CB 4.22Å; Q32-I523 HydrophobicContact CG-CD1 4.02Å
33	L	89.7	Confident	87.3	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.031	18%	0.181	C	C	.	.			trans	-65.9	131.1	178.5	-71.3	172.6	0	0	0	110.7	I28 P29 V30 Y35 Y36 I57 D106	I28-L33 HydrophobicContact CB-CD2 3.85Å; I28-L33 HydrophobicContact CD1-CD2 4.4Å; I28-L33 HydrophobicContact CG2-CD2 3.79Å; I28-L33 HydrophobicContact CG2-CG 4.16Å; P29-L33 PolarHBondContact O-N 3.38Å; V30-L33 HydrophobicContact CB-CD1 4.49Å; V30-L33 HydrophobicContact CG2-CD1 4.16Å; V30-L33 WeakPolarHBondContact O-CB 3.42Å; V30-L33 PolarHBondContact O-N 3.14Å; L33-Y35 HydrophobicContact CB-CE1 4.37Å; L33-Y35 HydrophobicContact CB-CE2 4.43Å; L33-Y35 HydrophobicContact CD1-CE2 3.94Å; L33-Y35 HydrophobicContact CD2-CE1 4Å; L33-Y35 PolarHBondContact O-N 2.74Å; L33-Y35 VanDerWaalsContact O-N 3.08Å; L33-Y36 PolarHBondContact O-N 2.79Å; L33-I57 HydrophobicContact CD1-CD1 4.49Å; L33-D106 HydrophobicContact CD1-CB 4.36Å; L33-D106 HydrophobicContact CD2-CB 4.02Å
34	P	86.5	Confident	88.8	Confident	5 Å²	5	34 Å²	34	3%	0.032	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.4	178.4	-29.3	36.7	0	0	0	114.6	Y12 S134 S135 F138	Y12-P34 HydrophobicContact CE1-CG 4.39Å; P34-S134 CarbonylContact O-C 3.57Å; P34-S134 WeakPolarHBondContact O-CA 3.39Å; P34-S135 PolarHBondContact O-N 2.87Å; P34-F138 HydrophobicContact CB-CD1 3.85Å; P34-F138 HydrophobicContact CB-CD2 4.17Å; P34-F138 HydrophobicContact CB-CE1 3.73Å; P34-F138 HydrophobicContact CB-CE2 4.06Å; P34-F138 HydrophobicContact CB-CG 4.06Å; P34-F138 HydrophobicContact CB-CZ 3.85Å; P34-F138 HydrophobicContact CG-CD2 4.46Å; P34-F138 HydrophobicContact CG-CE1 4.28Å; P34-F138 HydrophobicContact CG-CE2 3.99Å; P34-F138 HydrophobicContact CG-CZ 3.89Å
35	Y	91.5	Very high	90	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.02	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	14.3	-177.9	57.3	-94.8	0	0	0	113.1	Y16 L33 H37 F55 I57 I109 A132 V133	Y16-Y35 HydrophobicContact CE2-CE1 4.38Å; Y16-Y35 WeakPolarHBondContact OH-CE1 3.46Å; Y16-Y35 PolarHBondContact OH-OH 3.23Å; L33-Y35 HydrophobicContact CB-CE1 4.37Å; L33-Y35 HydrophobicContact CB-CE2 4.43Å; L33-Y35 HydrophobicContact CD1-CE2 3.94Å; L33-Y35 HydrophobicContact CD2-CE1 4Å; L33-Y35 PolarHBondContact O-N 2.74Å; L33-Y35 VanDerWaalsContact O-N 3.08Å; Y35-H37 PolarHBondContact O-CD2 3.49Å; Y35-H37 VanDerWaalsContact O-CD2 3.25Å; Y35-F55 HydrophobicContact CD2-CE2 4.23Å; Y35-F55 HydrophobicContact CE2-CE2 4.13Å; Y35-I57 HydrophobicContact CD2-CD1 4.25Å; Y35-I57 HydrophobicContact CD2-CG1 4.14Å; Y35-I57 HydrophobicContact CE2-CD1 3.7Å; Y35-I57 HydrophobicContact CE2-CG1 4.07Å; Y35-I57 PolarHBondContact O-N 2.79Å; Y35-I109 HydrophobicContact CE2-CG2 4.32Å; Y35-A132 HydrophobicContact CD1-CB 3.64Å; Y35-A132 HydrophobicContact CE1-CB 4.28Å; Y35-A132 HydrophobicContact CG-CB 3.85Å; Y35-V133 VanDerWaalsContact CA-O 3.28Å; Y35-V133 WeakPolarHBondContact CA-O 3.42Å; Y35-V133 WeakPolarHBondContact CB-O 3.39Å
36	Y	93.8	Very high	90.9	Very high	22 Å²	22	32.8 Å²	32.8	9%	0.086	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.8	164.5	178.2	-111.2	0	0	0	109.5	V30 D31 L33 G38 I57 A59 L67 S135 L503	V30-Y36 HydrophobicContact CG2-CD2 4.04Å; V30-Y36 HydrophobicContact CG2-CE2 4.42Å; V30-Y36 HydrophobicContact CG2-CG 4.46Å; V30-Y36 WeakPolarHBondContact O-CB 3.34Å; D31-Y36 HydrophobicContact CB-CD1 4.33Å; D31-Y36 HydrophobicContact CB-CE1 4.18Å; L33-Y36 PolarHBondContact O-N 2.79Å; Y36-G38 VanDerWaalsContact CE1-CA 3.41Å; Y36-G38 VanDerWaalsContact CZ-CA 3.46Å; Y36-I57 CarbonylContact C-O 3.56Å; Y36-I57 WeakPolarHBondContact CA-O 3.3Å; Y36-I57 HydrophobicContact CD2-CB 4.2Å; Y36-I57 HydrophobicContact CD2-CG2 3.89Å; Y36-I57 HydrophobicContact CE2-CG2 4.37Å; Y36-A59 HydrophobicContact CE2-CB 4.37Å; Y36-A59 WeakPolarHBondContact OH-CB 3.41Å; Y36-L67 HydrophobicContact CE2-CD2 4.02Å; Y36-S135 WeakPolarHBondContact O-CB 3.29Å; Y36-S135 PolarHBondContact O-OG 3.17Å; Y36-L503 HydrophobicContact CE1-CD1 4.49Å; Y36-L503 WeakPolarHBondContact OH-CD2 3.23Å
37	H	93.5	Very high	91.2	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	8.2	-175.4	-68.5	-109.6	0	0	0	113.3	Y35 I40 R48 L56 I57 V133 S135	Y35-H37 PolarHBondContact O-CD2 3.49Å; Y35-H37 VanDerWaalsContact O-CD2 3.25Å; H37-I40 HydrophobicContact CB-CD1 3.58Å; H37-I40 HydrophobicContact CB-CG1 4.17Å; H37-I40 WeakPolarHBondContact O-CG2 3.42Å; H37-R48 WeakPolarHBondContact ND1-CD 3.46Å; H37-R48 PolarHBondContact ND1-NH1 3.01Å; H37-L56 WeakPolarHBondContact NE2-CB 3.43Å; H37-I57 PolarHBondContact N-O 3.18Å; H37-V133 PolarHBondContact NE2-O 3.38Å; H37-V133 VanDerWaalsContact NE2-O 3.07Å; H37-S135 VanDerWaalsContact CE1-CA 3.43Å; H37-S135 WeakPolarHBondContact CE1-CA 3.48Å
38	G	92.8	Very high	91.4	Very high	20 Å²	20	37.3 Å²	37.3	21%	0.206	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.3	-153	-177	0	0	0	0	0	112.3	Y36 I40 Y58 A59	Y36-G38 VanDerWaalsContact CE1-CA 3.41Å; Y36-G38 VanDerWaalsContact CZ-CA 3.46Å; G38-I40 PolarHBondContact O-N 2.94Å; G38-Y58 WeakPolarHBondContact O-CA 3.44Å; G38-Y58 WeakPolarHBondContact O-CB 3.22Å; G38-A59 PolarHBondContact O-N 2.71Å
39	R	91.2	Very high	91.4	Very high	92 Å²	92	37.2 Å²	37.2	35%	0.347	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	105.4	176.3	-65.6	166.6	177.5	-131.6	-3.7	109.7	A59 G61 D62 D500 T502	R39-A59 WeakPolarHBondContact CA-O 3.42Å; R39-A59 HydrophobicContact CG-CB 3.97Å; R39-G61 PolarHBondContact NH1-O 3.22Å; R39-G61 VanDerWaalsContact NH1-O 3.17Å; R39-D62 VanDerWaalsContact CZ-O 3.23Å; R39-D62 PolarHBondContact NH1-O 2.78Å; R39-D62 IonicContact NH1-OD1 3.92Å; R39-D62 PolarHBondContact NH2-O 3.15Å; R39-D500 IonicContact NE-OD2 3.38Å; R39-T502 PolarHBondContact NH2-OG1 2.77Å
40	I	90.1	Very high	91.1	Very high	27 Å²	27	39.2 Å²	39.2	14%	0.138	19%	0.186	C	C	.	.			trans	-137.8	154.6	179.7	59.3	164.2	0	0	0	110.9	H37 G38 A45 Y58	H37-I40 HydrophobicContact CB-CD1 3.58Å; H37-I40 HydrophobicContact CB-CG1 4.17Å; H37-I40 WeakPolarHBondContact O-CG2 3.42Å; G38-I40 PolarHBondContact O-N 2.94Å; I40-A45 HydrophobicContact CD1-CB 3.42Å; I40-A45 VanDerWaalsContact CD1-CB 3.42Å; I40-A45 HydrophobicContact CG1-CB 4.15Å; I40-Y58 HydrophobicContact CD1-CG 4.49Å; I40-Y58 HydrophobicContact CG1-CD2 3.9Å; I40-Y58 HydrophobicContact CG1-CG 3.95Å; I40-Y58 VanDerWaalsContact O-CD2 3.28Å; I40-Y58 WeakPolarHBondContact O-CD2 3.27Å; I40-Y58 WeakPolarHBondContact O-CE2 3.2Å
41	R	90.2	Very high	90.8	Very high	190 Å²	190	42.2 Å²	42.2	72%	0.717	21%	0.206	S	C	*	.			trans	-71.3	145	173.6	-65.3	-175.6	179.7	163	0.6	110.7	E43 L44 A45	R41-E43 VanDerWaalsContact C-N 3.27Å; R41-E43 PolarHBondContact O-N 3.49Å; R41-L44 PolarHBondContact O-N 2.92Å; R41-L44 VanDerWaalsContact O-N 3.14Å; R41-A45 PolarHBondContact O-N 2.85Å
42	H	91.6	Very high	90.7	Very high	49 Å²	49	44.5 Å²	44.5	23%	0.227	22%	0.218	C	C	.	.	H	α-helix	trans	-50.8	-44	178.7	174.3	72.4	0	0	0	113	L44 A45 A46 Y58 Q80	H42-L44 VanDerWaalsContact C-N 3.3Å; H42-L44 PolarHBondContact O-N 2.88Å; H42-A45 WeakPolarHBondContact O-CB 3.5Å; H42-A45 PolarHBondContact O-N 3.07Å; H42-A45 VanDerWaalsContact O-N 3.16Å; H42-A46 WeakPolarHBondContact O-CB 3.42Å; H42-A46 PolarHBondContact O-N 2.83Å; H42-Y58 PolarHBondContact ND1-OH 3.45Å; H42-Q80 PolarHBondContact CE1-OE1 3.23Å; H42-Q80 WeakPolarHBondContact ND1-CG 3.42Å; H42-Q80 PolarHBondContact ND1-OE1 3.37Å
43	E	91.7	Very high	90.6	Very high	118 Å²	118	43.1 Å²	43.1	55%	0.551	21%	0.212	S	C	*	.	H	α-helix	trans	-62.2	-40	-176.6	-59.9	79.2	-169.8	0	0	111.8	R41 Q47	R41-E43 VanDerWaalsContact C-N 3.27Å; R41-E43 PolarHBondContact O-N 3.49Å; E43-Q47 VanDerWaalsContact O-CG 3.28Å; E43-Q47 WeakPolarHBondContact O-CG 3.46Å; E43-Q47 PolarHBondContact O-N 3.37Å
44	L	90.9	Very high	90.6	Very high	48 Å²	48	42.9 Å²	42.9	25%	0.251	21%	0.211	S	C	.	.	H	α-helix	trans	-72.1	-36.4	177.8	-172.3	64.8	0	0	0	111.5	R41 H42 R48	R41-L44 PolarHBondContact O-N 2.92Å; R41-L44 VanDerWaalsContact O-N 3.14Å; H42-L44 VanDerWaalsContact C-N 3.3Å; H42-L44 PolarHBondContact O-N 2.88Å; L44-R48 WeakPolarHBondContact O-CG 3.33Å
45	A	93	Very high	91	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-48.2	174.1	0	0	0	0	0	111.1	I40 R41 H42 Q47 R48 L56 Y58 L70	I40-A45 HydrophobicContact CD1-CB 3.42Å; I40-A45 VanDerWaalsContact CD1-CB 3.42Å; I40-A45 HydrophobicContact CG1-CB 4.15Å; R41-A45 PolarHBondContact O-N 2.85Å; H42-A45 WeakPolarHBondContact O-CB 3.5Å; H42-A45 PolarHBondContact O-N 3.07Å; H42-A45 VanDerWaalsContact O-N 3.16Å; A45-Q47 VanDerWaalsContact C-N 3.33Å; A45-Q47 PolarHBondContact O-N 3.37Å; A45-R48 WeakPolarHBondContact O-CB 3.16Å; A45-R48 PolarHBondContact O-N 2.79Å; A45-R48 VanDerWaalsContact O-N 3.08Å; A45-L56 HydrophobicContact CB-CD1 4.22Å; A45-Y58 HydrophobicContact CB-CD1 4.18Å; A45-Y58 HydrophobicContact CB-CE1 4.2Å; A45-Y58 HydrophobicContact CB-CG 4.49Å; A45-L70 HydrophobicContact CB-CD2 3.67Å
46	A	93.2	Very high	91.1	Very high	20 Å²	20	42.5 Å²	42.5	17%	0.165	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-37.4	-179.1	0	0	0	0	0	112.8	H42 R48 L49 L70 C78	H42-A46 WeakPolarHBondContact O-CB 3.42Å; H42-A46 PolarHBondContact O-N 2.83Å; A46-R48 PolarHBondContact O-N 3.27Å; A46-R48 VanDerWaalsContact O-N 3.16Å; A46-L49 PolarHBondContact O-N 2.69Å; A46-L70 HydrophobicContact CB-CD2 4.23Å; A46-C78 HydrophobicContact CB-CB 3.89Å
47	Q	91.7	Very high	91.2	Very high	108 Å²	108	41.5 Å²	41.5	51%	0.505	21%	0.205	S	C	.	.	H	α-helix	trans	-61.4	-20.6	175.8	-74.8	171	11	0	0	113.6	E43 A45 N274	E43-Q47 VanDerWaalsContact O-CG 3.28Å; E43-Q47 WeakPolarHBondContact O-CG 3.46Å; E43-Q47 PolarHBondContact O-N 3.37Å; A45-Q47 VanDerWaalsContact C-N 3.33Å; A45-Q47 PolarHBondContact O-N 3.37Å; Q47-N274 WeakPolarHBondContact O-CB 3.43Å
48	R	89.9	Confident	91.3	Very high	10 Å²	10	41.1 Å²	41.1	4%	0.038	20%	0.203	C	C	.	.	H	α-helix	trans	-83	-20.7	-178.4	-66.3	173.3	173.2	176.4	-7.9	113.4	H37 L44 A45 A46 L56 V133	H37-R48 WeakPolarHBondContact ND1-CD 3.46Å; H37-R48 PolarHBondContact ND1-NH1 3.01Å; L44-R48 WeakPolarHBondContact O-CG 3.33Å; A45-R48 WeakPolarHBondContact O-CB 3.16Å; A45-R48 PolarHBondContact O-N 2.79Å; A45-R48 VanDerWaalsContact O-N 3.08Å; A46-R48 PolarHBondContact O-N 3.27Å; A46-R48 VanDerWaalsContact O-N 3.16Å; R48-L56 HydrophobicContact CB-CD2 4.05Å; R48-V133 HydrophobicContact CB-CG1 4.45Å
49	L	90.6	Very high	91.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	19%	0.194	C	C	.	.			trans	-84	122.4	178.7	-58.8	176.6	0	0	0	109.7	A46 D54 L56 L70 R72 C78 V133	A46-L49 PolarHBondContact O-N 2.69Å; L49-D54 HydrophobicContact CB-CB 4.14Å; L49-D54 HydrophobicContact CD2-CB 3.7Å; L49-L56 HydrophobicContact CD2-CD2 3.86Å; L49-L56 HydrophobicContact CD2-CG 4.03Å; L49-L56 HydrophobicContact CG-CD2 4.16Å; L49-L70 HydrophobicContact CD1-CB 4.24Å; L49-L70 HydrophobicContact CD1-CD2 3.67Å; L49-L70 HydrophobicContact CD1-CG 3.6Å; L49-L70 HydrophobicContact CG-CD2 4.4Å; L49-R72 HydrophobicContact CB-CB 3.83Å; L49-R72 HydrophobicContact CD1-CB 4.04Å; L49-R72 WeakPolarHBondContact O-CD 3.23Å; L49-R72 PolarHBondContact O-NH1 3.39Å; L49-C78 HydrophobicContact CD1-CB 4.41Å; L49-V133 HydrophobicContact CD2-CB 4.3Å; L49-V133 HydrophobicContact CD2-CG2 3.78Å
50	C	86.7	Confident	91.5	Very high	41 Å²	41	39 Å²	39	28%	0.277	19%	0.192	S	C	.	.			trans	-109.8	-41.5	-171.7	-69.1	0	0	0	0	113.2	D54 R72	C50-D54 WeakPolarHBondContact CA-OD2 3.14Å; C50-D54 PolarHBondContact N-OD2 2.87Å; C50-R72 PolarHBondContact O-NH1 3.42Å
51	C	87.5	Confident	91.2	Very high	64 Å²	64	39.8 Å²	39.8	43%	0.432	21%	0.207	S	C	.	.	S	Bend	trans	-110.2	160.7	-175.8	-58.3	0	0	0	0	111.5	D54	C51-D54 WeakPolarHBondContact CB-OD1 3.37Å; C51-D54 PolarHBondContact N-OD2 2.97Å; C51-D54 VanDerWaalsContact O-CB 3.26Å; C51-D54 WeakPolarHBondContact O-CB 3.39Å; C51-D54 PolarHBondContact O-N 3.29Å
52	N	88.6	Confident	90.6	Very high	70 Å²	70	37.1 Å²	37.1	37%	0.374	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	138.1	167.2	177.3	30.7	0	0	0	109.8	D54 R72 D73 Q74	N52-D54 PolarHBondContact O-N 3.37Å; N52-R72 PolarHBondContact OD1-O 2.93Å; N52-D73 PolarHBondContact OD1-O 2.92Å; N52-Q74 PolarHBondContact OD1-N 3.48Å; N52-Q74 VanDerWaalsContact OD1-N 3.08Å
53	G	87.8	Confident	90	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	3.8	-178	0	0	0	0	0	114.6	R72 R128 E130 H131	G53-R72 PolarHBondContact N-O 3.25Å; G53-R128 WeakPolarHBondContact CA-O 3.1Å; G53-E130 PolarHBondContact O-N 2.61Å; G53-H131 PolarHBondContact O-N 2.91Å
54	D	90.2	Very high	89.6	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.011	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	137	163.8	-74.9	3.7	0	0	0	108.8	L49 C50 C51 N52 V71 R72 H131 V133	L49-D54 HydrophobicContact CB-CB 4.14Å; L49-D54 HydrophobicContact CD2-CB 3.7Å; C50-D54 WeakPolarHBondContact CA-OD2 3.14Å; C50-D54 PolarHBondContact N-OD2 2.87Å; C51-D54 WeakPolarHBondContact CB-OD1 3.37Å; C51-D54 PolarHBondContact N-OD2 2.97Å; C51-D54 VanDerWaalsContact O-CB 3.26Å; C51-D54 WeakPolarHBondContact O-CB 3.39Å; C51-D54 PolarHBondContact O-N 3.29Å; N52-D54 PolarHBondContact O-N 3.37Å; D54-V71 WeakPolarHBondContact O-CA 3.23Å; D54-R72 PolarHBondContact O-N 3.24Å; D54-H131 CarbonylContact C-O 3.53Å; D54-H131 VanDerWaalsContact CA-O 3.29Å; D54-H131 WeakPolarHBondContact CA-O 3.49Å; D54-H131 WeakPolarHBondContact OD1-CB 3.12Å; D54-H131 IonicContact OD1-CG 3.22Å; D54-H131 IonicContact OD1-ND1 3.25Å; D54-V133 HydrophobicContact CB-CG2 3.76Å
55	F	93.6	Very high	89.4	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.1	176.2	71.2	-86	0	0	0	113	Y35 L69 L70 V71 I109 V113 L129 H131 A132 V133	Y35-F55 HydrophobicContact CD2-CE2 4.23Å; Y35-F55 HydrophobicContact CE2-CE2 4.13Å; F55-L69 HydrophobicContact CB-CD1 4.21Å; F55-L69 HydrophobicContact CD2-CD1 3.92Å; F55-L69 HydrophobicContact CG-CD1 4.47Å; F55-L70 CarbonylContact C-O 3.56Å; F55-L70 WeakPolarHBondContact CA-O 3.43Å; F55-L70 WeakPolarHBondContact CB-O 3.43Å; F55-V71 HydrophobicContact CB-CB 4.31Å; F55-V71 HydrophobicContact CB-CG2 4.28Å; F55-I109 HydrophobicContact CE2-CG2 3.88Å; F55-I109 HydrophobicContact CZ-CG2 4.4Å; F55-V113 HydrophobicContact CE1-CG2 4.14Å; F55-V113 HydrophobicContact CZ-CG2 3.8Å; F55-L129 HydrophobicContact CB-CD2 3.64Å; F55-L129 HydrophobicContact CD1-CB 3.7Å; F55-L129 HydrophobicContact CD1-CD2 4.02Å; F55-L129 HydrophobicContact CD1-CG 4.4Å; F55-L129 HydrophobicContact CD2-CD2 4.24Å; F55-L129 HydrophobicContact CE1-CB 3.71Å; F55-L129 HydrophobicContact CG-CB 4.2Å; F55-L129 HydrophobicContact CG-CD2 3.71Å; F55-L129 HydrophobicContact CG-CG 4.43Å; F55-L129 HydrophobicContact CZ-CB 4.21Å; F55-H131 WeakPolarHBondContact CD1-O 3.33Å; F55-H131 PolarHBondContact N-O 2.9Å; F55-A132 HydrophobicContact CE1-CB 3.99Å; F55-A132 VanDerWaalsContact CE1-N 3.32Å; F55-A132 HydrophobicContact CE2-CB 3.91Å; F55-A132 HydrophobicContact CZ-CB 3.55Å; F55-A132 WeakPolarHBondContact O-CA 3.48Å; F55-V133 PolarHBondContact O-N 2.84Å
56	L	94.3	Very high	89.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	166.4	174.2	62.1	80.4	0	0	0	111.2	H37 A45 R48 L49 Y58 L70 V133	H37-L56 WeakPolarHBondContact NE2-CB 3.43Å; A45-L56 HydrophobicContact CB-CD1 4.22Å; R48-L56 HydrophobicContact CB-CD2 4.05Å; L49-L56 HydrophobicContact CD2-CD2 3.86Å; L49-L56 HydrophobicContact CD2-CG 4.03Å; L49-L56 HydrophobicContact CG-CD2 4.16Å; L56-Y58 HydrophobicContact CD1-CD1 3.88Å; L56-L70 HydrophobicContact CD1-CB 3.85Å; L56-L70 HydrophobicContact CD1-CD2 4.27Å; L56-L70 HydrophobicContact CG-CB 4.2Å; L56-L70 PolarHBondContact N-O 2.86Å; L56-L70 PolarHBondContact O-N 2.88Å; L56-V133 HydrophobicContact CB-CB 4.5Å
57	I	96.4	Very high	89.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.6	174.2	-57	178.4	0	0	0	109.6	V30 L33 Y35 Y36 H37 L67 V68 L69 I83 V105 I109	V30-I57 HydrophobicContact CG2-CG2 4.41Å; L33-I57 HydrophobicContact CD1-CD1 4.49Å; Y35-I57 HydrophobicContact CD2-CD1 4.25Å; Y35-I57 HydrophobicContact CD2-CG1 4.14Å; Y35-I57 HydrophobicContact CE2-CD1 3.7Å; Y35-I57 HydrophobicContact CE2-CG1 4.07Å; Y35-I57 PolarHBondContact O-N 2.79Å; Y36-I57 CarbonylContact C-O 3.56Å; Y36-I57 WeakPolarHBondContact CA-O 3.3Å; Y36-I57 HydrophobicContact CD2-CB 4.2Å; Y36-I57 HydrophobicContact CD2-CG2 3.89Å; Y36-I57 HydrophobicContact CE2-CG2 4.37Å; H37-I57 PolarHBondContact N-O 3.18Å; I57-L67 HydrophobicContact CG2-CD2 4.44Å; I57-V68 WeakPolarHBondContact CA-O 3.44Å; I57-L69 HydrophobicContact CG1-CD1 4.14Å; I57-I83 HydrophobicContact CD1-CD1 4.04Å; I57-I83 HydrophobicContact CG1-CD1 4.41Å; I57-I83 HydrophobicContact CG2-CD1 4.21Å; I57-V105 HydrophobicContact CD1-CG1 3.63Å; I57-I109 HydrophobicContact CD1-CD1 4.2Å; I57-I109 HydrophobicContact CD1-CG1 3.92Å
58	Y	96.4	Very high	89.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	169.8	170.6	71.7	-77	0	0	0	110.7	G38 I40 H42 A45 L56 E60 V68 L70 Q80	G38-Y58 WeakPolarHBondContact O-CA 3.44Å; G38-Y58 WeakPolarHBondContact O-CB 3.22Å; I40-Y58 HydrophobicContact CD1-CG 4.49Å; I40-Y58 HydrophobicContact CG1-CD2 3.9Å; I40-Y58 HydrophobicContact CG1-CG 3.95Å; I40-Y58 VanDerWaalsContact O-CD2 3.28Å; I40-Y58 WeakPolarHBondContact O-CD2 3.27Å; I40-Y58 WeakPolarHBondContact O-CE2 3.2Å; H42-Y58 PolarHBondContact ND1-OH 3.45Å; A45-Y58 HydrophobicContact CB-CD1 4.18Å; A45-Y58 HydrophobicContact CB-CE1 4.2Å; A45-Y58 HydrophobicContact CB-CG 4.49Å; L56-Y58 HydrophobicContact CD1-CD1 3.88Å; Y58-E60 HydrophobicContact CD2-CG 4.04Å; Y58-E60 HydrophobicContact CE2-CG 3.37Å; Y58-E60 WeakPolarHBondContact CE2-OE1 3.43Å; Y58-E60 VanDerWaalsContact CZ-OE1 3.31Å; Y58-E60 PolarHBondContact OH-OE1 3.08Å; Y58-V68 HydrophobicContact CD1-CB 4.05Å; Y58-V68 HydrophobicContact CD1-CG1 4.3Å; Y58-V68 HydrophobicContact CE1-CB 3.65Å; Y58-V68 HydrophobicContact CE1-CG1 3.51Å; Y58-V68 HydrophobicContact CE2-CB 4.43Å; Y58-V68 PolarHBondContact N-O 2.78Å; Y58-V68 PolarHBondContact O-N 3.12Å; Y58-L70 HydrophobicContact CD1-CB 4.4Å; Y58-L70 HydrophobicContact CE1-CB 4.07Å; Y58-Q80 PolarHBondContact OH-NE2 3.31Å
59	A	94.8	Very high	90	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.017	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.9	176.3	0	0	0	0	0	111.1	Y36 G38 R39 P65 S66 L67 L503	Y36-A59 HydrophobicContact CE2-CB 4.37Å; Y36-A59 WeakPolarHBondContact OH-CB 3.41Å; G38-A59 PolarHBondContact O-N 2.71Å; R39-A59 WeakPolarHBondContact CA-O 3.42Å; R39-A59 HydrophobicContact CG-CB 3.97Å; A59-P65 HydrophobicContact CB-CB 3.95Å; A59-S66 CarbonylContact C-O 3.59Å; A59-S66 WeakPolarHBondContact CA-O 3.42Å; A59-L67 HydrophobicContact CB-CD2 4.39Å; A59-L503 HydrophobicContact CB-CD2 4.49Å
60	E	91.4	Very high	90.2	Very high	65 Å²	65	39.1 Å²	39.1	30%	0.304	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.3	169.7	-69.8	-173.2	179	0	0	110.6	Y58 P65 S66 V68 Q80	Y58-E60 HydrophobicContact CD2-CG 4.04Å; Y58-E60 HydrophobicContact CE2-CG 3.37Å; Y58-E60 WeakPolarHBondContact CE2-OE1 3.43Å; Y58-E60 VanDerWaalsContact CZ-OE1 3.31Å; Y58-E60 PolarHBondContact OH-OE1 3.08Å; E60-P65 CarbonylContact O-C 3.48Å; E60-P65 VanDerWaalsContact O-CA 3.23Å; E60-P65 WeakPolarHBondContact O-CA 3.04Å; E60-S66 PolarHBondContact N-O 3.42Å; E60-S66 PolarHBondContact O-N 3.31Å; E60-S66 PolarHBondContact O-OG 2.92Å; E60-V68 HydrophobicContact CG-CG2 4.25Å; E60-Q80 PolarHBondContact OE1-NE2 3.15Å
61	G	84.7	Confident	90.6	Very high	45 Å²	45	37.2 Å²	37.2	46%	0.464	21%	0.205	S	C	.	.			trans	96.5	159	-180	0	0	0	0	0	114.4	R39	R39-G61 PolarHBondContact NH1-O 3.22Å; R39-G61 VanDerWaalsContact NH1-O 3.17Å
62	D	77.1	Confident	90.8	Very high	133 Å²	133	36.8 Å²	36.8	71%	0.711	19%	0.194	S	C	*	.	S	Bend	trans	-97.8	-55.3	-172.1	-74	-36.4	0	0	0	114.2	R39	R39-D62 VanDerWaalsContact CZ-O 3.23Å; R39-D62 PolarHBondContact NH1-O 2.78Å; R39-D62 IonicContact NH1-OD1 3.92Å; R39-D62 PolarHBondContact NH2-O 3.15Å
63	E	79	Confident	90.8	Very high	177 Å²	177	33.6 Å²	33.6	83%	0.827	18%	0.177	S	C	*	.	S	Bend	trans	-88.7	-44.8	-174.6	-64.2	-173.4	166.3	0	0	112.8
64	E	83.5	Confident	90.7	Very high	167 Å²	167	38.4 Å²	38.4	78%	0.78	20%	0.2	S	C	*	.	S	Bend	trans	-120.9	88	176	-72.2	-176.2	171.8	0	0	108.7	S66	E64-S66 PolarHBondContact O-N 3.45Å
65	P	87.7	Confident	90.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-67.8	125.9	-175.7	25.1	-32.5	0	0	0	111.8	A59 E60 T502 L503	A59-P65 HydrophobicContact CB-CB 3.95Å; E60-P65 CarbonylContact O-C 3.48Å; E60-P65 VanDerWaalsContact O-CA 3.23Å; E60-P65 WeakPolarHBondContact O-CA 3.04Å; P65-T502 WeakPolarHBondContact CD-O 3.29Å; P65-T502 VanDerWaalsContact CG-O 3.26Å; P65-T502 WeakPolarHBondContact CG-O 3.36Å; P65-L503 HydrophobicContact CB-CD2 4.47Å; P65-L503 HydrophobicContact CG-CD2 4.02Å
66	S	91.4	Very high	90.3	Very high	51 Å²	51	48 Å²	48	36%	0.357	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132	166.4	56.9	0	0	0	0	109.9	A59 E60 E64	A59-S66 CarbonylContact C-O 3.59Å; A59-S66 WeakPolarHBondContact CA-O 3.42Å; E60-S66 PolarHBondContact N-O 3.42Å; E60-S66 PolarHBondContact O-N 3.31Å; E60-S66 PolarHBondContact O-OG 2.92Å; E64-S66 PolarHBondContact O-N 3.45Å
67	L	96.4	Very high	90.1	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.6	175.9	-70.9	175.4	0	0	0	109.9	V30 Y36 I57 A59 I83 F91 V105 L503 P504	V30-L67 HydrophobicContact CG2-CD1 4.37Å; V30-L67 HydrophobicContact CG2-CD2 4.29Å; Y36-L67 HydrophobicContact CE2-CD2 4.02Å; I57-L67 HydrophobicContact CG2-CD2 4.44Å; A59-L67 HydrophobicContact CB-CD2 4.39Å; L67-I83 HydrophobicContact CB-CB 3.99Å; L67-I83 HydrophobicContact CB-CD1 4.36Å; L67-I83 PolarHBondContact O-N 3.3Å; L67-F91 HydrophobicContact CD1-CE1 4.32Å; L67-V105 HydrophobicContact CD1-CG2 3.73Å; L67-L503 HydrophobicContact CD2-CD2 4.16Å; L67-P504 HydrophobicContact CD1-CG 4.03Å; L67-P504 HydrophobicContact CG-CG 4.4Å
68	V	96.3	Very high	89.8	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.7	-177.6	-177	0	0	0	0	109.8	I57 Y58 E60 Q80	I57-V68 WeakPolarHBondContact CA-O 3.44Å; Y58-V68 HydrophobicContact CD1-CB 4.05Å; Y58-V68 HydrophobicContact CD1-CG1 4.3Å; Y58-V68 HydrophobicContact CE1-CB 3.65Å; Y58-V68 HydrophobicContact CE1-CG1 3.51Å; Y58-V68 HydrophobicContact CE2-CB 4.43Å; Y58-V68 PolarHBondContact N-O 2.78Å; Y58-V68 PolarHBondContact O-N 3.12Å; E60-V68 HydrophobicContact CG-CG2 4.25Å; V68-Q80 HydrophobicContact CG1-CB 3.81Å; V68-Q80 HydrophobicContact CG1-CG 3.92Å
69	L	95.9	Very high	89.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118	165.3	173.7	64.5	0	0	0	108.7	F55 I57 I81 I83 I93 I109 L129	F55-L69 HydrophobicContact CB-CD1 4.21Å; F55-L69 HydrophobicContact CD2-CD1 3.92Å; F55-L69 HydrophobicContact CG-CD1 4.47Å; I57-L69 HydrophobicContact CG1-CD1 4.14Å; L69-I81 HydrophobicContact CB-CB 4.25Å; L69-I81 HydrophobicContact CD2-CD1 4.33Å; L69-I81 PolarHBondContact N-O 3.1Å; L69-I81 PolarHBondContact O-N 3.29Å; L69-I83 HydrophobicContact CB-CD1 4.1Å; L69-I83 HydrophobicContact CB-CG1 4.1Å; L69-I93 HydrophobicContact CD2-CD1 3.71Å; L69-I109 HydrophobicContact CD1-CD1 4.13Å; L69-I109 HydrophobicContact CD2-CD1 3.93Å; L69-L129 HydrophobicContact CD1-CD2 4.23Å; L69-L129 HydrophobicContact CD2-CD1 4.03Å; L69-L129 HydrophobicContact CD2-CD2 4.07Å; L69-L129 HydrophobicContact CG-CD2 4.49Å
70	L	95.5	Very high	89.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.2	174.1	-166.2	71.4	0	0	0	109.6	A45 A46 L49 F55 L56 Y58 C78 Q80	A45-L70 HydrophobicContact CB-CD2 3.67Å; A46-L70 HydrophobicContact CB-CD2 4.23Å; L49-L70 HydrophobicContact CD1-CB 4.24Å; L49-L70 HydrophobicContact CD1-CD2 3.67Å; L49-L70 HydrophobicContact CD1-CG 3.6Å; L49-L70 HydrophobicContact CG-CD2 4.4Å; F55-L70 CarbonylContact C-O 3.56Å; F55-L70 WeakPolarHBondContact CA-O 3.43Å; F55-L70 WeakPolarHBondContact CB-O 3.43Å; L56-L70 HydrophobicContact CD1-CB 3.85Å; L56-L70 HydrophobicContact CD1-CD2 4.27Å; L56-L70 HydrophobicContact CG-CB 4.2Å; L56-L70 PolarHBondContact N-O 2.86Å; L56-L70 PolarHBondContact O-N 2.88Å; Y58-L70 HydrophobicContact CD1-CB 4.4Å; Y58-L70 HydrophobicContact CE1-CB 4.07Å; L70-C78 HydrophobicContact CD1-CB 4.13Å; L70-C78 HydrophobicContact CG-CB 4.35Å; L70-Q80 HydrophobicContact CD1-CG 3.64Å
71	V	93.7	Very high	89.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.6	178.4	65.2	0	0	0	0	111	D54 F55 C78 V79 I81 L121 A127 L129	D54-V71 WeakPolarHBondContact O-CA 3.23Å; F55-V71 HydrophobicContact CB-CB 4.31Å; F55-V71 HydrophobicContact CB-CG2 4.28Å; V71-C78 CarbonylContact O-C 3.51Å; V71-C78 WeakPolarHBondContact O-CA 3.14Å; V71-V79 PolarHBondContact N-O 3.4Å; V71-V79 PolarHBondContact O-N 3.37Å; V71-I81 HydrophobicContact CG1-CD1 3.98Å; V71-L121 HydrophobicContact CG1-CD1 4.33Å; V71-L121 HydrophobicContact CG1-CD2 4.09Å; V71-A127 HydrophobicContact CB-CB 4.49Å; V71-A127 HydrophobicContact CG1-CB 4.04Å; V71-A127 HydrophobicContact CG2-CB 3.61Å; V71-L129 HydrophobicContact CB-CD2 4.17Å; V71-L129 HydrophobicContact CG2-CD2 3.9Å
72	R	92.1	Very high	89.9	Confident	56 Å²	56	60.1 Å²	60.1	21%	0.211	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.1	174.1	-177.1	167.3	178.8	167.5	-3.4	110.2	L49 C50 N52 G53 D54 S76 K77	L49-R72 HydrophobicContact CB-CB 3.83Å; L49-R72 HydrophobicContact CD1-CB 4.04Å; L49-R72 WeakPolarHBondContact O-CD 3.23Å; L49-R72 PolarHBondContact O-NH1 3.39Å; C50-R72 PolarHBondContact O-NH1 3.42Å; N52-R72 PolarHBondContact OD1-O 2.93Å; G53-R72 PolarHBondContact N-O 3.25Å; D54-R72 PolarHBondContact O-N 3.24Å; R72-S76 PolarHBondContact NH2-OG 3.15Å; R72-S76 VanDerWaalsContact NH2-OG 3.16Å; R72-K77 WeakPolarHBondContact CA-O 3.23Å
73	D	89.4	Confident	90.8	Very high	3 Å²	3	54 Å²	54	2%	0.016	27%	0.269	C	S	.	.			trans	-84.3	177	-176.1	77.7	7	0	0	0	113.5	N52 F75 S76 K77 L121 A127	N52-D73 PolarHBondContact OD1-O 2.92Å; D73-F75 PolarHBondContact O-N 3.2Å; D73-F75 VanDerWaalsContact OD1-CA 3.25Å; D73-F75 WeakPolarHBondContact OD1-CA 3.24Å; D73-F75 WeakPolarHBondContact OD1-CB 3.38Å; D73-F75 PolarHBondContact OD1-N 2.76Å; D73-S76 PolarHBondContact O-N 3.19Å; D73-S76 VanDerWaalsContact O-N 3.12Å; D73-S76 PolarHBondContact OD1-N 2.95Å; D73-K77 PolarHBondContact N-O 2.69Å; D73-K77 PolarHBondContact OD1-N 3.37Å; D73-L121 HydrophobicContact CB-CD1 3.7Å; D73-A127 HydrophobicContact CB-CB 4.25Å
74	Q	86.1	Confident	91.6	Very high	101 Å²	101	48.8 Å²	48.8	47%	0.472	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.3	178	66.6	-176.8	3.5	0	0	114.2	N52	N52-Q74 PolarHBondContact OD1-N 3.48Å; N52-Q74 VanDerWaalsContact OD1-N 3.08Å
75	F	88	Confident	92.1	Very high	129 Å²	129	45.3 Å²	45.3	57%	0.566	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	12.4	177.5	-57	-63.6	0	0	0	112.6	D73 K77 C124 A125	D73-F75 PolarHBondContact O-N 3.2Å; D73-F75 VanDerWaalsContact OD1-CA 3.25Å; D73-F75 WeakPolarHBondContact OD1-CA 3.24Å; D73-F75 WeakPolarHBondContact OD1-CB 3.38Å; D73-F75 PolarHBondContact OD1-N 2.76Å; F75-K77 PolarHBondContact O-N 3.44Å; F75-C124 WeakPolarHBondContact CE2-O 3.45Å; F75-A125 HydrophobicContact CD2-CB 4.11Å; F75-A125 HydrophobicContact CE2-CB 4.22Å
76	S	85.9	Confident	92.3	Very high	76 Å²	76	46.8 Å²	46.8	53%	0.531	23%	0.234	S	C	.	.	S	Bend	trans	63.6	21.8	-176.8	-66.8	0	0	0	0	115	R72 D73	R72-S76 PolarHBondContact NH2-OG 3.15Å; R72-S76 VanDerWaalsContact NH2-OG 3.16Å; D73-S76 PolarHBondContact O-N 3.19Å; D73-S76 VanDerWaalsContact O-N 3.12Å; D73-S76 PolarHBondContact OD1-N 2.95Å
77	K	89.9	Confident	92.2	Very high	120 Å²	120	52.8 Å²	52.8	52%	0.522	26%	0.257	S	S	.	.			trans	-93.3	138	171.2	-170.5	-177.4	174.8	-170	0	109.5	R72 D73 F75 V79	R72-K77 WeakPolarHBondContact CA-O 3.23Å; D73-K77 PolarHBondContact N-O 2.69Å; D73-K77 PolarHBondContact OD1-N 3.37Å; F75-K77 PolarHBondContact O-N 3.44Å; K77-V79 HydrophobicContact CD-CG2 4.41Å; K77-V79 HydrophobicContact CG-CG2 4.39Å
78	C	90.7	Very high	91.8	Very high	28 Å²	28	57.1 Å²	57.1	19%	0.189	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.6	169.8	-60.9	0	0	0	0	108.8	A46 L49 L70 V71	A46-C78 HydrophobicContact CB-CB 3.89Å; L49-C78 HydrophobicContact CD1-CB 4.41Å; L70-C78 HydrophobicContact CD1-CB 4.13Å; L70-C78 HydrophobicContact CG-CB 4.35Å; V71-C78 CarbonylContact O-C 3.51Å; V71-C78 WeakPolarHBondContact O-CA 3.14Å
79	V	90	Very high	91.6	Very high	25 Å²	25	59.8 Å²	59.8	15%	0.152	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.6	-179	-179.1	0	0	0	0	109.4	V71 K77 L121	V71-V79 PolarHBondContact N-O 3.4Å; V71-V79 PolarHBondContact O-N 3.37Å; K77-V79 HydrophobicContact CD-CG2 4.41Å; K77-V79 HydrophobicContact CG-CG2 4.39Å; V79-L121 HydrophobicContact CB-CB 4.42Å; V79-L121 HydrophobicContact CB-CD1 3.92Å; V79-L121 HydrophobicContact CB-CD2 3.92Å; V79-L121 HydrophobicContact CB-CG 4.28Å; V79-L121 HydrophobicContact CG1-CB 4.05Å; V79-L121 HydrophobicContact CG1-CD1 4.37Å; V79-L121 HydrophobicContact CG1-CD2 3.59Å; V79-L121 HydrophobicContact CG1-CG 4.17Å; V79-L121 HydrophobicContact CG2-CB 4.15Å; V79-L121 HydrophobicContact CG2-CD1 3.75Å; V79-L121 HydrophobicContact CG2-CG 4.32Å
80	Q	92.4	Very high	91.4	Very high	78 Å²	78	62.3 Å²	62.3	36%	0.364	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136.3	174.7	-67.9	173.9	-94.4	0	0	109.9	H42 Y58 E60 V68 L70	H42-Q80 PolarHBondContact CE1-OE1 3.23Å; H42-Q80 WeakPolarHBondContact ND1-CG 3.42Å; H42-Q80 PolarHBondContact ND1-OE1 3.37Å; Y58-Q80 PolarHBondContact OH-NE2 3.31Å; E60-Q80 PolarHBondContact OE1-NE2 3.15Å; V68-Q80 HydrophobicContact CG1-CB 3.81Å; V68-Q80 HydrophobicContact CG1-CG 3.92Å; L70-Q80 HydrophobicContact CD1-CG 3.64Å
81	I	92.9	Very high	91.4	Very high	23 Å²	23	62.4 Å²	62.4	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.8	174.9	-55.2	174.8	0	0	0	106.8	L69 V71 I93 F119 L121	L69-I81 HydrophobicContact CB-CB 4.25Å; L69-I81 HydrophobicContact CD2-CD1 4.33Å; L69-I81 PolarHBondContact N-O 3.1Å; L69-I81 PolarHBondContact O-N 3.29Å; V71-I81 HydrophobicContact CG1-CD1 3.98Å; I81-I93 HydrophobicContact CG2-CB 4.42Å; I81-I93 HydrophobicContact CG2-CG1 4.25Å; I81-I93 HydrophobicContact CG2-CG2 3.39Å; I81-F119 HydrophobicContact CD1-CB 4.2Å; I81-F119 HydrophobicContact CD1-CD1 3.7Å; I81-F119 HydrophobicContact CD1-CE1 4.39Å; I81-F119 HydrophobicContact CD1-CG 4.07Å; I81-L121 HydrophobicContact CD1-CD2 3.83Å; I81-L121 HydrophobicContact CG1-CD2 4.22Å
82	D	93.9	Very high	91.4	Very high	92 Å²	92	64.2 Å²	64.2	49%	0.492	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	131.1	178.3	-62	-31.5	0	0	0	110.3	N84	D82-N84 PolarHBondContact O-ND2 3.39Å
83	I	96.3	Very high	91.5	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	106.6	170.5	-54.9	175.8	0	0	0	106.7	I57 L67 L69 F91 I93 V105 L108 I109	I57-I83 HydrophobicContact CD1-CD1 4.04Å; I57-I83 HydrophobicContact CG1-CD1 4.41Å; I57-I83 HydrophobicContact CG2-CD1 4.21Å; L67-I83 HydrophobicContact CB-CB 3.99Å; L67-I83 HydrophobicContact CB-CD1 4.36Å; L67-I83 PolarHBondContact O-N 3.3Å; L69-I83 HydrophobicContact CB-CD1 4.1Å; L69-I83 HydrophobicContact CB-CG1 4.1Å; I83-F91 HydrophobicContact CG2-CB 4.42Å; I83-F91 HydrophobicContact CG2-CD1 4.2Å; I83-I93 HydrophobicContact CG1-CG1 4.34Å; I83-V105 HydrophobicContact CD1-CG1 3.94Å; I83-L108 HydrophobicContact CG2-CD2 3.95Å; I83-I109 HydrophobicContact CD1-CD1 4.48Å
84	N	95.4	Very high	91.4	Very high	66 Å²	66	65.7 Å²	65.7	35%	0.353	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	155.3	-178.1	-59	-78.8	0	0	0	110.5	D82 F91 W92	D82-N84 PolarHBondContact O-ND2 3.39Å; N84-F91 CarbonylContact O-C 3.58Å; N84-F91 VanDerWaalsContact O-CA 3.28Å; N84-F91 WeakPolarHBondContact O-CA 3.33Å; N84-W92 HydrophobicContact CB-CD2 3.75Å; N84-W92 HydrophobicContact CB-CE3 4.33Å; N84-W92 HydrophobicContact CB-CG 4.19Å; N84-W92 HydrophobicContact CB-CH2 4.02Å; N84-W92 HydrophobicContact CB-CZ2 3.43Å; N84-W92 VanDerWaalsContact CB-CZ2 3.43Å; N84-W92 HydrophobicContact CB-CZ3 4.46Å; N84-W92 PolarHBondContact N-O 3.14Å; N84-W92 PolarHBondContact O-N 2.57Å
85	Y	93.9	Very high	91.4	Very high	94 Å²	94	65.8 Å²	65.8	37%	0.369	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.7	171	63.5	-83.4	0	0	0	111.2	H90 F91 W92 P504	Y85-H90 WeakPolarHBondContact CA-O 3.1Å; Y85-F91 HydrophobicContact CG-CE1 4.43Å; Y85-W92 WeakPolarHBondContact O-CH2 3.47Å; Y85-P504 HydrophobicContact CD1-CB 4.09Å; Y85-P504 HydrophobicContact CD1-CG 3.78Å; Y85-P504 HydrophobicContact CD2-CB 4.17Å; Y85-P504 HydrophobicContact CE1-CB 4.16Å; Y85-P504 HydrophobicContact CE1-CG 3.53Å; Y85-P504 HydrophobicContact CE2-CB 4.24Å; Y85-P504 HydrophobicContact CE2-CG 4.36Å; Y85-P504 HydrophobicContact CG-CB 4.1Å; Y85-P504 HydrophobicContact CG-CG 4.3Å
86	N	91.5	Very high	91.2	Very high	32 Å²	32	65.5 Å²	65.5	17%	0.171	33%	0.33	C	S	.	.			trans	-115.7	179.3	-177	61.5	28.1	0	0	0	111.3	N88 H89 H90 W92 E98	N86-N88 PolarHBondContact O-N 2.82Å; N86-N88 VanDerWaalsContact O-N 3.12Å; N86-N88 WeakPolarHBondContact OD1-CA 3.4Å; N86-N88 WeakPolarHBondContact OD1-CB 3.25Å; N86-N88 PolarHBondContact OD1-N 3.16Å; N86-H89 PolarHBondContact O-N 3Å; N86-H89 PolarHBondContact OD1-N 3.07Å; N86-H90 PolarHBondContact N-O 2.91Å; N86-H90 PolarHBondContact OD1-N 3.06Å; N86-H90 VanDerWaalsContact OD1-N 3.16Å; N86-W92 HydrophobicContact CB-CH2 3.61Å; N86-W92 HydrophobicContact CB-CZ3 3.5Å; N86-E98 PolarHBondContact ND2-OE1 3.43Å
87	Q	90	Very high	91.3	Very high	177 Å²	177	62.4 Å²	62.4	83%	0.827	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.2	176.9	66.1	-172.1	-12.2	0	0	114.8
88	N	88.8	Confident	91.2	Very high	94 Å²	94	60.8 Å²	60.8	50%	0.503	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	8.9	173.9	-60.9	-26.1	0	0	0	111.8	N86 H90	N86-N88 PolarHBondContact O-N 2.82Å; N86-N88 VanDerWaalsContact O-N 3.12Å; N86-N88 WeakPolarHBondContact OD1-CA 3.4Å; N86-N88 WeakPolarHBondContact OD1-CB 3.25Å; N86-N88 PolarHBondContact OD1-N 3.16Å; N88-H90 PolarHBondContact O-CD2 2.82Å; N88-H90 PolarHBondContact O-N 2.88Å
89	H	90.6	Very high	90.9	Very high	56 Å²	56	67.3 Å²	67.3	26%	0.259	33%	0.329	S	S	.	.			trans	59.5	29.7	-179.2	-51.9	-75.9	0	0	0	113.8	N86 F91 H507	N86-H89 PolarHBondContact O-N 3Å; N86-H89 PolarHBondContact OD1-N 3.07Å; H89-F91 WeakPolarHBondContact O-CD2 3.23Å; H89-F91 WeakPolarHBondContact O-CE2 3.19Å; H89-H507 VanDerWaalsContact CB-CD2 3.49Å; H89-H507 WeakPolarHBondContact CB-CD2 3.12Å; H89-H507 WeakPolarHBondContact CB-NE2 3.42Å; H89-H507 AromaticContact CD2-NE2 3.26Å; H89-H507 PolarHBondContact CD2-NE2 3.36Å; H89-H507 VanDerWaalsContact CD2-NE2 3.26Å; H89-H507 AromaticContact CG-CD2 3.97Å; H89-H507 AromaticContact CG-NE2 3.34Å; H89-H507 VanDerWaalsContact CG-NE2 3.34Å
90	H	92	Very high	90.7	Very high	53 Å²	53	73.3 Å²	73.3	25%	0.245	35%	0.35	C	S	.	.			trans	-89.5	138.4	170	-63.7	166.9	0	0	0	110.1	Y85 N86 N88 W92 G101 Y102	Y85-H90 WeakPolarHBondContact CA-O 3.1Å; N86-H90 PolarHBondContact N-O 2.91Å; N86-H90 PolarHBondContact OD1-N 3.06Å; N86-H90 VanDerWaalsContact OD1-N 3.16Å; N88-H90 PolarHBondContact O-CD2 2.82Å; N88-H90 PolarHBondContact O-N 2.88Å; H90-W92 VanDerWaalsContact O-CE3 3.3Å; H90-W92 VanDerWaalsContact O-CZ3 3.22Å; H90-W92 WeakPolarHBondContact O-CZ3 3.36Å; H90-G101 WeakPolarHBondContact ND1-CA 2.9Å; H90-Y102 CarbonylContact C-O 3.6Å; H90-Y102 VanDerWaalsContact CA-O 3.32Å; H90-Y102 WeakPolarHBondContact CA-O 3.44Å
91	F	95.1	Very high	90.5	Very high	1 Å²	1	70.5 Å²	70.5	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.5	-177.8	-61.8	-93.8	0	0	0	111.4	L67 I83 N84 Y85 H89 Y102 V105 L108 P504 E506	L67-F91 HydrophobicContact CD1-CE1 4.32Å; I83-F91 HydrophobicContact CG2-CB 4.42Å; I83-F91 HydrophobicContact CG2-CD1 4.2Å; N84-F91 CarbonylContact O-C 3.58Å; N84-F91 VanDerWaalsContact O-CA 3.28Å; N84-F91 WeakPolarHBondContact O-CA 3.33Å; Y85-F91 HydrophobicContact CG-CE1 4.43Å; H89-F91 WeakPolarHBondContact O-CD2 3.23Å; H89-F91 WeakPolarHBondContact O-CE2 3.19Å; F91-Y102 WeakPolarHBondContact CD2-O 3.44Å; F91-Y102 PolarHBondContact N-O 2.86Å; F91-V105 HydrophobicContact CD1-CG2 3.56Å; F91-V105 HydrophobicContact CE1-CG2 3.66Å; F91-V105 HydrophobicContact CG-CG2 4.04Å; F91-V105 HydrophobicContact CZ-CG2 4.24Å; F91-L108 HydrophobicContact CB-CD2 4.02Å; F91-P504 HydrophobicContact CE1-CB 3.75Å; F91-P504 HydrophobicContact CE1-CG 4.37Å; F91-P504 HydrophobicContact CZ-CB 3.86Å; F91-E506 HydrophobicContact CE2-CG 3.71Å; F91-E506 HydrophobicContact CZ-CG 3.62Å
92	W	94.3	Very high	90.4	Very high	38 Å²	38	70.8 Å²	70.8	14%	0.144	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	153.8	176.7	70.5	96	0	0	0	113.2	N84 Y85 N86 H90 D97 E98	N84-W92 HydrophobicContact CB-CD2 3.75Å; N84-W92 HydrophobicContact CB-CE3 4.33Å; N84-W92 HydrophobicContact CB-CG 4.19Å; N84-W92 HydrophobicContact CB-CH2 4.02Å; N84-W92 HydrophobicContact CB-CZ2 3.43Å; N84-W92 VanDerWaalsContact CB-CZ2 3.43Å; N84-W92 HydrophobicContact CB-CZ3 4.46Å; N84-W92 PolarHBondContact N-O 3.14Å; N84-W92 PolarHBondContact O-N 2.57Å; Y85-W92 WeakPolarHBondContact O-CH2 3.47Å; N86-W92 HydrophobicContact CB-CH2 3.61Å; N86-W92 HydrophobicContact CB-CZ3 3.5Å; H90-W92 VanDerWaalsContact O-CE3 3.3Å; H90-W92 VanDerWaalsContact O-CZ3 3.22Å; H90-W92 WeakPolarHBondContact O-CZ3 3.36Å; W92-D97 HydrophobicContact CB-CB 3.73Å; W92-E98 HydrophobicContact CB-CB 4.26Å; W92-E98 HydrophobicContact CD2-CB 4.14Å; W92-E98 HydrophobicContact CD2-CG 4.25Å; W92-E98 HydrophobicContact CE3-CB 4.4Å; W92-E98 HydrophobicContact CE3-CG 4.11Å; W92-E98 HydrophobicContact CG-CB 4.08Å; W92-E98 HydrophobicContact CZ3-CG 4.47Å
93	I	93.4	Very high	90.3	Very high	17 Å²	17	67.2 Å²	67.2	9%	0.087	32%	0.324	C	S	.	.	S	Bend	trans	-107.5	-51.9	168.8	-73.3	161.1	0	0	0	109.4	L69 I81 I83 D97 L108 I109 F119	L69-I93 HydrophobicContact CD2-CD1 3.71Å; I81-I93 HydrophobicContact CG2-CB 4.42Å; I81-I93 HydrophobicContact CG2-CG1 4.25Å; I81-I93 HydrophobicContact CG2-CG2 3.39Å; I83-I93 HydrophobicContact CG1-CG1 4.34Å; I93-D97 PolarHBondContact N-OD2 3.06Å; I93-L108 HydrophobicContact CD1-CD2 4.22Å; I93-L108 HydrophobicContact CD1-CG 4.48Å; I93-L108 HydrophobicContact CG1-CD2 4.13Å; I93-I109 HydrophobicContact CD1-CD1 4.19Å; I93-F119 HydrophobicContact CD1-CE1 4.06Å; I93-F119 HydrophobicContact CD1-CZ 4.45Å; I93-F119 HydrophobicContact CG2-CD1 4.3Å; I93-F119 HydrophobicContact CG2-CE1 3.88Å
94	Y	88.1	Confident	90.2	Very high	74 Å²	74	66.9 Å²	66.9	29%	0.29	32%	0.323	S	S	.	.	S	Bend	trans	-94.5	151.2	173.2	-68.2	-66.1	0	0	0	111.1	M96 D97 T117 F119 K120	Y94-M96 PolarHBondContact O-N 3.28Å; Y94-M96 VanDerWaalsContact O-N 3.12Å; Y94-D97 WeakPolarHBondContact CB-OD2 3.02Å; Y94-D97 PolarHBondContact N-OD2 2.7Å; Y94-D97 WeakPolarHBondContact O-CB 3.39Å; Y94-D97 PolarHBondContact O-N 3.01Å; Y94-T117 HydrophobicContact CE2-CG2 4.41Å; Y94-F119 AromaticContact CE2-CD1 3.62Å; Y94-F119 HydrophobicContact CE2-CD1 3.62Å; Y94-F119 AromaticContact CE2-CE1 3.74Å; Y94-F119 HydrophobicContact CE2-CE1 3.74Å; Y94-F119 AromaticContact CZ-CD1 3.85Å; Y94-F119 VanDerWaalsContact OH-CA 3.25Å; Y94-F119 WeakPolarHBondContact OH-CA 3.23Å; Y94-F119 WeakPolarHBondContact OH-CD1 3.32Å; Y94-K120 PolarHBondContact OH-N 3.18Å
95	P	85.9	Confident	90.1	Very high	103 Å²	103	63.8 Å²	63.8	67%	0.669	31%	0.306	S	S	*	.	H	α-helix	trans	-55	-31.3	175.2	-27.6	35.3	0	0	0	113.9	D97 E98	P95-D97 VanDerWaalsContact C-N 3.27Å; P95-D97 PolarHBondContact O-N 3.43Å; P95-E98 WeakPolarHBondContact O-CB 3.41Å; P95-E98 PolarHBondContact O-N 3.28Å
96	M	84.4	Confident	90	Very high	122 Å²	122	59.4 Å²	59.4	60%	0.601	29%	0.289	S	S	*	.	H	α-helix	trans	-70.1	-24.2	175.9	-172.8	170	-87.9	0	0	112.5	Y94 E98 E99 Y100	Y94-M96 PolarHBondContact O-N 3.28Å; Y94-M96 VanDerWaalsContact O-N 3.12Å; M96-E98 PolarHBondContact O-N 2.9Å; M96-E99 PolarHBondContact O-N 2.99Å; M96-Y100 HydrophobicContact CG-CE2 4.3Å; M96-Y100 WeakPolarHBondContact O-CD2 3.43Å
97	D	88.1	Confident	89.9	Confident	12 Å²	12	59 Å²	59	6%	0.064	29%	0.29	C	S	.	.	H	α-helix	trans	-69.6	-26.9	176.8	-53.4	-37.9	0	0	0	111.6	W92 I93 Y94 P95 E99 Y100 Y102 L108 H112	W92-D97 HydrophobicContact CB-CB 3.73Å; I93-D97 PolarHBondContact N-OD2 3.06Å; Y94-D97 WeakPolarHBondContact CB-OD2 3.02Å; Y94-D97 PolarHBondContact N-OD2 2.7Å; Y94-D97 WeakPolarHBondContact O-CB 3.39Å; Y94-D97 PolarHBondContact O-N 3.01Å; P95-D97 VanDerWaalsContact C-N 3.27Å; P95-D97 PolarHBondContact O-N 3.43Å; D97-E99 PolarHBondContact O-N 2.79Å; D97-Y100 PolarHBondContact O-N 3.25Å; D97-Y100 VanDerWaalsContact O-N 3.12Å; D97-Y102 HydrophobicContact CB-CD2 4.35Å; D97-Y102 HydrophobicContact CB-CE2 4.02Å; D97-L108 HydrophobicContact CB-CD1 4.04Å; D97-H112 IonicContact OD1-CE1 3.56Å; D97-H112 PolarHBondContact OD1-CE1 2.89Å; D97-H112 IonicContact OD1-NE2 3.42Å; D97-H112 IonicContact OD2-CE1 3.91Å; D97-H112 PolarHBondContact OD2-CE1 3.44Å; D97-H112 IonicContact OD2-NE2 2.88Å; D97-H112 PolarHBondContact OD2-NE2 3.3Å
98	E	86.6	Confident	89.9	Confident	85 Å²	85	50.6 Å²	50.6	40%	0.397	25%	0.251	S	S	.	.	H	α-helix	trans	-62.2	-32.6	177.8	-169.3	174.6	-164.8	0	0	111.8	N86 W92 P95 M96 Y100 G101	N86-E98 PolarHBondContact ND2-OE1 3.43Å; W92-E98 HydrophobicContact CB-CB 4.26Å; W92-E98 HydrophobicContact CD2-CB 4.14Å; W92-E98 HydrophobicContact CD2-CG 4.25Å; W92-E98 HydrophobicContact CE3-CB 4.4Å; W92-E98 HydrophobicContact CE3-CG 4.11Å; W92-E98 HydrophobicContact CG-CB 4.08Å; W92-E98 HydrophobicContact CZ3-CG 4.47Å; P95-E98 WeakPolarHBondContact O-CB 3.41Å; P95-E98 PolarHBondContact O-N 3.28Å; M96-E98 PolarHBondContact O-N 2.9Å; E98-Y100 VanDerWaalsContact C-N 3.28Å; E98-Y100 PolarHBondContact O-N 3.25Å; E98-G101 PolarHBondContact O-N 2.78Å
99	E	85.4	Confident	90	Very high	166 Å²	166	46.1 Å²	46.1	78%	0.776	23%	0.227	S	C	*	.	H	α-helix	trans	-67.6	-26.7	177.2	-63.9	-174.9	177.6	0	0	112.8	M96 D97	M96-E99 PolarHBondContact O-N 2.99Å; D97-E99 PolarHBondContact O-N 2.79Å
100	Y	85.9	Confident	89.8	Confident	151 Å²	151	44.4 Å²	44.4	59%	0.592	22%	0.218	S	C	*	.	H	α-helix	trans	-81.1	-17.5	177.6	-64.3	-66.8	0	0	0	113.2	M96 D97 E98 Y102	M96-Y100 HydrophobicContact CG-CE2 4.3Å; M96-Y100 WeakPolarHBondContact O-CD2 3.43Å; D97-Y100 PolarHBondContact O-N 3.25Å; D97-Y100 VanDerWaalsContact O-N 3.12Å; E98-Y100 VanDerWaalsContact C-N 3.28Å; E98-Y100 PolarHBondContact O-N 3.25Å; Y100-Y102 HydrophobicContact CD2-CE2 4.1Å; Y100-Y102 HydrophobicContact CG-CE2 4.22Å
101	G	88.1	Confident	89.4	Confident	19 Å²	19	42.9 Å²	42.9	20%	0.196	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	46.5	173.6	0	0	0	0	0	114.6	H90 E98 S103	H90-G101 WeakPolarHBondContact ND1-CA 2.9Å; E98-G101 PolarHBondContact O-N 2.78Å; G101-S103 PolarHBondContact O-N 2.78Å; G101-S103 VanDerWaalsContact O-N 3.13Å
102	Y	91.6	Very high	89	Confident	29 Å²	29	43 Å²	43	11%	0.114	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-60.4	116.5	178.9	-62.5	-76.1	0	0	0	111	H90 F91 D97 Y100 T104 A107 L108 N111	H90-Y102 CarbonylContact C-O 3.6Å; H90-Y102 VanDerWaalsContact CA-O 3.32Å; H90-Y102 WeakPolarHBondContact CA-O 3.44Å; F91-Y102 WeakPolarHBondContact CD2-O 3.44Å; F91-Y102 PolarHBondContact N-O 2.86Å; D97-Y102 HydrophobicContact CB-CD2 4.35Å; D97-Y102 HydrophobicContact CB-CE2 4.02Å; Y100-Y102 HydrophobicContact CD2-CE2 4.1Å; Y100-Y102 HydrophobicContact CG-CE2 4.22Å; Y102-T104 VanDerWaalsContact C-N 3.27Å; Y102-T104 PolarHBondContact O-N 3.4Å; Y102-A107 HydrophobicContact CD1-CB 4.14Å; Y102-L108 HydrophobicContact CD2-CB 4.23Å; Y102-L108 HydrophobicContact CD2-CD1 3.5Å; Y102-L108 HydrophobicContact CD2-CG 4.47Å; Y102-L108 HydrophobicContact CE2-CD1 3.76Å; Y102-L108 HydrophobicContact CG-CB 4.01Å; Y102-L108 HydrophobicContact CG-CD1 4.16Å; Y102-N111 HydrophobicContact CE1-CB 3.94Å; Y102-N111 PolarHBondContact OH-ND2 3.46Å
103	S	91.3	Very high	88.5	Confident	16 Å²	16	41.8 Å²	41.8	11%	0.112	21%	0.209	C	C	.	.	S	Bend	trans	-81.2	-3.1	-177	66.3	0	0	0	0	114.7	G101 H507	G101-S103 PolarHBondContact O-N 2.78Å; G101-S103 VanDerWaalsContact O-N 3.13Å; S103-H507 WeakPolarHBondContact CB-O 3.42Å; S103-H507 PolarHBondContact O-N 3.36Å; S103-H507 PolarHBondContact OG-O 3.39Å
104	T	93.5	Very high	87.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-147.8	148.7	179.4	62.6	0	0	0	0	110.5	S27 Y102 D106 A107 L108 L496 E506 H507	S27-T104 VanDerWaalsContact CB-OG1 3.26Å; S27-T104 WeakPolarHBondContact CB-OG1 3.47Å; S27-T104 PolarHBondContact OG-OG1 2.92Å; Y102-T104 VanDerWaalsContact C-N 3.27Å; Y102-T104 PolarHBondContact O-N 3.4Å; T104-D106 VanDerWaalsContact C-N 3.29Å; T104-D106 PolarHBondContact O-N 2.77Å; T104-A107 PolarHBondContact O-N 3.1Å; T104-A107 WeakPolarHBondContact OG1-CB 3.16Å; T104-A107 PolarHBondContact OG1-N 3.2Å; T104-A107 VanDerWaalsContact OG1-N 3.13Å; T104-L108 PolarHBondContact O-N 3.33Å; T104-L496 HydrophobicContact CG2-CD1 3.63Å; T104-E506 WeakPolarHBondContact CA-OE1 3.12Å; T104-E506 VanDerWaalsContact CB-OE1 3.23Å; T104-E506 WeakPolarHBondContact CB-OE1 3.25Å; T104-E506 HydrophobicContact CG2-CB 4.09Å; T104-H507 WeakPolarHBondContact CG2-O 3.11Å
105	V	94.4	Very high	87.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-40.2	173.1	178.7	0	0	0	0	110.7	V30 I57 L67 I83 F91 A107 L108 I109 E506	V30-V105 HydrophobicContact CB-CB 4.3Å; V30-V105 HydrophobicContact CB-CG2 4.28Å; V30-V105 HydrophobicContact CG2-CB 4.14Å; V30-V105 HydrophobicContact CG2-CG1 4.08Å; V30-V105 HydrophobicContact CG2-CG2 4.21Å; I57-V105 HydrophobicContact CD1-CG1 3.63Å; L67-V105 HydrophobicContact CD1-CG2 3.73Å; I83-V105 HydrophobicContact CD1-CG1 3.94Å; F91-V105 HydrophobicContact CD1-CG2 3.56Å; F91-V105 HydrophobicContact CE1-CG2 3.66Å; F91-V105 HydrophobicContact CG-CG2 4.04Å; F91-V105 HydrophobicContact CZ-CG2 4.24Å; V105-A107 VanDerWaalsContact C-N 3.35Å; V105-A107 PolarHBondContact O-N 3.01Å; V105-L108 WeakPolarHBondContact O-CB 3.36Å; V105-L108 PolarHBondContact O-N 2.82Å; V105-I109 HydrophobicContact CG1-CG1 4.02Å; V105-I109 WeakPolarHBondContact O-CB 3.48Å; V105-I109 VanDerWaalsContact O-CG1 3.23Å; V105-I109 WeakPolarHBondContact O-CG1 3.36Å; V105-I109 PolarHBondContact O-N 3.21Å; V105-E506 PolarHBondContact N-OE1 3.48Å
106	D	91.6	Very high	87.1	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.011	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-42.1	177.9	175.1	52.4	0	0	0	112.3	Y16 S27 I28 L33 T104 R110	Y16-D106 PolarHBondContact OH-OD1 2.98Å; S27-D106 WeakPolarHBondContact CA-OD2 3.41Å; I28-D106 HydrophobicContact CB-CB 4.4Å; I28-D106 PolarHBondContact N-OD2 3.29Å; I28-D106 VanDerWaalsContact O-CB 3.25Å; I28-D106 WeakPolarHBondContact O-CB 3.29Å; L33-D106 HydrophobicContact CD1-CB 4.36Å; L33-D106 HydrophobicContact CD2-CB 4.02Å; T104-D106 VanDerWaalsContact C-N 3.29Å; T104-D106 PolarHBondContact O-N 2.77Å; D106-R110 VanDerWaalsContact CG-NE 3.32Å; D106-R110 WeakPolarHBondContact O-CB 3.47Å; D106-R110 VanDerWaalsContact O-CG 3.27Å; D106-R110 WeakPolarHBondContact O-CG 3.17Å; D106-R110 PolarHBondContact O-N 3.34Å; D106-R110 IonicContact OD1-NE 3.48Å; D106-R110 PolarHBondContact OD1-NE 3.44Å; D106-R110 IonicContact OD2-CZ 2.75Å; D106-R110 IonicContact OD2-NE 2.92Å; D106-R110 PolarHBondContact OD2-NE 2.78Å; D106-R110 IonicContact OD2-NH2 2.82Å; D106-R110 PolarHBondContact OD2-NH2 3.32Å
107	A	88.3	Confident	87	Confident	24 Å²	24	36.5 Å²	36.5	20%	0.198	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-42.4	176.2	0	0	0	0	0	112.3	Y102 T104 V105 N111	Y102-A107 HydrophobicContact CD1-CB 4.14Å; T104-A107 PolarHBondContact O-N 3.1Å; T104-A107 WeakPolarHBondContact OG1-CB 3.16Å; T104-A107 PolarHBondContact OG1-N 3.2Å; T104-A107 VanDerWaalsContact OG1-N 3.13Å; V105-A107 VanDerWaalsContact C-N 3.35Å; V105-A107 PolarHBondContact O-N 3.01Å; A107-N111 WeakPolarHBondContact O-CB 3.32Å; A107-N111 PolarHBondContact O-N 2.99Å
108	L	91.7	Very high	86.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-51.3	176	174.1	66.8	0	0	0	111.2	I83 F91 I93 D97 Y102 T104 V105 N111 H112	I83-L108 HydrophobicContact CG2-CD2 3.95Å; F91-L108 HydrophobicContact CB-CD2 4.02Å; I93-L108 HydrophobicContact CD1-CD2 4.22Å; I93-L108 HydrophobicContact CD1-CG 4.48Å; I93-L108 HydrophobicContact CG1-CD2 4.13Å; D97-L108 HydrophobicContact CB-CD1 4.04Å; Y102-L108 HydrophobicContact CD2-CB 4.23Å; Y102-L108 HydrophobicContact CD2-CD1 3.5Å; Y102-L108 HydrophobicContact CD2-CG 4.47Å; Y102-L108 HydrophobicContact CE2-CD1 3.76Å; Y102-L108 HydrophobicContact CG-CB 4.01Å; Y102-L108 HydrophobicContact CG-CD1 4.16Å; T104-L108 PolarHBondContact O-N 3.33Å; V105-L108 WeakPolarHBondContact O-CB 3.36Å; V105-L108 PolarHBondContact O-N 2.82Å; L108-N111 WeakPolarHBondContact O-CB 3.48Å; L108-N111 PolarHBondContact O-N 2.83Å; L108-H112 WeakPolarHBondContact CD1-NE2 3.47Å; L108-H112 PolarHBondContact O-CD2 2.81Å; L108-H112 PolarHBondContact O-N 2.82Å; L108-H112 VanDerWaalsContact O-N 3.16Å
109	I	90.8	Very high	86.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69.2	-42.9	-176.7	-62.2	-69.9	0	0	0	111.3	Y35 F55 I57 L69 I83 I93 V105 N111 H112 V113 L129	Y35-I109 HydrophobicContact CE2-CG2 4.32Å; F55-I109 HydrophobicContact CE2-CG2 3.88Å; F55-I109 HydrophobicContact CZ-CG2 4.4Å; I57-I109 HydrophobicContact CD1-CD1 4.2Å; I57-I109 HydrophobicContact CD1-CG1 3.92Å; L69-I109 HydrophobicContact CD1-CD1 4.13Å; L69-I109 HydrophobicContact CD2-CD1 3.93Å; I83-I109 HydrophobicContact CD1-CD1 4.48Å; I93-I109 HydrophobicContact CD1-CD1 4.19Å; V105-I109 HydrophobicContact CG1-CG1 4.02Å; V105-I109 WeakPolarHBondContact O-CB 3.48Å; V105-I109 VanDerWaalsContact O-CG1 3.23Å; V105-I109 WeakPolarHBondContact O-CG1 3.36Å; V105-I109 PolarHBondContact O-N 3.21Å; I109-N111 PolarHBondContact O-N 3.37Å; I109-H112 PolarHBondContact O-N 3.31Å; I109-V113 HydrophobicContact CG2-CG2 4.33Å; I109-V113 WeakPolarHBondContact O-CG2 3.4Å; I109-V113 PolarHBondContact O-N 3.1Å; I109-L129 HydrophobicContact CD1-CD1 4.46Å; I109-L129 HydrophobicContact CG2-CD1 4.44Å
110	R	85	Confident	86.7	Confident	20 Å²	20	33 Å²	33	8%	0.075	17%	0.173	C	C	.	.	H	α-helix	trans	-55.6	-42.6	173.2	-81.9	-170.6	-75.4	157.1	-3.9	111.3	Y16 L25 P26 S27 D106 N114	Y16-R110 HydrophobicContact CD1-CG 4.26Å; Y16-R110 HydrophobicContact CE1-CB 4.32Å; Y16-R110 HydrophobicContact CE1-CG 3.5Å; L25-R110 PolarHBondContact O-NH1 3.35Å; P26-R110 PolarHBondContact O-NH2 3.37Å; S27-R110 PolarHBondContact OG-NH2 3.26Å; D106-R110 VanDerWaalsContact CG-NE 3.32Å; D106-R110 WeakPolarHBondContact O-CB 3.47Å; D106-R110 VanDerWaalsContact O-CG 3.27Å; D106-R110 WeakPolarHBondContact O-CG 3.17Å; D106-R110 PolarHBondContact O-N 3.34Å; D106-R110 IonicContact OD1-NE 3.48Å; D106-R110 PolarHBondContact OD1-NE 3.44Å; D106-R110 IonicContact OD2-CZ 2.75Å; D106-R110 IonicContact OD2-NE 2.92Å; D106-R110 PolarHBondContact OD2-NE 2.78Å; D106-R110 IonicContact OD2-NH2 2.82Å; D106-R110 PolarHBondContact OD2-NH2 3.32Å; R110-N114 WeakPolarHBondContact O-CB 3.32Å; R110-N114 PolarHBondContact O-N 3.26Å; R110-N114 PolarHBondContact O-ND2 3.22Å; R110-N114 VanDerWaalsContact O-ND2 3.17Å
111	N	83.5	Confident	86.3	Confident	22 Å²	22	27.6 Å²	27.6	12%	0.118	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-48.7	177.4	-175.7	70.9	0	0	0	111.8	F21 Y102 A107 L108 I109 V113 N114 M115	F21-N111 VanDerWaalsContact CE1-OD1 3.23Å; F21-N111 WeakPolarHBondContact CE1-OD1 3.47Å; Y102-N111 HydrophobicContact CE1-CB 3.94Å; Y102-N111 PolarHBondContact OH-ND2 3.46Å; A107-N111 WeakPolarHBondContact O-CB 3.32Å; A107-N111 PolarHBondContact O-N 2.99Å; L108-N111 WeakPolarHBondContact O-CB 3.48Å; L108-N111 PolarHBondContact O-N 2.83Å; I109-N111 PolarHBondContact O-N 3.37Å; N111-V113 PolarHBondContact O-N 2.67Å; N111-N114 PolarHBondContact O-N 3.49Å; N111-M115 WeakPolarHBondContact O-CB 3.42Å; N111-M115 VanDerWaalsContact O-CG 3.32Å; N111-M115 WeakPolarHBondContact O-CG 3.12Å; N111-M115 PolarHBondContact O-N 3.48Å
112	H	86.6	Confident	85.7	Confident	3 Å²	3	30.1 Å²	30.1	1%	0.014	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-39.5	-179.9	-72.6	-58.2	0	0	0	114	D97 L108 I109 S116 T117 F119 L129	D97-H112 IonicContact OD1-CE1 3.56Å; D97-H112 PolarHBondContact OD1-CE1 2.89Å; D97-H112 IonicContact OD1-NE2 3.42Å; D97-H112 IonicContact OD2-CE1 3.91Å; D97-H112 PolarHBondContact OD2-CE1 3.44Å; D97-H112 IonicContact OD2-NE2 2.88Å; D97-H112 PolarHBondContact OD2-NE2 3.3Å; L108-H112 WeakPolarHBondContact CD1-NE2 3.47Å; L108-H112 PolarHBondContact O-CD2 2.81Å; L108-H112 PolarHBondContact O-N 2.82Å; L108-H112 VanDerWaalsContact O-N 3.16Å; I109-H112 PolarHBondContact O-N 3.31Å; H112-S116 PolarHBondContact O-N 2.94Å; H112-S116 VanDerWaalsContact O-N 3.14Å; H112-T117 PolarHBondContact ND1-OG1 3.21Å; H112-T117 VanDerWaalsContact ND1-OG1 3.17Å; H112-T117 PolarHBondContact O-N 3.25Å; H112-T117 PolarHBondContact O-OG1 2.86Å; H112-F119 HydrophobicContact CB-CE2 4.13Å; H112-F119 HydrophobicContact CB-CZ 3.75Å; H112-F119 AromaticContact CD2-CZ 3.98Å; H112-F119 AromaticContact CG-CZ 3.61Å; H112-F119 AromaticContact ND1-CZ 3.87Å; H112-L129 HydrophobicContact CB-CD1 3.99Å
113	V	84.5	Confident	85	Confident	12 Å²	12	37 Å²	37	7%	0.073	20%	0.196	C	C	.	.	H	α-helix	trans	-63	-48.2	174.4	175.3	0	0	0	0	110.1	Y16 F55 I109 N111 M115 S116 L129	Y16-V113 HydrophobicContact CD1-CB 3.83Å; Y16-V113 HydrophobicContact CD1-CG1 3.71Å; Y16-V113 HydrophobicContact CD1-CG2 3.9Å; Y16-V113 HydrophobicContact CE1-CB 4.46Å; Y16-V113 HydrophobicContact CE1-CG2 4.19Å; Y16-V113 HydrophobicContact CG-CG1 4.31Å; Y16-V113 WeakPolarHBondContact O-CG1 3.46Å; F55-V113 HydrophobicContact CE1-CG2 4.14Å; F55-V113 HydrophobicContact CZ-CG2 3.8Å; I109-V113 HydrophobicContact CG2-CG2 4.33Å; I109-V113 WeakPolarHBondContact O-CG2 3.4Å; I109-V113 PolarHBondContact O-N 3.1Å; N111-V113 PolarHBondContact O-N 2.67Å; V113-M115 VanDerWaalsContact C-N 3.35Å; V113-M115 PolarHBondContact O-N 2.73Å; V113-S116 PolarHBondContact O-N 2.72Å; V113-L129 HydrophobicContact CG2-CB 3.59Å; V113-L129 HydrophobicContact CG2-CD1 4.26Å
114	N	76	Confident	84.3	Confident	29 Å²	29	40.2 Å²	40.2	16%	0.155	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-40.2	-179	-79.4	-18.2	0	0	0	113.1	L15 R110 N111 S116	L15-N114 PolarHBondContact O-OD1 2.8Å; R110-N114 WeakPolarHBondContact O-CB 3.32Å; R110-N114 PolarHBondContact O-N 3.26Å; R110-N114 PolarHBondContact O-ND2 3.22Å; R110-N114 VanDerWaalsContact O-ND2 3.17Å; N111-N114 PolarHBondContact O-N 3.49Å; N114-S116 PolarHBondContact O-N 2.98Å
115	M	79.8	Confident	83.5	Confident	83 Å²	83	40.3 Å²	40.3	41%	0.409	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.4	176.4	-67.2	-59	-69.6	0	0	112.7	F21 N111 V113 T117	F21-M115 HydrophobicContact CD2-SD 4.48Å; F21-M115 HydrophobicContact CE2-CG 4.44Å; F21-M115 HydrophobicContact CE2-SD 3.42Å; F21-M115 WeakPolarHBondContact CE2-SD 3.47Å; F21-M115 HydrophobicContact CZ-CG 4.26Å; F21-M115 HydrophobicContact CZ-SD 3.7Å; N111-M115 WeakPolarHBondContact O-CB 3.42Å; N111-M115 VanDerWaalsContact O-CG 3.32Å; N111-M115 WeakPolarHBondContact O-CG 3.12Å; N111-M115 PolarHBondContact O-N 3.48Å; V113-M115 VanDerWaalsContact C-N 3.35Å; V113-M115 PolarHBondContact O-N 2.73Å; M115-T117 PolarHBondContact O-N 3.09Å
116	S	81.9	Confident	83.1	Confident	60 Å²	60	44.2 Å²	44.2	42%	0.42	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	41.4	-171.1	-65.2	0	0	0	0	111.6	H112 V113 N114 T118	H112-S116 PolarHBondContact O-N 2.94Å; H112-S116 VanDerWaalsContact O-N 3.14Å; V113-S116 PolarHBondContact O-N 2.72Å; N114-S116 PolarHBondContact O-N 2.98Å; S116-T118 PolarHBondContact O-N 2.67Å
117	T	82.5	Confident	82.8	Confident	33 Å²	33	44.2 Å²	44.2	20%	0.202	24%	0.235	C	C	.	.			trans	-55.1	128	-176	-58.4	0	0	0	0	109	Y94 H112 M115 F119	Y94-T117 HydrophobicContact CE2-CG2 4.41Å; H112-T117 PolarHBondContact ND1-OG1 3.21Å; H112-T117 VanDerWaalsContact ND1-OG1 3.17Å; H112-T117 PolarHBondContact O-N 3.25Å; H112-T117 PolarHBondContact O-OG1 2.86Å; M115-T117 PolarHBondContact O-N 3.09Å; T117-F119 HydrophobicContact CG2-CE2 4.18Å; T117-F119 HydrophobicContact CG2-CZ 4.32Å; T117-F119 WeakPolarHBondContact O-CD2 3.25Å
118	T	86.5	Confident	82.9	Confident	61 Å²	61	48.6 Å²	48.6	37%	0.374	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.4	176.3	-57.6	0	0	0	0	108.3	S116 K120 F126 A127 R128	S116-T118 PolarHBondContact O-N 2.67Å; T118-K120 PolarHBondContact O-N 3.45Å; T118-F126 HydrophobicContact CG2-CB 3.7Å; T118-F126 HydrophobicContact CG2-CD1 3.82Å; T118-F126 HydrophobicContact CG2-CG 4.1Å; T118-A127 CarbonylContact C-O 3.54Å; T118-A127 WeakPolarHBondContact CA-O 3.26Å; T118-R128 PolarHBondContact OG1-NE 2.86Å; T118-R128 PolarHBondContact OG1-NH2 2.93Å
119	F	85.7	Confident	82.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.9	177.9	-66.6	-95.3	0	0	0	108.9	I81 I93 Y94 H112 T117 L121 F126 A127 L129	I81-F119 HydrophobicContact CD1-CB 4.2Å; I81-F119 HydrophobicContact CD1-CD1 3.7Å; I81-F119 HydrophobicContact CD1-CE1 4.39Å; I81-F119 HydrophobicContact CD1-CG 4.07Å; I93-F119 HydrophobicContact CD1-CE1 4.06Å; I93-F119 HydrophobicContact CD1-CZ 4.45Å; I93-F119 HydrophobicContact CG2-CD1 4.3Å; I93-F119 HydrophobicContact CG2-CE1 3.88Å; Y94-F119 AromaticContact CE2-CD1 3.62Å; Y94-F119 HydrophobicContact CE2-CD1 3.62Å; Y94-F119 AromaticContact CE2-CE1 3.74Å; Y94-F119 HydrophobicContact CE2-CE1 3.74Å; Y94-F119 AromaticContact CZ-CD1 3.85Å; Y94-F119 VanDerWaalsContact OH-CA 3.25Å; Y94-F119 WeakPolarHBondContact OH-CA 3.23Å; Y94-F119 WeakPolarHBondContact OH-CD1 3.32Å; H112-F119 HydrophobicContact CB-CE2 4.13Å; H112-F119 HydrophobicContact CB-CZ 3.75Å; H112-F119 AromaticContact CD2-CZ 3.98Å; H112-F119 AromaticContact CG-CZ 3.61Å; H112-F119 AromaticContact ND1-CZ 3.87Å; T117-F119 HydrophobicContact CG2-CE2 4.18Å; T117-F119 HydrophobicContact CG2-CZ 4.32Å; T117-F119 WeakPolarHBondContact O-CD2 3.25Å; F119-L121 HydrophobicContact CB-CD2 4.04Å; F119-L121 PolarHBondContact O-N 3.34Å; F119-F126 VanDerWaalsContact O-CA 3.25Å; F119-F126 WeakPolarHBondContact O-CA 3.19Å; F119-A127 PolarHBondContact N-O 3.11Å; F119-A127 PolarHBondContact O-N 2.82Å; F119-L129 HydrophobicContact CD2-CG 4.22Å; F119-L129 HydrophobicContact CE2-CD1 3.71Å; F119-L129 HydrophobicContact CE2-CD2 4.22Å; F119-L129 HydrophobicContact CE2-CG 3.56Å; F119-L129 HydrophobicContact CZ-CD1 3.82Å; F119-L129 HydrophobicContact CZ-CG 4.17Å
120	K	81.5	Confident	82.4	Confident	130 Å²	130	53.3 Å²	53.3	57%	0.565	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	112.2	171.2	-174.3	177.8	-179.3	-176.6	0	108.5	Y94 T118 D122 F126	Y94-K120 PolarHBondContact OH-N 3.18Å; T118-K120 PolarHBondContact O-N 3.45Å; K120-D122 WeakPolarHBondContact CE-O 3.36Å; K120-D122 VanDerWaalsContact CG-O 3.25Å; K120-D122 WeakPolarHBondContact CG-O 3.33Å; K120-F126 HydrophobicContact CB-CD1 4.1Å; K120-F126 HydrophobicContact CB-CE1 3.96Å; K120-F126 HydrophobicContact CD-CE1 4.18Å; K120-F126 HydrophobicContact CG-CD1 4.22Å; K120-F126 HydrophobicContact CG-CE1 3.73Å; K120-F126 HydrophobicContact CG-CZ 4.43Å
121	L	77.9	Confident	82.4	Confident	36 Å²	36	55 Å²	55	19%	0.188	28%	0.278	C	S	.	.			trans	-96.3	-37.2	-173.2	-56.9	171.7	0	0	0	111.3	V71 D73 V79 I81 F119 A125 A127	V71-L121 HydrophobicContact CG1-CD1 4.33Å; V71-L121 HydrophobicContact CG1-CD2 4.09Å; D73-L121 HydrophobicContact CB-CD1 3.7Å; V79-L121 HydrophobicContact CB-CB 4.42Å; V79-L121 HydrophobicContact CB-CD1 3.92Å; V79-L121 HydrophobicContact CB-CD2 3.92Å; V79-L121 HydrophobicContact CB-CG 4.28Å; V79-L121 HydrophobicContact CG1-CB 4.05Å; V79-L121 HydrophobicContact CG1-CD1 4.37Å; V79-L121 HydrophobicContact CG1-CD2 3.59Å; V79-L121 HydrophobicContact CG1-CG 4.17Å; V79-L121 HydrophobicContact CG2-CB 4.15Å; V79-L121 HydrophobicContact CG2-CD1 3.75Å; V79-L121 HydrophobicContact CG2-CG 4.32Å; I81-L121 HydrophobicContact CD1-CD2 3.83Å; I81-L121 HydrophobicContact CG1-CD2 4.22Å; F119-L121 HydrophobicContact CB-CD2 4.04Å; F119-L121 PolarHBondContact O-N 3.34Å; L121-A125 HydrophobicContact CB-CB 4.15Å; L121-A125 PolarHBondContact N-O 3.44Å; L121-A127 HydrophobicContact CD1-CB 3.66Å
122	D	74.6	Confident	82.7	Confident	72 Å²	72	55.1 Å²	55.1	39%	0.385	28%	0.282	S	S	.	.	S	Bend	trans	-149.3	-162.6	168.4	67.4	32.4	0	0	0	110.7	K120 C124 A125	K120-D122 WeakPolarHBondContact CE-O 3.36Å; K120-D122 VanDerWaalsContact CG-O 3.25Å; K120-D122 WeakPolarHBondContact CG-O 3.33Å; D122-C124 PolarHBondContact O-N 3.41Å; D122-C124 PolarHBondContact OD1-N 3.3Å; D122-A125 PolarHBondContact N-O 2.96Å; D122-A125 WeakPolarHBondContact OD1-CA 3.24Å; D122-A125 WeakPolarHBondContact OD1-CB 3.33Å; D122-A125 PolarHBondContact OD1-N 3.36Å
123	E	76.9	Confident	82.7	Confident	173 Å²	173	55.4 Å²	55.4	81%	0.808	28%	0.284	S	S	*	.	S	Bend	trans	-62.2	-28.1	178.9	-69	-167.9	165.8	0	0	113.9
124	C	76.8	Confident	82.8	Confident	85 Å²	85	55.8 Å²	55.8	57%	0.574	29%	0.287	S	S	*	.	S	Bend	trans	-123	-17.4	-172.9	-66.6	0	0	0	0	113.9	F75 D122	F75-C124 WeakPolarHBondContact CE2-O 3.45Å; D122-C124 PolarHBondContact O-N 3.41Å; D122-C124 PolarHBondContact OD1-N 3.3Å
125	A	76.6	Confident	83.3	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.008	28%	0.282	C	S	.	.			trans	-99.2	129.4	-174	0	0	0	0	0	111.4	F75 L121 D122	F75-A125 HydrophobicContact CD2-CB 4.11Å; F75-A125 HydrophobicContact CE2-CB 4.22Å; L121-A125 HydrophobicContact CB-CB 4.15Å; L121-A125 PolarHBondContact N-O 3.44Å; D122-A125 PolarHBondContact N-O 2.96Å; D122-A125 WeakPolarHBondContact OD1-CA 3.24Å; D122-A125 WeakPolarHBondContact OD1-CB 3.33Å; D122-A125 PolarHBondContact OD1-N 3.36Å
126	F	86.2	Confident	83.6	Confident	82 Å²	82	52 Å²	52	36%	0.36	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.7	177.3	-56.8	-89	0	0	0	109	T118 F119 K120	T118-F126 HydrophobicContact CG2-CB 3.7Å; T118-F126 HydrophobicContact CG2-CD1 3.82Å; T118-F126 HydrophobicContact CG2-CG 4.1Å; F119-F126 VanDerWaalsContact O-CA 3.25Å; F119-F126 WeakPolarHBondContact O-CA 3.19Å; K120-F126 HydrophobicContact CB-CD1 4.1Å; K120-F126 HydrophobicContact CB-CE1 3.96Å; K120-F126 HydrophobicContact CD-CE1 4.18Å; K120-F126 HydrophobicContact CG-CD1 4.22Å; K120-F126 HydrophobicContact CG-CE1 3.73Å; K120-F126 HydrophobicContact CG-CZ 4.43Å
127	A	86.5	Confident	83.6	Confident	2 Å²	2	53 Å²	53	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	159.5	170.6	0	0	0	0	0	111.1	V71 D73 T118 F119 L121	V71-A127 HydrophobicContact CB-CB 4.49Å; V71-A127 HydrophobicContact CG1-CB 4.04Å; V71-A127 HydrophobicContact CG2-CB 3.61Å; D73-A127 HydrophobicContact CB-CB 4.25Å; T118-A127 CarbonylContact C-O 3.54Å; T118-A127 WeakPolarHBondContact CA-O 3.26Å; F119-A127 PolarHBondContact N-O 3.11Å; F119-A127 PolarHBondContact O-N 2.82Å; L121-A127 HydrophobicContact CD1-CB 3.66Å
128	R	88.8	Confident	83.7	Confident	116 Å²	116	53.9 Å²	53.9	44%	0.438	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.5	170.7	-67.9	-178.6	179.3	-161.7	-2.2	108.1	G53 T118 E130	G53-R128 WeakPolarHBondContact CA-O 3.1Å; T118-R128 PolarHBondContact OG1-NE 2.86Å; T118-R128 PolarHBondContact OG1-NH2 2.93Å; R128-E130 HydrophobicContact CB-CG 4.04Å; R128-E130 PolarHBondContact O-N 2.93Å
129	L	88.7	Confident	83.5	Confident	4 Å²	4	52 Å²	52	2%	0.021	26%	0.257	C	S	.	.			trans	-81.2	99.4	174.3	-55	180	0	0	0	108	F55 L69 V71 I109 H112 V113 F119	F55-L129 HydrophobicContact CB-CD2 3.64Å; F55-L129 HydrophobicContact CD1-CB 3.7Å; F55-L129 HydrophobicContact CD1-CD2 4.02Å; F55-L129 HydrophobicContact CD1-CG 4.4Å; F55-L129 HydrophobicContact CD2-CD2 4.24Å; F55-L129 HydrophobicContact CE1-CB 3.71Å; F55-L129 HydrophobicContact CG-CB 4.2Å; F55-L129 HydrophobicContact CG-CD2 3.71Å; F55-L129 HydrophobicContact CG-CG 4.43Å; F55-L129 HydrophobicContact CZ-CB 4.21Å; L69-L129 HydrophobicContact CD1-CD2 4.23Å; L69-L129 HydrophobicContact CD2-CD1 4.03Å; L69-L129 HydrophobicContact CD2-CD2 4.07Å; L69-L129 HydrophobicContact CG-CD2 4.49Å; V71-L129 HydrophobicContact CB-CD2 4.17Å; V71-L129 HydrophobicContact CG2-CD2 3.9Å; I109-L129 HydrophobicContact CD1-CD1 4.46Å; I109-L129 HydrophobicContact CG2-CD1 4.44Å; H112-L129 HydrophobicContact CB-CD1 3.99Å; V113-L129 HydrophobicContact CG2-CB 3.59Å; V113-L129 HydrophobicContact CG2-CD1 4.26Å; F119-L129 HydrophobicContact CD2-CG 4.22Å; F119-L129 HydrophobicContact CE2-CD1 3.71Å; F119-L129 HydrophobicContact CE2-CD2 4.22Å; F119-L129 HydrophobicContact CE2-CG 3.56Å; F119-L129 HydrophobicContact CZ-CD1 3.82Å; F119-L129 HydrophobicContact CZ-CG 4.17Å
130	E	84.8	Confident	83.4	Confident	95 Å²	95	53 Å²	53	44%	0.444	26%	0.264	S	S	.	.			trans	-109.6	-42.3	-175.1	-62.9	-170.4	177.7	0	0	112.3	G53 R128	G53-E130 PolarHBondContact O-N 2.61Å; R128-E130 HydrophobicContact CB-CG 4.04Å; R128-E130 PolarHBondContact O-N 2.93Å
131	H	84.5	Confident	83.4	Confident	55 Å²	55	47.5 Å²	47.5	26%	0.255	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	103.8	-171.6	-53	102.1	0	0	0	111	G53 D54 F55 V133	G53-H131 PolarHBondContact O-N 2.91Å; D54-H131 CarbonylContact C-O 3.53Å; D54-H131 VanDerWaalsContact CA-O 3.29Å; D54-H131 WeakPolarHBondContact CA-O 3.49Å; D54-H131 WeakPolarHBondContact OD1-CB 3.12Å; D54-H131 IonicContact OD1-CG 3.22Å; D54-H131 IonicContact OD1-ND1 3.25Å; F55-H131 WeakPolarHBondContact CD1-O 3.33Å; F55-H131 PolarHBondContact N-O 2.9Å; H131-V133 PolarHBondContact O-N 3.16Å
132	A	89	Confident	83.5	Confident	25 Å²	25	46.2 Å²	46.2	21%	0.207	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	120.3	173.1	0	0	0	0	0	110.1	Y35 F55	Y35-A132 HydrophobicContact CD1-CB 3.64Å; Y35-A132 HydrophobicContact CE1-CB 4.28Å; Y35-A132 HydrophobicContact CG-CB 3.85Å; F55-A132 HydrophobicContact CE1-CB 3.99Å; F55-A132 VanDerWaalsContact CE1-N 3.32Å; F55-A132 HydrophobicContact CE2-CB 3.91Å; F55-A132 HydrophobicContact CZ-CB 3.55Å; F55-A132 WeakPolarHBondContact O-CA 3.48Å
133	V	87.6	Confident	83.8	Confident	9 Å²	9	44.2 Å²	44.2	6%	0.055	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-86.5	117	177.7	179.4	0	0	0	0	108.7	Y35 H37 R48 L49 D54 F55 L56 H131 T275	Y35-V133 VanDerWaalsContact CA-O 3.28Å; Y35-V133 WeakPolarHBondContact CA-O 3.42Å; Y35-V133 WeakPolarHBondContact CB-O 3.39Å; H37-V133 PolarHBondContact NE2-O 3.38Å; H37-V133 VanDerWaalsContact NE2-O 3.07Å; R48-V133 HydrophobicContact CB-CG1 4.45Å; L49-V133 HydrophobicContact CD2-CB 4.3Å; L49-V133 HydrophobicContact CD2-CG2 3.78Å; D54-V133 HydrophobicContact CB-CG2 3.76Å; F55-V133 PolarHBondContact O-N 2.84Å; L56-V133 HydrophobicContact CB-CB 4.5Å; H131-V133 PolarHBondContact O-N 3.16Å; V133-T275 HydrophobicContact CG1-CG2 3.7Å
134	S	86.6	Confident	84.3	Confident	20 Å²	20	36.4 Å²	36.4	14%	0.14	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-73.5	146.3	-179.3	-54	0	0	0	0	112.4	P34	P34-S134 CarbonylContact O-C 3.57Å; P34-S134 WeakPolarHBondContact O-CA 3.39Å
135	S	87	Confident	84.6	Confident	8 Å²	8	33 Å²	33	6%	0.056	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-68	143	177.9	67.7	0	0	0	0	111.9	P34 Y36 H37 E137 F138 L139	P34-S135 PolarHBondContact O-N 2.87Å; Y36-S135 WeakPolarHBondContact O-CB 3.29Å; Y36-S135 PolarHBondContact O-OG 3.17Å; H37-S135 VanDerWaalsContact CE1-CA 3.43Å; H37-S135 WeakPolarHBondContact CE1-CA 3.48Å; S135-E137 PolarHBondContact O-N 3.33Å; S135-F138 PolarHBondContact O-N 2.86Å; S135-F138 VanDerWaalsContact O-N 3.12Å; S135-F138 VanDerWaalsContact OG-CB 3.28Å; S135-F138 WeakPolarHBondContact OG-CB 3.41Å; S135-F138 PolarHBondContact OG-N 2.66Å; S135-L139 WeakPolarHBondContact O-CG 3.15Å; S135-L139 PolarHBondContact O-N 3.42Å
136	P	84.7	Confident	84.6	Confident	24 Å²	24	33.4 Å²	33.4	16%	0.156	17%	0.167	C	C	.	.	H	α-helix	trans	-55.5	-34.7	173.8	-29.6	39.4	0	0	0	112.7	L139 S140 L278	P136-L139 PolarHBondContact O-N 2.79Å; P136-S140 WeakPolarHBondContact O-CB 3.3Å; P136-S140 PolarHBondContact O-N 3.23Å; P136-S140 PolarHBondContact O-OG 3.05Å; P136-L278 HydrophobicContact CB-CD1 3.97Å; P136-L278 HydrophobicContact CG-CD1 3.95Å
137	E	82.6	Confident	84.3	Confident	81 Å²	81	31.8 Å²	31.8	38%	0.379	16%	0.159	S	C	.	.	H	α-helix	trans	-61.9	-47	175.7	-64.2	74.4	-164.8	0	0	111.3	S135 S140 S141	S135-E137 PolarHBondContact O-N 3.33Å; E137-S140 PolarHBondContact O-OG 3.47Å; E137-S141 PolarHBondContact O-N 3.07Å; E137-S141 PolarHBondContact O-OG 3.36Å
138	F	84	Confident	83.8	Confident	53 Å²	53	35.7 Å²	35.7	23%	0.232	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-49.7	174.4	176	-96.3	0	0	0	111.5	P34 S135 S140 S141 I142	P34-F138 HydrophobicContact CB-CD1 3.85Å; P34-F138 HydrophobicContact CB-CD2 4.17Å; P34-F138 HydrophobicContact CB-CE1 3.73Å; P34-F138 HydrophobicContact CB-CE2 4.06Å; P34-F138 HydrophobicContact CB-CG 4.06Å; P34-F138 HydrophobicContact CB-CZ 3.85Å; P34-F138 HydrophobicContact CG-CD2 4.46Å; P34-F138 HydrophobicContact CG-CE1 4.28Å; P34-F138 HydrophobicContact CG-CE2 3.99Å; P34-F138 HydrophobicContact CG-CZ 3.89Å; S135-F138 PolarHBondContact O-N 2.86Å; S135-F138 VanDerWaalsContact O-N 3.12Å; S135-F138 VanDerWaalsContact OG-CB 3.28Å; S135-F138 WeakPolarHBondContact OG-CB 3.41Å; S135-F138 PolarHBondContact OG-N 2.66Å; F138-S140 VanDerWaalsContact C-N 3.33Å; F138-S140 PolarHBondContact O-N 3.14Å; F138-S141 VanDerWaalsContact O-CB 3.29Å; F138-S141 WeakPolarHBondContact O-CB 3.07Å; F138-S141 PolarHBondContact O-N 2.79Å; F138-I142 HydrophobicContact CD1-CD1 4.07Å; F138-I142 HydrophobicContact CE1-CD1 3.46Å; F138-I142 VanDerWaalsContact CE1-CD1 3.46Å; F138-I142 HydrophobicContact CZ-CD1 3.89Å
139	L	82	Confident	83.6	Confident	20 Å²	20	32.8 Å²	32.8	11%	0.105	18%	0.176	C	C	.	.	H	α-helix	trans	-59.8	-42.7	-179.6	-70.5	177.2	0	0	0	112	S135 P136 S141 I142 R143 T275	S135-L139 WeakPolarHBondContact O-CG 3.15Å; S135-L139 PolarHBondContact O-N 3.42Å; P136-L139 PolarHBondContact O-N 2.79Å; L139-S141 PolarHBondContact O-N 2.78Å; L139-I142 WeakPolarHBondContact O-CG1 3.39Å; L139-I142 PolarHBondContact O-N 3.37Å; L139-I142 VanDerWaalsContact O-N 3.14Å; L139-R143 VanDerWaalsContact O-CB 3.3Å; L139-R143 WeakPolarHBondContact O-CB 3.26Å; L139-R143 WeakPolarHBondContact O-CG 3.49Å; L139-R143 PolarHBondContact O-N 2.82Å; L139-T275 HydrophobicContact CD1-CG2 4.31Å
140	S	83.5	Confident	83.5	Confident	23 Å²	23	32.9 Å²	32.9	16%	0.161	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-23	178.4	74.3	0	0	0	0	113.1	P136 E137 F138 K232	P136-S140 WeakPolarHBondContact O-CB 3.3Å; P136-S140 PolarHBondContact O-N 3.23Å; P136-S140 PolarHBondContact O-OG 3.05Å; E137-S140 PolarHBondContact O-OG 3.47Å; F138-S140 VanDerWaalsContact C-N 3.33Å; F138-S140 PolarHBondContact O-N 3.14Å; S140-K232 PolarHBondContact O-NZ 3.42Å
141	S	82.9	Confident	83.7	Confident	13 Å²	13	30.4 Å²	30.4	9%	0.091	17%	0.168	C	C	.	.	H	α-helix	trans	-72.9	-31.6	176.8	-58.4	0	0	0	0	112	E137 F138 L139 K232 V235 K247	E137-S141 PolarHBondContact O-N 3.07Å; E137-S141 PolarHBondContact O-OG 3.36Å; F138-S141 VanDerWaalsContact O-CB 3.29Å; F138-S141 WeakPolarHBondContact O-CB 3.07Å; F138-S141 PolarHBondContact O-N 2.79Å; L139-S141 PolarHBondContact O-N 2.78Å; S141-K232 VanDerWaalsContact O-CD 3.26Å; S141-K232 WeakPolarHBondContact O-CD 3.19Å; S141-K232 PolarHBondContact O-NZ 2.83Å; S141-V235 WeakPolarHBondContact O-CG1 3.32Å; S141-K247 WeakPolarHBondContact CB-O 3.44Å
142	I	79.3	Confident	83.9	Confident	10 Å²	10	33.2 Å²	33.2	5%	0.051	18%	0.181	C	C	.	.	H	α-helix	trans	-112.9	-19.9	-171.8	63.1	-179.7	0	0	0	115.1	V5 F138 L139 V235 L236	V5-I142 HydrophobicContact CB-CD1 3.97Å; F138-I142 HydrophobicContact CD1-CD1 4.07Å; F138-I142 HydrophobicContact CE1-CD1 3.46Å; F138-I142 VanDerWaalsContact CE1-CD1 3.46Å; F138-I142 HydrophobicContact CZ-CD1 3.89Å; L139-I142 WeakPolarHBondContact O-CG1 3.39Å; L139-I142 PolarHBondContact O-N 3.37Å; L139-I142 VanDerWaalsContact O-N 3.14Å; I142-V235 HydrophobicContact CG2-CG1 4.34Å; I142-L236 HydrophobicContact CB-CD1 4.04Å; I142-L236 HydrophobicContact CG2-CD1 3.98Å
143	R	82	Confident	83.9	Confident	29 Å²	29	32.2 Å²	32.2	11%	0.109	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-84.7	141.9	176.5	-71.7	-177.8	171.6	-171.4	-7.7	111.1	L139 K232 N279 N298 Y299	L139-R143 VanDerWaalsContact O-CB 3.3Å; L139-R143 WeakPolarHBondContact O-CB 3.26Å; L139-R143 WeakPolarHBondContact O-CG 3.49Å; L139-R143 PolarHBondContact O-N 2.82Å; R143-K232 WeakPolarHBondContact O-CD 3.07Å; R143-K232 WeakPolarHBondContact O-CE 3.45Å; R143-K232 PolarHBondContact O-NZ 2.86Å; R143-N279 PolarHBondContact NH1-OD1 3.14Å; R143-N279 PolarHBondContact NH2-OD1 2.95Å; R143-N298 PolarHBondContact NH2-ND2 3.39Å; R143-Y299 CarbonylContact C-O 3.52Å; R143-Y299 WeakPolarHBondContact CA-O 3.25Å
144	C	86.1	Confident	84.1	Confident	10 Å²	10	37.2 Å²	37.2	7%	0.068	19%	0.19	C	C	.	.			trans	-81.5	149.6	172.8	-53.3	0	0	0	0	110.5	D228 D229 Y299 A301	C144-D228 WeakPolarHBondContact CA-OD2 3.43Å; C144-D228 WeakPolarHBondContact CB-OD2 3.38Å; C144-D229 PolarHBondContact SG-OD1 2.94Å; C144-Y299 PolarHBondContact N-O 3.08Å; C144-A301 PolarHBondContact SG-N 2.73Å; C144-A301 VanDerWaalsContact SG-N 3.4Å
145	E	83.5	Confident	84.4	Confident	14 Å²	14	36.2 Å²	36.2	7%	0.065	18%	0.184	C	C	.	.			trans	-88	-7.8	175.6	-53.7	-158.4	156.7	0	0	112.6	K147 L153 R154 D228	E145-K147 HydrophobicContact CB-CG 4.12Å; E145-K147 PolarHBondContact O-N 2.96Å; E145-L153 HydrophobicContact CB-CD2 3.94Å; E145-L153 HydrophobicContact CG-CD2 4.27Å; E145-L153 WeakPolarHBondContact OE2-CA 3.48Å; E145-R154 WeakPolarHBondContact OE1-CB 3.39Å; E145-R154 IonicContact OE1-CZ 3.84Å; E145-R154 IonicContact OE1-NE 3.49Å; E145-R154 PolarHBondContact OE1-NE 2.78Å; E145-R154 IonicContact OE1-NH2 2.79Å; E145-R154 PolarHBondContact OE1-NH2 3.46Å; E145-R154 PolarHBondContact OE2-N 2.65Å; E145-R154 IonicContact OE2-NE 2.77Å; E145-D228 PolarHBondContact N-OD2 3.29Å
146	G	76.7	Confident	84.7	Confident	9 Å²	9	36.2 Å²	36.2	9%	0.093	18%	0.183	C	C	.	.			trans	67.5	19.2	178.1	0	0	0	0	0	114
147	K	80	Confident	85	Confident	47 Å²	47	35.2 Å²	35.2	20%	0.204	18%	0.176	C	C	.	.			trans	-88.6	129.7	177.6	-57.3	-57.1	-171.6	172.6	0	110.6	E145 E152 L153	E145-K147 HydrophobicContact CB-CG 4.12Å; E145-K147 PolarHBondContact O-N 2.96Å; K147-E152 HydrophobicContact CB-CB 4.19Å; K147-E152 HydrophobicContact CD-CB 4.2Å; K147-E152 HydrophobicContact CG-CB 4.13Å; K147-L153 HydrophobicContact CB-CD2 3.75Å; K147-L153 HydrophobicContact CB-CG 4.31Å; K147-L153 HydrophobicContact CG-CD2 4.12Å
148	V	75.9	Confident	85.2	Confident	85 Å²	85	38.6 Å²	38.6	52%	0.515	19%	0.192	S	C	.	.	S	Bend	trans	-78.2	-42.4	177.5	-178.9	0	0	0	0	110.7	P150	V148-P150 WeakPolarHBondContact O-CD 3.31Å
149	D	83.5	Confident	85.3	Confident	55 Å²	55	37.9 Å²	37.9	29%	0.294	19%	0.19	S	C	.	.	S	Bend	trans	-85.4	121.4	178	-165.4	-26.8	0	0	0	110.2	V151 E152 L205	D149-V151 HydrophobicContact CB-CG2 4.49Å; D149-V151 PolarHBondContact O-N 3.26Å; D149-V151 VanDerWaalsContact O-N 3.09Å; D149-V151 WeakPolarHBondContact OD1-CG2 3.28Å; D149-V151 PolarHBondContact OD1-N 2.81Å; D149-V151 VanDerWaalsContact OD1-N 3.09Å; D149-E152 HydrophobicContact CB-CG 4.24Å; D149-E152 PolarHBondContact O-N 2.65Å; D149-L205 WeakPolarHBondContact OD1-CD2 3.43Å
150	P	87.8	Confident	85.2	Confident	6 Å²	6	39 Å²	39	4%	0.039	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-55.6	-25.6	177.7	-28.2	36.6	0	0	0	115	V148 E152 L153 F156 L176 I186 L227	V148-P150 WeakPolarHBondContact O-CD 3.31Å; P150-E152 PolarHBondContact O-N 2.79Å; P150-L153 HydrophobicContact CB-CD1 4.33Å; P150-L153 WeakPolarHBondContact O-CB 3.33Å; P150-L153 PolarHBondContact O-N 3.24Å; P150-F156 WeakPolarHBondContact O-CB 3.5Å; P150-L176 HydrophobicContact CB-CD1 4.5Å; P150-I186 HydrophobicContact CB-CD1 4.28Å; P150-I186 HydrophobicContact CB-CG1 4.02Å; P150-I186 HydrophobicContact CB-CG2 4.43Å; P150-I186 HydrophobicContact CG-CG1 4.23Å; P150-L227 HydrophobicContact CB-CD2 4.06Å; P150-L227 HydrophobicContact CG-CB 4.09Å; P150-L227 HydrophobicContact CG-CD2 4.02Å
151	V	88.6	Confident	84.8	Confident	43 Å²	43	40 Å²	40	26%	0.261	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-74.8	-15.1	-179.6	-50.8	0	0	0	0	113.3	D149 F156 I186 L205	D149-V151 HydrophobicContact CB-CG2 4.49Å; D149-V151 PolarHBondContact O-N 3.26Å; D149-V151 VanDerWaalsContact O-N 3.09Å; D149-V151 WeakPolarHBondContact OD1-CG2 3.28Å; D149-V151 PolarHBondContact OD1-N 2.81Å; D149-V151 VanDerWaalsContact OD1-N 3.09Å; V151-F156 HydrophobicContact CB-CD1 4.24Å; V151-F156 HydrophobicContact CB-CE1 4.14Å; V151-F156 HydrophobicContact CB-CE2 4.43Å; V151-F156 HydrophobicContact CB-CG 4.43Å; V151-F156 HydrophobicContact CB-CZ 4.25Å; V151-F156 HydrophobicContact CG1-CD2 4.37Å; V151-F156 HydrophobicContact CG1-CE1 4.22Å; V151-F156 HydrophobicContact CG1-CE2 3.91Å; V151-F156 HydrophobicContact CG1-CZ 3.83Å; V151-I186 HydrophobicContact CG1-CD1 4.34Å; V151-L205 HydrophobicContact CG1-CD2 4.15Å
152	E	88.1	Confident	84.7	Confident	113 Å²	113	46.4 Å²	46.4	53%	0.528	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-87.9	-6.2	176.4	-64.8	-174.7	-178.5	0	0	112.9	K147 D149 P150	K147-E152 HydrophobicContact CB-CB 4.19Å; K147-E152 HydrophobicContact CD-CB 4.2Å; K147-E152 HydrophobicContact CG-CB 4.13Å; D149-E152 HydrophobicContact CB-CG 4.24Å; D149-E152 PolarHBondContact O-N 2.65Å; P150-E152 PolarHBondContact O-N 2.79Å
153	L	89.9	Confident	85.1	Confident	5 Å²	5	49 Å²	49	3%	0.026	25%	0.254	C	S	.	.	S	Bend	trans	-71.8	138	178.4	-64.4	168.5	0	0	0	110.3	E145 K147 P150 Y155 F156 L176 D228	E145-L153 HydrophobicContact CB-CD2 3.94Å; E145-L153 HydrophobicContact CG-CD2 4.27Å; E145-L153 WeakPolarHBondContact OE2-CA 3.48Å; K147-L153 HydrophobicContact CB-CD2 3.75Å; K147-L153 HydrophobicContact CB-CG 4.31Å; K147-L153 HydrophobicContact CG-CD2 4.12Å; P150-L153 HydrophobicContact CB-CD1 4.33Å; P150-L153 WeakPolarHBondContact O-CB 3.33Å; P150-L153 PolarHBondContact O-N 3.24Å; L153-Y155 HydrophobicContact CB-CD1 4.07Å; L153-Y155 HydrophobicContact CB-CE1 3.89Å; L153-Y155 HydrophobicContact CD1-CE1 4.13Å; L153-Y155 HydrophobicContact CD1-CE2 4.37Å; L153-Y155 HydrophobicContact CD2-CE1 4.09Å; L153-Y155 HydrophobicContact CG-CE1 4.27Å; L153-Y155 PolarHBondContact O-N 2.79Å; L153-Y155 VanDerWaalsContact O-N 3.07Å; L153-F156 HydrophobicContact CB-CB 4.45Å; L153-F156 VanDerWaalsContact O-CB 3.23Å; L153-F156 WeakPolarHBondContact O-CB 3.32Å; L153-F156 PolarHBondContact O-N 3.29Å; L153-L176 HydrophobicContact CD1-CD1 3.67Å; L153-D228 HydrophobicContact CD1-CB 4.08Å; L153-D228 HydrophobicContact CD2-CB 3.79Å
154	R	91.5	Very high	85.3	Confident	113 Å²	113	47.6 Å²	47.6	43%	0.426	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.1	-178	-66.9	-176.2	-64.4	168.5	-0.8	114.8	E145 F251 H252	E145-R154 WeakPolarHBondContact OE1-CB 3.39Å; E145-R154 IonicContact OE1-CZ 3.84Å; E145-R154 IonicContact OE1-NE 3.49Å; E145-R154 PolarHBondContact OE1-NE 2.78Å; E145-R154 IonicContact OE1-NH2 2.79Å; E145-R154 PolarHBondContact OE1-NH2 3.46Å; E145-R154 PolarHBondContact OE2-N 2.65Å; E145-R154 IonicContact OE2-NE 2.77Å; R154-F251 HydrophobicContact CB-CB 4.43Å; R154-F251 HydrophobicContact CB-CD1 3.73Å; R154-F251 HydrophobicContact CB-CE1 4.34Å; R154-F251 HydrophobicContact CB-CG 4.25Å; R154-F251 WeakPolarHBondContact O-CA 3.3Å; R154-H252 PolarHBondContact O-N 2.98Å
155	Y	93	Very high	85.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	13.8	175.5	63.1	-83.8	0	0	0	112.8	L153 H157 F174 I175 L176 D228 L231 P249 I250 F251	L153-Y155 HydrophobicContact CB-CD1 4.07Å; L153-Y155 HydrophobicContact CB-CE1 3.89Å; L153-Y155 HydrophobicContact CD1-CE1 4.13Å; L153-Y155 HydrophobicContact CD1-CE2 4.37Å; L153-Y155 HydrophobicContact CD2-CE1 4.09Å; L153-Y155 HydrophobicContact CG-CE1 4.27Å; L153-Y155 PolarHBondContact O-N 2.79Å; L153-Y155 VanDerWaalsContact O-N 3.07Å; Y155-H157 PolarHBondContact O-CD2 3.23Å; Y155-F174 HydrophobicContact CD2-CD2 4.24Å; Y155-F174 AromaticContact CD2-CE2 3.97Å; Y155-F174 HydrophobicContact CD2-CE2 3.97Å; Y155-F174 HydrophobicContact CE2-CD2 4.26Å; Y155-F174 AromaticContact CE2-CE2 3.71Å; Y155-F174 HydrophobicContact CE2-CE2 3.71Å; Y155-I175 WeakPolarHBondContact O-CA 3.42Å; Y155-L176 HydrophobicContact CD2-CD1 4.09Å; Y155-L176 HydrophobicContact CD2-CG 3.92Å; Y155-L176 HydrophobicContact CE2-CD1 3.46Å; Y155-L176 VanDerWaalsContact CE2-CD1 3.46Å; Y155-L176 HydrophobicContact CE2-CG 3.63Å; Y155-L176 PolarHBondContact O-N 3.06Å; Y155-D228 WeakPolarHBondContact CE1-OD1 3.47Å; Y155-D228 PolarHBondContact OH-OD1 3.23Å; Y155-L231 HydrophobicContact CE2-CD1 4.12Å; Y155-P249 HydrophobicContact CD1-CB 3.96Å; Y155-P249 HydrophobicContact CD2-CB 4.13Å; Y155-P249 HydrophobicContact CG-CB 3.69Å; Y155-I250 WeakPolarHBondContact CA-O 3.26Å; Y155-I250 VanDerWaalsContact CB-O 3.29Å; Y155-I250 WeakPolarHBondContact CB-O 3.11Å; Y155-F251 HydrophobicContact CD1-CD1 4.32Å; Y155-F251 AromaticContact CD1-CE1 3.85Å; Y155-F251 HydrophobicContact CD1-CE1 3.85Å; Y155-F251 HydrophobicContact CG-CE1 4.37Å
156	F	92.5	Very high	85.3	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.035	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-81.8	129.6	161.5	-178.5	-89.8	0	0	0	108.8	P150 V151 L153 E158 L176 R178 I186 H252	P150-F156 WeakPolarHBondContact O-CB 3.5Å; V151-F156 HydrophobicContact CB-CD1 4.24Å; V151-F156 HydrophobicContact CB-CE1 4.14Å; V151-F156 HydrophobicContact CB-CE2 4.43Å; V151-F156 HydrophobicContact CB-CG 4.43Å; V151-F156 HydrophobicContact CB-CZ 4.25Å; V151-F156 HydrophobicContact CG1-CD2 4.37Å; V151-F156 HydrophobicContact CG1-CE1 4.22Å; V151-F156 HydrophobicContact CG1-CE2 3.91Å; V151-F156 HydrophobicContact CG1-CZ 3.83Å; L153-F156 HydrophobicContact CB-CB 4.45Å; L153-F156 VanDerWaalsContact O-CB 3.23Å; L153-F156 WeakPolarHBondContact O-CB 3.32Å; L153-F156 PolarHBondContact O-N 3.29Å; F156-E158 HydrophobicContact CE1-CG 3.75Å; F156-L176 CarbonylContact C-O 3.53Å; F156-L176 WeakPolarHBondContact CA-O 3.17Å; F156-L176 HydrophobicContact CB-CB 4.41Å; F156-L176 HydrophobicContact CD2-CB 3.87Å; F156-R178 HydrophobicContact CZ-CG 3.95Å; F156-I186 HydrophobicContact CE2-CD1 3.91Å; F156-H252 PolarHBondContact O-CD2 2.91Å; F156-H252 PolarHBondContact O-NE2 3.26Å
157	H	92.1	Very high	85.8	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.009	30%	0.303	C	S	.	.			trans	-126.5	134.9	-177.5	-71.3	-110	0	0	0	111.2	Y155 I159 I175 L176 K177 I250 H252	Y155-H157 PolarHBondContact O-CD2 3.23Å; H157-I159 VanDerWaalsContact C-N 3.32Å; H157-I159 HydrophobicContact CB-CD1 4.09Å; H157-I159 HydrophobicContact CB-CG1 3.92Å; H157-I159 HydrophobicContact CB-CG2 4.17Å; H157-I159 PolarHBondContact O-N 3.22Å; H157-I175 HydrophobicContact CB-CD1 4.33Å; H157-I175 VanDerWaalsContact CD2-CG2 3.42Å; H157-I175 WeakPolarHBondContact CD2-CG2 3.18Å; H157-L176 PolarHBondContact N-O 2.96Å; H157-K177 VanDerWaalsContact O-CB 3.24Å; H157-K177 WeakPolarHBondContact O-CB 3.28Å; H157-I250 PolarHBondContact NE2-O 3.49Å; H157-H252 AromaticContact CE1-CE1 3.96Å; H157-H252 AromaticContact CE1-ND1 3.49Å; H157-H252 PolarHBondContact CE1-ND1 3.04Å; H157-H252 AromaticContact CG-CE1 3.65Å; H157-H252 AromaticContact CG-ND1 3.95Å; H157-H252 AromaticContact ND1-CE1 3.37Å; H157-H252 PolarHBondContact ND1-CE1 3.48Å; H157-H252 AromaticContact ND1-ND1 3.26Å; H157-H252 PolarHBondContact ND1-ND1 3.32Å
158	E	86.9	Confident	86.4	Confident	152 Å²	152	57.5 Å²	57.5	71%	0.71	29%	0.293	S	S	*	.			trans	-92.6	60.9	171.2	-62.8	-164.8	153.4	0	0	110.9	F156	F156-E158 HydrophobicContact CE1-CG 3.75Å
159	I	85.1	Confident	86.8	Confident	38 Å²	38	57.6 Å²	57.6	20%	0.195	30%	0.296	C	S	.	.			trans	-117.6	158.1	-177.6	65.7	177.2	0	0	0	112.3	H157 D163 A164 I167 I175	H157-I159 VanDerWaalsContact C-N 3.32Å; H157-I159 HydrophobicContact CB-CD1 4.09Å; H157-I159 HydrophobicContact CB-CG1 3.92Å; H157-I159 HydrophobicContact CB-CG2 4.17Å; H157-I159 PolarHBondContact O-N 3.22Å; I159-D163 HydrophobicContact CB-CB 4.28Å; I159-A164 HydrophobicContact CD1-CB 3.94Å; I159-I167 HydrophobicContact CD1-CD1 3.58Å; I159-I175 HydrophobicContact CD1-CD1 3.54Å; I159-I175 HydrophobicContact CG1-CD1 4.3Å
160	A	80.4	Confident	86.8	Confident	45 Å²	45	59.2 Å²	59.2	37%	0.372	31%	0.305	S	S	.	.			trans	-72.9	154.7	169.9	0	0	0	0	0	110.3	Q162 D163 A164	A160-Q162 HydrophobicContact CB-CG 4.16Å; A160-Q162 PolarHBondContact O-N 3.37Å; A160-Q162 VanDerWaalsContact O-N 3.15Å; A160-D163 WeakPolarHBondContact CB-OD2 3.27Å; A160-D163 PolarHBondContact N-OD2 3.36Å; A160-D163 PolarHBondContact O-N 2.77Å; A160-A164 PolarHBondContact O-N 3.48Å
161	A	76.1	Confident	86.7	Confident	42 Å²	42	60.6 Å²	60.6	35%	0.347	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.2	-177.1	0	0	0	0	0	113.7	A164 M189	A161-A164 WeakPolarHBondContact O-CB 3.33Å; A161-M189 HydrophobicContact CB-CE 3.8Å
162	Q	80	Confident	86.7	Confident	149 Å²	149	58.5 Å²	58.5	70%	0.696	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-35.2	176.9	69.1	-173.6	12.9	0	0	112.3	A160 A164 E165	A160-Q162 HydrophobicContact CB-CG 4.16Å; A160-Q162 PolarHBondContact O-N 3.37Å; A160-Q162 VanDerWaalsContact O-N 3.15Å; Q162-A164 PolarHBondContact O-N 2.86Å; Q162-E165 PolarHBondContact O-N 3.33Å
163	D	87	Confident	86.8	Confident	64 Å²	64	53.5 Å²	53.5	34%	0.342	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-22.9	-177.9	-48.1	-35.6	0	0	0	110.3	I159 A160 E165 E166	I159-D163 HydrophobicContact CB-CB 4.28Å; A160-D163 WeakPolarHBondContact CB-OD2 3.27Å; A160-D163 PolarHBondContact N-OD2 3.36Å; A160-D163 PolarHBondContact O-N 2.77Å; D163-E165 PolarHBondContact O-N 2.86Å; D163-E166 PolarHBondContact O-N 3.42Å
164	A	85.7	Confident	87.1	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-27.1	174.9	0	0	0	0	0	112.9	I159 A160 A161 Q162 E166 I167 L168 I175 M189 V196	I159-A164 HydrophobicContact CD1-CB 3.94Å; A160-A164 PolarHBondContact O-N 3.48Å; A161-A164 WeakPolarHBondContact O-CB 3.33Å; Q162-A164 PolarHBondContact O-N 2.86Å; A164-E166 VanDerWaalsContact C-N 3.28Å; A164-E166 PolarHBondContact O-N 2.85Å; A164-I167 PolarHBondContact O-N 2.72Å; A164-L168 HydrophobicContact CB-CD1 4.27Å; A164-L168 WeakPolarHBondContact O-CB 3.06Å; A164-L168 VanDerWaalsContact O-CG 3.25Å; A164-L168 WeakPolarHBondContact O-CG 3.19Å; A164-L168 PolarHBondContact O-N 2.91Å; A164-I175 HydrophobicContact CB-CD1 3.94Å; A164-M189 HydrophobicContact CB-CE 3.51Å; A164-M189 HydrophobicContact CB-SD 3.77Å; A164-V196 HydrophobicContact CB-CG1 4.49Å
165	E	84.9	Confident	87.2	Confident	113 Å²	113	47.9 Å²	47.9	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-66.5	-30.6	177.5	-64.9	-166.2	168.2	0	0	112.7	Q162 D163 V196	Q162-E165 PolarHBondContact O-N 3.33Å; D163-E165 PolarHBondContact O-N 2.86Å; E165-V196 HydrophobicContact CB-CG2 4.31Å; E165-V196 HydrophobicContact CG-CB 4.21Å; E165-V196 HydrophobicContact CG-CG2 3.74Å
166	E	85.3	Confident	87.2	Confident	146 Å²	146	47.9 Å²	47.9	68%	0.682	26%	0.258	S	S	*	.	H	α-helix	trans	-75.7	-31.6	178.5	-169.1	172.3	-173.1	0	0	111.7	D163 A164	D163-E166 PolarHBondContact O-N 3.42Å; A164-E166 VanDerWaalsContact C-N 3.28Å; A164-E166 PolarHBondContact O-N 2.85Å
167	I	88.6	Confident	87.2	Confident	29 Å²	29	47.8 Å²	47.8	15%	0.149	26%	0.257	C	S	.	.	H	α-helix	trans	-87.3	-40.4	-175.4	-56.8	175.4	0	0	0	111.4	I159 A164 C169 I250 T255	I159-I167 HydrophobicContact CD1-CD1 3.58Å; A164-I167 PolarHBondContact O-N 2.72Å; I167-C169 PolarHBondContact O-N 2.87Å; I167-C169 VanDerWaalsContact O-N 3.11Å; I167-I250 HydrophobicContact CG2-CB 4.16Å; I167-I250 HydrophobicContact CG2-CG2 3.43Å; I167-I250 VanDerWaalsContact CG2-CG2 3.43Å; I167-T255 HydrophobicContact CB-CG2 4.37Å; I167-T255 HydrophobicContact CD1-CG2 3.69Å; I167-T255 HydrophobicContact CG1-CG2 3.7Å; I167-T255 HydrophobicContact CG2-CG2 3.85Å
168	L	90.6	Very high	87.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.276	C	S	.	.			trans	-85.9	83.7	-176.8	-56.7	174.3	0	0	0	110.6	A164 D173 I175 M189 R191 V196 I250	A164-L168 HydrophobicContact CB-CD1 4.27Å; A164-L168 WeakPolarHBondContact O-CB 3.06Å; A164-L168 VanDerWaalsContact O-CG 3.25Å; A164-L168 WeakPolarHBondContact O-CG 3.19Å; A164-L168 PolarHBondContact O-N 2.91Å; L168-D173 HydrophobicContact CB-CB 4.43Å; L168-D173 HydrophobicContact CD2-CB 4.12Å; L168-I175 HydrophobicContact CD1-CD1 4.48Å; L168-I175 HydrophobicContact CD1-CG1 4.28Å; L168-I175 HydrophobicContact CD2-CB 4.46Å; L168-I175 HydrophobicContact CD2-CG1 4.18Å; L168-I175 HydrophobicContact CD2-CG2 3.86Å; L168-M189 HydrophobicContact CD1-CB 4.2Å; L168-R191 HydrophobicContact CB-CB 3.61Å; L168-R191 WeakPolarHBondContact O-CB 3.48Å; L168-R191 WeakPolarHBondContact O-CD 3.23Å; L168-R191 VanDerWaalsContact O-CG 3.23Å; L168-R191 WeakPolarHBondContact O-CG 3.27Å; L168-V196 HydrophobicContact CB-CG2 4.4Å; L168-V196 HydrophobicContact CD1-CG1 3.77Å; L168-V196 HydrophobicContact CD1-CG2 4.04Å; L168-I250 HydrophobicContact CD2-CG1 3.86Å
169	C	84.7	Confident	87.2	Confident	86 Å²	86	46 Å²	46	58%	0.581	25%	0.245	S	C	*	.			trans	-77.6	-41.6	-171.7	-65	0	0	0	0	113.7	I167	I167-C169 PolarHBondContact O-N 2.87Å; I167-C169 VanDerWaalsContact O-N 3.11Å
170	N	83.9	Confident	87.2	Confident	90 Å²	90	50 Å²	50	48%	0.481	27%	0.267	S	S	.	.	S	Bend	trans	-110.3	151.6	-171.4	-51.3	-78.8	0	0	0	112.3	G172 D173 R191	N170-G172 PolarHBondContact O-N 3.48Å; N170-D173 WeakPolarHBondContact CA-OD2 3.5Å; N170-D173 VanDerWaalsContact CB-OD2 3.28Å; N170-D173 WeakPolarHBondContact CB-OD2 3.28Å; N170-D173 PolarHBondContact N-OD2 3.48Å; N170-D173 PolarHBondContact ND2-OD2 3.14Å; N170-D173 WeakPolarHBondContact O-CB 3.3Å; N170-D173 VanDerWaalsContact O-CG 3.3Å; N170-D173 PolarHBondContact O-N 2.92Å; N170-R191 VanDerWaalsContact O-CB 3.31Å; N170-R191 WeakPolarHBondContact O-CB 3.22Å; N170-R191 WeakPolarHBondContact O-CG 3.45Å
171	S	85.3	Confident	87.5	Confident	34 Å²	34	55.4 Å²	55.4	24%	0.238	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	125.3	173.3	-72.8	0	0	0	0	111.8	R191 E193	S171-R191 WeakPolarHBondContact CA-O 3.28Å; S171-E193 WeakPolarHBondContact OG-CA 3.41Å; S171-E193 PolarHBondContact OG-N 3.4Å
172	G	88.2	Confident	88	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-2.2	-174.3	0	0	0	0	0	114	N170 F174 R191 L245 K247 K248	N170-G172 PolarHBondContact O-N 3.48Å; G172-F174 WeakPolarHBondContact O-CD1 3.21Å; G172-R191 PolarHBondContact N-O 3.04Å; G172-L245 WeakPolarHBondContact CA-O 3.25Å; G172-K247 PolarHBondContact O-N 3.25Å; G172-K248 PolarHBondContact O-N 3.07Å; G172-K248 VanDerWaalsContact O-N 3.14Å
173	D	91.7	Very high	88.1	Confident	8 Å²	8	53.5 Å²	53.5	4%	0.043	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.9	168	-70.2	-8.3	0	0	0	109.2	L168 N170 V190 R191 K248 I250	L168-D173 HydrophobicContact CB-CB 4.43Å; L168-D173 HydrophobicContact CD2-CB 4.12Å; N170-D173 WeakPolarHBondContact CA-OD2 3.5Å; N170-D173 VanDerWaalsContact CB-OD2 3.28Å; N170-D173 WeakPolarHBondContact CB-OD2 3.28Å; N170-D173 PolarHBondContact N-OD2 3.48Å; N170-D173 PolarHBondContact ND2-OD2 3.14Å; N170-D173 WeakPolarHBondContact O-CB 3.3Å; N170-D173 VanDerWaalsContact O-CG 3.3Å; N170-D173 PolarHBondContact O-N 2.92Å; D173-V190 CarbonylContact O-C 3.48Å; D173-V190 WeakPolarHBondContact O-CA 3.44Å; D173-V190 WeakPolarHBondContact O-CG2 3.3Å; D173-R191 PolarHBondContact O-N 2.85Å; D173-K248 CarbonylContact C-O 3.56Å; D173-K248 VanDerWaalsContact CA-O 3.26Å; D173-K248 WeakPolarHBondContact CA-O 3.17Å; D173-I250 HydrophobicContact CB-CD1 3.95Å; D173-I250 HydrophobicContact CB-CG1 3.97Å
174	F	94.6	Very high	87.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154	-173.4	72.2	-92.2	0	0	0	114.7	Y155 G172 L188 M189 V190 L231 V235 L246 K248 P249 I250	Y155-F174 HydrophobicContact CD2-CD2 4.24Å; Y155-F174 AromaticContact CD2-CE2 3.97Å; Y155-F174 HydrophobicContact CD2-CE2 3.97Å; Y155-F174 HydrophobicContact CE2-CD2 4.26Å; Y155-F174 AromaticContact CE2-CE2 3.71Å; Y155-F174 HydrophobicContact CE2-CE2 3.71Å; G172-F174 WeakPolarHBondContact O-CD1 3.21Å; F174-L188 HydrophobicContact CB-CD1 4.04Å; F174-L188 HydrophobicContact CD2-CD1 3.82Å; F174-L188 HydrophobicContact CG-CD1 4.28Å; F174-M189 CarbonylContact C-O 3.45Å; F174-M189 VanDerWaalsContact CA-O 3.24Å; F174-M189 WeakPolarHBondContact CA-O 3.29Å; F174-M189 WeakPolarHBondContact CB-O 3.43Å; F174-V190 HydrophobicContact CB-CB 4.28Å; F174-V190 HydrophobicContact CB-CG2 3.65Å; F174-L231 HydrophobicContact CE2-CD1 4.41Å; F174-V235 HydrophobicContact CE1-CG2 3.69Å; F174-V235 HydrophobicContact CZ-CG2 3.98Å; F174-L246 HydrophobicContact CB-CD2 4.12Å; F174-L246 HydrophobicContact CD1-CB 3.97Å; F174-L246 HydrophobicContact CD1-CD2 4.16Å; F174-L246 HydrophobicContact CD1-CG 4.47Å; F174-L246 HydrophobicContact CE1-CB 3.97Å; F174-L246 HydrophobicContact CG-CD2 4.17Å; F174-K248 VanDerWaalsContact CD1-C 3.4Å; F174-K248 WeakPolarHBondContact CD1-O 3.05Å; F174-K248 PolarHBondContact N-O 2.67Å; F174-P249 HydrophobicContact CD2-CB 4.44Å; F174-P249 HydrophobicContact CE1-CB 4.22Å; F174-P249 VanDerWaalsContact CE1-N 3.3Å; F174-P249 HydrophobicContact CE2-CB 3.87Å; F174-P249 HydrophobicContact CZ-CB 3.75Å; F174-P249 HydrophobicContact CZ-CG 4.29Å; F174-P249 CarbonylContact O-C 3.6Å; F174-P249 WeakPolarHBondContact O-CA 3.5Å; F174-I250 PolarHBondContact O-N 2.72Å
175	I	94.7	Very high	88	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	161	174.9	60.4	177.9	0	0	0	110.3	Y155 H157 I159 A164 L168 M189 I250	Y155-I175 WeakPolarHBondContact O-CA 3.42Å; H157-I175 HydrophobicContact CB-CD1 4.33Å; H157-I175 VanDerWaalsContact CD2-CG2 3.42Å; H157-I175 WeakPolarHBondContact CD2-CG2 3.18Å; I159-I175 HydrophobicContact CD1-CD1 3.54Å; I159-I175 HydrophobicContact CG1-CD1 4.3Å; A164-I175 HydrophobicContact CB-CD1 3.94Å; L168-I175 HydrophobicContact CD1-CD1 4.48Å; L168-I175 HydrophobicContact CD1-CG1 4.28Å; L168-I175 HydrophobicContact CD2-CB 4.46Å; L168-I175 HydrophobicContact CD2-CG1 4.18Å; L168-I175 HydrophobicContact CD2-CG2 3.86Å; I175-M189 HydrophobicContact CD1-CB 4.46Å; I175-M189 HydrophobicContact CD1-SD 4.47Å; I175-M189 HydrophobicContact CG1-CB 3.85Å; I175-M189 PolarHBondContact N-O 2.92Å; I175-M189 PolarHBondContact O-N 2.98Å; I175-I250 HydrophobicContact CG2-CB 3.83Å
176	L	93.6	Very high	88.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	148.6	169.4	-63.3	176	0	0	0	110.3	P150 L153 Y155 F156 H157 I186 D187 L188 L227 L231	P150-L176 HydrophobicContact CB-CD1 4.5Å; L153-L176 HydrophobicContact CD1-CD1 3.67Å; Y155-L176 HydrophobicContact CD2-CD1 4.09Å; Y155-L176 HydrophobicContact CD2-CG 3.92Å; Y155-L176 HydrophobicContact CE2-CD1 3.46Å; Y155-L176 VanDerWaalsContact CE2-CD1 3.46Å; Y155-L176 HydrophobicContact CE2-CG 3.63Å; Y155-L176 PolarHBondContact O-N 3.06Å; F156-L176 CarbonylContact C-O 3.53Å; F156-L176 WeakPolarHBondContact CA-O 3.17Å; F156-L176 HydrophobicContact CB-CB 4.41Å; F156-L176 HydrophobicContact CD2-CB 3.87Å; H157-L176 PolarHBondContact N-O 2.96Å; L176-I186 HydrophobicContact CB-CG2 4.08Å; L176-I186 HydrophobicContact CD1-CG2 4.46Å; L176-I186 HydrophobicContact CD2-CG2 4Å; L176-I186 HydrophobicContact CG-CG2 4.41Å; L176-D187 WeakPolarHBondContact CA-O 3.5Å; L176-L188 HydrophobicContact CD2-CB 4.09Å; L176-L188 HydrophobicContact CD2-CD1 3.89Å; L176-L227 HydrophobicContact CD1-CD2 3.83Å; L176-L227 HydrophobicContact CD1-CG 4.43Å; L176-L227 HydrophobicContact CD2-CD2 4.05Å; L176-L231 HydrophobicContact CD1-CD1 4.17Å; L176-L231 HydrophobicContact CD2-CD1 3.89Å; L176-L231 HydrophobicContact CG-CD1 4.34Å
177	K	91.4	Very high	88.6	Confident	5 Å²	5	45.2 Å²	45.2	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	165.1	166.6	71	167.8	-119.3	-76.4	0	111.7	H157 D180 D187 M189	H157-K177 VanDerWaalsContact O-CB 3.24Å; H157-K177 WeakPolarHBondContact O-CB 3.28Å; K177-D180 IonicContact NZ-OD1 3.89Å; K177-D180 IonicContact NZ-OD2 3.85Å; K177-D180 PolarHBondContact NZ-OD2 3.29Å; K177-D187 HydrophobicContact CG-CB 4.21Å; K177-D187 PolarHBondContact N-O 3.2Å; K177-D187 IonicContact NZ-OD2 2.77Å; K177-D187 PolarHBondContact O-N 3.41Å; K177-M189 HydrophobicContact CD-CG 4.49Å; K177-M189 HydrophobicContact CD-SD 3.6Å; K177-M189 VanDerWaalsContact CD-SD 3.6Å; K177-M189 HydrophobicContact CG-CG 4.37Å; K177-M189 HydrophobicContact CG-SD 4.06Å
178	R	90.5	Very high	88.8	Confident	108 Å²	108	43.9 Å²	43.9	41%	0.408	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	140.6	166.5	-86.7	162.9	-160.1	-102.5	7.2	110.2	F156	F156-R178 HydrophobicContact CZ-CG 3.95Å
179	S	88.8	Confident	89	Confident	9 Å²	9	44 Å²	44	6%	0.063	23%	0.232	C	C	.	.			trans	-70.8	135.3	175.5	-161.8	0	0	0	0	111.3	K181 D182 A185 D187	S179-K181 PolarHBondContact O-N 3.17Å; S179-K181 PolarHBondContact OG-N 3.4Å; S179-D182 VanDerWaalsContact CB-O 3.3Å; S179-D182 WeakPolarHBondContact CB-O 3.36Å; S179-D182 CarbonylContact O-C 3.56Å; S179-A185 WeakPolarHBondContact CB-O 3.39Å; S179-A185 PolarHBondContact N-O 2.95Å; S179-D187 WeakPolarHBondContact CA-OD2 3.49Å; S179-D187 WeakPolarHBondContact CB-OD1 3.46Å; S179-D187 VanDerWaalsContact OG-CG 3.27Å; S179-D187 PolarHBondContact OG-OD1 3Å; S179-D187 PolarHBondContact OG-OD2 3.28Å
180	D	85.6	Confident	89.4	Confident	122 Å²	122	39.9 Å²	39.9	65%	0.652	20%	0.204	S	C	*	.	S	Bend	trans	-71	-18.7	173	-53.9	-52.4	0	0	0	111.5	K177	K177-D180 IonicContact NZ-OD1 3.89Å; K177-D180 IonicContact NZ-OD2 3.85Å; K177-D180 PolarHBondContact NZ-OD2 3.29Å
181	K	85.5	Confident	89.8	Confident	159 Å²	159	37.6 Å²	37.6	69%	0.691	19%	0.189	S	C	*	.	S	Bend	trans	-89.9	-33	-178.4	-68.5	173.9	177.4	161.5	0	113	S179 H200	S179-K181 PolarHBondContact O-N 3.17Å; S179-K181 PolarHBondContact OG-N 3.4Å; K181-H200 PolarHBondContact NZ-CD2 3.39Å; K181-H200 PolarHBondContact NZ-NE2 2.92Å
182	D	86.4	Confident	89.8	Confident	82 Å²	82	36.2 Å²	36.2	44%	0.439	18%	0.179	S	C	.	.			trans	-146.6	114.8	178.8	178.1	0.2	0	0	0	109.9	S179 K184 A185	S179-D182 VanDerWaalsContact CB-O 3.3Å; S179-D182 WeakPolarHBondContact CB-O 3.36Å; S179-D182 CarbonylContact O-C 3.56Å; D182-K184 PolarHBondContact O-N 3.25Å; D182-K184 PolarHBondContact OD1-N 2.75Å; D182-A185 HydrophobicContact CB-CB 3.79Å; D182-A185 WeakPolarHBondContact O-CB 3.37Å; D182-A185 PolarHBondContact O-N 3.42Å
183	A	82.5	Confident	89.3	Confident	69 Å²	69	39.5 Å²	39.5	57%	0.57	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-15.1	-177.8	0	0	0	0	0	114.2
184	K	82.9	Confident	88.7	Confident	142 Å²	142	46.8 Å²	46.8	62%	0.617	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-14	173.4	-66.4	-171.7	178.9	-175.1	0	113.8	D182 T204 L205	D182-K184 PolarHBondContact O-N 3.25Å; D182-K184 PolarHBondContact OD1-N 2.75Å; K184-T204 WeakPolarHBondContact O-CA 3.5Å; K184-L205 PolarHBondContact O-N 3.17Å
185	A	88.6	Confident	88.4	Confident	6 Å²	6	52 Å²	52	5%	0.05	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	147.1	-178.3	0	0	0	0	0	110.8	S179 D182 G203	S179-A185 WeakPolarHBondContact CB-O 3.39Å; S179-A185 PolarHBondContact N-O 2.95Å; D182-A185 HydrophobicContact CB-CB 3.79Å; D182-A185 WeakPolarHBondContact O-CB 3.37Å; D182-A185 PolarHBondContact O-N 3.42Å; A185-G203 CarbonylContact C-O 3.44Å; A185-G203 WeakPolarHBondContact CA-O 3.46Å
186	I	90.6	Very high	88.2	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.9	176	-55	-64.9	0	0	0	108.1	P150 V151 F156 L176 G201 L202 G203 L227	P150-I186 HydrophobicContact CB-CD1 4.28Å; P150-I186 HydrophobicContact CB-CG1 4.02Å; P150-I186 HydrophobicContact CB-CG2 4.43Å; P150-I186 HydrophobicContact CG-CG1 4.23Å; V151-I186 HydrophobicContact CG1-CD1 4.34Å; F156-I186 HydrophobicContact CE2-CD1 3.91Å; L176-I186 HydrophobicContact CB-CG2 4.08Å; L176-I186 HydrophobicContact CD1-CG2 4.46Å; L176-I186 HydrophobicContact CD2-CG2 4Å; L176-I186 HydrophobicContact CG-CG2 4.41Å; I186-G201 CarbonylContact O-C 3.59Å; I186-G201 WeakPolarHBondContact O-CA 3.32Å; I186-G201 PolarHBondContact O-N 3.23Å; I186-L202 PolarHBondContact O-N 3.14Å; I186-G203 PolarHBondContact N-O 3.06Å; I186-G203 PolarHBondContact O-N 3.34Å; I186-L227 HydrophobicContact CB-CD2 4.33Å; I186-L227 HydrophobicContact CG2-CD2 3.89Å
187	D	92.1	Very high	88.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140	173.7	-71.1	-2.9	0	0	0	109.6	L176 K177 S179 T198 M199 H200 G201	L176-D187 WeakPolarHBondContact CA-O 3.5Å; K177-D187 HydrophobicContact CG-CB 4.21Å; K177-D187 PolarHBondContact N-O 3.2Å; K177-D187 IonicContact NZ-OD2 2.77Å; K177-D187 PolarHBondContact O-N 3.41Å; S179-D187 WeakPolarHBondContact CA-OD2 3.49Å; S179-D187 WeakPolarHBondContact CB-OD1 3.46Å; S179-D187 VanDerWaalsContact OG-CG 3.27Å; S179-D187 PolarHBondContact OG-OD1 3Å; S179-D187 PolarHBondContact OG-OD2 3.28Å; D187-T198 HydrophobicContact CB-CG2 3.97Å; D187-M199 WeakPolarHBondContact CA-O 3.22Å; D187-H200 WeakPolarHBondContact OD1-CA 3.43Å; D187-H200 IonicContact OD1-CG 3.09Å; D187-H200 IonicContact OD1-ND1 3.71Å; D187-H200 PolarHBondContact OD1-ND1 3.15Å; D187-H200 IonicContact OD2-CE1 3.94Å; D187-H200 IonicContact OD2-CG 2.73Å; D187-H200 IonicContact OD2-ND1 3.78Å; D187-H200 PolarHBondContact OD2-ND1 2.91Å; D187-G201 PolarHBondContact OD1-N 2.79Å
188	L	93.4	Very high	88	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.4	169.6	171	65.8	0	0	0	108.6	F174 L176 M199 L202 L231 L246	F174-L188 HydrophobicContact CB-CD1 4.04Å; F174-L188 HydrophobicContact CD2-CD1 3.82Å; F174-L188 HydrophobicContact CG-CD1 4.28Å; L176-L188 HydrophobicContact CD2-CB 4.09Å; L176-L188 HydrophobicContact CD2-CD1 3.89Å; L188-M199 HydrophobicContact CB-CB 4.34Å; L188-M199 HydrophobicContact CB-CE 4.37Å; L188-M199 HydrophobicContact CD2-CE 3.3Å; L188-M199 HydrophobicContact CD2-SD 4.27Å; L188-M199 HydrophobicContact CG-CE 3.72Å; L188-M199 PolarHBondContact N-O 2.86Å; L188-M199 PolarHBondContact O-N 3.44Å; L188-L202 HydrophobicContact CB-CD2 4.12Å; L188-L202 HydrophobicContact CD2-CD2 3.75Å; L188-L231 HydrophobicContact CD1-CD1 4.47Å; L188-L231 HydrophobicContact CD1-CD2 4.43Å; L188-L231 HydrophobicContact CD2-CD2 3.68Å; L188-L246 HydrophobicContact CD2-CD1 4.14Å; L188-L246 HydrophobicContact CD2-CD2 4.2Å
189	M	94	Very high	88	Confident	2 Å²	2	54 Å²	54	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.2	173.3	-60.7	-173	80.3	0	0	109.5	A161 A164 L168 F174 I175 K177 V196 K197 T198	A161-M189 HydrophobicContact CB-CE 3.8Å; A164-M189 HydrophobicContact CB-CE 3.51Å; A164-M189 HydrophobicContact CB-SD 3.77Å; L168-M189 HydrophobicContact CD1-CB 4.2Å; F174-M189 CarbonylContact C-O 3.45Å; F174-M189 VanDerWaalsContact CA-O 3.24Å; F174-M189 WeakPolarHBondContact CA-O 3.29Å; F174-M189 WeakPolarHBondContact CB-O 3.43Å; I175-M189 HydrophobicContact CD1-CB 4.46Å; I175-M189 HydrophobicContact CD1-SD 4.47Å; I175-M189 HydrophobicContact CG1-CB 3.85Å; I175-M189 PolarHBondContact N-O 2.92Å; I175-M189 PolarHBondContact O-N 2.98Å; K177-M189 HydrophobicContact CD-CG 4.49Å; K177-M189 HydrophobicContact CD-SD 3.6Å; K177-M189 VanDerWaalsContact CD-SD 3.6Å; K177-M189 HydrophobicContact CG-CG 4.37Å; K177-M189 HydrophobicContact CG-SD 4.06Å; M189-V196 HydrophobicContact CB-CG1 4.19Å; M189-V196 HydrophobicContact CE-CG1 3.64Å; M189-K197 WeakPolarHBondContact CA-O 3.33Å; M189-T198 HydrophobicContact CG-CG2 4.22Å
190	V	93.8	Very high	88	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	135.6	-175.4	86.9	0	0	0	0	109.7	D173 F174 W192 V196 K197 M199 V244 L246	D173-V190 CarbonylContact O-C 3.48Å; D173-V190 WeakPolarHBondContact O-CA 3.44Å; D173-V190 WeakPolarHBondContact O-CG2 3.3Å; F174-V190 HydrophobicContact CB-CB 4.28Å; F174-V190 HydrophobicContact CB-CG2 3.65Å; V190-W192 HydrophobicContact CG1-CB 4.44Å; V190-V196 CarbonylContact O-C 3.59Å; V190-V196 WeakPolarHBondContact O-CA 3.19Å; V190-K197 HydrophobicContact CG1-CB 4.05Å; V190-K197 PolarHBondContact N-O 2.83Å; V190-K197 PolarHBondContact O-N 3.14Å; V190-M199 HydrophobicContact CG1-CE 4.3Å; V190-V244 HydrophobicContact CB-CG1 4.27Å; V190-V244 HydrophobicContact CG1-CB 4.2Å; V190-V244 HydrophobicContact CG1-CG1 3.33Å; V190-V244 HydrophobicContact CG1-CG2 4.27Å; V190-V244 HydrophobicContact CG2-CG1 3.97Å; V190-L246 HydrophobicContact CB-CD2 4.33Å; V190-L246 HydrophobicContact CG2-CD2 3.39Å
191	R	91.2	Very high	87.8	Confident	43 Å²	43	54 Å²	54	16%	0.162	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.1	167.1	178.6	74.2	170.2	-149.9	2.2	108.9	L168 N170 S171 G172 D173 E193 E194	L168-R191 HydrophobicContact CB-CB 3.61Å; L168-R191 WeakPolarHBondContact O-CB 3.48Å; L168-R191 WeakPolarHBondContact O-CD 3.23Å; L168-R191 VanDerWaalsContact O-CG 3.23Å; L168-R191 WeakPolarHBondContact O-CG 3.27Å; N170-R191 VanDerWaalsContact O-CB 3.31Å; N170-R191 WeakPolarHBondContact O-CB 3.22Å; N170-R191 WeakPolarHBondContact O-CG 3.45Å; S171-R191 WeakPolarHBondContact CA-O 3.28Å; G172-R191 PolarHBondContact N-O 3.04Å; D173-R191 PolarHBondContact O-N 2.85Å; R191-E193 PolarHBondContact NE-O 2.87Å; R191-E194 PolarHBondContact NH2-O 2.82Å
192	W	86.6	Confident	87.5	Confident	5 Å²	5	48 Å²	48	2%	0.019	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	115.1	-179.2	-165.9	-116.1	0	0	0	108.9	V190 E194 E195 K197 V244 L245 W476 R529 F531	V190-W192 HydrophobicContact CG1-CB 4.44Å; W192-E194 PolarHBondContact O-N 3.36Å; W192-E195 PolarHBondContact N-O 2.94Å; W192-E195 PolarHBondContact O-N 2.79Å; W192-E195 VanDerWaalsContact O-O 3.12Å; W192-K197 HydrophobicContact CB-CD 4.31Å; W192-K197 HydrophobicContact CG-CD 4.44Å; W192-V244 HydrophobicContact CB-CG1 4.26Å; W192-V244 HydrophobicContact CD2-CB 4.21Å; W192-V244 HydrophobicContact CD2-CG1 3.55Å; W192-V244 HydrophobicContact CD2-CG2 4.2Å; W192-V244 HydrophobicContact CE3-CB 4.41Å; W192-V244 HydrophobicContact CE3-CG1 3.42Å; W192-V244 VanDerWaalsContact CE3-CG1 3.42Å; W192-V244 HydrophobicContact CG-CG1 3.95Å; W192-V244 HydrophobicContact CG-CG2 4.07Å; W192-V244 HydrophobicContact CZ3-CG1 3.95Å; W192-L245 HydrophobicContact CH2-CB 3.67Å; W192-L245 HydrophobicContact CH2-CD1 4.3Å; W192-L245 HydrophobicContact CH2-CG 4.3Å; W192-L245 HydrophobicContact CZ3-CB 3.69Å; W192-L245 VanDerWaalsContact CZ3-N 3.28Å; W192-L245 WeakPolarHBondContact CZ3-O 3.37Å; W192-W476 HydrophobicContact CH2-CZ2 4.25Å; W192-W476 HydrophobicContact CZ2-CZ2 4.03Å; W192-R529 HydrophobicContact CD2-CG 4.16Å; W192-R529 HydrophobicContact CG-CG 4.15Å; W192-R529 HydrophobicContact CZ2-CB 4.44Å; W192-R529 HydrophobicContact CZ2-CG 4.3Å; W192-R529 PolarHBondContact O-NE 2.98Å; W192-R529 PolarHBondContact O-NH1 2.74Å; W192-R529 PolarHBondContact O-NH2 3.28Å; W192-F531 AromaticContact CH2-CD2 3.91Å; W192-F531 HydrophobicContact CH2-CD2 3.91Å; W192-F531 AromaticContact CH2-CE2 3.09Å; W192-F531 HydrophobicContact CH2-CE2 3.09Å; W192-F531 AromaticContact CH2-CZ 3.46Å; W192-F531 HydrophobicContact CH2-CZ 3.46Å; W192-F531 VanDerWaalsContact CH2-CZ 3.46Å; W192-F531 HydrophobicContact CZ2-CD2 4.25Å; W192-F531 AromaticContact CZ2-CE2 3.56Å; W192-F531 HydrophobicContact CZ2-CE2 3.56Å; W192-F531 HydrophobicContact CZ2-CZ 4.32Å; W192-F531 AromaticContact CZ3-CE2 3.9Å; W192-F531 HydrophobicContact CZ3-CE2 3.9Å; W192-F531 AromaticContact CZ3-CZ 3.81Å; W192-F531 HydrophobicContact CZ3-CZ 3.81Å
193	E	76.6	Confident	86.8	Confident	68 Å²	68	44.3 Å²	44.3	32%	0.318	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.8	-114	-148.8	-72.7	139	-156.7	0	0	111.7	S171 R191 R529	S171-E193 WeakPolarHBondContact OG-CA 3.41Å; S171-E193 PolarHBondContact OG-N 3.4Å; R191-E193 PolarHBondContact NE-O 2.87Å; E193-R529 HydrophobicContact CB-CG 4.12Å; E193-R529 HydrophobicContact CG-CB 4.28Å; E193-R529 HydrophobicContact CG-CG 3.42Å; E193-R529 VanDerWaalsContact CG-CG 3.42Å; E193-R529 WeakPolarHBondContact OE1-CA 3.4Å; E193-R529 WeakPolarHBondContact OE1-CB 3.46Å; E193-R529 WeakPolarHBondContact OE1-CD 3.39Å; E193-R529 WeakPolarHBondContact OE1-CG 3.31Å; E193-R529 PolarHBondContact OE1-N 3.01Å; E193-R529 IonicContact OE1-NE 2.94Å; E193-R529 PolarHBondContact OE1-NE 2.98Å; E193-R529 WeakPolarHBondContact OE2-CD 3.43Å; E193-R529 IonicContact OE2-CZ 3.72Å; E193-R529 IonicContact OE2-NE 3.75Å; E193-R529 PolarHBondContact OE2-NE 2.81Å; E193-R529 IonicContact OE2-NH2 2.67Å; E193-R529 PolarHBondContact OE2-NH2 3.4Å
194	E	80	Confident	85.9	Confident	161 Å²	161	44.4 Å²	44.4	75%	0.752	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	4.5	-170.9	-58.1	-150.7	161.1	0	0	112.8	R191 W192	R191-E194 PolarHBondContact NH2-O 2.82Å; W192-E194 PolarHBondContact O-N 3.36Å
195	E	87.4	Confident	84.9	Confident	110 Å²	110	40.4 Å²	40.4	51%	0.514	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.2	-177.4	-62.1	170.3	147.7	0	0	110.3	W192 R529	W192-E195 PolarHBondContact N-O 2.94Å; W192-E195 PolarHBondContact O-N 2.79Å; W192-E195 VanDerWaalsContact O-O 3.12Å; E195-R529 IonicContact OE2-CZ 3.1Å; E195-R529 IonicContact OE2-NH1 3.1Å; E195-R529 PolarHBondContact OE2-NH1 3.05Å; E195-R529 IonicContact OE2-NH2 2.92Å; E195-R529 PolarHBondContact OE2-NH2 3.24Å
196	V	90.7	Very high	83.5	Confident	26 Å²	26	42.9 Å²	42.9	16%	0.158	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	115.7	168.7	177.7	0	0	0	0	109.4	A164 E165 L168 M189 V190	A164-V196 HydrophobicContact CB-CG1 4.49Å; E165-V196 HydrophobicContact CB-CG2 4.31Å; E165-V196 HydrophobicContact CG-CB 4.21Å; E165-V196 HydrophobicContact CG-CG2 3.74Å; L168-V196 HydrophobicContact CB-CG2 4.4Å; L168-V196 HydrophobicContact CD1-CG1 3.77Å; L168-V196 HydrophobicContact CD1-CG2 4.04Å; M189-V196 HydrophobicContact CB-CG1 4.19Å; M189-V196 HydrophobicContact CE-CG1 3.64Å; V190-V196 CarbonylContact O-C 3.59Å; V190-V196 WeakPolarHBondContact O-CA 3.19Å
197	K	90.5	Very high	81.8	Confident	66 Å²	66	50.4 Å²	50.4	29%	0.287	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.5	173.7	-73.9	-176.6	174.6	-176.8	0	109.9	M189 V190 W192 V244	M189-K197 WeakPolarHBondContact CA-O 3.33Å; V190-K197 HydrophobicContact CG1-CB 4.05Å; V190-K197 PolarHBondContact N-O 2.83Å; V190-K197 PolarHBondContact O-N 3.14Å; W192-K197 HydrophobicContact CB-CD 4.31Å; W192-K197 HydrophobicContact CG-CD 4.44Å; K197-V244 HydrophobicContact CD-CG2 3.72Å
198	T	90.6	Very high	80.8	Confident	45 Å²	45	51.4 Å²	51.4	28%	0.276	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.3	174.7	-56.3	0	0	0	0	110.2	D187 M189	D187-T198 HydrophobicContact CB-CG2 3.97Å; M189-T198 HydrophobicContact CG-CG2 4.22Å
199	M	90.5	Very high	80.2	Confident	17 Å²	17	55 Å²	55	8%	0.084	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	107.8	170.5	-70.7	174.1	-87	0	0	108.5	D187 L188 V190 L202 I241 N242	D187-M199 WeakPolarHBondContact CA-O 3.22Å; L188-M199 HydrophobicContact CB-CB 4.34Å; L188-M199 HydrophobicContact CB-CE 4.37Å; L188-M199 HydrophobicContact CD2-CE 3.3Å; L188-M199 HydrophobicContact CD2-SD 4.27Å; L188-M199 HydrophobicContact CG-CE 3.72Å; L188-M199 PolarHBondContact N-O 2.86Å; L188-M199 PolarHBondContact O-N 3.44Å; V190-M199 HydrophobicContact CG1-CE 4.3Å; M199-L202 HydrophobicContact CB-CD1 4.05Å; M199-L202 HydrophobicContact SD-CD1 4.38Å; M199-I241 HydrophobicContact SD-CB 4.25Å; M199-I241 HydrophobicContact SD-CG2 3.63Å; M199-N242 HydrophobicContact SD-CB 4.04Å
200	H	87.9	Confident	79.9	Confident	90 Å²	90	55.8 Å²	55.8	42%	0.417	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	138.3	-173.8	-63.6	-71.9	0	0	0	112.8	K181 D187 L202	K181-H200 PolarHBondContact NZ-CD2 3.39Å; K181-H200 PolarHBondContact NZ-NE2 2.92Å; D187-H200 WeakPolarHBondContact OD1-CA 3.43Å; D187-H200 IonicContact OD1-CG 3.09Å; D187-H200 IonicContact OD1-ND1 3.71Å; D187-H200 PolarHBondContact OD1-ND1 3.15Å; D187-H200 IonicContact OD2-CE1 3.94Å; D187-H200 IonicContact OD2-CG 2.73Å; D187-H200 IonicContact OD2-ND1 3.78Å; D187-H200 PolarHBondContact OD2-ND1 2.91Å; H200-L202 VanDerWaalsContact C-N 3.35Å; H200-L202 PolarHBondContact O-N 2.98Å
201	G	82.1	Confident	79.6	Confident	41 Å²	41	59.5 Å²	59.5	42%	0.423	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.8	39.2	172.6	0	0	0	0	0	114.5	I186 D187 G203	I186-G201 CarbonylContact O-C 3.59Å; I186-G201 WeakPolarHBondContact O-CA 3.32Å; I186-G201 PolarHBondContact O-N 3.23Å; D187-G201 PolarHBondContact OD1-N 2.79Å; G201-G203 PolarHBondContact O-N 3.24Å
202	L	79.5	Confident	79.6	Confident	34 Å²	34	58.2 Å²	58.2	18%	0.178	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	-27.4	175.5	-147.8	89.3	0	0	0	111.6	I186 L188 M199 H200 Y210 L227 Y230 L231 I241	I186-L202 PolarHBondContact O-N 3.14Å; L188-L202 HydrophobicContact CB-CD2 4.12Å; L188-L202 HydrophobicContact CD2-CD2 3.75Å; M199-L202 HydrophobicContact CB-CD1 4.05Å; M199-L202 HydrophobicContact SD-CD1 4.38Å; H200-L202 VanDerWaalsContact C-N 3.35Å; H200-L202 PolarHBondContact O-N 2.98Å; L202-Y210 WeakPolarHBondContact O-CE1 3.45Å; L202-L227 HydrophobicContact CD2-CD1 3.98Å; L202-Y230 HydrophobicContact CD2-CD1 4.33Å; L202-Y230 HydrophobicContact CD2-CE1 4.03Å; L202-L231 HydrophobicContact CD2-CD2 3.72Å; L202-I241 HydrophobicContact CD1-CG2 4.18Å
203	G	71.1	Confident	79.5	Confident	4 Å²	4	59.9 Å²	59.9	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	163.7	174.2	0	0	0	0	0	112.5	A185 I186 G201	A185-G203 CarbonylContact C-O 3.44Å; A185-G203 WeakPolarHBondContact CA-O 3.46Å; I186-G203 PolarHBondContact N-O 3.06Å; I186-G203 PolarHBondContact O-N 3.34Å; G201-G203 PolarHBondContact O-N 3.24Å
204	T	64	Low	79.8	Confident	71 Å²	71	60.5 Å²	60.5	44%	0.436	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.9	172.6	43.7	0	0	0	0	110.1	K184 G206 S208	K184-T204 WeakPolarHBondContact O-CA 3.5Å; T204-G206 PolarHBondContact O-N 2.79Å; T204-G206 VanDerWaalsContact O-N 3.07Å; T204-S208 PolarHBondContact O-OG 3.16Å; T204-S208 PolarHBondContact OG1-OG 3.12Å
205	L	61.7	Low	79.5	Confident	59 Å²	59	57.9 Å²	57.9	31%	0.309	33%	0.334	S	S	.	.	S	Bend	trans	-58.7	110.4	172.7	-79.9	167.6	0	0	0	110.3	D149 V151 K184	D149-L205 WeakPolarHBondContact OD1-CD2 3.43Å; V151-L205 HydrophobicContact CG1-CD2 4.15Å; K184-L205 PolarHBondContact O-N 3.17Å
206	G	58.9	Low	79.1	Confident	57 Å²	57	53.7 Å²	53.7	59%	0.588	32%	0.316	S	S	*	.	S	Bend	trans	128.5	169.5	-176.5	0	0	0	0	0	113.1	T204 S208	T204-G206 PolarHBondContact O-N 2.79Å; T204-G206 VanDerWaalsContact O-N 3.07Å; G206-S208 PolarHBondContact O-N 3.21Å; G206-S208 PolarHBondContact O-OG 3.24Å
207	N	56.4	Low	78.8	Confident	160 Å²	160	58.4 Å²	58.4	86%	0.856	35%	0.345	S	S	*	.			trans	-52.2	97	-178.1	-93.8	10.1	0	0	0	111.9
208	S	69.9	Low	78.5	Confident	20 Å²	20	58.7 Å²	58.7	14%	0.14	35%	0.35	C	S	.	.			trans	-113.3	128.6	179.9	-59.1	0	0	0	0	107.4	T204 G206 Y210	T204-S208 PolarHBondContact O-OG 3.16Å; T204-S208 PolarHBondContact OG1-OG 3.12Å; G206-S208 PolarHBondContact O-N 3.21Å; G206-S208 PolarHBondContact O-OG 3.24Å; S208-Y210 WeakPolarHBondContact CB-OH 3.35Å; S208-Y210 WeakPolarHBondContact O-CD2 3.38Å; S208-Y210 WeakPolarHBondContact O-CE2 3.37Å
209	V	81.2	Confident	78.4	Confident	76 Å²	76	56.8 Å²	56.8	46%	0.461	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-99.6	122.5	176.4	-179.6	0	0	0	0	107.3	H223 Y225	V209-H223 HydrophobicContact CG1-CB 3.42Å; V209-H223 VanDerWaalsContact CG1-CB 3.42Å; V209-Y225 HydrophobicContact CG2-CD1 4.27Å; V209-Y225 HydrophobicContact CG2-CE1 4.3Å
210	Y	87.1	Confident	78.1	Confident	18 Å²	18	57 Å²	57	7%	0.071	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.9	-175.7	-59.6	-88.1	0	0	0	109.7	L202 S208 H223 V224 S226 L227 Y230	L202-Y210 WeakPolarHBondContact O-CE1 3.45Å; S208-Y210 WeakPolarHBondContact CB-OH 3.35Å; S208-Y210 WeakPolarHBondContact O-CD2 3.38Å; S208-Y210 WeakPolarHBondContact O-CE2 3.37Å; Y210-H223 CarbonylContact O-C 3.53Å; Y210-H223 VanDerWaalsContact O-CA 3.23Å; Y210-H223 WeakPolarHBondContact O-CA 3.25Å; Y210-V224 PolarHBondContact N-O 3.37Å; Y210-V224 PolarHBondContact O-N 2.89Å; Y210-S226 WeakPolarHBondContact CD2-O 3.35Å; Y210-S226 VanDerWaalsContact CE2-C 3.49Å; Y210-L227 HydrophobicContact CD1-CD1 4.31Å; Y210-L227 HydrophobicContact CE1-CB 4.36Å; Y210-L227 HydrophobicContact CE1-CD1 3.75Å; Y210-L227 HydrophobicContact CE2-CB 4.13Å; Y210-L227 VanDerWaalsContact CE2-N 3.3Å; Y210-Y230 HydrophobicContact CD1-CD1 4.41Å; Y210-Y230 HydrophobicContact CD1-CG 4.33Å; Y210-Y230 HydrophobicContact CG-CG 4.28Å
211	P	88.9	Confident	78.1	Confident	79 Å²	79	57.1 Å²	57.1	51%	0.513	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.2	179.1	29.6	-33.3	0	0	0	110.8	Y230	P211-Y230 VanDerWaalsContact O-CE2 3.29Å; P211-Y230 WeakPolarHBondContact O-CE2 3.41Å
212	L	89.4	Confident	78.5	Confident	15 Å²	15	55.6 Å²	55.6	8%	0.079	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-81.8	156.3	169.7	-61.8	-177.3	0	0	0	110.4	E222 V224 Y230 P302 P304 T382	L212-E222 HydrophobicContact CB-CB 4.17Å; L212-E222 HydrophobicContact CD1-CB 4.21Å; L212-E222 PolarHBondContact N-O 3.27Å; L212-V224 HydrophobicContact CD1-CG1 3.96Å; L212-V224 HydrophobicContact CD2-CG1 4Å; L212-V224 HydrophobicContact CD2-CG2 4.16Å; L212-V224 HydrophobicContact CG-CG1 4.09Å; L212-Y230 HydrophobicContact CD2-CD2 4.3Å; L212-P302 HydrophobicContact CD1-CG 4.39Å; L212-P304 HydrophobicContact CB-CB 4.08Å; L212-P304 HydrophobicContact CD1-CB 4.4Å; L212-T382 HydrophobicContact CD1-CG2 3.8Å
213	F	84.7	Confident	78.9	Confident	41 Å²	41	54.5 Å²	54.5	18%	0.18	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-74.4	151.5	-178.5	75.3	-90.7	0	0	0	112.3	C237 H239 P304 S306 S307	F213-C237 HydrophobicContact CE1-CB 3.83Å; F213-C237 HydrophobicContact CZ-CB 3.99Å; F213-H239 WeakPolarHBondContact CB-CE1 3.49Å; F213-H239 WeakPolarHBondContact CB-NE2 3.33Å; F213-H239 HydrophobicContact CD1-CB 3.6Å; F213-H239 AromaticContact CD1-CD2 3.7Å; F213-H239 AromaticContact CD1-CE1 3.88Å; F213-H239 AromaticContact CD1-CG 3.25Å; F213-H239 AromaticContact CD1-ND1 3.38Å; F213-H239 WeakPolarHBondContact CD1-ND1 3.49Å; F213-H239 AromaticContact CD2-CE1 3.64Å; F213-H239 AromaticContact CD2-ND1 3.43Å; F213-H239 WeakPolarHBondContact CD2-ND1 3.45Å; F213-H239 HydrophobicContact CE1-CB 3.39Å; F213-H239 AromaticContact CE1-CG 3.53Å; F213-H239 AromaticContact CE1-ND1 3.64Å; F213-H239 AromaticContact CE2-ND1 3.67Å; F213-H239 HydrophobicContact CG-CB 4.38Å; F213-H239 AromaticContact CG-CD2 3.88Å; F213-H239 AromaticContact CG-CE1 3.35Å; F213-H239 WeakPolarHBondContact CG-CE1 3.49Å; F213-H239 AromaticContact CG-CG 3.59Å; F213-H239 AromaticContact CG-ND1 3.24Å; F213-H239 WeakPolarHBondContact CG-ND1 3.41Å; F213-H239 AromaticContact CG-NE2 3.74Å; F213-H239 HydrophobicContact CZ-CB 4.01Å; F213-H239 AromaticContact CZ-ND1 3.73Å; F213-P304 HydrophobicContact CD1-CB 4.49Å; F213-P304 HydrophobicContact CD1-CG 3.48Å; F213-P304 VanDerWaalsContact CD1-CG 3.48Å; F213-P304 HydrophobicContact CD2-CG 4.32Å; F213-P304 HydrophobicContact CE1-CB 4.46Å; F213-P304 HydrophobicContact CE1-CG 3.16Å; F213-P304 HydrophobicContact CE2-CG 4.07Å; F213-P304 HydrophobicContact CG-CG 4.08Å; F213-P304 HydrophobicContact CZ-CG 3.54Å; F213-P304 WeakPolarHBondContact O-CB 3.48Å; F213-S306 WeakPolarHBondContact CE2-OG 3.34Å; F213-S307 WeakPolarHBondContact CZ-OG 3.39Å
214	K	83.2	Confident	79.7	Confident	80 Å²	80	54.6 Å²	54.6	35%	0.348	32%	0.32	S	S	.	.			trans	-139.6	146.9	173.9	69	-175	-167	174.7	0	111.7	S216 L219 D221	K214-S216 WeakPolarHBondContact CD-O 3.49Å; K214-L219 HydrophobicContact CB-CB 4.3Å; K214-L219 HydrophobicContact CB-CD1 4.36Å; K214-L219 HydrophobicContact CD-CB 4.36Å; K214-L219 PolarHBondContact NZ-O 3.18Å; K214-D221 VanDerWaalsContact CE-OD1 3.27Å; K214-D221 WeakPolarHBondContact CE-OD1 3.28Å; K214-D221 IonicContact NZ-OD1 3.03Å; K214-D221 PolarHBondContact NZ-OD1 3.08Å
215	T	74.9	Confident	80.5	Confident	107 Å²	107	57.2 Å²	57.2	66%	0.656	32%	0.323	S	S	*	.	S	Bend	trans	-93.5	-9.4	-178.4	52.9	0	0	0	0	113.7	S306	T215-S306 VanDerWaalsContact OG1-CB 3.25Å; T215-S306 WeakPolarHBondContact OG1-CB 3.25Å
216	S	78.5	Confident	81.7	Confident	21 Å²	21	54.9 Å²	54.9	15%	0.147	31%	0.312	C	S	.	.			trans	-141.7	144.1	-177.3	174.8	0	0	0	0	110.2	K214 N218 L219 Y314	K214-S216 WeakPolarHBondContact CD-O 3.49Å; S216-N218 PolarHBondContact O-N 2.85Å; S216-N218 PolarHBondContact OG-N 3.19Å; S216-L219 PolarHBondContact O-N 2.98Å; S216-Y314 PolarHBondContact OG-OH 2.85Å
217	T	83.1	Confident	83.2	Confident	125 Å²	125	52.3 Å²	52.3	77%	0.767	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.2	173	50.6	0	0	0	0	112.7	L219	T217-L219 PolarHBondContact O-N 3.39Å
218	N	85.4	Confident	84.8	Confident	73 Å²	73	44.7 Å²	44.7	39%	0.39	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.1	178.9	-65	0.9	0	0	0	112.6	S216 Y314 I334	S216-N218 PolarHBondContact O-N 2.85Å; S216-N218 PolarHBondContact OG-N 3.19Å; N218-Y314 PolarHBondContact ND2-OH 3.19Å; N218-Y314 VanDerWaalsContact ND2-OH 3.07Å; N218-I334 HydrophobicContact CB-CD1 4.21Å; N218-I334 HydrophobicContact CB-CG2 4.44Å
219	L	87.3	Confident	85.7	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.026	24%	0.24	C	C	.	.	S	Bend	trans	-79	141.1	171.4	-70.8	174.1	0	0	0	110.5	K214 S216 T217 I305 F311 I334 L341	K214-L219 HydrophobicContact CB-CB 4.3Å; K214-L219 HydrophobicContact CB-CD1 4.36Å; K214-L219 HydrophobicContact CD-CB 4.36Å; K214-L219 PolarHBondContact NZ-O 3.18Å; S216-L219 PolarHBondContact O-N 2.98Å; T217-L219 PolarHBondContact O-N 3.39Å; L219-I305 HydrophobicContact CD1-CB 4.46Å; L219-I305 HydrophobicContact CD1-CG2 4.42Å; L219-I305 HydrophobicContact CD2-CB 4.1Å; L219-I305 HydrophobicContact CD2-CD1 4.17Å; L219-I305 HydrophobicContact CD2-CG2 3.56Å; L219-F311 HydrophobicContact CD1-CE1 4.43Å; L219-F311 HydrophobicContact CD1-CZ 4.41Å; L219-F311 HydrophobicContact CD2-CE2 4.14Å; L219-F311 HydrophobicContact CD2-CZ 3.85Å; L219-I334 HydrophobicContact CD2-CD1 3.8Å; L219-I334 HydrophobicContact CD2-CG1 4.24Å; L219-I334 HydrophobicContact CG-CD1 4.03Å; L219-L341 HydrophobicContact CD2-CD1 4.39Å
220	P	85.8	Confident	86.2	Confident	22 Å²	22	42.8 Å²	42.8	14%	0.143	23%	0.227	C	C	.	.			trans	-61.6	152.4	174.3	28.6	-35.3	0	0	0	110.9	E222 I305 L341 T362	P220-E222 PolarHBondContact O-N 3.16Å; P220-I305 HydrophobicContact CG-CD1 3.49Å; P220-I305 VanDerWaalsContact CG-CD1 3.49Å; P220-L341 HydrophobicContact CG-CD2 4.27Å; P220-T362 VanDerWaalsContact CB-OG1 3.25Å; P220-T362 WeakPolarHBondContact CB-OG1 3.37Å
221	D	86	Confident	86.5	Confident	92 Å²	92	42 Å²	42	49%	0.492	22%	0.223	S	C	.	.			trans	-77.6	105.1	175.7	-64.7	-43.6	0	0	0	109.8	K214 H223	K214-D221 VanDerWaalsContact CE-OD1 3.27Å; K214-D221 WeakPolarHBondContact CE-OD1 3.28Å; K214-D221 IonicContact NZ-OD1 3.03Å; K214-D221 PolarHBondContact NZ-OD1 3.08Å; D221-H223 PolarHBondContact O-CE1 2.82Å; D221-H223 PolarHBondContact O-ND1 3.07Å
222	E	90.7	Very high	86.5	Confident	8 Å²	8	38.2 Å²	38.2	4%	0.037	20%	0.199	C	C	.	.			trans	-87.2	147.7	176.6	-66.8	-177.2	112.4	0	0	111.5	L212 P220 P304 I305 T382 V383	L212-E222 HydrophobicContact CB-CB 4.17Å; L212-E222 HydrophobicContact CD1-CB 4.21Å; L212-E222 PolarHBondContact N-O 3.27Å; P220-E222 PolarHBondContact O-N 3.16Å; E222-P304 WeakPolarHBondContact OE2-CA 3.43Å; E222-I305 HydrophobicContact CG-CD1 4.11Å; E222-I305 WeakPolarHBondContact OE2-CD1 3.43Å; E222-I305 WeakPolarHBondContact OE2-CG1 3.34Å; E222-I305 PolarHBondContact OE2-N 3.39Å; E222-T382 HydrophobicContact CB-CG2 4.39Å; E222-T382 VanDerWaalsContact OE1-CA 3.3Å; E222-T382 WeakPolarHBondContact OE1-CA 3.48Å; E222-V383 PolarHBondContact OE1-N 3.13Å
223	H	88.8	Confident	86.5	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.056	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.1	-177.4	-55.3	77.6	0	0	0	111.8	V209 Y210 D221 R367 L381	V209-H223 HydrophobicContact CG1-CB 3.42Å; V209-H223 VanDerWaalsContact CG1-CB 3.42Å; Y210-H223 CarbonylContact O-C 3.53Å; Y210-H223 VanDerWaalsContact O-CA 3.23Å; Y210-H223 WeakPolarHBondContact O-CA 3.25Å; D221-H223 PolarHBondContact O-CE1 2.82Å; D221-H223 PolarHBondContact O-ND1 3.07Å; H223-R367 PolarHBondContact CE1-NH1 3.03Å; H223-R367 PolarHBondContact NE2-NH1 2.85Å; H223-L381 HydrophobicContact CB-CD1 4.17Å; H223-L381 VanDerWaalsContact O-CB 3.23Å; H223-L381 WeakPolarHBondContact O-CB 3.29Å
224	V	87.9	Confident	86.7	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155.5	171.3	-62.6	0	0	0	0	111	Y210 L212 D229 P302 T382	Y210-V224 PolarHBondContact N-O 3.37Å; Y210-V224 PolarHBondContact O-N 2.89Å; L212-V224 HydrophobicContact CD1-CG1 3.96Å; L212-V224 HydrophobicContact CD2-CG1 4Å; L212-V224 HydrophobicContact CD2-CG2 4.16Å; L212-V224 HydrophobicContact CG-CG1 4.09Å; V224-D229 HydrophobicContact CB-CB 3.67Å; V224-D229 HydrophobicContact CG1-CB 4Å; V224-D229 HydrophobicContact CG2-CB 3.78Å; V224-P302 HydrophobicContact CG1-CG 3.51Å; V224-T382 HydrophobicContact CG1-CG2 4.37Å
225	Y	81.5	Confident	87	Confident	127 Å²	127	32.6 Å²	32.6	50%	0.498	18%	0.175	S	C	.	.	S	Bend	trans	-94	-11.9	-172.6	-71.2	-68.4	0	0	0	114.6	V209 L381	V209-Y225 HydrophobicContact CG2-CD1 4.27Å; V209-Y225 HydrophobicContact CG2-CE1 4.3Å; Y225-L381 HydrophobicContact CD1-CD1 4.31Å; Y225-L381 HydrophobicContact CD2-CD1 3.73Å; Y225-L381 HydrophobicContact CD2-CG 4.49Å; Y225-L381 HydrophobicContact CE1-CD1 3.8Å; Y225-L381 HydrophobicContact CE2-CD1 3.15Å; Y225-L381 HydrophobicContact CE2-CG 3.64Å; Y225-L381 HydrophobicContact CG-CD1 4.28Å; Y225-L381 WeakPolarHBondContact OH-CD1 3.19Å
226	S	86.6	Confident	87.4	Confident	10 Å²	10	27.8 Å²	27.8	7%	0.07	15%	0.146	C	C	.	.	S	Bend	trans	-122.7	150	179	80.2	0	0	0	0	111.4	Y210 D228 D229 Y230	Y210-S226 WeakPolarHBondContact CD2-O 3.35Å; Y210-S226 VanDerWaalsContact CE2-C 3.49Å; S226-D228 PolarHBondContact O-N 3.39Å; S226-D229 PolarHBondContact O-N 2.82Å; S226-D229 WeakPolarHBondContact OG-CB 2.78Å; S226-D229 PolarHBondContact OG-N 3.26Å; S226-D229 PolarHBondContact OG-OD1 2.81Å; S226-D229 PolarHBondContact OG-OD2 3.37Å; S226-Y230 PolarHBondContact O-N 2.69Å
227	L	89.3	Confident	87.6	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-35	172.9	-178.9	57.5	0	0	0	110.6	P150 L176 I186 L202 Y210 Y230 L231	P150-L227 HydrophobicContact CB-CD2 4.06Å; P150-L227 HydrophobicContact CG-CB 4.09Å; P150-L227 HydrophobicContact CG-CD2 4.02Å; L176-L227 HydrophobicContact CD1-CD2 3.83Å; L176-L227 HydrophobicContact CD1-CG 4.43Å; L176-L227 HydrophobicContact CD2-CD2 4.05Å; I186-L227 HydrophobicContact CB-CD2 4.33Å; I186-L227 HydrophobicContact CG2-CD2 3.89Å; L202-L227 HydrophobicContact CD2-CD1 3.98Å; Y210-L227 HydrophobicContact CD1-CD1 4.31Å; Y210-L227 HydrophobicContact CE1-CB 4.36Å; Y210-L227 HydrophobicContact CE1-CD1 3.75Å; Y210-L227 HydrophobicContact CE2-CB 4.13Å; Y210-L227 VanDerWaalsContact CE2-N 3.3Å; L227-Y230 HydrophobicContact CD1-CD1 4.3Å; L227-Y230 PolarHBondContact O-N 3.05Å; L227-L231 HydrophobicContact CD1-CD1 4.17Å; L227-L231 HydrophobicContact CD1-CD2 4.48Å; L227-L231 HydrophobicContact CD1-CG 4.12Å; L227-L231 HydrophobicContact CG-CD1 3.93Å; L227-L231 HydrophobicContact CG-CG 4.31Å; L227-L231 VanDerWaalsContact O-CG 3.24Å; L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 3.27Å
228	D	90.7	Very high	87.4	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-61.2	-49	178.1	-170.1	41.1	0	0	0	111	C144 E145 L153 Y155 S226 Y230 L231 K232	C144-D228 WeakPolarHBondContact CA-OD2 3.43Å; C144-D228 WeakPolarHBondContact CB-OD2 3.38Å; E145-D228 PolarHBondContact N-OD2 3.29Å; L153-D228 HydrophobicContact CD1-CB 4.08Å; L153-D228 HydrophobicContact CD2-CB 3.79Å; Y155-D228 WeakPolarHBondContact CE1-OD1 3.47Å; Y155-D228 PolarHBondContact OH-OD1 3.23Å; S226-D228 PolarHBondContact O-N 3.39Å; D228-Y230 VanDerWaalsContact C-N 3.26Å; D228-Y230 PolarHBondContact O-N 3.18Å; D228-L231 PolarHBondContact O-N 3.36Å; D228-K232 VanDerWaalsContact O-CB 3.25Å; D228-K232 WeakPolarHBondContact O-CB 3.25Å; D228-K232 WeakPolarHBondContact O-CG 3.29Å; D228-K232 PolarHBondContact O-N 3.45Å; D228-K232 VanDerWaalsContact OD1-CE 3.23Å; D228-K232 WeakPolarHBondContact OD1-CE 3.46Å; D228-K232 WeakPolarHBondContact OD1-CG 3.06Å
229	D	89.2	Confident	87.2	Confident	13 Å²	13	22.2 Å²	22.2	7%	0.07	11%	0.107	C	C	.	.	H	α-helix	trans	-58.4	-40.2	177	-61	-30	0	0	0	112.3	C144 V224 S226 S233 H294 A301	C144-D229 PolarHBondContact SG-OD1 2.94Å; V224-D229 HydrophobicContact CB-CB 3.67Å; V224-D229 HydrophobicContact CG1-CB 4Å; V224-D229 HydrophobicContact CG2-CB 3.78Å; S226-D229 PolarHBondContact O-N 2.82Å; S226-D229 WeakPolarHBondContact OG-CB 2.78Å; S226-D229 PolarHBondContact OG-N 3.26Å; S226-D229 PolarHBondContact OG-OD1 2.81Å; S226-D229 PolarHBondContact OG-OD2 3.37Å; D229-S233 WeakPolarHBondContact O-CB 3.24Å; D229-S233 PolarHBondContact O-N 2.8Å; D229-H294 IonicContact OD1-CE1 3.52Å; D229-H294 PolarHBondContact OD1-CE1 3.33Å; D229-H294 IonicContact OD1-NE2 3.42Å; D229-H294 PolarHBondContact OD1-NE2 2.93Å; D229-H294 IonicContact OD2-CE1 2.69Å; D229-H294 IonicContact OD2-NE2 3.25Å; D229-A301 VanDerWaalsContact O-CB 3.32Å; D229-A301 WeakPolarHBondContact O-CB 3.2Å
230	Y	91.2	Very high	86.9	Confident	43 Å²	43	23 Å²	23	17%	0.169	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-46.4	179.3	175.3	-108.1	0	0	0	111.7	L202 Y210 P211 L212 S226 L227 D228 S234 I241	L202-Y230 HydrophobicContact CD2-CD1 4.33Å; L202-Y230 HydrophobicContact CD2-CE1 4.03Å; Y210-Y230 HydrophobicContact CD1-CD1 4.41Å; Y210-Y230 HydrophobicContact CD1-CG 4.33Å; Y210-Y230 HydrophobicContact CG-CG 4.28Å; P211-Y230 VanDerWaalsContact O-CE2 3.29Å; P211-Y230 WeakPolarHBondContact O-CE2 3.41Å; L212-Y230 HydrophobicContact CD2-CD2 4.3Å; S226-Y230 PolarHBondContact O-N 2.69Å; L227-Y230 HydrophobicContact CD1-CD1 4.3Å; L227-Y230 PolarHBondContact O-N 3.05Å; D228-Y230 VanDerWaalsContact C-N 3.26Å; D228-Y230 PolarHBondContact O-N 3.18Å; Y230-S234 WeakPolarHBondContact O-CB 3.5Å; Y230-S234 PolarHBondContact O-N 2.8Å; Y230-S234 PolarHBondContact O-OG 3.16Å; Y230-I241 HydrophobicContact CD1-CD1 4.49Å; Y230-I241 HydrophobicContact CE1-CD1 3.76Å
231	L	92.8	Very high	86.8	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-69.1	-44.2	179.4	-63.2	175	0	0	0	111.3	Y155 F174 L176 L188 L202 L227 D228 S234 V235 I241 L246	Y155-L231 HydrophobicContact CE2-CD1 4.12Å; F174-L231 HydrophobicContact CE2-CD1 4.41Å; L176-L231 HydrophobicContact CD1-CD1 4.17Å; L176-L231 HydrophobicContact CD2-CD1 3.89Å; L176-L231 HydrophobicContact CG-CD1 4.34Å; L188-L231 HydrophobicContact CD1-CD1 4.47Å; L188-L231 HydrophobicContact CD1-CD2 4.43Å; L188-L231 HydrophobicContact CD2-CD2 3.68Å; L202-L231 HydrophobicContact CD2-CD2 3.72Å; L227-L231 HydrophobicContact CD1-CD1 4.17Å; L227-L231 HydrophobicContact CD1-CD2 4.48Å; L227-L231 HydrophobicContact CD1-CG 4.12Å; L227-L231 HydrophobicContact CG-CD1 3.93Å; L227-L231 HydrophobicContact CG-CG 4.31Å; L227-L231 VanDerWaalsContact O-CG 3.24Å; L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 3.27Å; D228-L231 PolarHBondContact O-N 3.36Å; L231-S234 CarbonylContact O-C 3.59Å; L231-S234 WeakPolarHBondContact O-CB 3.48Å; L231-S234 PolarHBondContact O-N 3.16Å; L231-S234 VanDerWaalsContact O-N 3.16Å; L231-V235 WeakPolarHBondContact O-CG2 2.93Å; L231-V235 PolarHBondContact O-N 3.05Å; L231-I241 HydrophobicContact CD2-CD1 3.92Å; L231-L246 HydrophobicContact CB-CD1 4.24Å; L231-L246 HydrophobicContact CD2-CD1 3.65Å
232	K	90.4	Very high	86.6	Confident	1 Å²	1	24 Å²	24	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-66.9	-37.4	178.3	-65.4	-67.2	178.2	173.1	0	112	S140 S141 R143 D228 S234 V235 L236 A301	S140-K232 PolarHBondContact O-NZ 3.42Å; S141-K232 VanDerWaalsContact O-CD 3.26Å; S141-K232 WeakPolarHBondContact O-CD 3.19Å; S141-K232 PolarHBondContact O-NZ 2.83Å; R143-K232 WeakPolarHBondContact O-CD 3.07Å; R143-K232 WeakPolarHBondContact O-CE 3.45Å; R143-K232 PolarHBondContact O-NZ 2.86Å; D228-K232 VanDerWaalsContact O-CB 3.25Å; D228-K232 WeakPolarHBondContact O-CB 3.25Å; D228-K232 WeakPolarHBondContact O-CG 3.29Å; D228-K232 PolarHBondContact O-N 3.45Å; D228-K232 VanDerWaalsContact OD1-CE 3.23Å; D228-K232 WeakPolarHBondContact OD1-CE 3.46Å; D228-K232 WeakPolarHBondContact OD1-CG 3.06Å; K232-S234 VanDerWaalsContact C-N 3.28Å; K232-S234 PolarHBondContact O-N 3.41Å; K232-V235 PolarHBondContact O-N 2.78Å; K232-L236 WeakPolarHBondContact O-CB 3.4Å; K232-L236 PolarHBondContact O-N 2.64Å; K232-A301 HydrophobicContact CB-CB 3.61Å
233	S	89.4	Confident	86	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-41	171.5	-174.6	0	0	0	0	110.4	D229 L236 C237 P302	D229-S233 WeakPolarHBondContact O-CB 3.24Å; D229-S233 PolarHBondContact O-N 2.8Å; S233-L236 PolarHBondContact O-N 2.88Å; S233-C237 VanDerWaalsContact O-CB 3.29Å; S233-C237 WeakPolarHBondContact O-CB 3.48Å; S233-C237 PolarHBondContact O-N 2.71Å; S233-P302 VanDerWaalsContact CB-O 3.31Å; S233-P302 WeakPolarHBondContact CB-O 3.2Å; S233-P302 PolarHBondContact OG-O 2.97Å
234	S	89	Confident	85.8	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-67	-42.1	176.4	-58.5	0	0	0	0	112.8	Y230 L231 K232 Q238 H239	Y230-S234 WeakPolarHBondContact O-CB 3.5Å; Y230-S234 PolarHBondContact O-N 2.8Å; Y230-S234 PolarHBondContact O-OG 3.16Å; L231-S234 CarbonylContact O-C 3.59Å; L231-S234 WeakPolarHBondContact O-CB 3.48Å; L231-S234 PolarHBondContact O-N 3.16Å; L231-S234 VanDerWaalsContact O-N 3.16Å; K232-S234 VanDerWaalsContact C-N 3.28Å; K232-S234 PolarHBondContact O-N 3.41Å; S234-Q238 CarbonylContact O-C 3.6Å; S234-Q238 VanDerWaalsContact O-CA 3.25Å; S234-Q238 WeakPolarHBondContact O-CA 3.28Å; S234-Q238 PolarHBondContact O-N 3.27Å; S234-H239 PolarHBondContact O-N 3.28Å
235	V	89.3	Confident	85.6	Confident	14 Å²	14	23.8 Å²	23.8	9%	0.085	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-50.5	172.1	173.1	0	0	0	0	109.8	S141 I142 F174 L231 K232 Q238 L246 K247	S141-V235 WeakPolarHBondContact O-CG1 3.32Å; I142-V235 HydrophobicContact CG2-CG1 4.34Å; F174-V235 HydrophobicContact CE1-CG2 3.69Å; F174-V235 HydrophobicContact CZ-CG2 3.98Å; L231-V235 WeakPolarHBondContact O-CG2 2.93Å; L231-V235 PolarHBondContact O-N 3.05Å; K232-V235 PolarHBondContact O-N 2.78Å; V235-Q238 PolarHBondContact O-N 2.97Å; V235-L246 HydrophobicContact CG2-CB 3.48Å; V235-L246 VanDerWaalsContact CG2-CB 3.48Å; V235-K247 WeakPolarHBondContact CG1-O 3.44Å
236	L	83	Confident	86.1	Confident	6 Å²	6	17.9 Å²	17.9	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-58.4	-57.8	-175.1	-174.8	66.1	0	0	0	110.4	V5 G6 P7 I142 K232 S233 Q238 A301 R303	V5-L236 VanDerWaalsContact C-CD1 3.48Å; V5-L236 HydrophobicContact CB-CD1 4.19Å; V5-L236 HydrophobicContact CG1-CD1 3.46Å; V5-L236 VanDerWaalsContact CG1-CD1 3.46Å; V5-L236 HydrophobicContact CG1-CD2 3.66Å; V5-L236 HydrophobicContact CG1-CG 4.19Å; G6-L236 VanDerWaalsContact CA-CD1 3.46Å; G6-L236 VanDerWaalsContact N-CD1 3.35Å; P7-L236 WeakPolarHBondContact CD-O 3.38Å; I142-L236 HydrophobicContact CB-CD1 4.04Å; I142-L236 HydrophobicContact CG2-CD1 3.98Å; K232-L236 WeakPolarHBondContact O-CB 3.4Å; K232-L236 PolarHBondContact O-N 2.64Å; S233-L236 PolarHBondContact O-N 2.88Å; L236-Q238 PolarHBondContact O-N 3.38Å; L236-A301 VanDerWaalsContact CD2-O 3.3Å; L236-A301 WeakPolarHBondContact CD2-O 3.34Å; L236-R303 HydrophobicContact CD2-CG 3.7Å; L236-R303 HydrophobicContact CG-CG 4.43Å
237	C	81.3	Confident	86.1	Confident	9 Å²	9	19.7 Å²	19.7	6%	0.061	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	4.7	-178.7	-61.5	0	0	0	0	113.6	F213 S233 H239 S307	F213-C237 HydrophobicContact CE1-CB 3.83Å; F213-C237 HydrophobicContact CZ-CB 3.99Å; S233-C237 VanDerWaalsContact O-CB 3.29Å; S233-C237 WeakPolarHBondContact O-CB 3.48Å; S233-C237 PolarHBondContact O-N 2.71Å; C237-H239 PolarHBondContact O-N 2.74Å; C237-S307 VanDerWaalsContact SG-CB 3.59Å
238	Q	80.1	Confident	86	Confident	42 Å²	42	22.8 Å²	22.8	20%	0.196	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	42.7	-177.5	-55.9	169.2	-8	0	0	110.7	S234 V235 L236 L245 L520 Q522 R533	S234-Q238 CarbonylContact O-C 3.6Å; S234-Q238 VanDerWaalsContact O-CA 3.25Å; S234-Q238 WeakPolarHBondContact O-CA 3.28Å; S234-Q238 PolarHBondContact O-N 3.27Å; V235-Q238 PolarHBondContact O-N 2.97Å; L236-Q238 PolarHBondContact O-N 3.38Å; Q238-L245 VanDerWaalsContact C-CD2 3.49Å; Q238-L245 HydrophobicContact CB-CD2 4.03Å; Q238-L245 VanDerWaalsContact O-CD2 3.24Å; Q238-L245 WeakPolarHBondContact O-CD2 3.36Å; Q238-L520 PolarHBondContact NE2-O 3.42Å; Q238-Q522 HydrophobicContact CB-CG 4.07Å; Q238-Q522 HydrophobicContact CG-CG 3.94Å; Q238-R533 PolarHBondContact O-NH1 2.68Å; Q238-R533 PolarHBondContact O-NH2 3.08Å
239	H	81.2	Confident	86.2	Confident	51 Å²	51	22.8 Å²	22.8	24%	0.236	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-87	131.6	179.3	-169.2	72.7	0	0	0	110.8	F213 S234 C237	F213-H239 WeakPolarHBondContact CB-CE1 3.49Å; F213-H239 WeakPolarHBondContact CB-NE2 3.33Å; F213-H239 HydrophobicContact CD1-CB 3.6Å; F213-H239 AromaticContact CD1-CD2 3.7Å; F213-H239 AromaticContact CD1-CE1 3.88Å; F213-H239 AromaticContact CD1-CG 3.25Å; F213-H239 AromaticContact CD1-ND1 3.38Å; F213-H239 WeakPolarHBondContact CD1-ND1 3.49Å; F213-H239 AromaticContact CD2-CE1 3.64Å; F213-H239 AromaticContact CD2-ND1 3.43Å; F213-H239 WeakPolarHBondContact CD2-ND1 3.45Å; F213-H239 HydrophobicContact CE1-CB 3.39Å; F213-H239 AromaticContact CE1-CG 3.53Å; F213-H239 AromaticContact CE1-ND1 3.64Å; F213-H239 AromaticContact CE2-ND1 3.67Å; F213-H239 HydrophobicContact CG-CB 4.38Å; F213-H239 AromaticContact CG-CD2 3.88Å; F213-H239 AromaticContact CG-CE1 3.35Å; F213-H239 WeakPolarHBondContact CG-CE1 3.49Å; F213-H239 AromaticContact CG-CG 3.59Å; F213-H239 AromaticContact CG-ND1 3.24Å; F213-H239 WeakPolarHBondContact CG-ND1 3.41Å; F213-H239 AromaticContact CG-NE2 3.74Å; F213-H239 HydrophobicContact CZ-CB 4.01Å; F213-H239 AromaticContact CZ-ND1 3.73Å; S234-H239 PolarHBondContact O-N 3.28Å; C237-H239 PolarHBondContact O-N 2.74Å
240	P	80.6	Confident	86.4	Confident	21 Å²	21	22.6 Å²	22.6	14%	0.136	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.2	-178.2	29.7	-19.1	0	0	0	109.6	V244 R533	P240-V244 CarbonylContact C-O 3.59Å; P240-V244 VanDerWaalsContact CA-O 3.25Å; P240-V244 WeakPolarHBondContact CA-O 3.47Å; P240-R533 VanDerWaalsContact CD-NH2 3.33Å
241	I	84.7	Confident	86.3	Confident	6 Å²	6	21.9 Å²	21.9	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117	171.8	-56.3	175.9	0	0	0	107.1	M199 L202 Y230 L231 G243 V244 L246	M199-I241 HydrophobicContact SD-CB 4.25Å; M199-I241 HydrophobicContact SD-CG2 3.63Å; L202-I241 HydrophobicContact CD1-CG2 4.18Å; Y230-I241 HydrophobicContact CD1-CD1 4.49Å; Y230-I241 HydrophobicContact CE1-CD1 3.76Å; L231-I241 HydrophobicContact CD2-CD1 3.92Å; I241-G243 PolarHBondContact O-N 3.3Å; I241-G243 VanDerWaalsContact O-N 3.15Å; I241-V244 PolarHBondContact N-O 3.19Å; I241-V244 PolarHBondContact O-N 3.17Å; I241-L246 HydrophobicContact CD1-CD1 3.78Å; I241-L246 HydrophobicContact CD1-CG 4.4Å
242	N	81.3	Confident	85.5	Confident	130 Å²	130	26.7 Å²	26.7	70%	0.695	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	39.9	-176.4	-69	-26.8	0	0	0	113.8	M199 V244	M199-N242 HydrophobicContact SD-CB 4.04Å; N242-V244 VanDerWaalsContact C-N 3.34Å
243	G	77.9	Confident	83.9	Confident	15 Å²	15	29.5 Å²	29.5	16%	0.155	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	13.6	179.1	0	0	0	0	0	114.9	I241	I241-G243 PolarHBondContact O-N 3.3Å; I241-G243 VanDerWaalsContact O-N 3.15Å
244	V	84.2	Confident	82	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.3	175.9	-177.4	0	0	0	0	110.6	V190 W192 K197 P240 I241 N242	V190-V244 HydrophobicContact CB-CG1 4.27Å; V190-V244 HydrophobicContact CG1-CB 4.2Å; V190-V244 HydrophobicContact CG1-CG1 3.33Å; V190-V244 HydrophobicContact CG1-CG2 4.27Å; V190-V244 HydrophobicContact CG2-CG1 3.97Å; W192-V244 HydrophobicContact CB-CG1 4.26Å; W192-V244 HydrophobicContact CD2-CB 4.21Å; W192-V244 HydrophobicContact CD2-CG1 3.55Å; W192-V244 HydrophobicContact CD2-CG2 4.2Å; W192-V244 HydrophobicContact CE3-CB 4.41Å; W192-V244 HydrophobicContact CE3-CG1 3.42Å; W192-V244 VanDerWaalsContact CE3-CG1 3.42Å; W192-V244 HydrophobicContact CG-CG1 3.95Å; W192-V244 HydrophobicContact CG-CG2 4.07Å; W192-V244 HydrophobicContact CZ3-CG1 3.95Å; K197-V244 HydrophobicContact CD-CG2 3.72Å; P240-V244 CarbonylContact C-O 3.59Å; P240-V244 VanDerWaalsContact CA-O 3.25Å; P240-V244 WeakPolarHBondContact CA-O 3.47Å; I241-V244 PolarHBondContact N-O 3.19Å; I241-V244 PolarHBondContact O-N 3.17Å; N242-V244 VanDerWaalsContact C-N 3.34Å
245	L	85.1	Confident	79.6	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.2	171	-85.2	159.7	0	0	0	110.6	G172 W192 Q238 W476 F531	G172-L245 WeakPolarHBondContact CA-O 3.25Å; W192-L245 HydrophobicContact CH2-CB 3.67Å; W192-L245 HydrophobicContact CH2-CD1 4.3Å; W192-L245 HydrophobicContact CH2-CG 4.3Å; W192-L245 HydrophobicContact CZ3-CB 3.69Å; W192-L245 VanDerWaalsContact CZ3-N 3.28Å; W192-L245 WeakPolarHBondContact CZ3-O 3.37Å; Q238-L245 VanDerWaalsContact C-CD2 3.49Å; Q238-L245 HydrophobicContact CB-CD2 4.03Å; Q238-L245 VanDerWaalsContact O-CD2 3.24Å; Q238-L245 WeakPolarHBondContact O-CD2 3.36Å; L245-W476 HydrophobicContact CD1-CH2 3.85Å; L245-W476 HydrophobicContact CD1-CZ2 4.21Å; L245-W476 HydrophobicContact CG-CH2 4.37Å; L245-F531 HydrophobicContact CD1-CB 4.02Å; L245-F531 HydrophobicContact CD1-CD1 3.42Å; L245-F531 VanDerWaalsContact CD1-CD1 3.42Å; L245-F531 HydrophobicContact CD1-CD2 3.87Å; L245-F531 HydrophobicContact CD1-CE1 3.72Å; L245-F531 HydrophobicContact CD1-CE2 4.19Å; L245-F531 HydrophobicContact CD1-CG 3.48Å; L245-F531 VanDerWaalsContact CD1-CG 3.48Å; L245-F531 HydrophobicContact CD1-CZ 4.09Å
246	L	90.2	Very high	76.8	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.016	22%	0.218	C	C	.	.			trans	-84.2	139.3	168.5	-55.9	-173.3	0	0	0	109.5	F174 L188 V190 L231 V235 I241	F174-L246 HydrophobicContact CB-CD2 4.12Å; F174-L246 HydrophobicContact CD1-CB 3.97Å; F174-L246 HydrophobicContact CD1-CD2 4.16Å; F174-L246 HydrophobicContact CD1-CG 4.47Å; F174-L246 HydrophobicContact CE1-CB 3.97Å; F174-L246 HydrophobicContact CG-CD2 4.17Å; L188-L246 HydrophobicContact CD2-CD1 4.14Å; L188-L246 HydrophobicContact CD2-CD2 4.2Å; V190-L246 HydrophobicContact CB-CD2 4.33Å; V190-L246 HydrophobicContact CG2-CD2 3.39Å; L231-L246 HydrophobicContact CB-CD1 4.24Å; L231-L246 HydrophobicContact CD2-CD1 3.65Å; V235-L246 HydrophobicContact CG2-CB 3.48Å; V235-L246 VanDerWaalsContact CG2-CB 3.48Å; I241-L246 HydrophobicContact CD1-CD1 3.78Å; I241-L246 HydrophobicContact CD1-CG 4.4Å
247	K	86.9	Confident	74.4	Confident	47 Å²	47	50.8 Å²	50.8	20%	0.204	26%	0.259	C	S	.	.			trans	-124.9	-53.6	177	-70.1	-165.8	175.2	-166.4	0	112.5	S141 G172 V235 Q522	S141-K247 WeakPolarHBondContact CB-O 3.44Å; G172-K247 PolarHBondContact O-N 3.25Å; V235-K247 WeakPolarHBondContact CG1-O 3.44Å; K247-Q522 VanDerWaalsContact CE-O 3.26Å; K247-Q522 WeakPolarHBondContact CE-O 3.2Å; K247-Q522 PolarHBondContact NZ-O 3.02Å
248	K	88.7	Confident	71.9	Confident	67 Å²	67	55 Å²	55	29%	0.291	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	124.8	-169.5	-176	-179.2	176.8	-174.5	0	111.6	G172 D173 F174 I250	G172-K248 PolarHBondContact O-N 3.07Å; G172-K248 VanDerWaalsContact O-N 3.14Å; D173-K248 CarbonylContact C-O 3.56Å; D173-K248 VanDerWaalsContact CA-O 3.26Å; D173-K248 WeakPolarHBondContact CA-O 3.17Å; F174-K248 VanDerWaalsContact CD1-C 3.4Å; F174-K248 WeakPolarHBondContact CD1-O 3.05Å; F174-K248 PolarHBondContact N-O 2.67Å; K248-I250 HydrophobicContact CD-CD1 4.45Å
249	P	93.5	Very high	69.4	Low	1 Å²	1	56.7 Å²	56.7	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	142.4	168.2	33.3	-37.5	0	0	0	110.2	Y155 F174 F251	Y155-P249 HydrophobicContact CD1-CB 3.96Å; Y155-P249 HydrophobicContact CD2-CB 4.13Å; Y155-P249 HydrophobicContact CG-CB 3.69Å; F174-P249 HydrophobicContact CD2-CB 4.44Å; F174-P249 HydrophobicContact CE1-CB 4.22Å; F174-P249 VanDerWaalsContact CE1-N 3.3Å; F174-P249 HydrophobicContact CE2-CB 3.87Å; F174-P249 HydrophobicContact CZ-CB 3.75Å; F174-P249 HydrophobicContact CZ-CG 4.29Å; F174-P249 CarbonylContact O-C 3.6Å; F174-P249 WeakPolarHBondContact O-CA 3.5Å; P249-F251 HydrophobicContact CB-CE1 3.86Å; P249-F251 HydrophobicContact CB-CZ 4.32Å; P249-F251 HydrophobicContact CG-CE1 3.7Å; P249-F251 HydrophobicContact CG-CZ 3.64Å
250	I	92.7	Very high	67	Low	9 Å²	9	59.3 Å²	59.3	5%	0.046	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-100	120	172.5	-52.8	-57.4	0	0	0	109.9	Y155 H157 I167 L168 D173 F174 I175 K248	Y155-I250 WeakPolarHBondContact CA-O 3.26Å; Y155-I250 VanDerWaalsContact CB-O 3.29Å; Y155-I250 WeakPolarHBondContact CB-O 3.11Å; H157-I250 PolarHBondContact NE2-O 3.49Å; I167-I250 HydrophobicContact CG2-CB 4.16Å; I167-I250 HydrophobicContact CG2-CG2 3.43Å; I167-I250 VanDerWaalsContact CG2-CG2 3.43Å; L168-I250 HydrophobicContact CD2-CG1 3.86Å; D173-I250 HydrophobicContact CB-CD1 3.95Å; D173-I250 HydrophobicContact CB-CG1 3.97Å; F174-I250 PolarHBondContact O-N 2.72Å; I175-I250 HydrophobicContact CG2-CB 3.83Å; K248-I250 HydrophobicContact CD-CD1 4.45Å
251	F	89.5	Confident	64.4	Low	28 Å²	28	67 Å²	67	12%	0.123	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-90.4	155	-179.1	-53.9	-46.1	0	0	0	112	R154 Y155 P249 A253 T254	R154-F251 HydrophobicContact CB-CB 4.43Å; R154-F251 HydrophobicContact CB-CD1 3.73Å; R154-F251 HydrophobicContact CB-CE1 4.34Å; R154-F251 HydrophobicContact CB-CG 4.25Å; R154-F251 WeakPolarHBondContact O-CA 3.3Å; Y155-F251 HydrophobicContact CD1-CD1 4.32Å; Y155-F251 AromaticContact CD1-CE1 3.85Å; Y155-F251 HydrophobicContact CD1-CE1 3.85Å; Y155-F251 HydrophobicContact CG-CE1 4.37Å; P249-F251 HydrophobicContact CB-CE1 3.86Å; P249-F251 HydrophobicContact CB-CZ 4.32Å; P249-F251 HydrophobicContact CG-CE1 3.7Å; P249-F251 HydrophobicContact CG-CZ 3.64Å; F251-A253 PolarHBondContact O-N 2.79Å; F251-T254 PolarHBondContact O-N 3.12Å; F251-T254 PolarHBondContact O-OG1 2.66Å
252	H	76.7	Confident	61.7	Low	101 Å²	101	74 Å²	74	47%	0.468	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-52.9	-28.2	-177.8	-88.1	-55.5	0	0	0	116.2	R154 F156 H157 T255	R154-H252 PolarHBondContact O-N 2.98Å; F156-H252 PolarHBondContact O-CD2 2.91Å; F156-H252 PolarHBondContact O-NE2 3.26Å; H157-H252 AromaticContact CE1-CE1 3.96Å; H157-H252 AromaticContact CE1-ND1 3.49Å; H157-H252 PolarHBondContact CE1-ND1 3.04Å; H157-H252 AromaticContact CG-CE1 3.65Å; H157-H252 AromaticContact CG-ND1 3.95Å; H157-H252 AromaticContact ND1-CE1 3.37Å; H157-H252 PolarHBondContact ND1-CE1 3.48Å; H157-H252 AromaticContact ND1-ND1 3.26Å; H157-H252 PolarHBondContact ND1-ND1 3.32Å; H252-T255 PolarHBondContact O-OG1 2.7Å; H252-T255 VanDerWaalsContact O-OG1 3.14Å
253	A	55.8	Low	59.2	Low	60 Å²	60	75.7 Å²	75.7	50%	0.496	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-78.4	-15.9	-179.6	0	0	0	0	0	114.2	F251 T255 D270	F251-A253 PolarHBondContact O-N 2.79Å; A253-T255 VanDerWaalsContact C-N 3.31Å; A253-T255 PolarHBondContact O-N 3.17Å; A253-D270 WeakPolarHBondContact CB-OD2 3.08Å
254	T	49.9	Very low	56.7	Low	68 Å²	68	78.3 Å²	78.3	42%	0.417	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-81.3	-8.2	-171	-29.9	0	0	0	0	113.6	F251 N256	F251-T254 PolarHBondContact O-N 3.12Å; F251-T254 PolarHBondContact O-OG1 2.66Å; T254-N256 VanDerWaalsContact C-N 3.29Å; T254-N256 PolarHBondContact O-N 2.91Å
255	T	39.9	Very low	53.9	Low	60 Å²	60	86.7 Å²	86.7	37%	0.368	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-75.4	-7.1	-173.8	43.9	0	0	0	0	115.3	I167 H252 A253	I167-T255 HydrophobicContact CB-CG2 4.37Å; I167-T255 HydrophobicContact CD1-CG2 3.69Å; I167-T255 HydrophobicContact CG1-CG2 3.7Å; I167-T255 HydrophobicContact CG2-CG2 3.85Å; H252-T255 PolarHBondContact O-OG1 2.7Å; H252-T255 VanDerWaalsContact O-OG1 3.14Å; A253-T255 VanDerWaalsContact C-N 3.31Å; A253-T255 PolarHBondContact O-N 3.17Å
256	N	29.1	Very low	51.1	Low	107 Å²	107	91.4 Å²	91.4	57%	0.572	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-102.8	30	-173.4	-108.6	2.3	0	0	0	115.4	T254 I260	T254-N256 VanDerWaalsContact C-N 3.29Å; T254-N256 PolarHBondContact O-N 2.91Å; N256-I260 HydrophobicContact CB-CD1 4.28Å
257	R	33.2	Very low	48.1	Very low	237 Å²	237	99 Å²	99	89%	0.894	54%	0.536	S	S	*	.	S	Bend	trans	-96	-11.2	176.1	-80.8	-170.6	177.6	-175.3	0.3	115.4
258	S	28.9	Very low	45.5	Very low	97 Å²	97	104 Å²	104	68%	0.678	56%	0.559	S	S	*	*	S	Bend	trans	-105.2	-1.4	-178	39	0	0	0	0	115.2
259	A	26.8	Very low	42.7	Very low	78 Å²	78	107.5 Å²	107.5	65%	0.645	58%	0.581	S	S	*	*			trans	-153.7	75	179.9	0	0	0	0	0	113
260	I	31.6	Very low	39.9	Very low	106 Å²	106	112.9 Å²	112.9	54%	0.544	61%	0.61	S	S	.	*			trans	-132.6	105.3	161.9	-62.1	-177.8	0	0	0	108.7	N256	N256-I260 HydrophobicContact CB-CD1 4.28Å
261	E	26.9	Very low	37.2	Very low	182 Å²	182	114.2 Å²	114.2	85%	0.85	63%	0.626	S	S	*	*			trans	-55.8	145	160.6	-65.7	177.8	150.8	0	0	110.1	N263	E261-N263 PolarHBondContact O-N 3.43Å
262	D	27.5	Very low	34.6	Very low	152 Å²	152	115.9 Å²	115.9	81%	0.813	64%	0.638	S	S	*	*	S	Bend	trans	-38.5	128.5	174.3	-67.5	-48.3	0	0	0	112.6
263	N	27.8	Very low	32.9	Very low	167 Å²	167	114.3 Å²	114.3	89%	0.893	63%	0.633	S	S	*	*			trans	107.2	42	168.8	-52.7	-60	0	0	0	119.3	E261	E261-N263 PolarHBondContact O-N 3.43Å
264	A	26.1	Very low	32.3	Very low	69 Å²	69	113.2 Å²	113.2	57%	0.57	62%	0.619	S	S	*	*			trans	-128.5	122.5	151.9	0	0	0	0	0	109.9
265	Q	24.8	Very low	32.1	Very low	179 Å²	179	110.8 Å²	110.8	84%	0.836	60%	0.604	S	S	*	*			trans	-56.1	130.3	167.3	-73.7	-174.7	-94	0	0	107.7	D267	Q265-D267 PolarHBondContact O-N 2.64Å
266	P	27.5	Very low	32.3	Very low	101 Å²	101	112.9 Å²	112.9	66%	0.656	61%	0.609	S	S	*	*			trans	-61	127.3	177.3	26.9	-32.6	0	0	0	107.6	E268	P266-E268 WeakPolarHBondContact O-CG 3.46Å; P266-E268 PolarHBondContact O-N 2.75Å
267	D	27	Very low	33	Very low	164 Å²	164	111.2 Å²	111.2	88%	0.877	60%	0.598	S	S	*	*			trans	-55.7	104.9	170.9	-100.6	-35.9	0	0	0	108	Q265 N269	Q265-D267 PolarHBondContact O-N 2.64Å; D267-N269 PolarHBondContact O-N 3.05Å
268	E	31	Very low	33.7	Very low	150 Å²	150	102 Å²	102	70%	0.701	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	17	-172.3	-67.2	-173.7	144.6	0	0	113.6	P266 T272	P266-E268 WeakPolarHBondContact O-CG 3.46Å; P266-E268 PolarHBondContact O-N 2.75Å; E268-T272 WeakPolarHBondContact O-CG2 3.28Å
269	N	31.5	Very low	34.4	Very low	141 Å²	141	98.5 Å²	98.5	75%	0.754	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	3.1	-161.9	-132	15.7	0	0	0	115.9	D267	D267-N269 PolarHBondContact O-N 3.05Å
270	D	33.9	Very low	35.4	Very low	115 Å²	115	99 Å²	99	62%	0.615	53%	0.529	S	S	*	.	S	Bend	trans	-120.4	15.4	178.5	-155.2	24	0	0	0	113.9	A253	A253-D270 WeakPolarHBondContact CB-OD2 3.08Å
271	G	35.4	Very low	36.2	Very low	36 Å²	36	95.7 Å²	95.7	37%	0.371	51%	0.514	S	S	.	.	S	Bend	trans	-127.4	-2.2	178	0	0	0	0	0	115.2
272	T	36.1	Very low	36.9	Very low	63 Å²	63	87.9 Å²	87.9	39%	0.387	48%	0.48	S	S	.	.			trans	-95.5	0.3	-161.2	31.1	0	0	0	0	115.9	E268 N274	E268-T272 WeakPolarHBondContact O-CG2 3.28Å; T272-N274 PolarHBondContact O-N 2.76Å
273	L	40.2	Very low	37.7	Very low	69 Å²	69	83.9 Å²	83.9	36%	0.361	46%	0.462	S	S	.	.			trans	-78.3	112.8	178.7	-68.3	162.2	0	0	0	109.8	E277 L278 T281	L273-E277 WeakPolarHBondContact CA-OE2 3.11Å; L273-E277 HydrophobicContact CB-CB 4.12Å; L273-E277 HydrophobicContact CD2-CB 3.46Å; L273-E277 VanDerWaalsContact CD2-CB 3.46Å; L273-E277 HydrophobicContact CD2-CG 4.47Å; L273-E277 HydrophobicContact CG-CB 4.42Å; L273-L278 HydrophobicContact CB-CD2 3.84Å; L273-L278 HydrophobicContact CB-CG 3.69Å; L273-L278 HydrophobicContact CD1-CD2 4.03Å; L273-T281 HydrophobicContact CD1-CG2 4.46Å; L273-T281 WeakPolarHBondContact CD2-OG1 3.46Å
274	N	43.5	Very low	38.5	Very low	37 Å²	37	82.3 Å²	82.3	20%	0.198	45%	0.449	C	S	.	.			trans	-61.8	163.6	167.9	79.8	43.1	0	0	0	109.5	Q47 T272 H276 E277 L278	Q47-N274 WeakPolarHBondContact O-CB 3.43Å; T272-N274 PolarHBondContact O-N 2.76Å; N274-H276 PolarHBondContact O-N 2.66Å; N274-H276 VanDerWaalsContact O-N 3.14Å; N274-H276 WeakPolarHBondContact OD1-CA 3.43Å; N274-H276 WeakPolarHBondContact OD1-CB 3.24Å; N274-H276 PolarHBondContact OD1-N 3Å; N274-E277 PolarHBondContact N-OE2 3.08Å; N274-E277 CarbonylContact O-C 3.55Å; N274-E277 WeakPolarHBondContact O-CA 3.39Å; N274-E277 PolarHBondContact O-N 3.4Å; N274-E277 PolarHBondContact OD1-N 3.05Å; N274-L278 PolarHBondContact O-N 3.4Å
275	T	45	Very low	39.3	Very low	17 Å²	17	82.6 Å²	82.6	10%	0.104	44%	0.438	C	S	.	.	H	α-helix	trans	-58.9	-30.2	-177.1	42.6	0	0	0	0	113.8	V133 L139 N279	V133-T275 HydrophobicContact CG1-CG2 3.7Å; L139-T275 HydrophobicContact CD1-CG2 4.31Å; T275-N279 WeakPolarHBondContact O-CB 3.14Å; T275-N279 PolarHBondContact O-N 3.46Å; T275-N279 PolarHBondContact O-ND2 3.26Å; T275-N279 PolarHBondContact O-OD1 2.96Å
276	H	44.4	Very low	40	Very low	103 Å²	103	74.2 Å²	74.2	48%	0.477	40%	0.4	S	S	.	.	H	α-helix	trans	-69.5	-39.1	172.1	-160.8	-77.8	0	0	0	112	N274 N279 E280	N274-H276 PolarHBondContact O-N 2.66Å; N274-H276 VanDerWaalsContact O-N 3.14Å; N274-H276 WeakPolarHBondContact OD1-CA 3.43Å; N274-H276 WeakPolarHBondContact OD1-CB 3.24Å; N274-H276 PolarHBondContact OD1-N 3Å; H276-N279 CarbonylContact O-C 3.54Å; H276-N279 WeakPolarHBondContact O-CB 3.19Å; H276-N279 PolarHBondContact O-N 2.82Å; H276-E280 IonicContact CE1-OE1 3.79Å; H276-E280 PolarHBondContact CE1-OE1 3.22Å; H276-E280 VanDerWaalsContact CE1-OE1 3.25Å; H276-E280 IonicContact ND1-OE1 3.19Å; H276-E280 PolarHBondContact ND1-OE1 3.1Å; H276-E280 WeakPolarHBondContact O-CB 3.28Å; H276-E280 WeakPolarHBondContact O-CG 3.36Å; H276-E280 PolarHBondContact O-N 3.25Å
277	E	44.5	Very low	40.4	Very low	73 Å²	73	73.3 Å²	73.3	34%	0.341	40%	0.4	S	S	.	.	H	α-helix	trans	-75.8	-32	175.9	-64.7	170.6	153.3	0	0	112.2	L273 N274 N279 E280 T281	L273-E277 WeakPolarHBondContact CA-OE2 3.11Å; L273-E277 HydrophobicContact CB-CB 4.12Å; L273-E277 HydrophobicContact CD2-CB 3.46Å; L273-E277 VanDerWaalsContact CD2-CB 3.46Å; L273-E277 HydrophobicContact CD2-CG 4.47Å; L273-E277 HydrophobicContact CG-CB 4.42Å; N274-E277 PolarHBondContact N-OE2 3.08Å; N274-E277 CarbonylContact O-C 3.55Å; N274-E277 WeakPolarHBondContact O-CA 3.39Å; N274-E277 PolarHBondContact O-N 3.4Å; N274-E277 PolarHBondContact OD1-N 3.05Å; E277-N279 VanDerWaalsContact C-N 3.3Å; E277-E280 PolarHBondContact O-N 2.77Å; E277-T281 WeakPolarHBondContact O-CB 3.43Å; E277-T281 PolarHBondContact O-N 3.08Å; E277-T281 PolarHBondContact O-OG1 3.28Å
278	L	48	Very low	40.9	Very low	43 Å²	43	71 Å²	71	23%	0.225	39%	0.393	C	S	.	.	H	α-helix	trans	-63.1	-40.1	167.5	-77.5	168.4	0	0	0	110.6	P136 L273 N274 A282	P136-L278 HydrophobicContact CB-CD1 3.97Å; P136-L278 HydrophobicContact CG-CD1 3.95Å; L273-L278 HydrophobicContact CB-CD2 3.84Å; L273-L278 HydrophobicContact CB-CG 3.69Å; L273-L278 HydrophobicContact CD1-CD2 4.03Å; N274-L278 PolarHBondContact O-N 3.4Å; L278-A282 WeakPolarHBondContact O-CB 3.41Å; L278-A282 PolarHBondContact O-N 2.82Å
279	N	44	Very low	41.1	Very low	23 Å²	23	66.1 Å²	66.1	12%	0.123	38%	0.375	C	S	.	.	H	α-helix	trans	-63.9	-49	171.4	-70.2	-19.1	0	0	0	110.3	R143 T275 H276 E277 T281 A282 V283	R143-N279 PolarHBondContact NH1-OD1 3.14Å; R143-N279 PolarHBondContact NH2-OD1 2.95Å; T275-N279 WeakPolarHBondContact O-CB 3.14Å; T275-N279 PolarHBondContact O-N 3.46Å; T275-N279 PolarHBondContact O-ND2 3.26Å; T275-N279 PolarHBondContact O-OD1 2.96Å; H276-N279 CarbonylContact O-C 3.54Å; H276-N279 WeakPolarHBondContact O-CB 3.19Å; H276-N279 PolarHBondContact O-N 2.82Å; E277-N279 VanDerWaalsContact C-N 3.3Å; N279-T281 PolarHBondContact O-N 2.84Å; N279-A282 PolarHBondContact O-N 2.94Å; N279-V283 WeakPolarHBondContact O-CB 3.26Å; N279-V283 WeakPolarHBondContact O-CG2 3.28Å; N279-V283 PolarHBondContact O-N 2.98Å
280	E	46.6	Very low	41.5	Very low	90 Å²	90	62.7 Å²	62.7	42%	0.421	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-36.1	179.5	-77.7	-174.9	173.8	0	0	113.3	H276 E277 V283 Q284	H276-E280 IonicContact CE1-OE1 3.79Å; H276-E280 PolarHBondContact CE1-OE1 3.22Å; H276-E280 VanDerWaalsContact CE1-OE1 3.25Å; H276-E280 IonicContact ND1-OE1 3.19Å; H276-E280 PolarHBondContact ND1-OE1 3.1Å; H276-E280 WeakPolarHBondContact O-CB 3.28Å; H276-E280 WeakPolarHBondContact O-CG 3.36Å; H276-E280 PolarHBondContact O-N 3.25Å; E277-E280 PolarHBondContact O-N 2.77Å; E280-V283 WeakPolarHBondContact O-CB 3.25Å; E280-V283 PolarHBondContact O-N 3.08Å; E280-Q284 WeakPolarHBondContact O-CB 3.42Å; E280-Q284 VanDerWaalsContact O-CG 3.26Å; E280-Q284 WeakPolarHBondContact O-CG 3.46Å; E280-Q284 PolarHBondContact O-N 3.33Å
281	T	48.1	Very low	41.8	Very low	35 Å²	35	57.8 Å²	57.8	22%	0.215	35%	0.349	C	S	.	.	H	α-helix	trans	-69.7	-40.8	176.2	-50.7	0	0	0	0	109.7	L273 E277 N279 Q284 Q285	L273-T281 HydrophobicContact CD1-CG2 4.46Å; L273-T281 WeakPolarHBondContact CD2-OG1 3.46Å; E277-T281 WeakPolarHBondContact O-CB 3.43Å; E277-T281 PolarHBondContact O-N 3.08Å; E277-T281 PolarHBondContact O-OG1 3.28Å; N279-T281 PolarHBondContact O-N 2.84Å; T281-Q284 PolarHBondContact O-N 2.83Å; T281-Q285 HydrophobicContact CG2-CG 4.31Å; T281-Q285 VanDerWaalsContact O-CB 3.27Å; T281-Q285 WeakPolarHBondContact O-CB 3.43Å; T281-Q285 WeakPolarHBondContact O-CG 3.15Å; T281-Q285 PolarHBondContact O-N 2.92Å
282	A	43	Very low	42.3	Very low	18 Å²	18	62.8 Å²	62.8	15%	0.149	37%	0.367	C	S	.	.	H	α-helix	trans	-63.9	-39.3	171.1	0	0	0	0	0	111.9	L278 N279 A286 Y299	L278-A282 WeakPolarHBondContact O-CB 3.41Å; L278-A282 PolarHBondContact O-N 2.82Å; N279-A282 PolarHBondContact O-N 2.94Å; A282-A286 VanDerWaalsContact O-CB 3.23Å; A282-A286 WeakPolarHBondContact O-CB 3.29Å; A282-A286 PolarHBondContact O-N 3.04Å; A282-A286 VanDerWaalsContact O-N 3.08Å; A282-Y299 HydrophobicContact CB-CD1 3.78Å; A282-Y299 HydrophobicContact CB-CD2 3.86Å; A282-Y299 HydrophobicContact CB-CE1 4.01Å; A282-Y299 HydrophobicContact CB-CE2 4.09Å; A282-Y299 HydrophobicContact CB-CG 3.73Å; A282-Y299 WeakPolarHBondContact O-CE1 3.48Å
283	V	43.1	Very low	43	Very low	69 Å²	69	62.2 Å²	62.2	42%	0.418	36%	0.36	S	S	.	.	H	α-helix	trans	-60.6	-48.3	172.9	175.9	0	0	0	0	110.8	N279 E280 A287 Y299	N279-V283 WeakPolarHBondContact O-CB 3.26Å; N279-V283 WeakPolarHBondContact O-CG2 3.28Å; N279-V283 PolarHBondContact O-N 2.98Å; E280-V283 WeakPolarHBondContact O-CB 3.25Å; E280-V283 PolarHBondContact O-N 3.08Å; V283-A287 WeakPolarHBondContact O-CB 3.4Å; V283-A287 PolarHBondContact O-N 3.05Å; V283-Y299 WeakPolarHBondContact CA-OH 3.5Å; V283-Y299 WeakPolarHBondContact CB-OH 3.41Å; V283-Y299 HydrophobicContact CG2-CE2 4.05Å; V283-Y299 WeakPolarHBondContact CG2-OH 3.48Å
284	Q	44.1	Very low	43.6	Very low	134 Å²	134	59.9 Å²	59.9	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-70.6	-38.6	-177.2	-75.8	175.1	3.8	0	0	112.5	E280 T281	E280-Q284 WeakPolarHBondContact O-CB 3.42Å; E280-Q284 VanDerWaalsContact O-CG 3.26Å; E280-Q284 WeakPolarHBondContact O-CG 3.46Å; E280-Q284 PolarHBondContact O-N 3.33Å; T281-Q284 PolarHBondContact O-N 2.83Å
285	Q	44.4	Very low	44.5	Very low	75 Å²	75	61.6 Å²	61.6	35%	0.35	36%	0.359	S	S	.	.	H	α-helix	trans	-72.1	-33	178.8	-72.6	178	-2.1	0	0	112.7	T281 T288	T281-Q285 HydrophobicContact CG2-CG 4.31Å; T281-Q285 VanDerWaalsContact O-CB 3.27Å; T281-Q285 WeakPolarHBondContact O-CB 3.43Å; T281-Q285 WeakPolarHBondContact O-CG 3.15Å; T281-Q285 PolarHBondContact O-N 2.92Å; Q285-T288 PolarHBondContact O-OG1 3.07Å
286	A	38.3	Very low	45.7	Very low	3 Å²	3	61.8 Å²	61.8	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-76.2	-30.2	177.1	0	0	0	0	0	112.7	A282 T288 S289 G291 Y299	A282-A286 VanDerWaalsContact O-CB 3.23Å; A282-A286 WeakPolarHBondContact O-CB 3.29Å; A282-A286 PolarHBondContact O-N 3.04Å; A282-A286 VanDerWaalsContact O-N 3.08Å; A286-T288 PolarHBondContact O-N 3.03Å; A286-S289 PolarHBondContact O-N 2.88Å; A286-S289 VanDerWaalsContact O-N 3.16Å; A286-G291 WeakPolarHBondContact O-CA 3.27Å; A286-G291 PolarHBondContact O-N 3.12Å; A286-G291 VanDerWaalsContact O-N 3.13Å; A286-Y299 HydrophobicContact CB-CE1 3.99Å
287	A	36.2	Very low	47	Very low	81 Å²	81	58.1 Å²	58.1	67%	0.669	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-18.3	-176.8	0	0	0	0	0	114.6	V283	V283-A287 WeakPolarHBondContact O-CB 3.4Å; V283-A287 PolarHBondContact O-N 3.05Å
288	T	38.2	Very low	48.3	Very low	117 Å²	117	55.9 Å²	55.9	72%	0.718	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-8.3	-179.2	36.1	0	0	0	0	115.5	Q285 A286	Q285-T288 PolarHBondContact O-OG1 3.07Å; A286-T288 PolarHBondContact O-N 3.03Å
289	S	35.2	Very low	49.6	Very low	47 Å²	47	54.4 Å²	54.4	33%	0.329	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-164.2	105.1	179.7	38.5	0	0	0	0	111.3	A286 G291	A286-S289 PolarHBondContact O-N 2.88Å; A286-S289 VanDerWaalsContact O-N 3.16Å; S289-G291 PolarHBondContact O-N 2.8Å
290	G	38.6	Very low	51.4	Low	68 Å²	68	53.3 Å²	53.3	70%	0.701	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	-0.9	174.1	0	0	0	0	0	117	L292 M293	G290-L292 VanDerWaalsContact C-N 3.26Å; G290-L292 PolarHBondContact O-N 2.81Å; G290-M293 PolarHBondContact O-N 3.01Å
291	G	40.3	Very low	53.3	Low	12 Å²	12	49.1 Å²	49.1	12%	0.124	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-2.6	-161	0	0	0	0	0	119.9	A286 S289 M293 T295	A286-G291 WeakPolarHBondContact O-CA 3.27Å; A286-G291 PolarHBondContact O-N 3.12Å; A286-G291 VanDerWaalsContact O-N 3.13Å; S289-G291 PolarHBondContact O-N 2.8Å; G291-M293 VanDerWaalsContact C-N 3.27Å; G291-M293 PolarHBondContact O-N 3.18Å; G291-T295 PolarHBondContact O-OG1 3.42Å
292	L	46.3	Very low	55.1	Low	141 Å²	141	47.4 Å²	47.4	74%	0.738	29%	0.29	S	S	*	.	H	α-helix	trans	-68.1	-29.9	175.4	-123.6	126.3	0	0	0	111.7	G290 T295	G290-L292 VanDerWaalsContact C-N 3.26Å; G290-L292 PolarHBondContact O-N 2.81Å; L292-T295 PolarHBondContact O-OG1 3.02Å
293	M	51.5	Low	57.3	Low	51 Å²	51	47.7 Å²	47.7	25%	0.251	29%	0.287	S	S	.	.	H	α-helix	trans	-75.3	-39.3	-174.4	-57.6	-161	98.6	0	0	113.2	G290 G291 T295 L296 Y380	G290-M293 PolarHBondContact O-N 3.01Å; G291-M293 VanDerWaalsContact C-N 3.27Å; G291-M293 PolarHBondContact O-N 3.18Å; M293-T295 VanDerWaalsContact C-N 3.33Å; M293-T295 PolarHBondContact O-N 2.86Å; M293-L296 PolarHBondContact O-N 2.87Å; M293-Y380 HydrophobicContact CE-CD1 3.17Å; M293-Y380 HydrophobicContact CE-CE1 3.36Å; M293-Y380 HydrophobicContact CE-CG 4.08Å
294	H	53.2	Low	59.5	Low	20 Å²	20	44.4 Å²	44.4	9%	0.093	27%	0.267	C	S	.	.	H	α-helix	trans	-68.9	-27.5	-179.2	-81.9	-61.4	0	0	0	114.4	D229 L296 L297 N298 Y299	D229-H294 IonicContact OD1-CE1 3.52Å; D229-H294 PolarHBondContact OD1-CE1 3.33Å; D229-H294 IonicContact OD1-NE2 3.42Å; D229-H294 PolarHBondContact OD1-NE2 2.93Å; D229-H294 IonicContact OD2-CE1 2.69Å; D229-H294 IonicContact OD2-NE2 3.25Å; H294-L296 PolarHBondContact O-N 3.27Å; H294-L297 PolarHBondContact O-N 3.21Å; H294-N298 PolarHBondContact O-N 2.99Å; H294-Y299 HydrophobicContact CB-CD1 3.94Å; H294-Y299 HydrophobicContact CB-CE1 4.38Å; H294-Y299 WeakPolarHBondContact O-CA 3.44Å; H294-Y299 PolarHBondContact O-N 2.95Å
295	T	61.6	Low	61.8	Low	73 Å²	73	38.1 Å²	38.1	45%	0.448	24%	0.238	S	C	.	.	H	α-helix	trans	-56.7	-35.9	178.6	-9.9	0	0	0	0	112.6	G291 L292 M293 L297 N298 Y299	G291-T295 PolarHBondContact O-OG1 3.42Å; L292-T295 PolarHBondContact O-OG1 3.02Å; M293-T295 VanDerWaalsContact C-N 3.33Å; M293-T295 PolarHBondContact O-N 2.86Å; T295-L297 VanDerWaalsContact C-N 3.34Å; T295-L297 PolarHBondContact O-N 3.35Å; T295-N298 PolarHBondContact O-N 2.91Å; T295-Y299 WeakPolarHBondContact CG2-OH 3.06Å
296	L	70.1	Confident	63.7	Low	22 Å²	22	35.6 Å²	35.6	12%	0.115	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-37.2	-176.9	-73.3	173.3	0	0	0	112.8	M293 H294 N298 Y380 A388 T392 Y393	M293-L296 PolarHBondContact O-N 2.87Å; H294-L296 PolarHBondContact O-N 3.27Å; L296-N298 VanDerWaalsContact C-N 3.33Å; L296-Y380 HydrophobicContact CD1-CE1 3.85Å; L296-Y380 WeakPolarHBondContact CD1-OH 3.28Å; L296-A388 HydrophobicContact CB-CB 4.13Å; L296-T392 HydrophobicContact CD2-CG2 3.94Å; L296-Y393 HydrophobicContact CD2-CD2 4.42Å; L296-Y393 HydrophobicContact CD2-CE2 3.76Å
297	L	72.5	Confident	65.8	Low	25 Å²	25	36.2 Å²	36.2	13%	0.131	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	21.4	178.8	-62.8	179	0	0	0	112	H294 T295 Y299 C300 P302 E385 A388	H294-L297 PolarHBondContact O-N 3.21Å; T295-L297 VanDerWaalsContact C-N 3.34Å; T295-L297 PolarHBondContact O-N 3.35Å; L297-Y299 PolarHBondContact O-N 3.05Å; L297-C300 WeakPolarHBondContact CB-O 3.46Å; L297-C300 WeakPolarHBondContact O-CB 3.36Å; L297-C300 PolarHBondContact O-N 3.28Å; L297-P302 HydrophobicContact CD1-CB 3.88Å; L297-E385 HydrophobicContact CD1-CG 3.69Å; L297-E385 HydrophobicContact CG-CG 4.45Å; L297-A388 HydrophobicContact CD2-CB 3.54Å; L297-A388 HydrophobicContact CG-CB 4.36Å
298	N	71.3	Confident	68.2	Low	26 Å²	26	32.4 Å²	32.4	14%	0.139	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	42.9	-179.3	-165.8	29.5	0	0	0	112.8	R143 H294 T295 L296 C300	R143-N298 PolarHBondContact NH2-ND2 3.39Å; H294-N298 PolarHBondContact O-N 2.99Å; T295-N298 PolarHBondContact O-N 2.91Å; L296-N298 VanDerWaalsContact C-N 3.33Å; N298-C300 PolarHBondContact O-N 2.96Å
299	Y	75.6	Confident	70.2	Confident	12 Å²	12	27 Å²	27	5%	0.047	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	9.7	-177.9	-53	-82.7	0	0	0	115.7	R143 C144 A282 V283 A286 H294 T295 L297	R143-Y299 CarbonylContact C-O 3.52Å; R143-Y299 WeakPolarHBondContact CA-O 3.25Å; C144-Y299 PolarHBondContact N-O 3.08Å; A282-Y299 HydrophobicContact CB-CD1 3.78Å; A282-Y299 HydrophobicContact CB-CD2 3.86Å; A282-Y299 HydrophobicContact CB-CE1 4.01Å; A282-Y299 HydrophobicContact CB-CE2 4.09Å; A282-Y299 HydrophobicContact CB-CG 3.73Å; A282-Y299 WeakPolarHBondContact O-CE1 3.48Å; V283-Y299 WeakPolarHBondContact CA-OH 3.5Å; V283-Y299 WeakPolarHBondContact CB-OH 3.41Å; V283-Y299 HydrophobicContact CG2-CE2 4.05Å; V283-Y299 WeakPolarHBondContact CG2-OH 3.48Å; A286-Y299 HydrophobicContact CB-CE1 3.99Å; H294-Y299 HydrophobicContact CB-CD1 3.94Å; H294-Y299 HydrophobicContact CB-CE1 4.38Å; H294-Y299 WeakPolarHBondContact O-CA 3.44Å; H294-Y299 PolarHBondContact O-N 2.95Å; T295-Y299 WeakPolarHBondContact CG2-OH 3.06Å; L297-Y299 PolarHBondContact O-N 3.05Å
300	C	81.9	Confident	72.7	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.007	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-85.8	154.1	172	-71.2	0	0	0	0	111.6	V5 L297 N298	V5-C300 HydrophobicContact CB-CB 4.16Å; V5-C300 VanDerWaalsContact CB-SG 3.52Å; V5-C300 HydrophobicContact CG1-CB 3.3Å; V5-C300 WeakPolarHBondContact CG1-SG 3.38Å; V5-C300 HydrophobicContact CG2-CB 4.21Å; V5-C300 VanDerWaalsContact CG2-SG 3.53Å; L297-C300 WeakPolarHBondContact CB-O 3.46Å; L297-C300 WeakPolarHBondContact O-CB 3.36Å; L297-C300 PolarHBondContact O-N 3.28Å; N298-C300 PolarHBondContact O-N 2.96Å
301	A	85.3	Confident	75.2	Confident	1 Å²	1	23 Å²	23	1%	0.008	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-66.1	148.6	171.9	0	0	0	0	0	110.9	C144 D229 K232 L236	C144-A301 PolarHBondContact SG-N 2.73Å; C144-A301 VanDerWaalsContact SG-N 3.4Å; D229-A301 VanDerWaalsContact O-CB 3.32Å; D229-A301 WeakPolarHBondContact O-CB 3.2Å; K232-A301 HydrophobicContact CB-CB 3.61Å; L236-A301 VanDerWaalsContact CD2-O 3.3Å; L236-A301 WeakPolarHBondContact CD2-O 3.34Å
302	P	87.5	Confident	77.6	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-64.1	142.7	175.3	27.1	-34.1	0	0	0	111.4	L212 V224 S233 L297 T382 D384 E385	L212-P302 HydrophobicContact CD1-CG 4.39Å; V224-P302 HydrophobicContact CG1-CG 3.51Å; S233-P302 VanDerWaalsContact CB-O 3.31Å; S233-P302 WeakPolarHBondContact CB-O 3.2Å; S233-P302 PolarHBondContact OG-O 2.97Å; L297-P302 HydrophobicContact CD1-CB 3.88Å; P302-T382 HydrophobicContact CB-CG2 3.75Å; P302-T382 VanDerWaalsContact CB-OG1 3.27Å; P302-T382 WeakPolarHBondContact CB-OG1 3.41Å; P302-T382 HydrophobicContact CG-CG2 3.73Å; P302-D384 HydrophobicContact CB-CB 4.18Å; P302-E385 HydrophobicContact CB-CG 4.19Å
303	R	88.8	Confident	79.6	Confident	24 Å²	24	17.1 Å²	17.1	9%	0.091	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-85.9	134.2	169.6	-56.8	-179.6	-168.7	140.8	13.9	108.8	G6 L236 L308 D384	G6-R303 VanDerWaalsContact N-NH2 3.12Å; G6-R303 PolarHBondContact O-NE 3.08Å; G6-R303 PolarHBondContact O-NH1 3.01Å; G6-R303 PolarHBondContact O-NH2 3.44Å; G6-R303 VanDerWaalsContact O-NH2 3.1Å; L236-R303 HydrophobicContact CD2-CG 3.7Å; L236-R303 HydrophobicContact CG-CG 4.43Å; R303-L308 HydrophobicContact CB-CD2 3.87Å; R303-D384 WeakPolarHBondContact CB-OD2 3.28Å; R303-D384 PolarHBondContact N-OD2 2.83Å; R303-D384 WeakPolarHBondContact O-CB 3.33Å
304	P	89.6	Confident	81.5	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-63.4	154.8	168.7	21.9	-25.2	0	0	0	110.6	L212 F213 E222 S306 S307 L308	L212-P304 HydrophobicContact CB-CB 4.08Å; L212-P304 HydrophobicContact CD1-CB 4.4Å; F213-P304 HydrophobicContact CD1-CB 4.49Å; F213-P304 HydrophobicContact CD1-CG 3.48Å; F213-P304 VanDerWaalsContact CD1-CG 3.48Å; F213-P304 HydrophobicContact CD2-CG 4.32Å; F213-P304 HydrophobicContact CE1-CB 4.46Å; F213-P304 HydrophobicContact CE1-CG 3.16Å; F213-P304 HydrophobicContact CE2-CG 4.07Å; F213-P304 HydrophobicContact CG-CG 4.08Å; F213-P304 HydrophobicContact CZ-CG 3.54Å; F213-P304 WeakPolarHBondContact O-CB 3.48Å; E222-P304 WeakPolarHBondContact OE2-CA 3.43Å; P304-S306 PolarHBondContact O-N 3.03Å; P304-S307 WeakPolarHBondContact O-CA 3.44Å; P304-S307 PolarHBondContact O-N 2.89Å; P304-L308 PolarHBondContact O-N 3.1Å
305	I	90.9	Very high	83.4	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-49.9	-42.5	-174.3	-66.1	149.9	0	0	0	112.2	L219 P220 E222 S307 L308 F311 L341 V383	L219-I305 HydrophobicContact CD1-CB 4.46Å; L219-I305 HydrophobicContact CD1-CG2 4.42Å; L219-I305 HydrophobicContact CD2-CB 4.1Å; L219-I305 HydrophobicContact CD2-CD1 4.17Å; L219-I305 HydrophobicContact CD2-CG2 3.56Å; P220-I305 HydrophobicContact CG-CD1 3.49Å; P220-I305 VanDerWaalsContact CG-CD1 3.49Å; E222-I305 HydrophobicContact CG-CD1 4.11Å; E222-I305 WeakPolarHBondContact OE2-CD1 3.43Å; E222-I305 WeakPolarHBondContact OE2-CG1 3.34Å; E222-I305 PolarHBondContact OE2-N 3.39Å; I305-S307 PolarHBondContact O-N 2.85Å; I305-S307 VanDerWaalsContact O-N 3.08Å; I305-L308 HydrophobicContact CB-CD1 4.49Å; I305-L308 HydrophobicContact CG1-CD1 4.42Å; I305-L308 WeakPolarHBondContact O-CB 3.48Å; I305-L308 PolarHBondContact O-N 3.03Å; I305-F311 HydrophobicContact CG2-CB 4.34Å; I305-F311 HydrophobicContact CG2-CD1 4.11Å; I305-F311 HydrophobicContact CG2-CD2 3.62Å; I305-F311 HydrophobicContact CG2-CE1 4.31Å; I305-F311 HydrophobicContact CG2-CE2 3.86Å; I305-F311 HydrophobicContact CG2-CG 3.75Å; I305-F311 HydrophobicContact CG2-CZ 4.19Å; I305-F311 VanDerWaalsContact O-CB 3.27Å; I305-F311 WeakPolarHBondContact O-CB 3.26Å; I305-F311 WeakPolarHBondContact O-CD1 3.4Å; I305-F311 WeakPolarHBondContact O-CG 3.15Å; I305-L341 HydrophobicContact CD1-CD2 3.87Å; I305-L341 HydrophobicContact CG2-CD1 4.46Å; I305-V383 HydrophobicContact CD1-CB 4.2Å; I305-V383 HydrophobicContact CD1-CG2 3.59Å; I305-V383 HydrophobicContact CG1-CB 3.69Å; I305-V383 HydrophobicContact CG1-CG1 4.35Å; I305-V383 HydrophobicContact CG1-CG2 3.68Å
306	S	84.3	Confident	85	Confident	23 Å²	23	17.7 Å²	17.7	16%	0.161	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-62.3	-16.5	-179.8	63.9	0	0	0	0	114.8	F213 T215 P304	F213-S306 WeakPolarHBondContact CE2-OG 3.34Å; T215-S306 VanDerWaalsContact OG1-CB 3.25Å; T215-S306 WeakPolarHBondContact OG1-CB 3.25Å; P304-S306 PolarHBondContact O-N 3.03Å
307	S	83.8	Confident	86.1	Confident	16 Å²	16	21.2 Å²	21.2	11%	0.112	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-109.7	4.3	177.1	-64.1	0	0	0	0	113.7	F213 C237 P304 I305	F213-S307 WeakPolarHBondContact CZ-OG 3.39Å; C237-S307 VanDerWaalsContact SG-CB 3.59Å; P304-S307 WeakPolarHBondContact O-CA 3.44Å; P304-S307 PolarHBondContact O-N 2.89Å; I305-S307 PolarHBondContact O-N 2.85Å; I305-S307 VanDerWaalsContact O-N 3.08Å
308	L	85.2	Confident	87.1	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.			trans	-71.5	128.7	174.5	-67.9	176.8	0	0	0	109.4	R303 P304 I305 Y310 F311 L332 V383 D384	R303-L308 HydrophobicContact CB-CD2 3.87Å; P304-L308 PolarHBondContact O-N 3.1Å; I305-L308 HydrophobicContact CB-CD1 4.49Å; I305-L308 HydrophobicContact CG1-CD1 4.42Å; I305-L308 WeakPolarHBondContact O-CB 3.48Å; I305-L308 PolarHBondContact O-N 3.03Å; L308-Y310 HydrophobicContact CB-CD2 4.45Å; L308-Y310 HydrophobicContact CB-CE2 4.19Å; L308-Y310 HydrophobicContact CD1-CE2 3.9Å; L308-Y310 HydrophobicContact CD2-CE1 4.44Å; L308-Y310 HydrophobicContact CG-CE2 4.46Å; L308-Y310 PolarHBondContact O-N 2.86Å; L308-F311 HydrophobicContact CB-CB 4.05Å; L308-F311 PolarHBondContact O-N 2.78Å; L308-L332 HydrophobicContact CD1-CD1 3.74Å; L308-V383 HydrophobicContact CD1-CB 4.48Å; L308-V383 HydrophobicContact CD1-CG1 4.23Å; L308-D384 HydrophobicContact CD2-CB 3.82Å; L308-D384 WeakPolarHBondContact CD2-OD1 3.42Å
309	P	80.5	Confident	88.2	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.032	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.9	-179.3	-22.9	30	0	0	0	113.2	T419 S420	P309-T419 HydrophobicContact CB-CG2 4.15Å; P309-T419 CarbonylContact O-C 3.56Å; P309-T419 VanDerWaalsContact O-CA 3.26Å; P309-T419 WeakPolarHBondContact O-CA 3.45Å; P309-T419 WeakPolarHBondContact O-CG2 3.45Å; P309-S420 PolarHBondContact O-N 2.73Å
310	Y	87.8	Confident	89.1	Confident	13 Å²	13	29 Å²	29	5%	0.051	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	14.5	-177.6	48.8	-93.9	0	0	0	113.5	L308 H312 F330 L332 I387 P417 V418	L308-Y310 HydrophobicContact CB-CD2 4.45Å; L308-Y310 HydrophobicContact CB-CE2 4.19Å; L308-Y310 HydrophobicContact CD1-CE2 3.9Å; L308-Y310 HydrophobicContact CD2-CE1 4.44Å; L308-Y310 HydrophobicContact CG-CE2 4.46Å; L308-Y310 PolarHBondContact O-N 2.86Å; Y310-H312 PolarHBondContact O-CD2 3.09Å; Y310-F330 AromaticContact CD2-CE2 4Å; Y310-F330 HydrophobicContact CD2-CE2 4Å; Y310-F330 HydrophobicContact CE2-CE2 4.16Å; Y310-F330 HydrophobicContact CG-CE2 4.37Å; Y310-L332 HydrophobicContact CD2-CD1 3.83Å; Y310-L332 HydrophobicContact CD2-CG 4.05Å; Y310-L332 HydrophobicContact CE2-CD1 3.54Å; Y310-L332 HydrophobicContact CE2-CG 4.16Å; Y310-L332 PolarHBondContact O-N 3.01Å; Y310-I387 HydrophobicContact CE2-CG1 4.34Å; Y310-I387 HydrophobicContact CE2-CG2 4.1Å; Y310-I387 WeakPolarHBondContact OH-CG2 3.15Å; Y310-P417 HydrophobicContact CD1-CB 3.49Å; Y310-P417 VanDerWaalsContact CD1-CB 3.49Å; Y310-P417 HydrophobicContact CD1-CG 4.33Å; Y310-P417 HydrophobicContact CE1-CB 4.29Å; Y310-P417 HydrophobicContact CG-CB 3.76Å; Y310-V418 WeakPolarHBondContact CA-O 3.28Å; Y310-V418 WeakPolarHBondContact CB-O 3.49Å
311	F	90.5	Very high	89.7	Confident	16 Å²	16	31.8 Å²	31.8	7%	0.07	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.9	168.9	176.5	-114.7	0	0	0	110.3	L219 I305 L308 L332 I334 L341 S420	L219-F311 HydrophobicContact CD1-CE1 4.43Å; L219-F311 HydrophobicContact CD1-CZ 4.41Å; L219-F311 HydrophobicContact CD2-CE2 4.14Å; L219-F311 HydrophobicContact CD2-CZ 3.85Å; I305-F311 HydrophobicContact CG2-CB 4.34Å; I305-F311 HydrophobicContact CG2-CD1 4.11Å; I305-F311 HydrophobicContact CG2-CD2 3.62Å; I305-F311 HydrophobicContact CG2-CE1 4.31Å; I305-F311 HydrophobicContact CG2-CE2 3.86Å; I305-F311 HydrophobicContact CG2-CG 3.75Å; I305-F311 HydrophobicContact CG2-CZ 4.19Å; I305-F311 VanDerWaalsContact O-CB 3.27Å; I305-F311 WeakPolarHBondContact O-CB 3.26Å; I305-F311 WeakPolarHBondContact O-CD1 3.4Å; I305-F311 WeakPolarHBondContact O-CG 3.15Å; L308-F311 HydrophobicContact CB-CB 4.05Å; L308-F311 PolarHBondContact O-N 2.78Å; F311-L332 CarbonylContact C-O 3.52Å; F311-L332 WeakPolarHBondContact CA-O 3.45Å; F311-L332 HydrophobicContact CB-CB 4.4Å; F311-L332 HydrophobicContact CD2-CB 3.95Å; F311-I334 HydrophobicContact CE2-CD1 4.46Å; F311-I334 HydrophobicContact CE2-CG1 3.98Å; F311-I334 HydrophobicContact CZ-CD1 3.97Å; F311-I334 HydrophobicContact CZ-CG1 3.97Å; F311-L341 HydrophobicContact CD2-CD1 4.28Å; F311-L341 HydrophobicContact CE2-CD1 3.87Å; F311-S420 VanDerWaalsContact O-CB 3.24Å; F311-S420 WeakPolarHBondContact O-CB 3.23Å
312	H	90.6	Very high	90.1	Very high	13 Å²	13	36.4 Å²	36.4	6%	0.06	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	8.6	-173.8	-70	-111.5	0	0	0	114.2	Y310 L315 L332 V418 S420	Y310-H312 PolarHBondContact O-CD2 3.09Å; H312-L315 HydrophobicContact CB-CD1 3.56Å; H312-L315 HydrophobicContact CB-CG 4.1Å; H312-L332 PolarHBondContact N-O 2.9Å; H312-V418 PolarHBondContact NE2-O 3.17Å; H312-S420 WeakPolarHBondContact CA-OG 3.49Å; H312-S420 WeakPolarHBondContact CE1-CA 2.98Å; H312-S420 PolarHBondContact ND1-OG 3.19Å
313	G	89.6	Confident	90.2	Very high	18 Å²	18	38.9 Å²	38.9	19%	0.186	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.8	-136.8	-176.3	0	0	0	0	0	111.2	F333 I334	G313-F333 CarbonylContact O-C 3.59Å; G313-F333 WeakPolarHBondContact O-CA 3.45Å; G313-I334 PolarHBondContact O-N 2.83Å
314	Y	91.2	Very high	90.2	Very high	103 Å²	103	38 Å²	38	40%	0.404	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.4	-177.3	-69.2	-92.5	0	0	0	111.7	S216 N218 I334 K336	S216-Y314 PolarHBondContact OG-OH 2.85Å; N218-Y314 PolarHBondContact ND2-OH 3.19Å; N218-Y314 VanDerWaalsContact ND2-OH 3.07Å; Y314-I334 VanDerWaalsContact CA-O 3.28Å; Y314-I334 WeakPolarHBondContact CA-O 3.38Å; Y314-I334 HydrophobicContact CD1-CB 3.86Å; Y314-I334 HydrophobicContact CD1-CG2 3.66Å; Y314-I334 HydrophobicContact CE1-CB 3.96Å; Y314-I334 HydrophobicContact CE1-CD1 4.28Å; Y314-I334 HydrophobicContact CE1-CG2 3.42Å; Y314-I334 VanDerWaalsContact CE1-CG2 3.42Å; Y314-I334 HydrophobicContact CE2-CD1 4.24Å; Y314-I334 HydrophobicContact CG-CB 4.33Å; Y314-K336 WeakPolarHBondContact O-CE 3.2Å
315	L	93.2	Very high	90	Very high	22 Å²	22	44.3 Å²	44.3	12%	0.115	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	155.9	175.3	-61.9	-179.4	0	0	0	111.1	H312 E319 A320 L323 L331 F333 I334 D335 K336	H312-L315 HydrophobicContact CB-CD1 3.56Å; H312-L315 HydrophobicContact CB-CG 4.1Å; L315-E319 WeakPolarHBondContact CA-OE2 3.46Å; L315-E319 HydrophobicContact CB-CB 4.26Å; L315-E319 HydrophobicContact CD2-CB 4.15Å; L315-A320 HydrophobicContact CD1-CB 4.11Å; L315-L323 HydrophobicContact CD1-CD1 3.81Å; L315-L331 HydrophobicContact CD1-CD1 4.41Å; L315-F333 HydrophobicContact CB-CB 4.12Å; L315-F333 HydrophobicContact CB-CD2 3.72Å; L315-F333 HydrophobicContact CB-CE2 4.48Å; L315-F333 HydrophobicContact CB-CG 4.14Å; L315-F333 HydrophobicContact CD1-CB 4.04Å; L315-F333 HydrophobicContact CD1-CG 4.48Å; L315-F333 HydrophobicContact CG-CB 4.14Å; L315-I334 PolarHBondContact N-O 2.75Å; L315-I334 VanDerWaalsContact N-O 3.07Å; L315-D335 WeakPolarHBondContact O-CA 3.31Å; L315-K336 PolarHBondContact O-N 2.82Å
316	S	94.8	Very high	89.8	Confident	31 Å²	31	49 Å²	49	22%	0.217	25%	0.25	C	C	.	.			trans	-80.9	160.3	157	65.9	0	0	0	0	110.2	E318 E319 A320	S316-E318 VanDerWaalsContact C-N 3.25Å; S316-E318 PolarHBondContact O-N 2.73Å; S316-E319 PolarHBondContact N-OE2 2.81Å; S316-E319 PolarHBondContact O-N 2.98Å; S316-E319 WeakPolarHBondContact OG-CG 3.39Å; S316-E319 PolarHBondContact OG-N 3.37Å; S316-A320 PolarHBondContact O-N 3.19Å
317	E	93.8	Very high	90	Very high	95 Å²	95	50.2 Å²	50.2	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-53.3	-43.2	173.8	-69.2	-172.5	165.9	0	0	112.4	A320 Q321 Y357	E317-A320 PolarHBondContact O-N 2.69Å; E317-Q321 VanDerWaalsContact O-CG 3.3Å; E317-Q321 WeakPolarHBondContact O-CG 3.5Å; E317-Q321 PolarHBondContact O-N 3.32Å; E317-Y357 HydrophobicContact CB-CE1 4.2Å; E317-Y357 HydrophobicContact CG-CD1 4.5Å; E317-Y357 HydrophobicContact CG-CE1 3.89Å; E317-Y357 PolarHBondContact O-OH 2.92Å
318	E	93.6	Very high	90.1	Very high	151 Å²	151	49.5 Å²	49.5	71%	0.706	25%	0.25	S	C	*	.	H	α-helix	trans	-61.4	-45.8	177.6	-66.6	176.8	179	0	0	112.1	S316 A320 Q321 T322	S316-E318 VanDerWaalsContact C-N 3.25Å; S316-E318 PolarHBondContact O-N 2.73Å; E318-A320 VanDerWaalsContact C-N 3.3Å; E318-A320 PolarHBondContact O-N 2.86Å; E318-Q321 PolarHBondContact O-N 3.18Å; E318-T322 WeakPolarHBondContact O-CG2 3.45Å; E318-T322 PolarHBondContact O-N 2.58Å
319	E	94.4	Very high	90.4	Very high	77 Å²	77	50 Å²	50	36%	0.36	25%	0.252	S	S	.	.	H	α-helix	trans	-61.1	-41.8	176.6	-72.5	168.9	158	0	0	110.7	L315 S316 T322 L323 K336	L315-E319 WeakPolarHBondContact CA-OE2 3.46Å; L315-E319 HydrophobicContact CB-CB 4.26Å; L315-E319 HydrophobicContact CD2-CB 4.15Å; S316-E319 PolarHBondContact N-OE2 2.81Å; S316-E319 PolarHBondContact O-N 2.98Å; S316-E319 WeakPolarHBondContact OG-CG 3.39Å; S316-E319 PolarHBondContact OG-N 3.37Å; E319-T322 PolarHBondContact O-N 3.26Å; E319-T322 PolarHBondContact O-OG1 2.67Å; E319-L323 WeakPolarHBondContact O-CG 3.19Å; E319-K336 IonicContact OE1-NZ 2.64Å; E319-K336 PolarHBondContact OE1-NZ 3.19Å; E319-K336 WeakPolarHBondContact OE2-CE 3.19Å; E319-K336 IonicContact OE2-NZ 3.04Å; E319-K336 PolarHBondContact OE2-NZ 2.88Å
320	A	93.9	Very high	91	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-40	177.7	0	0	0	0	0	112.5	L315 S316 E317 E318 T322 L323 L331 F333 V344	L315-A320 HydrophobicContact CD1-CB 4.11Å; S316-A320 PolarHBondContact O-N 3.19Å; E317-A320 PolarHBondContact O-N 2.69Å; E318-A320 VanDerWaalsContact C-N 3.3Å; E318-A320 PolarHBondContact O-N 2.86Å; A320-T322 PolarHBondContact O-N 2.94Å; A320-L323 PolarHBondContact O-N 2.73Å; A320-L331 HydrophobicContact CB-CD1 4.29Å; A320-F333 HydrophobicContact CB-CD1 4.23Å; A320-F333 HydrophobicContact CB-CE1 4.1Å; A320-F333 HydrophobicContact CB-CZ 4.29Å; A320-V344 HydrophobicContact CB-CG1 4.23Å
321	Q	94.3	Very high	91.3	Very high	58 Å²	58	49.2 Å²	49.2	27%	0.271	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-42.6	177.6	-70.2	171.9	6	0	0	111.9	E317 E318 L323 L324 W355 Y357	E317-Q321 VanDerWaalsContact O-CG 3.3Å; E317-Q321 WeakPolarHBondContact O-CG 3.5Å; E317-Q321 PolarHBondContact O-N 3.32Å; E318-Q321 PolarHBondContact O-N 3.18Å; Q321-L323 PolarHBondContact O-N 2.94Å; Q321-L323 VanDerWaalsContact O-N 3.07Å; Q321-L324 PolarHBondContact O-N 3.3Å; Q321-L324 VanDerWaalsContact O-N 3.1Å; Q321-W355 HydrophobicContact CB-CD2 4.15Å; Q321-W355 HydrophobicContact CB-CG 4.43Å; Q321-W355 HydrophobicContact CB-CZ2 4.09Å; Q321-W355 HydrophobicContact CG-CB 4.27Å; Q321-W355 HydrophobicContact CG-CD2 3.65Å; Q321-W355 HydrophobicContact CG-CE3 4.21Å; Q321-W355 HydrophobicContact CG-CG 3.68Å; Q321-W355 HydrophobicContact CG-CZ2 4.47Å; Q321-Y357 WeakPolarHBondContact CG-OH 3.19Å; Q321-Y357 PolarHBondContact NE2-OH 2.8Å
322	T	92.9	Very high	91.5	Very high	99 Å²	99	48.4 Å²	48.4	61%	0.607	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.5	-179.7	63.1	0	0	0	0	114.4	E318 E319 A320 H325	E318-T322 WeakPolarHBondContact O-CG2 3.45Å; E318-T322 PolarHBondContact O-N 2.58Å; E319-T322 PolarHBondContact O-N 3.26Å; E319-T322 PolarHBondContact O-OG1 2.67Å; A320-T322 PolarHBondContact O-N 2.94Å; T322-H325 PolarHBondContact O-CE1 3.27Å; T322-H325 PolarHBondContact O-NE2 3.15Å
323	L	90.2	Very high	91.7	Very high	52 Å²	52	47.8 Å²	47.8	27%	0.272	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-16.6	178.8	-63.1	170.3	0	0	0	112.7	L315 E319 A320 Q321 H325 L331	L315-L323 HydrophobicContact CD1-CD1 3.81Å; E319-L323 WeakPolarHBondContact O-CG 3.19Å; A320-L323 PolarHBondContact O-N 2.73Å; Q321-L323 PolarHBondContact O-N 2.94Å; Q321-L323 VanDerWaalsContact O-N 3.07Å; L323-H325 PolarHBondContact O-ND1 3.39Å; L323-H325 VanDerWaalsContact O-ND1 3.14Å; L323-L331 HydrophobicContact CB-CD2 3.79Å; L323-L331 HydrophobicContact CD1-CD2 4Å
324	L	89.5	Confident	92	Very high	5 Å²	5	47 Å²	47	3%	0.026	23%	0.234	C	C	.	.			trans	-105.2	112.8	-174.2	-58	169	0	0	0	109.9	Q321 D329 L331 V344 H346 V418	Q321-L324 PolarHBondContact O-N 3.3Å; Q321-L324 VanDerWaalsContact O-N 3.1Å; L324-D329 HydrophobicContact CB-CB 4.29Å; L324-D329 HydrophobicContact CD2-CB 3.85Å; L324-L331 HydrophobicContact CD2-CB 4.42Å; L324-L331 HydrophobicContact CD2-CD2 3.85Å; L324-L331 HydrophobicContact CD2-CG 4.01Å; L324-L331 HydrophobicContact CG-CD2 4.04Å; L324-L331 HydrophobicContact CG-CG 4.43Å; L324-V344 HydrophobicContact CD1-CB 4.31Å; L324-V344 HydrophobicContact CD1-CG1 3.81Å; L324-V344 HydrophobicContact CD1-CG2 3.73Å; L324-H346 HydrophobicContact CB-CB 3.66Å; L324-H346 HydrophobicContact CD1-CB 4.26Å; L324-V418 HydrophobicContact CD2-CB 4.25Å; L324-V418 HydrophobicContact CD2-CG2 3.73Å
325	H	86.1	Confident	92.1	Very high	132 Å²	132	42.4 Å²	42.4	61%	0.611	22%	0.216	S	C	*	.			trans	-114.3	-33.7	-168.5	-61.2	87.2	0	0	0	112.8	T322 L323 D329 H346	T322-H325 PolarHBondContact O-CE1 3.27Å; T322-H325 PolarHBondContact O-NE2 3.15Å; L323-H325 PolarHBondContact O-ND1 3.39Å; L323-H325 VanDerWaalsContact O-ND1 3.14Å; H325-D329 PolarHBondContact N-OD2 3.07Å; H325-D329 VanDerWaalsContact N-OD2 3.13Å; H325-H346 PolarHBondContact O-CE1 2.8Å; H325-H346 VanDerWaalsContact O-CE1 3.27Å
326	N	86.3	Confident	92.1	Very high	101 Å²	101	46.4 Å²	46.4	54%	0.54	23%	0.232	S	C	.	.	S	Bend	trans	-109.3	156.1	-174.2	-50.4	-71.7	0	0	0	111.7	G328 D329 H346	N326-G328 PolarHBondContact O-N 2.72Å; N326-D329 WeakPolarHBondContact CB-OD2 3.39Å; N326-D329 PolarHBondContact N-OD2 3.35Å; N326-D329 PolarHBondContact ND2-OD2 3.3Å; N326-D329 VanDerWaalsContact O-CB 3.23Å; N326-D329 WeakPolarHBondContact O-CB 3.14Å; N326-D329 VanDerWaalsContact O-CG 3.31Å; N326-D329 PolarHBondContact O-N 3.36Å; N326-D329 VanDerWaalsContact O-N 3.13Å; N326-H346 VanDerWaalsContact C-ND1 3.32Å; N326-H346 PolarHBondContact O-ND1 3.36Å
327	D	87.8	Confident	92.1	Very high	48 Å²	48	52.7 Å²	52.7	26%	0.257	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	127.6	175.1	-174.8	78.4	0	0	0	110.8	D329 K347 N348 Y416	D327-D329 VanDerWaalsContact C-N 3.33Å; D327-K347 VanDerWaalsContact CG-NZ 3.32Å; D327-K347 WeakPolarHBondContact OD1-CA 3.39Å; D327-K347 WeakPolarHBondContact OD1-CD 3.48Å; D327-K347 VanDerWaalsContact OD1-CE 3.23Å; D327-K347 WeakPolarHBondContact OD1-CE 3.23Å; D327-K347 IonicContact OD1-NZ 3.72Å; D327-K347 PolarHBondContact OD1-NZ 3.25Å; D327-K347 VanDerWaalsContact OD1-NZ 3.09Å; D327-K347 IonicContact OD2-NZ 3.36Å; D327-K347 PolarHBondContact OD2-NZ 2.93Å; D327-N348 HydrophobicContact CB-CB 4.49Å; D327-N348 PolarHBondContact OD1-N 2.84Å; D327-Y416 WeakPolarHBondContact O-CD2 3.5Å; D327-Y416 WeakPolarHBondContact O-CE2 3.46Å
328	G	86.6	Confident	92.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.01	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-2.9	-177.2	0	0	0	0	0	114.5	N326 H346 R415 Y416	N326-G328 PolarHBondContact O-N 2.72Å; G328-H346 PolarHBondContact N-O 3.36Å; G328-R415 PolarHBondContact O-N 3.43Å; G328-R415 VanDerWaalsContact O-N 3.1Å; G328-Y416 PolarHBondContact O-N 3.19Å
329	D	90.5	Very high	92.1	Very high	11 Å²	11	45.1 Å²	45.1	6%	0.059	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	135.7	171.6	-77	-2.6	0	0	0	109.9	L324 H325 N326 D327 L345 H346 Y416 V418	L324-D329 HydrophobicContact CB-CB 4.29Å; L324-D329 HydrophobicContact CD2-CB 3.85Å; H325-D329 PolarHBondContact N-OD2 3.07Å; H325-D329 VanDerWaalsContact N-OD2 3.13Å; N326-D329 WeakPolarHBondContact CB-OD2 3.39Å; N326-D329 PolarHBondContact N-OD2 3.35Å; N326-D329 PolarHBondContact ND2-OD2 3.3Å; N326-D329 VanDerWaalsContact O-CB 3.23Å; N326-D329 WeakPolarHBondContact O-CB 3.14Å; N326-D329 VanDerWaalsContact O-CG 3.31Å; N326-D329 PolarHBondContact O-N 3.36Å; N326-D329 VanDerWaalsContact O-N 3.13Å; D327-D329 VanDerWaalsContact C-N 3.33Å; D329-L345 WeakPolarHBondContact O-CA 3.37Å; D329-H346 HydrophobicContact CB-CB 4.45Å; D329-H346 PolarHBondContact O-N 2.83Å; D329-Y416 CarbonylContact C-O 3.52Å; D329-Y416 VanDerWaalsContact CA-O 3.28Å; D329-Y416 WeakPolarHBondContact CA-O 3.29Å; D329-Y416 WeakPolarHBondContact OD1-CB 3.25Å; D329-V418 HydrophobicContact CB-CG2 3.79Å
330	F	93.8	Very high	92.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.5	175.7	77.3	-84.8	0	0	0	113	Y310 V343 V344 L345 I387 Q391 L414 Y416 P417 V418	Y310-F330 AromaticContact CD2-CE2 4Å; Y310-F330 HydrophobicContact CD2-CE2 4Å; Y310-F330 HydrophobicContact CE2-CE2 4.16Å; Y310-F330 HydrophobicContact CG-CE2 4.37Å; F330-V343 HydrophobicContact CD2-CG2 4.16Å; F330-V344 WeakPolarHBondContact CA-O 2.9Å; F330-V344 VanDerWaalsContact CB-O 3.26Å; F330-V344 WeakPolarHBondContact CB-O 2.94Å; F330-L345 HydrophobicContact CB-CD1 4.15Å; F330-I387 HydrophobicContact CE2-CG2 3.8Å; F330-I387 HydrophobicContact CZ-CG2 3.83Å; F330-Q391 HydrophobicContact CE1-CG 4.34Å; F330-Q391 HydrophobicContact CZ-CG 4.27Å; F330-L414 HydrophobicContact CB-CD2 3.75Å; F330-L414 HydrophobicContact CD1-CB 3.74Å; F330-L414 HydrophobicContact CD1-CD2 4.36Å; F330-L414 HydrophobicContact CD2-CB 4.38Å; F330-L414 HydrophobicContact CD2-CD1 4.25Å; F330-L414 HydrophobicContact CD2-CD2 4.14Å; F330-L414 HydrophobicContact CD2-CG 4.49Å; F330-L414 HydrophobicContact CE1-CB 3.82Å; F330-L414 HydrophobicContact CE2-CB 4.47Å; F330-L414 HydrophobicContact CE2-CD1 4.3Å; F330-L414 HydrophobicContact CG-CB 4.03Å; F330-L414 HydrophobicContact CG-CD2 3.84Å; F330-L414 HydrophobicContact CG-CG 4.36Å; F330-L414 HydrophobicContact CZ-CB 4.18Å; F330-Y416 WeakPolarHBondContact CD1-O 3.33Å; F330-Y416 PolarHBondContact N-O 3.47Å; F330-P417 HydrophobicContact CE1-CB 3.77Å; F330-P417 HydrophobicContact CE1-CG 4.22Å; F330-P417 VanDerWaalsContact CE1-N 3.34Å; F330-P417 HydrophobicContact CE2-CB 4.2Å; F330-P417 HydrophobicContact CZ-CB 3.6Å; F330-P417 HydrophobicContact CZ-CG 4.25Å; F330-V418 PolarHBondContact O-N 3.4Å
331	L	94.2	Very high	92.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	164.2	172.5	64.1	81.4	0	0	0	112	L315 A320 L323 L324 F333 V343 V344	L315-L331 HydrophobicContact CD1-CD1 4.41Å; A320-L331 HydrophobicContact CB-CD1 4.29Å; L323-L331 HydrophobicContact CB-CD2 3.79Å; L323-L331 HydrophobicContact CD1-CD2 4Å; L324-L331 HydrophobicContact CD2-CB 4.42Å; L324-L331 HydrophobicContact CD2-CD2 3.85Å; L324-L331 HydrophobicContact CD2-CG 4.01Å; L324-L331 HydrophobicContact CG-CD2 4.04Å; L324-L331 HydrophobicContact CG-CG 4.43Å; L331-F333 HydrophobicContact CD1-CB 4.08Å; L331-F333 HydrophobicContact CD1-CD1 3.69Å; L331-F333 HydrophobicContact CD1-CG 4.25Å; L331-V343 WeakPolarHBondContact O-CA 3.34Å; L331-V344 HydrophobicContact CD1-CG1 3.49Å; L331-V344 VanDerWaalsContact CD1-CG1 3.49Å; L331-V344 HydrophobicContact CG-CG1 3.69Å; L331-V344 PolarHBondContact N-O 2.7Å; L331-V344 VanDerWaalsContact N-O 3.08Å; L331-V344 PolarHBondContact O-N 3.2Å
332	L	95	Very high	92.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.1	170.8	-70.8	170.8	0	0	0	110.4	L308 Y310 F311 H312 Y342 V343 V360 V383	L308-L332 HydrophobicContact CD1-CD1 3.74Å; Y310-L332 HydrophobicContact CD2-CD1 3.83Å; Y310-L332 HydrophobicContact CD2-CG 4.05Å; Y310-L332 HydrophobicContact CE2-CD1 3.54Å; Y310-L332 HydrophobicContact CE2-CG 4.16Å; Y310-L332 PolarHBondContact O-N 3.01Å; F311-L332 CarbonylContact C-O 3.52Å; F311-L332 WeakPolarHBondContact CA-O 3.45Å; F311-L332 HydrophobicContact CB-CB 4.4Å; F311-L332 HydrophobicContact CD2-CB 3.95Å; H312-L332 PolarHBondContact N-O 2.9Å; L332-Y342 WeakPolarHBondContact CA-O 3.37Å; L332-V343 HydrophobicContact CD2-CB 3.73Å; L332-V343 HydrophobicContact CD2-CG2 4.21Å; L332-V360 HydrophobicContact CD2-CG2 3.99Å; L332-V383 HydrophobicContact CD1-CG1 3.64Å; L332-V383 HydrophobicContact CD2-CG1 4.47Å
333	F	94.9	Very high	92.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	156.9	174.3	73.5	-74.4	0	0	0	111.4	G313 L315 A320 L331 D335 Y342 V344 Y357	G313-F333 CarbonylContact O-C 3.59Å; G313-F333 WeakPolarHBondContact O-CA 3.45Å; L315-F333 HydrophobicContact CB-CB 4.12Å; L315-F333 HydrophobicContact CB-CD2 3.72Å; L315-F333 HydrophobicContact CB-CE2 4.48Å; L315-F333 HydrophobicContact CB-CG 4.14Å; L315-F333 HydrophobicContact CD1-CB 4.04Å; L315-F333 HydrophobicContact CD1-CG 4.48Å; L315-F333 HydrophobicContact CG-CB 4.14Å; A320-F333 HydrophobicContact CB-CD1 4.23Å; A320-F333 HydrophobicContact CB-CE1 4.1Å; A320-F333 HydrophobicContact CB-CZ 4.29Å; L331-F333 HydrophobicContact CD1-CB 4.08Å; L331-F333 HydrophobicContact CD1-CD1 3.69Å; L331-F333 HydrophobicContact CD1-CG 4.25Å; F333-D335 HydrophobicContact CD2-CB 4.46Å; F333-D335 HydrophobicContact CE2-CB 3.84Å; F333-Y342 PolarHBondContact N-O 2.86Å; F333-Y342 PolarHBondContact O-N 2.83Å; F333-V344 HydrophobicContact CD1-CG1 3.96Å; F333-V344 HydrophobicContact CE1-CB 4.08Å; F333-V344 HydrophobicContact CE1-CG1 3.73Å; F333-Y357 AromaticContact CE1-CD1 3.98Å; F333-Y357 HydrophobicContact CE1-CD1 3.98Å; F333-Y357 AromaticContact CE1-CE1 3.93Å; F333-Y357 HydrophobicContact CE1-CE1 3.93Å; F333-Y357 AromaticContact CZ-CD1 3.91Å; F333-Y357 HydrophobicContact CZ-CD1 3.91Å; F333-Y357 AromaticContact CZ-CE1 3.76Å; F333-Y357 HydrophobicContact CZ-CE1 3.76Å
334	I	94.3	Very high	92.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.3	166.6	-57.5	175	0	0	0	107	N218 L219 F311 G313 Y314 L315 K336 G339 Q340 L341	N218-I334 HydrophobicContact CB-CD1 4.21Å; N218-I334 HydrophobicContact CB-CG2 4.44Å; L219-I334 HydrophobicContact CD2-CD1 3.8Å; L219-I334 HydrophobicContact CD2-CG1 4.24Å; L219-I334 HydrophobicContact CG-CD1 4.03Å; F311-I334 HydrophobicContact CE2-CD1 4.46Å; F311-I334 HydrophobicContact CE2-CG1 3.98Å; F311-I334 HydrophobicContact CZ-CD1 3.97Å; F311-I334 HydrophobicContact CZ-CG1 3.97Å; G313-I334 PolarHBondContact O-N 2.83Å; Y314-I334 VanDerWaalsContact CA-O 3.28Å; Y314-I334 WeakPolarHBondContact CA-O 3.38Å; Y314-I334 HydrophobicContact CD1-CB 3.86Å; Y314-I334 HydrophobicContact CD1-CG2 3.66Å; Y314-I334 HydrophobicContact CE1-CB 3.96Å; Y314-I334 HydrophobicContact CE1-CD1 4.28Å; Y314-I334 HydrophobicContact CE1-CG2 3.42Å; Y314-I334 VanDerWaalsContact CE1-CG2 3.42Å; Y314-I334 HydrophobicContact CE2-CD1 4.24Å; Y314-I334 HydrophobicContact CG-CB 4.33Å; L315-I334 PolarHBondContact N-O 2.75Å; L315-I334 VanDerWaalsContact N-O 3.07Å; I334-K336 PolarHBondContact O-N 2.87Å; I334-G339 WeakPolarHBondContact CG2-O 3.46Å; I334-Q340 CarbonylContact C-O 3.58Å; I334-Q340 VanDerWaalsContact CA-O 3.28Å; I334-Q340 WeakPolarHBondContact CA-O 3.4Å; I334-L341 HydrophobicContact CG1-CD1 4.31Å
335	D	94.8	Very high	93	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.032	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	134.6	177.9	177.9	-94.8	0	0	0	110.8	L315 F333 L337 D338 G339 Q340 Y342	L315-D335 WeakPolarHBondContact O-CA 3.31Å; F333-D335 HydrophobicContact CD2-CB 4.46Å; F333-D335 HydrophobicContact CE2-CB 3.84Å; D335-L337 VanDerWaalsContact C-N 3.27Å; D335-L337 PolarHBondContact O-N 2.77Å; D335-L337 WeakPolarHBondContact OD1-CA 3.26Å; D335-L337 WeakPolarHBondContact OD1-CB 3.39Å; D335-L337 PolarHBondContact OD1-N 2.95Å; D335-D338 WeakPolarHBondContact CB-OD1 3.23Å; D335-D338 PolarHBondContact OD1-N 3.35Å; D335-G339 VanDerWaalsContact O-CA 3.25Å; D335-G339 WeakPolarHBondContact O-CA 3.36Å; D335-G339 PolarHBondContact O-N 2.79Å; D335-Q340 PolarHBondContact N-O 3.35Å; D335-Y342 HydrophobicContact CB-CD2 3.85Å; D335-Y342 HydrophobicContact CB-CE2 3.85Å
336	K	93.2	Very high	93.3	Very high	106 Å²	106	31.7 Å²	31.7	46%	0.461	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.6	-177.1	-78.3	174.3	-179.8	167.8	0	113.4	Y314 L315 E319 I334	Y314-K336 WeakPolarHBondContact O-CE 3.2Å; L315-K336 PolarHBondContact O-N 2.82Å; E319-K336 IonicContact OE1-NZ 2.64Å; E319-K336 PolarHBondContact OE1-NZ 3.19Å; E319-K336 WeakPolarHBondContact OE2-CE 3.19Å; E319-K336 IonicContact OE2-NZ 3.04Å; E319-K336 PolarHBondContact OE2-NZ 2.88Å; I334-K336 PolarHBondContact O-N 2.87Å
337	L	93.6	Very high	93.4	Very high	163 Å²	163	27.3 Å²	27.3	85%	0.853	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-46.6	-175.5	-60	169.5	0	0	0	111.6	D335	D335-L337 VanDerWaalsContact C-N 3.27Å; D335-L337 PolarHBondContact O-N 2.77Å; D335-L337 WeakPolarHBondContact OD1-CA 3.26Å; D335-L337 WeakPolarHBondContact OD1-CB 3.39Å; D335-L337 PolarHBondContact OD1-N 2.95Å
338	D	94.4	Very high	93.2	Very high	72 Å²	72	28.3 Å²	28.3	39%	0.385	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-13.9	-174.7	72.3	13.8	0	0	0	114.6	D335 Q340 Y342	D335-D338 WeakPolarHBondContact CB-OD1 3.23Å; D335-D338 PolarHBondContact OD1-N 3.35Å; D338-Q340 HydrophobicContact CB-CG 4.34Å; D338-Q340 PolarHBondContact O-N 2.86Å; D338-Q340 WeakPolarHBondContact OD1-CB 3.38Å; D338-Q340 PolarHBondContact OD1-N 3.18Å; D338-Y342 WeakPolarHBondContact OD2-CE2 3.3Å; D338-Y342 PolarHBondContact OD2-OH 2.82Å
339	G	92.6	Very high	92.7	Very high	16 Å²	16	31.8 Å²	31.8	17%	0.165	16%	0.156	C	C	.	.			trans	72.3	12.1	-179.9	0	0	0	0	0	114.8	I334 D335	I334-G339 WeakPolarHBondContact CG2-O 3.46Å; D335-G339 VanDerWaalsContact O-CA 3.25Å; D335-G339 WeakPolarHBondContact O-CA 3.36Å; D335-G339 PolarHBondContact O-N 2.79Å
340	Q	94.4	Very high	91.9	Very high	86 Å²	86	40.3 Å²	40.3	40%	0.402	20%	0.195	S	C	.	.			trans	-89.7	154.1	179.5	-56.2	-58.2	-25.2	0	0	112	I334 D335 D338 Y342 E359	I334-Q340 CarbonylContact C-O 3.58Å; I334-Q340 VanDerWaalsContact CA-O 3.28Å; I334-Q340 WeakPolarHBondContact CA-O 3.4Å; D335-Q340 PolarHBondContact N-O 3.35Å; D338-Q340 HydrophobicContact CB-CG 4.34Å; D338-Q340 PolarHBondContact O-N 2.86Å; D338-Q340 WeakPolarHBondContact OD1-CB 3.38Å; D338-Q340 PolarHBondContact OD1-N 3.18Å; Q340-Y342 HydrophobicContact CB-CD2 4.33Å; Q340-Y342 HydrophobicContact CB-CE2 3.72Å; Q340-Y342 WeakPolarHBondContact O-CD2 3.42Å; Q340-E359 HydrophobicContact CB-CG 4.38Å
341	L	95.6	Very high	90.8	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.9	176.7	-179.1	65.4	0	0	0	110.1	L219 P220 I305 F311 I334 E359 V360 V383	L219-L341 HydrophobicContact CD2-CD1 4.39Å; P220-L341 HydrophobicContact CG-CD2 4.27Å; I305-L341 HydrophobicContact CD1-CD2 3.87Å; I305-L341 HydrophobicContact CG2-CD1 4.46Å; F311-L341 HydrophobicContact CD2-CD1 4.28Å; F311-L341 HydrophobicContact CE2-CD1 3.87Å; I334-L341 HydrophobicContact CG1-CD1 4.31Å; L341-E359 WeakPolarHBondContact O-CA 3.35Å; L341-V360 HydrophobicContact CB-CB 4.39Å; L341-V360 HydrophobicContact CD2-CB 3.89Å; L341-V360 HydrophobicContact CD2-CG1 4.03Å; L341-V360 HydrophobicContact CD2-CG2 4.38Å; L341-V360 HydrophobicContact CG-CB 3.98Å; L341-V360 HydrophobicContact CG-CG2 4.21Å; L341-V360 PolarHBondContact O-N 3.47Å; L341-V383 HydrophobicContact CD2-CG2 4.36Å
342	Y	96.6	Very high	90	Very high	43 Å²	43	54.1 Å²	54.1	17%	0.169	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.8	176.7	-71.4	-88.4	0	0	0	111.9	L332 F333 D335 D338 Q340 R358 E359	L332-Y342 WeakPolarHBondContact CA-O 3.37Å; F333-Y342 PolarHBondContact N-O 2.86Å; F333-Y342 PolarHBondContact O-N 2.83Å; D335-Y342 HydrophobicContact CB-CD2 3.85Å; D335-Y342 HydrophobicContact CB-CE2 3.85Å; D338-Y342 WeakPolarHBondContact OD2-CE2 3.3Å; D338-Y342 PolarHBondContact OD2-OH 2.82Å; Q340-Y342 HydrophobicContact CB-CD2 4.33Å; Q340-Y342 HydrophobicContact CB-CE2 3.72Å; Q340-Y342 WeakPolarHBondContact O-CD2 3.42Å; Y342-R358 WeakPolarHBondContact CA-O 3.44Å; Y342-E359 HydrophobicContact CD1-CB 4.2Å; Y342-E359 HydrophobicContact CE1-CB 3.86Å
343	V	96.2	Very high	89.4	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.9	154.8	64.1	0	0	0	0	108.5	F330 L331 L332 Y357 R358 V360 I371 L414	F330-V343 HydrophobicContact CD2-CG2 4.16Å; L331-V343 WeakPolarHBondContact O-CA 3.34Å; L332-V343 HydrophobicContact CD2-CB 3.73Å; L332-V343 HydrophobicContact CD2-CG2 4.21Å; V343-Y357 WeakPolarHBondContact O-CA 3.21Å; V343-R358 HydrophobicContact CG1-CB 3.91Å; V343-R358 PolarHBondContact N-O 2.68Å; V343-R358 PolarHBondContact O-N 2.8Å; V343-V360 HydrophobicContact CB-CG2 4.41Å; V343-V360 HydrophobicContact CG1-CG2 4.46Å; V343-I371 HydrophobicContact CG1-CD1 3.88Å; V343-I371 HydrophobicContact CG1-CG1 4.3Å; V343-L414 HydrophobicContact CG2-CD1 4.13Å; V343-L414 HydrophobicContact CG2-CD2 3.91Å
344	V	96.3	Very high	89.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.2	172.5	54.7	0	0	0	0	109.4	A320 L324 F330 L331 F333 W355 H356 Y357	A320-V344 HydrophobicContact CB-CG1 4.23Å; L324-V344 HydrophobicContact CD1-CB 4.31Å; L324-V344 HydrophobicContact CD1-CG1 3.81Å; L324-V344 HydrophobicContact CD1-CG2 3.73Å; F330-V344 WeakPolarHBondContact CA-O 2.9Å; F330-V344 VanDerWaalsContact CB-O 3.26Å; F330-V344 WeakPolarHBondContact CB-O 2.94Å; L331-V344 HydrophobicContact CD1-CG1 3.49Å; L331-V344 VanDerWaalsContact CD1-CG1 3.49Å; L331-V344 HydrophobicContact CG-CG1 3.69Å; L331-V344 PolarHBondContact N-O 2.7Å; L331-V344 VanDerWaalsContact N-O 3.08Å; L331-V344 PolarHBondContact O-N 3.2Å; F333-V344 HydrophobicContact CD1-CG1 3.96Å; F333-V344 HydrophobicContact CE1-CB 4.08Å; F333-V344 HydrophobicContact CE1-CG1 3.73Å; V344-W355 HydrophobicContact CG2-CB 4.14Å; V344-H356 WeakPolarHBondContact CA-O 3.07Å; V344-Y357 HydrophobicContact CB-CD1 3.75Å; V344-Y357 HydrophobicContact CB-CE1 3.76Å; V344-Y357 HydrophobicContact CB-CG 4.4Å; V344-Y357 HydrophobicContact CG1-CE1 4.46Å; V344-Y357 HydrophobicContact CG2-CD1 3.84Å; V344-Y357 HydrophobicContact CG2-CD2 4.38Å; V344-Y357 HydrophobicContact CG2-CE1 3.54Å; V344-Y357 HydrophobicContact CG2-CE2 4.11Å; V344-Y357 HydrophobicContact CG2-CG 4.24Å
345	L	95.1	Very high	89	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.1	178.4	171.9	74.4	0	0	0	109.4	D329 F330 W355 H356 I397 E412 V413 L414	D329-L345 WeakPolarHBondContact O-CA 3.37Å; F330-L345 HydrophobicContact CB-CD1 4.15Å; L345-W355 WeakPolarHBondContact O-CA 3.45Å; L345-H356 PolarHBondContact N-O 2.84Å; L345-H356 PolarHBondContact O-N 2.92Å; L345-I397 HydrophobicContact CB-CD1 3.8Å; L345-I397 HydrophobicContact CD2-CD1 4.02Å; L345-I397 HydrophobicContact CD2-CG1 4.43Å; L345-E412 VanDerWaalsContact CD2-CA 3.42Å; L345-E412 HydrophobicContact CD2-CB 3.65Å; L345-E412 HydrophobicContact CD2-CG 4.45Å; L345-V413 WeakPolarHBondContact CD1-O 3.15Å; L345-L414 HydrophobicContact CB-CD2 4.16Å; L345-L414 HydrophobicContact CD1-CD2 4.14Å
346	H	93.3	Very high	88.9	Confident	7 Å²	7	62.9 Å²	62.9	3%	0.032	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	131	168.7	176.5	-135.1	0	0	0	110.9	L324 H325 N326 G328 D329 N348 A353 D354 W355	L324-H346 HydrophobicContact CB-CB 3.66Å; L324-H346 HydrophobicContact CD1-CB 4.26Å; H325-H346 PolarHBondContact O-CE1 2.8Å; H325-H346 VanDerWaalsContact O-CE1 3.27Å; N326-H346 VanDerWaalsContact C-ND1 3.32Å; N326-H346 PolarHBondContact O-ND1 3.36Å; G328-H346 PolarHBondContact N-O 3.36Å; D329-H346 HydrophobicContact CB-CB 4.45Å; D329-H346 PolarHBondContact O-N 2.83Å; H346-N348 PolarHBondContact NE2-OD1 3.29Å; H346-A353 WeakPolarHBondContact NE2-CB 3.32Å; H346-D354 PolarHBondContact CD2-O 3.17Å; H346-W355 AromaticContact CD2-CE2 3.91Å; H346-W355 AromaticContact CD2-NE1 3.76Å
347	K	89	Confident	88.9	Confident	8 Å²	8	59.5 Å²	59.5	4%	0.035	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	126	-179.9	-170.9	74.1	-158.2	160	0	110.1	D327 R349 D354 A409	D327-K347 VanDerWaalsContact CG-NZ 3.32Å; D327-K347 WeakPolarHBondContact OD1-CA 3.39Å; D327-K347 WeakPolarHBondContact OD1-CD 3.48Å; D327-K347 VanDerWaalsContact OD1-CE 3.23Å; D327-K347 WeakPolarHBondContact OD1-CE 3.23Å; D327-K347 IonicContact OD1-NZ 3.72Å; D327-K347 PolarHBondContact OD1-NZ 3.25Å; D327-K347 VanDerWaalsContact OD1-NZ 3.09Å; D327-K347 IonicContact OD2-NZ 3.36Å; D327-K347 PolarHBondContact OD2-NZ 2.93Å; K347-R349 HydrophobicContact CG-CG 4.34Å; K347-D354 PolarHBondContact N-O 3.02Å; K347-D354 PolarHBondContact O-N 2.9Å; K347-A409 WeakPolarHBondContact CE-O 3.23Å; K347-A409 PolarHBondContact NZ-O 3.35Å
348	N	83.8	Confident	89	Confident	69 Å²	69	55.2 Å²	55.2	37%	0.369	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115.2	171.9	-77	-34.6	0	0	0	109.5	D327 H346 V352 A353	D327-N348 HydrophobicContact CB-CB 4.49Å; D327-N348 PolarHBondContact OD1-N 2.84Å; H346-N348 PolarHBondContact NE2-OD1 3.29Å; N348-V352 WeakPolarHBondContact CA-O 3.47Å; N348-A353 WeakPolarHBondContact OD1-CA 3.45Å
349	R	75.2	Confident	89	Confident	74 Å²	74	55.2 Å²	55.2	28%	0.279	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.9	171.7	-75.9	-176.7	175.9	160.1	5.8	109.1	K347 M351 V352 E412	K347-R349 HydrophobicContact CG-CG 4.34Å; R349-M351 PolarHBondContact O-N 3.47Å; R349-M351 VanDerWaalsContact O-N 3.17Å; R349-V352 PolarHBondContact N-O 2.64Å; R349-V352 WeakPolarHBondContact O-CB 3.3Å; R349-V352 PolarHBondContact O-N 2.92Å; R349-E412 IonicContact CZ-OE1 2.72Å; R349-E412 IonicContact NH1-OE1 3.91Å; R349-E412 IonicContact NH2-OE1 3.13Å; R349-E412 PolarHBondContact NH2-OE1 2.76Å
350	E	73.7	Confident	89.1	Confident	190 Å²	190	54.8 Å²	54.8	89%	0.888	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	40	176.5	-57	-176.9	171	0	0	113.3	V352	E350-V352 PolarHBondContact O-N 2.7Å
351	M	71	Confident	89	Confident	194 Å²	194	53.9 Å²	53.9	96%	0.956	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	15.1	-175.6	-54.7	-172.5	154.8	0	0	115.7	R349	R349-M351 PolarHBondContact O-N 3.47Å; R349-M351 VanDerWaalsContact O-N 3.17Å
352	V	77.2	Confident	88.8	Confident	96 Å²	96	56.5 Å²	56.5	58%	0.582	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.9	170	-174.2	0	0	0	0	109.1	N348 R349 E350 D354	N348-V352 WeakPolarHBondContact CA-O 3.47Å; R349-V352 PolarHBondContact N-O 2.64Å; R349-V352 WeakPolarHBondContact O-CB 3.3Å; R349-V352 PolarHBondContact O-N 2.92Å; E350-V352 PolarHBondContact O-N 2.7Å; V352-D354 PolarHBondContact O-N 3.34Å
353	A	81.9	Confident	88.4	Confident	41 Å²	41	56.1 Å²	56.1	34%	0.339	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	123.5	171.2	0	0	0	0	0	109.6	H346 N348 W355	H346-A353 WeakPolarHBondContact NE2-CB 3.32Å; N348-A353 WeakPolarHBondContact OD1-CA 3.45Å; A353-W355 HydrophobicContact CB-CH2 3.81Å; A353-W355 HydrophobicContact CB-CZ2 4.26Å; A353-W355 HydrophobicContact CB-CZ3 4.17Å
354	D	88.5	Confident	87.8	Confident	65 Å²	65	65.1 Å²	65.1	35%	0.348	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.6	177.3	-160.9	6.1	0	0	0	110	H346 K347 V352 H356	H346-D354 PolarHBondContact CD2-O 3.17Å; K347-D354 PolarHBondContact N-O 3.02Å; K347-D354 PolarHBondContact O-N 2.9Å; V352-D354 PolarHBondContact O-N 3.34Å; D354-H356 IonicContact OD2-CE1 2.65Å; D354-H356 PolarHBondContact OD2-CE1 2.78Å; D354-H356 IonicContact OD2-NE2 3.45Å
355	W	92.3	Very high	87.1	Confident	67 Å²	67	75.3 Å²	75.3	25%	0.254	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.6	-177.8	-65.7	-92.8	0	0	0	110.5	Q321 V344 L345 H346 A353 Y357	Q321-W355 HydrophobicContact CB-CD2 4.15Å; Q321-W355 HydrophobicContact CB-CG 4.43Å; Q321-W355 HydrophobicContact CB-CZ2 4.09Å; Q321-W355 HydrophobicContact CG-CB 4.27Å; Q321-W355 HydrophobicContact CG-CD2 3.65Å; Q321-W355 HydrophobicContact CG-CE3 4.21Å; Q321-W355 HydrophobicContact CG-CG 3.68Å; Q321-W355 HydrophobicContact CG-CZ2 4.47Å; V344-W355 HydrophobicContact CG2-CB 4.14Å; L345-W355 WeakPolarHBondContact O-CA 3.45Å; H346-W355 AromaticContact CD2-CE2 3.91Å; H346-W355 AromaticContact CD2-NE1 3.76Å; A353-W355 HydrophobicContact CB-CH2 3.81Å; A353-W355 HydrophobicContact CB-CZ2 4.26Å; A353-W355 HydrophobicContact CB-CZ3 4.17Å; W355-Y357 HydrophobicContact CB-CE2 3.81Å
356	H	92.5	Very high	86.6	Confident	18 Å²	18	77.8 Å²	77.8	8%	0.083	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111.2	-175.2	-60.7	-57.9	0	0	0	110.8	V344 L345 D354 I397 E412	V344-H356 WeakPolarHBondContact CA-O 3.07Å; L345-H356 PolarHBondContact N-O 2.84Å; L345-H356 PolarHBondContact O-N 2.92Å; D354-H356 IonicContact OD2-CE1 2.65Å; D354-H356 PolarHBondContact OD2-CE1 2.78Å; D354-H356 IonicContact OD2-NE2 3.45Å; H356-I397 HydrophobicContact CB-CD1 4.13Å; H356-E412 IonicContact CD2-OE1 2.69Å; H356-E412 IonicContact CE1-OE1 2.67Å; H356-E412 IonicContact CG-OE2 2.7Å; H356-E412 IonicContact ND1-OE1 3.16Å; H356-E412 IonicContact NE2-OE1 2.91Å
357	Y	94.2	Very high	86.1	Confident	36 Å²	36	83.6 Å²	83.6	14%	0.141	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.2	179	-59.5	-98.5	0	0	0	111	E317 Q321 F333 V343 V344 W355	E317-Y357 HydrophobicContact CB-CE1 4.2Å; E317-Y357 HydrophobicContact CG-CD1 4.5Å; E317-Y357 HydrophobicContact CG-CE1 3.89Å; E317-Y357 PolarHBondContact O-OH 2.92Å; Q321-Y357 WeakPolarHBondContact CG-OH 3.19Å; Q321-Y357 PolarHBondContact NE2-OH 2.8Å; F333-Y357 AromaticContact CE1-CD1 3.98Å; F333-Y357 HydrophobicContact CE1-CD1 3.98Å; F333-Y357 AromaticContact CE1-CE1 3.93Å; F333-Y357 HydrophobicContact CE1-CE1 3.93Å; F333-Y357 AromaticContact CZ-CD1 3.91Å; F333-Y357 HydrophobicContact CZ-CD1 3.91Å; F333-Y357 AromaticContact CZ-CE1 3.76Å; F333-Y357 HydrophobicContact CZ-CE1 3.76Å; V343-Y357 WeakPolarHBondContact O-CA 3.21Å; V344-Y357 HydrophobicContact CB-CD1 3.75Å; V344-Y357 HydrophobicContact CB-CE1 3.76Å; V344-Y357 HydrophobicContact CB-CG 4.4Å; V344-Y357 HydrophobicContact CG1-CE1 4.46Å; V344-Y357 HydrophobicContact CG2-CD1 3.84Å; V344-Y357 HydrophobicContact CG2-CD2 4.38Å; V344-Y357 HydrophobicContact CG2-CE1 3.54Å; V344-Y357 HydrophobicContact CG2-CE2 4.11Å; V344-Y357 HydrophobicContact CG2-CG 4.24Å; W355-Y357 HydrophobicContact CB-CE2 3.81Å
358	R	94.9	Very high	86	Confident	72 Å²	72	83.3 Å²	83.3	27%	0.272	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	130.8	168.2	-62.5	-69.5	177.9	-96.6	-8.2	110.4	Y342 V343 I371 I397 E412	Y342-R358 WeakPolarHBondContact CA-O 3.44Å; V343-R358 HydrophobicContact CG1-CB 3.91Å; V343-R358 PolarHBondContact N-O 2.68Å; V343-R358 PolarHBondContact O-N 2.8Å; R358-I371 HydrophobicContact CB-CG2 3.67Å; R358-I371 HydrophobicContact CG-CG2 4.05Å; R358-I397 HydrophobicContact CG-CB 4.14Å; R358-I397 HydrophobicContact CG-CD1 4.05Å; R358-I397 HydrophobicContact CG-CG1 4.18Å; R358-I397 PolarHBondContact NE-O 3.45Å; R358-E412 IonicContact NH2-OE2 2.66Å; R358-E412 PolarHBondContact NH2-OE2 3.22Å
359	E	95.1	Very high	86.3	Confident	72 Å²	72	80.1 Å²	80.1	34%	0.336	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.9	172.2	-169.7	-168.2	164.9	0	0	109.5	Q340 L341 Y342 R361	Q340-E359 HydrophobicContact CB-CG 4.38Å; L341-E359 WeakPolarHBondContact O-CA 3.35Å; Y342-E359 HydrophobicContact CD1-CB 4.2Å; Y342-E359 HydrophobicContact CE1-CB 3.86Å; E359-R361 HydrophobicContact CB-CG 4.18Å; E359-R361 VanDerWaalsContact CD-CG 3.48Å; E359-R361 HydrophobicContact CG-CG 3.79Å
360	V	94.9	Very high	87.1	Confident	7 Å²	7	77 Å²	77	4%	0.042	36%	0.36	C	S	.	.			trans	-87.4	106.4	169.5	-177.3	0	0	0	0	107.3	L332 L341 V343 I371 V383	L332-V360 HydrophobicContact CD2-CG2 3.99Å; L341-V360 HydrophobicContact CB-CB 4.39Å; L341-V360 HydrophobicContact CD2-CB 3.89Å; L341-V360 HydrophobicContact CD2-CG1 4.03Å; L341-V360 HydrophobicContact CD2-CG2 4.38Å; L341-V360 HydrophobicContact CG-CB 3.98Å; L341-V360 HydrophobicContact CG-CG2 4.21Å; L341-V360 PolarHBondContact O-N 3.47Å; V343-V360 HydrophobicContact CB-CG2 4.41Å; V343-V360 HydrophobicContact CG1-CG2 4.46Å; V360-I371 HydrophobicContact CG2-CG1 4.08Å; V360-V383 HydrophobicContact CG1-CG2 3.86Å
361	R	92.8	Very high	88.1	Confident	68 Å²	68	68.2 Å²	68.2	26%	0.257	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	155.3	-172.3	-68.5	176.4	-72.4	161.5	-0.8	110.9	E359 V369 F370 I371 D373	E359-R361 HydrophobicContact CB-CG 4.18Å; E359-R361 VanDerWaalsContact CD-CG 3.48Å; E359-R361 HydrophobicContact CG-CG 3.79Å; R361-V369 CarbonylContact O-C 3.55Å; R361-V369 WeakPolarHBondContact O-CA 3.42Å; R361-F370 HydrophobicContact CB-CD1 4.41Å; R361-F370 HydrophobicContact CB-CD2 4.18Å; R361-F370 HydrophobicContact CB-CE1 3.89Å; R361-F370 HydrophobicContact CB-CE2 3.65Å; R361-F370 HydrophobicContact CB-CZ 3.46Å; R361-F370 VanDerWaalsContact CB-CZ 3.46Å; R361-F370 HydrophobicContact CG-CE2 4.48Å; R361-F370 PolarHBondContact N-O 3.07Å; R361-F370 WeakPolarHBondContact O-CD1 3.07Å; R361-F370 PolarHBondContact O-N 2.97Å; R361-I371 PolarHBondContact NH2-O 3.26Å; R361-D373 IonicContact CZ-OD1 3.38Å; R361-D373 IonicContact NH1-OD1 3.74Å; R361-D373 PolarHBondContact NH1-OD1 3.21Å; R361-D373 VanDerWaalsContact NH1-OD1 3.1Å; R361-D373 IonicContact NH1-OD2 3.06Å; R361-D373 IonicContact NH2-OD1 3.61Å; R361-D373 PolarHBondContact NH2-OD1 3.23Å; R361-D373 IonicContact NH2-OD2 2.92Å
362	T	90.2	Very high	89	Confident	60 Å²	60	59.3 Å²	59.3	37%	0.368	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.2	176.4	-43.3	0	0	0	0	109.9	P220 A368 V369	P220-T362 VanDerWaalsContact CB-OG1 3.25Å; P220-T362 WeakPolarHBondContact CB-OG1 3.37Å; T362-A368 CarbonylContact C-O 3.56Å; T362-A368 WeakPolarHBondContact CA-O 3.25Å; T362-V369 HydrophobicContact CG2-CG1 4.3Å
363	N	88.1	Confident	89.5	Confident	35 Å²	35	57.8 Å²	57.8	19%	0.187	26%	0.263	C	S	.	.			trans	-80.4	125.1	177.8	177.8	-19.9	0	0	0	109.6	Y365 N366 R367 A368 F370	N363-Y365 VanDerWaalsContact C-N 3.26Å; N363-Y365 PolarHBondContact O-N 3.34Å; N363-Y365 PolarHBondContact OD1-N 3.38Å; N363-N366 WeakPolarHBondContact CB-OD1 3.29Å; N363-N366 PolarHBondContact ND2-OD1 2.87Å; N363-R367 WeakPolarHBondContact O-CA 3.32Å; N363-R367 PolarHBondContact O-N 3.07Å; N363-A368 PolarHBondContact N-O 3.47Å; N363-F370 HydrophobicContact CB-CD1 4.36Å; N363-F370 HydrophobicContact CB-CE1 3.92Å
364	F	83.9	Confident	89.7	Confident	188 Å²	188	61.4 Å²	61.4	83%	0.825	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.9	-176.1	-172.2	-96.6	0	0	0	114
365	Y	82.5	Confident	89.5	Confident	214 Å²	214	58.5 Å²	58.5	84%	0.839	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-45.6	-172.2	-63	-75.7	0	0	0	113.3	N363	N363-Y365 VanDerWaalsContact C-N 3.26Å; N363-Y365 PolarHBondContact O-N 3.34Å; N363-Y365 PolarHBondContact OD1-N 3.38Å
366	N	82.9	Confident	89.1	Confident	53 Å²	53	58.5 Å²	58.5	28%	0.283	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	0.9	-174.8	66	-4	0	0	0	113.2	N363 A368 N379	N363-N366 WeakPolarHBondContact CB-OD1 3.29Å; N363-N366 PolarHBondContact ND2-OD1 2.87Å; N366-A368 PolarHBondContact O-N 2.78Å; N366-A368 VanDerWaalsContact O-N 3.12Å; N366-A368 WeakPolarHBondContact OD1-CB 3.37Å; N366-A368 PolarHBondContact OD1-N 3.25Å; N366-A368 VanDerWaalsContact OD1-N 3.1Å; N366-N379 PolarHBondContact ND2-OD1 3.36Å
367	R	82.6	Confident	88.6	Confident	129 Å²	129	64.2 Å²	64.2	49%	0.487	29%	0.288	S	S	.	.			trans	60.7	12.9	-177.3	-54.6	-176	176.4	179.8	-3	114.8	H223 N363 V369 L381	H223-R367 PolarHBondContact CE1-NH1 3.03Å; H223-R367 PolarHBondContact NE2-NH1 2.85Å; N363-R367 WeakPolarHBondContact O-CA 3.32Å; N363-R367 PolarHBondContact O-N 3.07Å; R367-V369 PolarHBondContact O-N 3.48Å; R367-L381 HydrophobicContact CB-CD2 4.45Å
368	A	87	Confident	88.1	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.008	30%	0.295	C	S	.	.			trans	-67.7	134.9	179.1	0	0	0	0	0	110.8	T362 N363 N366 Y380	T362-A368 CarbonylContact C-O 3.56Å; T362-A368 WeakPolarHBondContact CA-O 3.25Å; N363-A368 PolarHBondContact N-O 3.47Å; N366-A368 PolarHBondContact O-N 2.78Å; N366-A368 VanDerWaalsContact O-N 3.12Å; N366-A368 WeakPolarHBondContact OD1-CB 3.37Å; N366-A368 PolarHBondContact OD1-N 3.25Å; N366-A368 VanDerWaalsContact OD1-N 3.1Å; A368-Y380 CarbonylContact C-O 3.56Å; A368-Y380 WeakPolarHBondContact CA-O 3.46Å
369	V	91.1	Very high	87.7	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	141.1	172.1	-66.3	0	0	0	0	110.4	R361 T362 R367 Y380 T382 V383 L386	R361-V369 CarbonylContact O-C 3.55Å; R361-V369 WeakPolarHBondContact O-CA 3.42Å; T362-V369 HydrophobicContact CG2-CG1 4.3Å; R367-V369 PolarHBondContact O-N 3.48Å; V369-Y380 WeakPolarHBondContact CG2-O 3.22Å; V369-Y380 PolarHBondContact N-O 3.17Å; V369-T382 VanDerWaalsContact CG2-C 3.45Å; V369-T382 VanDerWaalsContact CG2-O 3.28Å; V369-T382 WeakPolarHBondContact CG2-O 3.25Å; V369-V383 HydrophobicContact CB-CG2 4.36Å; V369-V383 HydrophobicContact CG1-CG2 4.2Å; V369-V383 HydrophobicContact CG2-CG2 4.3Å; V369-L386 HydrophobicContact CB-CD2 4.41Å; V369-L386 HydrophobicContact CG2-CB 4.2Å; V369-L386 HydrophobicContact CG2-CD2 4.15Å
370	F	92.3	Very high	87.3	Confident	10 Å²	10	62.7 Å²	62.7	4%	0.044	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	149.7	-178.1	63.6	-84.1	0	0	0	111.5	R361 N363 R372 D375 K376	R361-F370 HydrophobicContact CB-CD1 4.41Å; R361-F370 HydrophobicContact CB-CD2 4.18Å; R361-F370 HydrophobicContact CB-CE1 3.89Å; R361-F370 HydrophobicContact CB-CE2 3.65Å; R361-F370 HydrophobicContact CB-CZ 3.46Å; R361-F370 VanDerWaalsContact CB-CZ 3.46Å; R361-F370 HydrophobicContact CG-CE2 4.48Å; R361-F370 PolarHBondContact N-O 3.07Å; R361-F370 WeakPolarHBondContact O-CD1 3.07Å; R361-F370 PolarHBondContact O-N 2.97Å; N363-F370 HydrophobicContact CB-CD1 4.36Å; N363-F370 HydrophobicContact CB-CE1 3.92Å; F370-R372 WeakPolarHBondContact CD2-O 3.36Å; F370-D375 HydrophobicContact CB-CB 4.03Å; F370-K376 HydrophobicContact CB-CG 4.38Å; F370-K376 HydrophobicContact CD1-CG 3.82Å; F370-K376 HydrophobicContact CD2-CG 3.81Å; F370-K376 HydrophobicContact CE1-CD 4.5Å; F370-K376 HydrophobicContact CE1-CG 4Å; F370-K376 HydrophobicContact CE2-CD 4.25Å; F370-K376 HydrophobicContact CE2-CG 3.97Å; F370-K376 HydrophobicContact CG-CG 3.73Å; F370-K376 HydrophobicContact CZ-CD 4.25Å; F370-K376 HydrophobicContact CZ-CG 4.09Å
371	I	93.4	Very high	87	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.021	29%	0.288	C	S	.	.	S	Bend	trans	-99.5	-52.1	173.1	-73.3	160.4	0	0	0	109	V343 R358 V360 R361 L386 I387 Y390 I397	V343-I371 HydrophobicContact CG1-CD1 3.88Å; V343-I371 HydrophobicContact CG1-CG1 4.3Å; R358-I371 HydrophobicContact CB-CG2 3.67Å; R358-I371 HydrophobicContact CG-CG2 4.05Å; V360-I371 HydrophobicContact CG2-CG1 4.08Å; R361-I371 PolarHBondContact NH2-O 3.26Å; I371-L386 HydrophobicContact CD1-CD2 4.05Å; I371-L386 HydrophobicContact CD1-CG 4.48Å; I371-L386 HydrophobicContact CG1-CD2 4Å; I371-I387 HydrophobicContact CD1-CD1 4.19Å; I371-Y390 HydrophobicContact CB-CE2 4.15Å; I371-Y390 WeakPolarHBondContact CB-OH 3.06Å; I371-Y390 HydrophobicContact CD1-CD2 4.15Å; I371-Y390 HydrophobicContact CD1-CE2 3.72Å; I371-Y390 HydrophobicContact CG1-CE2 4.43Å; I371-I397 HydrophobicContact CG2-CB 4.49Å
372	R	91.2	Very high	86.9	Confident	7 Å²	7	59.5 Å²	59.5	3%	0.026	28%	0.276	C	S	.	.	S	Bend	trans	-96.7	150.1	174.6	-51.9	167.2	-57.9	-178.2	7	110.2	F370 K374 D375 Y390 P396 I397 Q398 E399	F370-R372 WeakPolarHBondContact CD2-O 3.36Å; R372-K374 HydrophobicContact CB-CG 3.98Å; R372-K374 PolarHBondContact O-N 3.24Å; R372-D375 WeakPolarHBondContact CA-OD2 3.42Å; R372-D375 WeakPolarHBondContact CB-OD2 3.09Å; R372-D375 WeakPolarHBondContact CG-OD2 2.98Å; R372-D375 IonicContact CZ-OD1 3.94Å; R372-D375 IonicContact CZ-OD2 3.85Å; R372-D375 PolarHBondContact N-OD2 3.13Å; R372-D375 IonicContact NE-OD1 3.43Å; R372-D375 PolarHBondContact NE-OD1 3.27Å; R372-D375 IonicContact NE-OD2 3.5Å; R372-D375 PolarHBondContact NE-OD2 2.9Å; R372-D375 IonicContact NH2-OD1 3.88Å; R372-D375 PolarHBondContact NH2-OD1 2.79Å; R372-D375 IonicContact NH2-OD2 3.33Å; R372-D375 WeakPolarHBondContact O-CB 3.37Å; R372-D375 PolarHBondContact O-N 2.99Å; R372-Y390 WeakPolarHBondContact CG-OH 3.48Å; R372-Y390 PolarHBondContact NE-OH 3.18Å; R372-Y390 VanDerWaalsContact NE-OH 3.09Å; R372-P396 WeakPolarHBondContact CD-O 3.26Å; R372-P396 PolarHBondContact NH1-O 3.3Å; R372-I397 WeakPolarHBondContact CG-O 3.33Å; R372-Q398 WeakPolarHBondContact CD-O 3.2Å; R372-E399 WeakPolarHBondContact CA-OE1 3.44Å; R372-E399 HydrophobicContact CB-CG 3.76Å; R372-E399 WeakPolarHBondContact CB-OE1 3.11Å; R372-E399 HydrophobicContact CG-CG 3.83Å
373	D	88.1	Confident	87.1	Confident	65 Å²	65	56.6 Å²	56.6	35%	0.348	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-60.2	-30.3	176.9	-74.5	-48.4	0	0	0	112.3	R361 D375 K376 E399	R361-D373 IonicContact CZ-OD1 3.38Å; R361-D373 IonicContact NH1-OD1 3.74Å; R361-D373 PolarHBondContact NH1-OD1 3.21Å; R361-D373 VanDerWaalsContact NH1-OD1 3.1Å; R361-D373 IonicContact NH1-OD2 3.06Å; R361-D373 IonicContact NH2-OD1 3.61Å; R361-D373 PolarHBondContact NH2-OD1 3.23Å; R361-D373 IonicContact NH2-OD2 2.92Å; D373-D375 PolarHBondContact O-N 3.13Å; D373-K376 WeakPolarHBondContact O-CB 3.31Å; D373-K376 WeakPolarHBondContact O-CD 3.48Å; D373-K376 VanDerWaalsContact O-CG 3.3Å; D373-K376 WeakPolarHBondContact O-CG 2.91Å; D373-K376 PolarHBondContact O-N 2.92Å; D373-K376 WeakPolarHBondContact OD1-CE 3.24Å; D373-K376 IonicContact OD1-NZ 3.88Å; D373-K376 PolarHBondContact OD1-NZ 2.87Å; D373-E399 WeakPolarHBondContact CB-OE1 3.4Å; D373-E399 PolarHBondContact N-OE1 3.49Å
374	K	85.4	Confident	87.2	Confident	117 Å²	117	55.6 Å²	55.6	51%	0.509	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-71.3	-14	173.2	69.2	-179.5	-176.4	179.9	0	114.5	R372 K376	R372-K374 HydrophobicContact CB-CG 3.98Å; R372-K374 PolarHBondContact O-N 3.24Å; K374-K376 VanDerWaalsContact C-N 3.32Å
375	D	84.6	Confident	87.4	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-84.8	-9.8	177.8	-54.5	-38.7	0	0	0	112	F370 R372 D373 D377 L378 Y390	F370-D375 HydrophobicContact CB-CB 4.03Å; R372-D375 WeakPolarHBondContact CA-OD2 3.42Å; R372-D375 WeakPolarHBondContact CB-OD2 3.09Å; R372-D375 WeakPolarHBondContact CG-OD2 2.98Å; R372-D375 IonicContact CZ-OD1 3.94Å; R372-D375 IonicContact CZ-OD2 3.85Å; R372-D375 PolarHBondContact N-OD2 3.13Å; R372-D375 IonicContact NE-OD1 3.43Å; R372-D375 PolarHBondContact NE-OD1 3.27Å; R372-D375 IonicContact NE-OD2 3.5Å; R372-D375 PolarHBondContact NE-OD2 2.9Å; R372-D375 IonicContact NH2-OD1 3.88Å; R372-D375 PolarHBondContact NH2-OD1 2.79Å; R372-D375 IonicContact NH2-OD2 3.33Å; R372-D375 WeakPolarHBondContact O-CB 3.37Å; R372-D375 PolarHBondContact O-N 2.99Å; D373-D375 PolarHBondContact O-N 3.13Å; D375-D377 PolarHBondContact O-N 3.47Å; D375-D377 VanDerWaalsContact O-N 3.15Å; D375-L378 HydrophobicContact CB-CD1 3.78Å; D375-L378 HydrophobicContact CB-CG 4.41Å; D375-L378 VanDerWaalsContact O-CB 3.23Å; D375-L378 WeakPolarHBondContact O-CB 3.34Å; D375-L378 WeakPolarHBondContact O-CG 3.26Å; D375-L378 PolarHBondContact O-N 2.96Å; D375-Y390 PolarHBondContact OD2-OH 3.36Å
376	K	84.1	Confident	87.8	Confident	67 Å²	67	37.3 Å²	37.3	29%	0.291	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-54.7	-34.9	179.4	-74.1	175.9	-177	163.7	0	113.1	F370 D373 K374 L378	F370-K376 HydrophobicContact CB-CG 4.38Å; F370-K376 HydrophobicContact CD1-CG 3.82Å; F370-K376 HydrophobicContact CD2-CG 3.81Å; F370-K376 HydrophobicContact CE1-CD 4.5Å; F370-K376 HydrophobicContact CE1-CG 4Å; F370-K376 HydrophobicContact CE2-CD 4.25Å; F370-K376 HydrophobicContact CE2-CG 3.97Å; F370-K376 HydrophobicContact CG-CG 3.73Å; F370-K376 HydrophobicContact CZ-CD 4.25Å; F370-K376 HydrophobicContact CZ-CG 4.09Å; D373-K376 WeakPolarHBondContact O-CB 3.31Å; D373-K376 WeakPolarHBondContact O-CD 3.48Å; D373-K376 VanDerWaalsContact O-CG 3.3Å; D373-K376 WeakPolarHBondContact O-CG 2.91Å; D373-K376 PolarHBondContact O-N 2.92Å; D373-K376 WeakPolarHBondContact OD1-CE 3.24Å; D373-K376 IonicContact OD1-NZ 3.88Å; D373-K376 PolarHBondContact OD1-NZ 2.87Å; K374-K376 VanDerWaalsContact C-N 3.32Å; K376-L378 VanDerWaalsContact C-N 3.25Å; K376-L378 PolarHBondContact O-N 3.43Å
377	D	82.3	Confident	88.2	Confident	139 Å²	139	34.8 Å²	34.8	74%	0.743	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-78.6	-10.3	-178.2	-60.1	-33.4	0	0	0	112.8	D375 N379	D375-D377 PolarHBondContact O-N 3.47Å; D375-D377 VanDerWaalsContact O-N 3.15Å; D377-N379 VanDerWaalsContact C-N 3.27Å; D377-N379 PolarHBondContact O-N 2.94Å; D377-N379 PolarHBondContact O-ND2 2.87Å
378	L	83.9	Confident	88.3	Confident	55 Å²	55	29 Å²	29	29%	0.288	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-72.7	-21.8	175.5	-56.8	175.5	0	0	0	112.2	D375 K376 Y380 Y389	D375-L378 HydrophobicContact CB-CD1 3.78Å; D375-L378 HydrophobicContact CB-CG 4.41Å; D375-L378 VanDerWaalsContact O-CB 3.23Å; D375-L378 WeakPolarHBondContact O-CB 3.34Å; D375-L378 WeakPolarHBondContact O-CG 3.26Å; D375-L378 PolarHBondContact O-N 2.96Å; K376-L378 VanDerWaalsContact C-N 3.25Å; K376-L378 PolarHBondContact O-N 3.43Å; L378-Y380 HydrophobicContact CB-CD2 3.63Å; L378-Y380 HydrophobicContact CB-CE2 3.57Å; L378-Y380 HydrophobicContact CD1-CD2 4.21Å; L378-Y380 HydrophobicContact CD1-CE2 3.75Å; L378-Y380 HydrophobicContact CG-CE2 4.19Å; L378-Y380 PolarHBondContact O-N 3.5Å; L378-Y389 HydrophobicContact CD1-CD1 3.99Å; L378-Y389 HydrophobicContact CD1-CE1 3.46Å; L378-Y389 VanDerWaalsContact CD1-CE1 3.46Å; L378-Y389 HydrophobicContact CD1-CE2 4.34Å
379	N	84.9	Confident	88.3	Confident	72 Å²	72	31 Å²	31	39%	0.385	15%	0.152	S	C	.	.			trans	55.4	30	175.7	-64.2	-66.4	0	0	0	115.3	N366 D377 L381	N366-N379 PolarHBondContact ND2-OD1 3.36Å; D377-N379 VanDerWaalsContact C-N 3.27Å; D377-N379 PolarHBondContact O-N 2.94Å; D377-N379 PolarHBondContact O-ND2 2.87Å; N379-L381 PolarHBondContact O-N 3.21Å
380	Y	87.6	Confident	88.1	Confident	20 Å²	20	30.9 Å²	30.9	8%	0.078	15%	0.151	C	C	.	.			trans	-63	132.8	169.8	-67.9	-64.4	0	0	0	110.4	M293 L296 A368 V369 L378 E385 L386 Y389	M293-Y380 HydrophobicContact CE-CD1 3.17Å; M293-Y380 HydrophobicContact CE-CE1 3.36Å; M293-Y380 HydrophobicContact CE-CG 4.08Å; L296-Y380 HydrophobicContact CD1-CE1 3.85Å; L296-Y380 WeakPolarHBondContact CD1-OH 3.28Å; A368-Y380 CarbonylContact C-O 3.56Å; A368-Y380 WeakPolarHBondContact CA-O 3.46Å; V369-Y380 WeakPolarHBondContact CG2-O 3.22Å; V369-Y380 PolarHBondContact N-O 3.17Å; L378-Y380 HydrophobicContact CB-CD2 3.63Å; L378-Y380 HydrophobicContact CB-CE2 3.57Å; L378-Y380 HydrophobicContact CD1-CD2 4.21Å; L378-Y380 HydrophobicContact CD1-CE2 3.75Å; L378-Y380 HydrophobicContact CG-CE2 4.19Å; L378-Y380 PolarHBondContact O-N 3.5Å; Y380-E385 HydrophobicContact CD1-CB 3.56Å; Y380-E385 HydrophobicContact CE1-CB 4.16Å; Y380-E385 HydrophobicContact CG-CB 4.3Å; Y380-L386 HydrophobicContact CD2-CB 4.46Å; Y380-L386 HydrophobicContact CD2-CD1 3.8Å; Y380-L386 HydrophobicContact CE2-CD1 4.48Å; Y380-Y389 HydrophobicContact CE2-CD1 4.09Å; Y380-Y389 HydrophobicContact CE2-CD2 4.18Å; Y380-Y389 AromaticContact CE2-CG 3.75Å; Y380-Y389 HydrophobicContact CE2-CG 3.75Å; Y380-Y389 AromaticContact CZ-CG 3.98Å; Y380-Y389 VanDerWaalsContact OH-CD2 3.29Å; Y380-Y389 WeakPolarHBondContact OH-CD2 3.39Å
381	L	88.4	Confident	87.7	Confident	8 Å²	8	33.5 Å²	33.5	4%	0.042	16%	0.164	C	C	.	.			trans	-99.3	-11.7	-179.7	-69.4	-167.9	0	0	0	113.7	H223 Y225 R367 N379	H223-L381 HydrophobicContact CB-CD1 4.17Å; H223-L381 VanDerWaalsContact O-CB 3.23Å; H223-L381 WeakPolarHBondContact O-CB 3.29Å; Y225-L381 HydrophobicContact CD1-CD1 4.31Å; Y225-L381 HydrophobicContact CD2-CD1 3.73Å; Y225-L381 HydrophobicContact CD2-CG 4.49Å; Y225-L381 HydrophobicContact CE1-CD1 3.8Å; Y225-L381 HydrophobicContact CE2-CD1 3.15Å; Y225-L381 HydrophobicContact CE2-CG 3.64Å; Y225-L381 HydrophobicContact CG-CD1 4.28Å; Y225-L381 WeakPolarHBondContact OH-CD1 3.19Å; R367-L381 HydrophobicContact CB-CD2 4.45Å; N379-L381 PolarHBondContact O-N 3.21Å
382	T	91.3	Very high	87.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-127.4	148.2	179	70.5	0	0	0	0	110.9	L212 E222 V224 P302 V369 D384 E385 L386	L212-T382 HydrophobicContact CD1-CG2 3.8Å; E222-T382 HydrophobicContact CB-CG2 4.39Å; E222-T382 VanDerWaalsContact OE1-CA 3.3Å; E222-T382 WeakPolarHBondContact OE1-CA 3.48Å; V224-T382 HydrophobicContact CG1-CG2 4.37Å; P302-T382 HydrophobicContact CB-CG2 3.75Å; P302-T382 VanDerWaalsContact CB-OG1 3.27Å; P302-T382 WeakPolarHBondContact CB-OG1 3.41Å; P302-T382 HydrophobicContact CG-CG2 3.73Å; V369-T382 VanDerWaalsContact CG2-C 3.45Å; V369-T382 VanDerWaalsContact CG2-O 3.28Å; V369-T382 WeakPolarHBondContact CG2-O 3.25Å; T382-D384 VanDerWaalsContact C-N 3.25Å; T382-D384 PolarHBondContact O-N 3Å; T382-E385 PolarHBondContact N-OE2 3.41Å; T382-E385 WeakPolarHBondContact OG1-CB 3.23Å; T382-E385 WeakPolarHBondContact OG1-CG 3.47Å; T382-E385 PolarHBondContact OG1-N 2.8Å; T382-E385 PolarHBondContact OG1-OE2 2.94Å; T382-L386 PolarHBondContact O-N 3.19Å
383	V	92.9	Very high	86.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69.1	-29.2	177.3	176.3	0	0	0	0	110.6	E222 I305 L308 L332 L341 V360 V369 L386 I387	E222-V383 PolarHBondContact OE1-N 3.13Å; I305-V383 HydrophobicContact CD1-CB 4.2Å; I305-V383 HydrophobicContact CD1-CG2 3.59Å; I305-V383 HydrophobicContact CG1-CB 3.69Å; I305-V383 HydrophobicContact CG1-CG1 4.35Å; I305-V383 HydrophobicContact CG1-CG2 3.68Å; L308-V383 HydrophobicContact CD1-CB 4.48Å; L308-V383 HydrophobicContact CD1-CG1 4.23Å; L332-V383 HydrophobicContact CD1-CG1 3.64Å; L332-V383 HydrophobicContact CD2-CG1 4.47Å; L341-V383 HydrophobicContact CD2-CG2 4.36Å; V360-V383 HydrophobicContact CG1-CG2 3.86Å; V369-V383 HydrophobicContact CB-CG2 4.36Å; V369-V383 HydrophobicContact CG1-CG2 4.2Å; V369-V383 HydrophobicContact CG2-CG2 4.3Å; V383-L386 PolarHBondContact O-N 3.06Å; V383-I387 HydrophobicContact CG1-CG1 3.9Å; V383-I387 WeakPolarHBondContact O-CB 3.4Å; V383-I387 WeakPolarHBondContact O-CG1 3.34Å; V383-I387 PolarHBondContact O-N 3.24Å
384	D	90.9	Very high	86.5	Confident	13 Å²	13	42.5 Å²	42.5	7%	0.07	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-51.3	175.5	-157.7	12.5	0	0	0	111.5	P302 R303 L308 T382 L386 I387 A388	P302-D384 HydrophobicContact CB-CB 4.18Å; R303-D384 WeakPolarHBondContact CB-OD2 3.28Å; R303-D384 PolarHBondContact N-OD2 2.83Å; R303-D384 WeakPolarHBondContact O-CB 3.33Å; L308-D384 HydrophobicContact CD2-CB 3.82Å; L308-D384 WeakPolarHBondContact CD2-OD1 3.42Å; T382-D384 VanDerWaalsContact C-N 3.25Å; T382-D384 PolarHBondContact O-N 3Å; D384-L386 VanDerWaalsContact C-N 3.33Å; D384-L386 PolarHBondContact O-N 3.5Å; D384-I387 PolarHBondContact O-N 3.43Å; D384-A388 VanDerWaalsContact O-CB 3.3Å; D384-A388 WeakPolarHBondContact O-CB 3.43Å; D384-A388 PolarHBondContact O-N 3Å
385	E	88.1	Confident	86.5	Confident	18 Å²	18	37.5 Å²	37.5	8%	0.084	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-41.8	177.1	-66.9	164.8	139.3	0	0	111.8	L297 P302 Y380 T382 A388 Y389	L297-E385 HydrophobicContact CD1-CG 3.69Å; L297-E385 HydrophobicContact CG-CG 4.45Å; P302-E385 HydrophobicContact CB-CG 4.19Å; Y380-E385 HydrophobicContact CD1-CB 3.56Å; Y380-E385 HydrophobicContact CE1-CB 4.16Å; Y380-E385 HydrophobicContact CG-CB 4.3Å; T382-E385 PolarHBondContact N-OE2 3.41Å; T382-E385 WeakPolarHBondContact OG1-CB 3.23Å; T382-E385 WeakPolarHBondContact OG1-CG 3.47Å; T382-E385 PolarHBondContact OG1-N 2.8Å; T382-E385 PolarHBondContact OG1-OE2 2.94Å; E385-A388 PolarHBondContact O-N 3.37Å; E385-Y389 WeakPolarHBondContact O-CB 3.3Å; E385-Y389 PolarHBondContact O-N 3.38Å
386	L	90.3	Very high	86.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-50.4	177.7	-179.1	65.8	0	0	0	110.7	V369 I371 Y380 T382 V383 D384 A388 Y389 Y390	V369-L386 HydrophobicContact CB-CD2 4.41Å; V369-L386 HydrophobicContact CG2-CB 4.2Å; V369-L386 HydrophobicContact CG2-CD2 4.15Å; I371-L386 HydrophobicContact CD1-CD2 4.05Å; I371-L386 HydrophobicContact CD1-CG 4.48Å; I371-L386 HydrophobicContact CG1-CD2 4Å; Y380-L386 HydrophobicContact CD2-CB 4.46Å; Y380-L386 HydrophobicContact CD2-CD1 3.8Å; Y380-L386 HydrophobicContact CE2-CD1 4.48Å; T382-L386 PolarHBondContact O-N 3.19Å; V383-L386 PolarHBondContact O-N 3.06Å; D384-L386 VanDerWaalsContact C-N 3.33Å; D384-L386 PolarHBondContact O-N 3.5Å; L386-A388 VanDerWaalsContact C-N 3.34Å; L386-A388 PolarHBondContact O-N 3.45Å; L386-Y389 WeakPolarHBondContact O-CB 3.39Å; L386-Y389 PolarHBondContact O-N 3.43Å; L386-Y390 HydrophobicContact CD1-CD2 4.15Å; L386-Y390 HydrophobicContact CD1-CE2 3.87Å; L386-Y390 HydrophobicContact CG-CD2 4.16Å; L386-Y390 HydrophobicContact CG-CE2 4.12Å; L386-Y390 VanDerWaalsContact O-CD2 3.28Å; L386-Y390 WeakPolarHBondContact O-CD2 3.35Å; L386-Y390 PolarHBondContact O-N 3.1Å
387	I	91.2	Very high	87.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-39.5	179.8	-64.8	-66.9	0	0	0	110.7	Y310 F330 I371 V383 D384 Y389 Y390 Q391 L414	Y310-I387 HydrophobicContact CE2-CG1 4.34Å; Y310-I387 HydrophobicContact CE2-CG2 4.1Å; Y310-I387 WeakPolarHBondContact OH-CG2 3.15Å; F330-I387 HydrophobicContact CE2-CG2 3.8Å; F330-I387 HydrophobicContact CZ-CG2 3.83Å; I371-I387 HydrophobicContact CD1-CD1 4.19Å; V383-I387 HydrophobicContact CG1-CG1 3.9Å; V383-I387 WeakPolarHBondContact O-CB 3.4Å; V383-I387 WeakPolarHBondContact O-CG1 3.34Å; V383-I387 PolarHBondContact O-N 3.24Å; D384-I387 PolarHBondContact O-N 3.43Å; I387-Y389 VanDerWaalsContact C-N 3.31Å; I387-Y389 PolarHBondContact O-N 3.03Å; I387-Y390 WeakPolarHBondContact O-CA 3.45Å; I387-Y390 WeakPolarHBondContact O-CB 3.44Å; I387-Y390 PolarHBondContact O-N 3.17Å; I387-Y390 VanDerWaalsContact O-N 3.07Å; I387-Q391 HydrophobicContact CG2-CG 4.33Å; I387-Q391 WeakPolarHBondContact O-CG 3.23Å; I387-Q391 PolarHBondContact O-N 3.49Å; I387-L414 HydrophobicContact CD1-CD1 3.57Å; I387-L414 HydrophobicContact CG2-CD1 4.47Å
388	A	85.9	Confident	87.3	Confident	8 Å²	8	31.4 Å²	31.4	7%	0.066	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-40.1	175	0	0	0	0	0	112.1	L296 L297 D384 E385 L386 Q391 T392	L296-A388 HydrophobicContact CB-CB 4.13Å; L297-A388 HydrophobicContact CD2-CB 3.54Å; L297-A388 HydrophobicContact CG-CB 4.36Å; D384-A388 VanDerWaalsContact O-CB 3.3Å; D384-A388 WeakPolarHBondContact O-CB 3.43Å; D384-A388 PolarHBondContact O-N 3Å; E385-A388 PolarHBondContact O-N 3.37Å; L386-A388 VanDerWaalsContact C-N 3.34Å; L386-A388 PolarHBondContact O-N 3.45Å; A388-Q391 PolarHBondContact O-N 2.91Å; A388-T392 WeakPolarHBondContact O-CB 3.5Å; A388-T392 PolarHBondContact O-N 3.02Å; A388-T392 PolarHBondContact O-OG1 3.36Å
389	Y	85.6	Confident	86.7	Confident	42 Å²	42	33.1 Å²	33.1	17%	0.165	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-46	171.2	164.8	-99.8	0	0	0	111.8	L378 Y380 E385 L386 I387 Q391 Y393 V395	L378-Y389 HydrophobicContact CD1-CD1 3.99Å; L378-Y389 HydrophobicContact CD1-CE1 3.46Å; L378-Y389 VanDerWaalsContact CD1-CE1 3.46Å; L378-Y389 HydrophobicContact CD1-CE2 4.34Å; Y380-Y389 HydrophobicContact CE2-CD1 4.09Å; Y380-Y389 HydrophobicContact CE2-CD2 4.18Å; Y380-Y389 AromaticContact CE2-CG 3.75Å; Y380-Y389 HydrophobicContact CE2-CG 3.75Å; Y380-Y389 AromaticContact CZ-CG 3.98Å; Y380-Y389 VanDerWaalsContact OH-CD2 3.29Å; Y380-Y389 WeakPolarHBondContact OH-CD2 3.39Å; E385-Y389 WeakPolarHBondContact O-CB 3.3Å; E385-Y389 PolarHBondContact O-N 3.38Å; L386-Y389 WeakPolarHBondContact O-CB 3.39Å; L386-Y389 PolarHBondContact O-N 3.43Å; I387-Y389 VanDerWaalsContact C-N 3.31Å; I387-Y389 PolarHBondContact O-N 3.03Å; Y389-Q391 PolarHBondContact O-N 3.38Å; Y389-Y393 AromaticContact CD2-CD2 3.37Å; Y389-Y393 HydrophobicContact CD2-CD2 3.37Å; Y389-Y393 AromaticContact CD2-CE2 3.7Å; Y389-Y393 HydrophobicContact CD2-CE2 3.7Å; Y389-Y393 AromaticContact CE2-CD2 3.6Å; Y389-Y393 HydrophobicContact CE2-CD2 3.6Å; Y389-Y393 HydrophobicContact CE2-CE2 4.07Å; Y389-Y393 HydrophobicContact CE2-CG 4.48Å; Y389-Y393 HydrophobicContact CG-CD2 4.29Å; Y389-Y393 WeakPolarHBondContact O-CD2 3.3Å; Y389-Y393 PolarHBondContact O-N 2.71Å; Y389-Y393 VanDerWaalsContact O-N 3.14Å; Y389-V395 HydrophobicContact CD1-CG2 4.46Å; Y389-V395 HydrophobicContact CE1-CB 4.45Å; Y389-V395 HydrophobicContact CE1-CG1 4.25Å; Y389-V395 HydrophobicContact CE1-CG2 3.9Å
390	Y	87.1	Confident	85.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-45.8	178.6	-93.3	-87	0	0	0	112.9	I371 R372 D375 L386 I387 A394 V395 I397 L414	I371-Y390 HydrophobicContact CB-CE2 4.15Å; I371-Y390 WeakPolarHBondContact CB-OH 3.06Å; I371-Y390 HydrophobicContact CD1-CD2 4.15Å; I371-Y390 HydrophobicContact CD1-CE2 3.72Å; I371-Y390 HydrophobicContact CG1-CE2 4.43Å; R372-Y390 WeakPolarHBondContact CG-OH 3.48Å; R372-Y390 PolarHBondContact NE-OH 3.18Å; R372-Y390 VanDerWaalsContact NE-OH 3.09Å; D375-Y390 PolarHBondContact OD2-OH 3.36Å; L386-Y390 HydrophobicContact CD1-CD2 4.15Å; L386-Y390 HydrophobicContact CD1-CE2 3.87Å; L386-Y390 HydrophobicContact CG-CD2 4.16Å; L386-Y390 HydrophobicContact CG-CE2 4.12Å; L386-Y390 VanDerWaalsContact O-CD2 3.28Å; L386-Y390 WeakPolarHBondContact O-CD2 3.35Å; L386-Y390 PolarHBondContact O-N 3.1Å; I387-Y390 WeakPolarHBondContact O-CA 3.45Å; I387-Y390 WeakPolarHBondContact O-CB 3.44Å; I387-Y390 PolarHBondContact O-N 3.17Å; I387-Y390 VanDerWaalsContact O-N 3.07Å; Y390-A394 WeakPolarHBondContact O-CA 3.47Å; Y390-A394 PolarHBondContact O-N 3.4Å; Y390-A394 VanDerWaalsContact O-N 3.17Å; Y390-V395 HydrophobicContact CD1-CB 3.75Å; Y390-V395 HydrophobicContact CD1-CG1 3.93Å; Y390-V395 VanDerWaalsContact CD1-O 3.22Å; Y390-V395 WeakPolarHBondContact CD1-O 3.44Å; Y390-V395 HydrophobicContact CE1-CB 4.1Å; Y390-V395 HydrophobicContact CE1-CG1 3.73Å; Y390-V395 HydrophobicContact CG-CB 4.36Å; Y390-V395 PolarHBondContact O-N 2.96Å; Y390-I397 HydrophobicContact CD1-CG2 3.95Å; Y390-I397 HydrophobicContact CE1-CB 4.38Å; Y390-I397 HydrophobicContact CE1-CG2 3.75Å; Y390-L414 HydrophobicContact CD1-CD1 4.49Å; Y390-L414 HydrophobicContact CG-CD1 4.25Å
391	Q	85.6	Confident	84.2	Confident	65 Å²	65	34.4 Å²	34.4	30%	0.304	20%	0.201	S	C	.	.	H	α-helix	trans	-70.2	-47.8	179.4	-66.9	-173.5	-79.5	0	0	111.6	F330 I387 A388 Y389 Y393 A394 L414 R415	F330-Q391 HydrophobicContact CE1-CG 4.34Å; F330-Q391 HydrophobicContact CZ-CG 4.27Å; I387-Q391 HydrophobicContact CG2-CG 4.33Å; I387-Q391 WeakPolarHBondContact O-CG 3.23Å; I387-Q391 PolarHBondContact O-N 3.49Å; A388-Q391 PolarHBondContact O-N 2.91Å; Y389-Q391 PolarHBondContact O-N 3.38Å; Q391-Y393 PolarHBondContact O-N 3.46Å; Q391-A394 PolarHBondContact O-N 3.37Å; Q391-L414 HydrophobicContact CG-CB 4.23Å; Q391-R415 PolarHBondContact NE2-O 3.43Å; Q391-R415 VanDerWaalsContact NE2-O 3.16Å
392	T	80	Confident	82.7	Confident	81 Å²	81	43.1 Å²	43.1	50%	0.497	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-43	-174.5	-60.6	0	0	0	0	112.1	L296 A388	L296-T392 HydrophobicContact CD2-CG2 3.94Å; A388-T392 WeakPolarHBondContact O-CB 3.5Å; A388-T392 PolarHBondContact O-N 3.02Å; A388-T392 PolarHBondContact O-OG1 3.36Å
393	Y	81.7	Confident	81	Confident	134 Å²	134	46.4 Å²	46.4	53%	0.525	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	11.3	-177.7	-59.6	-67.8	0	0	0	113.6	L296 Y389 Q391 V395	L296-Y393 HydrophobicContact CD2-CD2 4.42Å; L296-Y393 HydrophobicContact CD2-CE2 3.76Å; Y389-Y393 AromaticContact CD2-CD2 3.37Å; Y389-Y393 HydrophobicContact CD2-CD2 3.37Å; Y389-Y393 AromaticContact CD2-CE2 3.7Å; Y389-Y393 HydrophobicContact CD2-CE2 3.7Å; Y389-Y393 AromaticContact CE2-CD2 3.6Å; Y389-Y393 HydrophobicContact CE2-CD2 3.6Å; Y389-Y393 HydrophobicContact CE2-CE2 4.07Å; Y389-Y393 HydrophobicContact CE2-CG 4.48Å; Y389-Y393 HydrophobicContact CG-CD2 4.29Å; Y389-Y393 WeakPolarHBondContact O-CD2 3.3Å; Y389-Y393 PolarHBondContact O-N 2.71Å; Y389-Y393 VanDerWaalsContact O-N 3.14Å; Q391-Y393 PolarHBondContact O-N 3.46Å; Y393-V395 PolarHBondContact O-N 2.94Å
394	A	84	Confident	79.3	Confident	50 Å²	50	50.1 Å²	50.1	41%	0.413	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	45.2	-179.9	0	0	0	0	0	113.1	Y390 Q391 V413	Y390-A394 WeakPolarHBondContact O-CA 3.47Å; Y390-A394 PolarHBondContact O-N 3.4Å; Y390-A394 VanDerWaalsContact O-N 3.17Å; Q391-A394 PolarHBondContact O-N 3.37Å; A394-V413 VanDerWaalsContact CA-CG1 3.47Å; A394-V413 HydrophobicContact CB-CG1 3.9Å; A394-V413 WeakPolarHBondContact O-CG2 3.26Å
395	V	86.9	Confident	77.7	Confident	13 Å²	13	55.7 Å²	55.7	8%	0.079	31%	0.312	C	S	.	.			trans	-78.8	131.3	-172.7	-179.4	0	0	0	0	109.3	Y389 Y390 Y393	Y389-V395 HydrophobicContact CD1-CG2 4.46Å; Y389-V395 HydrophobicContact CE1-CB 4.45Å; Y389-V395 HydrophobicContact CE1-CG1 4.25Å; Y389-V395 HydrophobicContact CE1-CG2 3.9Å; Y390-V395 HydrophobicContact CD1-CB 3.75Å; Y390-V395 HydrophobicContact CD1-CG1 3.93Å; Y390-V395 VanDerWaalsContact CD1-O 3.22Å; Y390-V395 WeakPolarHBondContact CD1-O 3.44Å; Y390-V395 HydrophobicContact CE1-CB 4.1Å; Y390-V395 HydrophobicContact CE1-CG1 3.73Å; Y390-V395 HydrophobicContact CG-CB 4.36Å; Y390-V395 PolarHBondContact O-N 2.96Å; Y393-V395 PolarHBondContact O-N 2.94Å
396	P	90	Very high	76.2	Confident	19 Å²	19	58.9 Å²	58.9	12%	0.123	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-75.5	139.9	177.8	27.4	-32.6	0	0	0	111.5	R372 Q398 E412	R372-P396 WeakPolarHBondContact CD-O 3.26Å; R372-P396 PolarHBondContact NH1-O 3.3Å; P396-Q398 VanDerWaalsContact C-N 3.27Å; P396-Q398 PolarHBondContact O-N 2.85Å; P396-E412 CarbonylContact C-O 3.57Å; P396-E412 VanDerWaalsContact CA-O 3.29Å; P396-E412 WeakPolarHBondContact CA-O 3.22Å
397	I	90.7	Very high	75	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.359	C	S	.	.	S	Bend	trans	-73.9	-15.8	178.8	65.8	175.9	0	0	0	113.6	L345 H356 R358 I371 R372 Y390 E412 L414	L345-I397 HydrophobicContact CB-CD1 3.8Å; L345-I397 HydrophobicContact CD2-CD1 4.02Å; L345-I397 HydrophobicContact CD2-CG1 4.43Å; H356-I397 HydrophobicContact CB-CD1 4.13Å; R358-I397 HydrophobicContact CG-CB 4.14Å; R358-I397 HydrophobicContact CG-CD1 4.05Å; R358-I397 HydrophobicContact CG-CG1 4.18Å; R358-I397 PolarHBondContact NE-O 3.45Å; I371-I397 HydrophobicContact CG2-CB 4.49Å; R372-I397 WeakPolarHBondContact CG-O 3.33Å; Y390-I397 HydrophobicContact CD1-CG2 3.95Å; Y390-I397 HydrophobicContact CE1-CB 4.38Å; Y390-I397 HydrophobicContact CE1-CG2 3.75Å; I397-E412 HydrophobicContact CG1-CB 3.93Å; I397-E412 PolarHBondContact N-O 2.73Å; I397-L414 HydrophobicContact CG2-CD1 4.2Å; I397-L414 HydrophobicContact CG2-CD2 3.74Å; I397-L414 HydrophobicContact CG2-CG 3.8Å
398	Q	85.6	Confident	73.8	Confident	62 Å²	62	67 Å²	67	29%	0.29	38%	0.381	S	S	.	.	S	Bend	trans	-76.2	147.9	174.4	-156.5	179.8	6.3	0	0	112.9	R372 P396 E412	R372-Q398 WeakPolarHBondContact CD-O 3.2Å; P396-Q398 VanDerWaalsContact C-N 3.27Å; P396-Q398 PolarHBondContact O-N 2.85Å; Q398-E412 WeakPolarHBondContact CB-OE2 3.4Å; Q398-E412 PolarHBondContact OE1-OE1 3.06Å
399	E	72.4	Confident	73.1	Confident	90 Å²	90	70.2 Å²	70.2	42%	0.421	41%	0.408	S	S	.	.	S	Bend	trans	-88.6	145.7	166.2	-70.2	-170.7	170.9	0	0	112.4	R372 D373 A401	R372-E399 WeakPolarHBondContact CA-OE1 3.44Å; R372-E399 HydrophobicContact CB-CG 3.76Å; R372-E399 WeakPolarHBondContact CB-OE1 3.11Å; R372-E399 HydrophobicContact CG-CG 3.83Å; D373-E399 WeakPolarHBondContact CB-OE1 3.4Å; D373-E399 PolarHBondContact N-OE1 3.49Å; E399-A401 PolarHBondContact O-N 3.02Å
400	G	61.1	Low	72.6	Confident	80 Å²	80	71.3 Å²	71.3	83%	0.825	42%	0.416	S	S	*	.	S	Bend	trans	81.6	-5.4	159.8	0	0	0	0	0	118.6	Q402	G400-Q402 PolarHBondContact O-N 2.86Å
401	A	58	Low	72.4	Confident	39 Å²	39	73.6 Å²	73.6	32%	0.322	43%	0.426	S	S	.	.			trans	-76.9	120.3	176.1	0	0	0	0	0	111.8	E399 W403	E399-A401 PolarHBondContact O-N 3.02Å; A401-W403 HydrophobicContact CB-CD2 4.27Å; A401-W403 VanDerWaalsContact CB-CE2 3.5Å; A401-W403 HydrophobicContact CB-CH2 4.36Å; A401-W403 HydrophobicContact CB-CZ2 3.56Å; A401-W403 PolarHBondContact O-N 2.77Å; A401-W403 PolarHBondContact O-NE1 2.85Å
402	Q	57	Low	72.5	Confident	191 Å²	191	70.6 Å²	70.6	89%	0.893	41%	0.412	S	S	*	.			trans	-76	106.6	165.6	-80.3	-173.9	-18.2	0	0	108.8	G400	G400-Q402 PolarHBondContact O-N 2.86Å
403	W	55.6	Low	73	Confident	70 Å²	70	67 Å²	67	27%	0.265	39%	0.39	S	S	.	.			trans	-88.1	120.9	-178.9	-59.5	96.9	0	0	0	110.6	A401 N407 N410 K411	A401-W403 HydrophobicContact CB-CD2 4.27Å; A401-W403 VanDerWaalsContact CB-CE2 3.5Å; A401-W403 HydrophobicContact CB-CH2 4.36Å; A401-W403 HydrophobicContact CB-CZ2 3.56Å; A401-W403 PolarHBondContact O-N 2.77Å; A401-W403 PolarHBondContact O-NE1 2.85Å; W403-N407 HydrophobicContact CE3-CB 4.14Å; W403-N410 WeakPolarHBondContact CH2-O 3.41Å; W403-N410 HydrophobicContact CZ3-CB 4.11Å; W403-K411 HydrophobicContact CD2-CG 3.65Å; W403-K411 HydrophobicContact CE3-CG 3.65Å; W403-K411 HydrophobicContact CG-CG 4.1Å; W403-K411 HydrophobicContact CH2-CG 4.48Å; W403-K411 HydrophobicContact CZ2-CG 4.48Å; W403-K411 HydrophobicContact CZ3-CG 4.08Å
404	T	57.5	Low	73.4	Confident	77 Å²	77	60.7 Å²	60.7	47%	0.472	37%	0.366	S	S	.	.			trans	-90.2	163.6	167.3	59.7	0	0	0	0	110	A406 N407	T404-A406 PolarHBondContact O-N 3.26Å; T404-A406 VanDerWaalsContact O-N 3.17Å; T404-N407 PolarHBondContact O-N 2.91Å
405	T	58.2	Low	73.4	Confident	131 Å²	131	64 Å²	64	80%	0.804	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-56.7	-27.9	173.6	40.8	0	0	0	0	112.9	N407	T405-N407 VanDerWaalsContact C-N 3.29Å; T405-N407 PolarHBondContact O-N 2.87Å
406	A	55.2	Low	73.4	Confident	84 Å²	84	69.5 Å²	69.5	69%	0.694	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-69.5	-22.3	176.5	0	0	0	0	0	113.8	T404	T404-A406 PolarHBondContact O-N 3.26Å; T404-A406 VanDerWaalsContact O-N 3.17Å
407	N	65.4	Low	73.2	Confident	73 Å²	73	71.1 Å²	71.1	39%	0.39	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-112.2	9.9	-171.9	-62.8	6.1	0	0	0	113	W403 T404 T405 A409 N410	W403-N407 HydrophobicContact CE3-CB 4.14Å; T404-N407 PolarHBondContact O-N 2.91Å; T405-N407 VanDerWaalsContact C-N 3.29Å; T405-N407 PolarHBondContact O-N 2.87Å; N407-A409 VanDerWaalsContact C-N 3.26Å; N407-A409 PolarHBondContact O-N 3.3Å; N407-N410 PolarHBondContact O-N 2.7Å
408	E	67.2	Low	73	Confident	98 Å²	98	72.4 Å²	72.4	46%	0.458	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-61.9	-33.6	-177.3	-69	-159.2	116.8	0	0	113.6	N410 K411	E408-N410 PolarHBondContact O-N 3.41Å; E408-K411 HydrophobicContact CB-CD 4.44Å; E408-K411 WeakPolarHBondContact O-CB 3.25Å; E408-K411 WeakPolarHBondContact O-CG 3.23Å; E408-K411 PolarHBondContact O-N 2.92Å; E408-K411 IonicContact OE1-NZ 3.61Å; E408-K411 PolarHBondContact OE1-NZ 2.85Å
409	A	71.1	Confident	72.7	Confident	76 Å²	76	70.7 Å²	70.7	63%	0.628	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.7	175.7	0	0	0	0	0	112.5	K347 N407	K347-A409 WeakPolarHBondContact CE-O 3.23Å; K347-A409 PolarHBondContact NZ-O 3.35Å; N407-A409 VanDerWaalsContact C-N 3.26Å; N407-A409 PolarHBondContact O-N 3.3Å
410	N	75.3	Confident	72.9	Confident	64 Å²	64	66.4 Å²	66.4	34%	0.342	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-92.4	1.8	-177.7	-70.2	-12.6	0	0	0	113.8	W403 N407 E408 E412	W403-N410 WeakPolarHBondContact CH2-O 3.41Å; W403-N410 HydrophobicContact CZ3-CB 4.11Å; N407-N410 PolarHBondContact O-N 2.7Å; E408-N410 PolarHBondContact O-N 3.41Å; N410-E412 PolarHBondContact O-N 3.38Å
411	K	82.3	Confident	73	Confident	48 Å²	48	65.2 Å²	65.2	21%	0.209	36%	0.358	C	S	.	.			trans	-63.4	129.7	177.5	-70.7	172.9	173	172	0	110.4	W403 E408 V413	W403-K411 HydrophobicContact CD2-CG 3.65Å; W403-K411 HydrophobicContact CE3-CG 3.65Å; W403-K411 HydrophobicContact CG-CG 4.1Å; W403-K411 HydrophobicContact CH2-CG 4.48Å; W403-K411 HydrophobicContact CZ2-CG 4.48Å; W403-K411 HydrophobicContact CZ3-CG 4.08Å; E408-K411 HydrophobicContact CB-CD 4.44Å; E408-K411 WeakPolarHBondContact O-CB 3.25Å; E408-K411 WeakPolarHBondContact O-CG 3.23Å; E408-K411 PolarHBondContact O-N 2.92Å; E408-K411 IonicContact OE1-NZ 3.61Å; E408-K411 PolarHBondContact OE1-NZ 2.85Å; K411-V413 HydrophobicContact CB-CG2 3.68Å; K411-V413 PolarHBondContact O-N 2.7Å
412	E	88.2	Confident	73.1	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.009	36%	0.362	C	S	.	.			trans	-78.5	69.1	176.8	-64.6	171.1	-158.7	0	0	110.3	L345 R349 H356 R358 P396 I397 Q398 N410	L345-E412 VanDerWaalsContact CD2-CA 3.42Å; L345-E412 HydrophobicContact CD2-CB 3.65Å; L345-E412 HydrophobicContact CD2-CG 4.45Å; R349-E412 IonicContact CZ-OE1 2.72Å; R349-E412 IonicContact NH1-OE1 3.91Å; R349-E412 IonicContact NH2-OE1 3.13Å; R349-E412 PolarHBondContact NH2-OE1 2.76Å; H356-E412 IonicContact CD2-OE1 2.69Å; H356-E412 IonicContact CE1-OE1 2.67Å; H356-E412 IonicContact CG-OE2 2.7Å; H356-E412 IonicContact ND1-OE1 3.16Å; H356-E412 IonicContact NE2-OE1 2.91Å; R358-E412 IonicContact NH2-OE2 2.66Å; R358-E412 PolarHBondContact NH2-OE2 3.22Å; P396-E412 CarbonylContact C-O 3.57Å; P396-E412 VanDerWaalsContact CA-O 3.29Å; P396-E412 WeakPolarHBondContact CA-O 3.22Å; I397-E412 HydrophobicContact CG1-CB 3.93Å; I397-E412 PolarHBondContact N-O 2.73Å; Q398-E412 WeakPolarHBondContact CB-OE2 3.4Å; Q398-E412 PolarHBondContact OE1-OE1 3.06Å; N410-E412 PolarHBondContact O-N 3.38Å
413	V	89.9	Confident	73.1	Confident	6 Å²	6	58.8 Å²	58.8	4%	0.036	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-102.1	133.6	-175.4	-178	0	0	0	0	110.7	L345 A394 K411 R415	L345-V413 WeakPolarHBondContact CD1-O 3.15Å; A394-V413 VanDerWaalsContact CA-CG1 3.47Å; A394-V413 HydrophobicContact CB-CG1 3.9Å; A394-V413 WeakPolarHBondContact O-CG2 3.26Å; K411-V413 HydrophobicContact CB-CG2 3.68Å; K411-V413 PolarHBondContact O-N 2.7Å; V413-R415 HydrophobicContact CG1-CG 4.34Å; V413-R415 PolarHBondContact O-N 3.25Å
414	L	89.5	Confident	73.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	32%	0.321	C	S	.	.			trans	-67.3	113.8	170.9	-52	-174.6	0	0	0	109.3	F330 V343 L345 I387 Y390 Q391 I397	F330-L414 HydrophobicContact CB-CD2 3.75Å; F330-L414 HydrophobicContact CD1-CB 3.74Å; F330-L414 HydrophobicContact CD1-CD2 4.36Å; F330-L414 HydrophobicContact CD2-CB 4.38Å; F330-L414 HydrophobicContact CD2-CD1 4.25Å; F330-L414 HydrophobicContact CD2-CD2 4.14Å; F330-L414 HydrophobicContact CD2-CG 4.49Å; F330-L414 HydrophobicContact CE1-CB 3.82Å; F330-L414 HydrophobicContact CE2-CB 4.47Å; F330-L414 HydrophobicContact CE2-CD1 4.3Å; F330-L414 HydrophobicContact CG-CB 4.03Å; F330-L414 HydrophobicContact CG-CD2 3.84Å; F330-L414 HydrophobicContact CG-CG 4.36Å; F330-L414 HydrophobicContact CZ-CB 4.18Å; V343-L414 HydrophobicContact CG2-CD1 4.13Å; V343-L414 HydrophobicContact CG2-CD2 3.91Å; L345-L414 HydrophobicContact CB-CD2 4.16Å; L345-L414 HydrophobicContact CD1-CD2 4.14Å; I387-L414 HydrophobicContact CD1-CD1 3.57Å; I387-L414 HydrophobicContact CG2-CD1 4.47Å; Y390-L414 HydrophobicContact CD1-CD1 4.49Å; Y390-L414 HydrophobicContact CG-CD1 4.25Å; Q391-L414 HydrophobicContact CG-CB 4.23Å; I397-L414 HydrophobicContact CG2-CD1 4.2Å; I397-L414 HydrophobicContact CG2-CD2 3.74Å; I397-L414 HydrophobicContact CG2-CG 3.8Å
415	R	84.7	Confident	73.5	Confident	119 Å²	119	58.6 Å²	58.6	45%	0.449	32%	0.324	S	S	.	.			trans	-115.4	-59	-178.7	-67.8	-178.5	-178.2	-113.9	1.4	111.8	G328 Q391 V413 P417	G328-R415 PolarHBondContact O-N 3.43Å; G328-R415 VanDerWaalsContact O-N 3.1Å; Q391-R415 PolarHBondContact NE2-O 3.43Å; Q391-R415 VanDerWaalsContact NE2-O 3.16Å; V413-R415 HydrophobicContact CG1-CG 4.34Å; V413-R415 PolarHBondContact O-N 3.25Å; R415-P417 WeakPolarHBondContact O-CD 3.46Å
416	Y	86	Confident	74	Confident	130 Å²	130	53.7 Å²	53.7	51%	0.51	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	101.4	-167.5	-50.3	-60.9	0	0	0	109.7	D327 G328 D329 F330 V418	D327-Y416 WeakPolarHBondContact O-CD2 3.5Å; D327-Y416 WeakPolarHBondContact O-CE2 3.46Å; G328-Y416 PolarHBondContact O-N 3.19Å; D329-Y416 CarbonylContact C-O 3.52Å; D329-Y416 VanDerWaalsContact CA-O 3.28Å; D329-Y416 WeakPolarHBondContact CA-O 3.29Å; D329-Y416 WeakPolarHBondContact OD1-CB 3.25Å; F330-Y416 WeakPolarHBondContact CD1-O 3.33Å; F330-Y416 PolarHBondContact N-O 3.47Å; Y416-V418 PolarHBondContact O-N 2.97Å
417	P	87.4	Confident	74.8	Confident	52 Å²	52	49.7 Å²	49.7	34%	0.338	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	122.8	178.6	23.3	-28	0	0	0	110.1	Y310 F330 R415 T419	Y310-P417 HydrophobicContact CD1-CB 3.49Å; Y310-P417 VanDerWaalsContact CD1-CB 3.49Å; Y310-P417 HydrophobicContact CD1-CG 4.33Å; Y310-P417 HydrophobicContact CE1-CB 4.29Å; Y310-P417 HydrophobicContact CG-CB 3.76Å; F330-P417 HydrophobicContact CE1-CB 3.77Å; F330-P417 HydrophobicContact CE1-CG 4.22Å; F330-P417 VanDerWaalsContact CE1-N 3.34Å; F330-P417 HydrophobicContact CE2-CB 4.2Å; F330-P417 HydrophobicContact CZ-CB 3.6Å; F330-P417 HydrophobicContact CZ-CG 4.25Å; R415-P417 WeakPolarHBondContact O-CD 3.46Å; P417-T419 PolarHBondContact O-N 2.96Å
418	V	84.8	Confident	75.3	Confident	28 Å²	28	48.4 Å²	48.4	17%	0.17	25%	0.252	C	S	.	.			trans	-80.5	112.9	174.3	176.3	0	0	0	0	108.8	Y310 H312 L324 D329 F330 Y416	Y310-V418 WeakPolarHBondContact CA-O 3.28Å; Y310-V418 WeakPolarHBondContact CB-O 3.49Å; H312-V418 PolarHBondContact NE2-O 3.17Å; L324-V418 HydrophobicContact CD2-CB 4.25Å; L324-V418 HydrophobicContact CD2-CG2 3.73Å; D329-V418 HydrophobicContact CB-CG2 3.79Å; F330-V418 PolarHBondContact O-N 3.4Å; Y416-V418 PolarHBondContact O-N 2.97Å
419	T	79.2	Confident	76	Confident	25 Å²	25	45.5 Å²	45.5	15%	0.153	24%	0.239	C	C	.	.			trans	-68.6	137.4	-177.1	-57.4	0	0	0	0	110.7	V11 P309 P417 Q424	V11-T419 HydrophobicContact CG2-CG2 4.41Å; P309-T419 HydrophobicContact CB-CG2 4.15Å; P309-T419 CarbonylContact O-C 3.56Å; P309-T419 VanDerWaalsContact O-CA 3.26Å; P309-T419 WeakPolarHBondContact O-CA 3.45Å; P309-T419 WeakPolarHBondContact O-CG2 3.45Å; P417-T419 PolarHBondContact O-N 2.96Å; T419-Q424 HydrophobicContact CG2-CG 4.08Å
420	S	78	Confident	76.5	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.007	22%	0.218	C	C	.	.			trans	-73	133.1	179.6	-166	0	0	0	0	112.4	P309 F311 H312 T422 C423 Q424	P309-S420 PolarHBondContact O-N 2.73Å; F311-S420 VanDerWaalsContact O-CB 3.24Å; F311-S420 WeakPolarHBondContact O-CB 3.23Å; H312-S420 WeakPolarHBondContact CA-OG 3.49Å; H312-S420 WeakPolarHBondContact CE1-CA 2.98Å; H312-S420 PolarHBondContact ND1-OG 3.19Å; S420-T422 PolarHBondContact O-N 3.33Å; S420-T422 PolarHBondContact OG-N 3.36Å; S420-T422 PolarHBondContact OG-OG1 3.29Å; S420-C423 PolarHBondContact O-N 3.33Å; S420-Q424 PolarHBondContact O-N 3.42Å
421	C	63	Low	76.2	Confident	55 Å²	55	47.8 Å²	47.8	37%	0.372	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-23.3	172.3	69.4	0	0	0	0	111.9	Q424 K425	C421-Q424 CarbonylContact O-C 3.54Å; C421-Q424 PolarHBondContact O-N 2.92Å; C421-K425 WeakPolarHBondContact O-CA 3.47Å; C421-K425 WeakPolarHBondContact O-CB 3.25Å; C421-K425 WeakPolarHBondContact O-CD 3.46Å; C421-K425 WeakPolarHBondContact O-CG 3.05Å; C421-K425 PolarHBondContact O-N 2.78Å; C421-K425 VanDerWaalsContact SG-CE 3.57Å; C421-K425 PolarHBondContact SG-NZ 3.42Å
422	T	59.7	Low	75.5	Confident	66 Å²	66	48.1 Å²	48.1	41%	0.405	25%	0.249	S	C	.	.	H	α-helix	trans	-69.4	-47.4	175.4	41.6	0	0	0	0	111.5	S420 Q424 K425	S420-T422 PolarHBondContact O-N 3.33Å; S420-T422 PolarHBondContact OG-N 3.36Å; S420-T422 PolarHBondContact OG-OG1 3.29Å; T422-Q424 PolarHBondContact O-N 3.33Å; T422-K425 PolarHBondContact O-N 3.24Å
423	C	56.1	Low	74.2	Confident	28 Å²	28	53.2 Å²	53.2	19%	0.189	28%	0.28	C	S	.	.	H	α-helix	trans	-55.9	-39	172.6	-60.8	0	0	0	0	111.1	Y8 S420	Y8-C423 WeakPolarHBondContact CE1-O 3.38Å; S420-C423 PolarHBondContact O-N 3.33Å
424	Q	60.4	Low	73.5	Confident	23 Å²	23	58.1 Å²	58.1	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-76.5	-38.8	177.6	-71	-178.2	-13.2	0	0	113.4	V11 T419 S420 C421 T422 D426 I427 M428	V11-Q424 HydrophobicContact CG2-CG 4.34Å; T419-Q424 HydrophobicContact CG2-CG 4.08Å; S420-Q424 PolarHBondContact O-N 3.42Å; C421-Q424 CarbonylContact O-C 3.54Å; C421-Q424 PolarHBondContact O-N 2.92Å; T422-Q424 PolarHBondContact O-N 3.33Å; Q424-D426 PolarHBondContact O-N 3.44Å; Q424-I427 CarbonylContact O-C 3.5Å; Q424-I427 VanDerWaalsContact O-CG1 3.25Å; Q424-I427 WeakPolarHBondContact O-CG1 3.16Å; Q424-I427 PolarHBondContact O-N 3.14Å; Q424-M428 HydrophobicContact CB-CG 3.73Å; Q424-M428 HydrophobicContact CB-SD 4.34Å; Q424-M428 WeakPolarHBondContact O-CB 3.2Å; Q424-M428 WeakPolarHBondContact O-CG 3.27Å; Q424-M428 PolarHBondContact O-N 3.45Å
425	K	62.8	Low	73.1	Confident	120 Å²	120	63.3 Å²	63.3	52%	0.522	32%	0.321	S	S	.	.	H	α-helix	trans	-53.6	-36	-174.4	-87.9	162.8	-168	171.4	0	112.8	C421 T422 I427 K516	C421-K425 WeakPolarHBondContact O-CA 3.47Å; C421-K425 WeakPolarHBondContact O-CB 3.25Å; C421-K425 WeakPolarHBondContact O-CD 3.46Å; C421-K425 WeakPolarHBondContact O-CG 3.05Å; C421-K425 PolarHBondContact O-N 2.78Å; C421-K425 VanDerWaalsContact SG-CE 3.57Å; C421-K425 PolarHBondContact SG-NZ 3.42Å; T422-K425 PolarHBondContact O-N 3.24Å; K425-I427 PolarHBondContact O-N 3.38Å; K425-K516 PolarHBondContact O-NZ 2.89Å
426	D	67.6	Low	73	Confident	28 Å²	28	61.8 Å²	61.8	15%	0.15	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-21.5	179.4	-69.7	-43.2	0	0	0	113.5	Q424 K516 R533 N534 V535	Q424-D426 PolarHBondContact O-N 3.44Å; D426-K516 WeakPolarHBondContact O-CD 3.21Å; D426-K516 WeakPolarHBondContact O-CE 3.46Å; D426-K516 PolarHBondContact O-NZ 2.93Å; D426-R533 WeakPolarHBondContact CB-O 2.98Å; D426-N534 WeakPolarHBondContact OD1-CA 3.4Å; D426-V535 WeakPolarHBondContact OD1-CG1 3.37Å; D426-V535 PolarHBondContact OD1-N 3.19Å
427	I	71.9	Confident	73	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-11.6	178.8	59.3	162.6	0	0	0	114.3	Y8 V11 L25 P26 Q424 K425 V519 L520	Y8-I427 HydrophobicContact CD1-CD1 3.35Å; Y8-I427 HydrophobicContact CD1-CG1 4.28Å; Y8-I427 HydrophobicContact CE1-CD1 3.45Å; Y8-I427 VanDerWaalsContact CE1-CD1 3.45Å; Y8-I427 HydrophobicContact CE1-CG1 3.87Å; Y8-I427 HydrophobicContact CE1-CG2 3.99Å; Y8-I427 HydrophobicContact CE2-CG2 4.39Å; Y8-I427 HydrophobicContact CG-CD1 4.12Å; V11-I427 HydrophobicContact CG1-CD1 4.26Å; L25-I427 HydrophobicContact CD2-CD1 3.9Å; L25-I427 HydrophobicContact CD2-CG1 4.17Å; P26-I427 WeakPolarHBondContact CD-O 3.44Å; Q424-I427 CarbonylContact O-C 3.5Å; Q424-I427 VanDerWaalsContact O-CG1 3.25Å; Q424-I427 WeakPolarHBondContact O-CG1 3.16Å; Q424-I427 PolarHBondContact O-N 3.14Å; K425-I427 PolarHBondContact O-N 3.38Å; I427-V519 HydrophobicContact CG2-CB 4.45Å; I427-V519 HydrophobicContact CG2-CG1 3.78Å; I427-L520 HydrophobicContact CD1-CD1 4.1Å; I427-L520 HydrophobicContact CG2-CB 4.16Å; I427-L520 HydrophobicContact CG2-CD1 4.3Å
428	M	76.7	Confident	73	Confident	45 Å²	45	56 Å²	56	22%	0.222	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-72	134.9	178.9	-69.7	-84.1	-64.4	0	0	110.5	D24 L25 Q424 K516	D24-M428 HydrophobicContact CB-CE 3.72Å; D24-M428 HydrophobicContact CB-SD 4.26Å; D24-M428 CarbonylContact O-C 3.55Å; D24-M428 VanDerWaalsContact O-CA 3.3Å; D24-M428 WeakPolarHBondContact O-CA 3.38Å; D24-M428 WeakPolarHBondContact OD2-CE 3.25Å; L25-M428 HydrophobicContact CD2-SD 3.92Å; L25-M428 HydrophobicContact CG-SD 4.17Å; Q424-M428 HydrophobicContact CB-CG 3.73Å; Q424-M428 HydrophobicContact CB-SD 4.34Å; Q424-M428 WeakPolarHBondContact O-CB 3.2Å; Q424-M428 WeakPolarHBondContact O-CG 3.27Å; Q424-M428 PolarHBondContact O-N 3.45Å; M428-K516 WeakPolarHBondContact O-CE 3.42Å
429	L	81.8	Confident	73.1	Confident	38 Å²	38	56.7 Å²	56.7	20%	0.199	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-72.7	136	177.6	-59.2	-175.6	0	0	0	110.4	Q23 D24 P26 D512 G513 K516	Q23-L429 WeakPolarHBondContact O-CD1 3.13Å; D24-L429 PolarHBondContact O-N 2.77Å; P26-L429 HydrophobicContact CB-CD2 4.01Å; L429-D512 VanDerWaalsContact CA-OD2 3.25Å; L429-D512 WeakPolarHBondContact CA-OD2 3.27Å; L429-G513 VanDerWaalsContact CD2-CA 3.5Å; L429-K516 HydrophobicContact CD2-CB 3.91Å; L429-K516 HydrophobicContact CD2-CG 3.97Å
430	E	81.2	Confident	73.6	Confident	37 Å²	37	55.5 Å²	55.5	17%	0.173	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-83.7	137.6	167.1	-62.2	-172.1	-152.4	0	0	109.8	N432 L438 S439 Y440 D512	E430-N432 HydrophobicContact CB-CB 4.46Å; E430-N432 PolarHBondContact O-N 2.98Å; E430-N432 PolarHBondContact OE2-ND2 3.41Å; E430-L438 HydrophobicContact CB-CD2 4.06Å; E430-L438 VanDerWaalsContact OE2-CA 3.29Å; E430-L438 WeakPolarHBondContact OE2-CA 3.18Å; E430-S439 VanDerWaalsContact CD-N 3.3Å; E430-S439 WeakPolarHBondContact OE1-CB 3.48Å; E430-S439 PolarHBondContact OE1-N 3.17Å; E430-S439 PolarHBondContact OE1-OG 3.45Å; E430-S439 PolarHBondContact OE2-N 3.14Å; E430-Y440 WeakPolarHBondContact OE1-CD1 3.42Å; E430-D512 PolarHBondContact N-OD2 2.88Å
431	V	68.7	Low	74.2	Confident	150 Å²	150	57 Å²	57	91%	0.909	30%	0.295	S	S	*	.	S	Bend	trans	-71	21.5	179.8	-158.7	0	0	0	0	112.5
432	N	68.2	Low	75.5	Confident	55 Å²	55	55 Å²	55	29%	0.294	28%	0.281	S	S	.	.			trans	-102.5	116.3	-173.7	-70.5	-44.6	0	0	0	110.4	E430 F434 N437 L438	E430-N432 HydrophobicContact CB-CB 4.46Å; E430-N432 PolarHBondContact O-N 2.98Å; E430-N432 PolarHBondContact OE2-ND2 3.41Å; N432-F434 VanDerWaalsContact C-N 3.35Å; N432-N437 HydrophobicContact CB-CB 3.9Å; N432-N437 PolarHBondContact ND2-O 3.3Å; N432-L438 HydrophobicContact CB-CD2 4.24Å
433	T	61.5	Low	76.5	Confident	110 Å²	110	58 Å²	58	68%	0.675	29%	0.292	S	S	*	.	S	Bend	trans	-72.7	-29.3	176	51.4	0	0	0	0	112.5
434	F	73.6	Confident	77.7	Confident	108 Å²	108	60 Å²	60	47%	0.474	31%	0.306	S	S	.	.	S	Bend	trans	-99.4	133.6	-177.9	-64.2	-73.9	0	0	0	113.3	N432 Y436 N437	N432-F434 VanDerWaalsContact C-N 3.35Å; F434-Y436 VanDerWaalsContact C-N 3.25Å; F434-Y436 HydrophobicContact CB-CD1 4.07Å; F434-Y436 HydrophobicContact CB-CD2 4.21Å; F434-Y436 HydrophobicContact CB-CE1 3.54Å; F434-Y436 HydrophobicContact CB-CE2 3.7Å; F434-Y436 HydrophobicContact CB-CG 4.38Å; F434-Y436 AromaticContact CD1-CE1 3.94Å; F434-Y436 HydrophobicContact CD1-CE1 3.94Å; F434-Y436 AromaticContact CD1-CZ 3.93Å; F434-Y436 WeakPolarHBondContact CD1-OH 3.47Å; F434-Y436 WeakPolarHBondContact CD2-OH 3.43Å; F434-Y436 AromaticContact CG-CE1 3.89Å; F434-Y436 HydrophobicContact CG-CE1 3.89Å; F434-Y436 HydrophobicContact CG-CE2 4.22Å; F434-Y436 AromaticContact CG-CZ 3.52Å; F434-Y436 WeakPolarHBondContact CG-OH 3.48Å; F434-Y436 PolarHBondContact O-N 3.05Å; F434-Y436 VanDerWaalsContact O-N 3.13Å; F434-N437 PolarHBondContact O-N 3.2Å; F434-N437 VanDerWaalsContact O-N 3.08Å
435	R	81.8	Confident	79	Confident	111 Å²	111	59.8 Å²	59.8	42%	0.419	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.9	-176.3	72	-173.7	-170.3	-156.2	1	114.8	N437 L438 Y441 D470 L511	R435-N437 VanDerWaalsContact C-N 3.3Å; R435-N437 PolarHBondContact O-N 2.79Å; R435-L438 HydrophobicContact CB-CD1 4.25Å; R435-L438 WeakPolarHBondContact O-CB 3.4Å; R435-L438 WeakPolarHBondContact O-CG 3.47Å; R435-L438 PolarHBondContact O-N 2.66Å; R435-Y441 WeakPolarHBondContact O-CB 3.33Å; R435-D470 IonicContact CZ-OD2 2.67Å; R435-D470 IonicContact NE-OD2 2.78Å; R435-D470 PolarHBondContact NE-OD2 2.81Å; R435-D470 IonicContact NH2-OD1 3.44Å; R435-D470 IonicContact NH2-OD2 3.94Å; R435-D470 PolarHBondContact NH2-OD2 2.97Å; R435-L511 HydrophobicContact CB-CD2 3.85Å
436	Y	82.9	Confident	80.2	Confident	86 Å²	86	56.7 Å²	56.7	34%	0.337	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-22.5	-178.6	46.7	-100.2	0	0	0	113.5	F434 L438 K538	F434-Y436 VanDerWaalsContact C-N 3.25Å; F434-Y436 HydrophobicContact CB-CD1 4.07Å; F434-Y436 HydrophobicContact CB-CD2 4.21Å; F434-Y436 HydrophobicContact CB-CE1 3.54Å; F434-Y436 HydrophobicContact CB-CE2 3.7Å; F434-Y436 HydrophobicContact CB-CG 4.38Å; F434-Y436 AromaticContact CD1-CE1 3.94Å; F434-Y436 HydrophobicContact CD1-CE1 3.94Å; F434-Y436 AromaticContact CD1-CZ 3.93Å; F434-Y436 WeakPolarHBondContact CD1-OH 3.47Å; F434-Y436 WeakPolarHBondContact CD2-OH 3.43Å; F434-Y436 AromaticContact CG-CE1 3.89Å; F434-Y436 HydrophobicContact CG-CE1 3.89Å; F434-Y436 HydrophobicContact CG-CE2 4.22Å; F434-Y436 AromaticContact CG-CZ 3.52Å; F434-Y436 WeakPolarHBondContact CG-OH 3.48Å; F434-Y436 PolarHBondContact O-N 3.05Å; F434-Y436 VanDerWaalsContact O-N 3.13Å; Y436-L438 VanDerWaalsContact C-N 3.33Å; Y436-K538 PolarHBondContact O-NZ 2.91Å
437	N	85.5	Confident	81.3	Confident	59 Å²	59	58.9 Å²	58.9	32%	0.316	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-17.7	176.1	-72.1	-13.1	0	0	0	112.3	N432 F434 R435 S439	N432-N437 HydrophobicContact CB-CB 3.9Å; N432-N437 PolarHBondContact ND2-O 3.3Å; F434-N437 PolarHBondContact O-N 3.2Å; F434-N437 VanDerWaalsContact O-N 3.08Å; R435-N437 VanDerWaalsContact C-N 3.3Å; R435-N437 PolarHBondContact O-N 2.79Å; N437-S439 PolarHBondContact O-N 3.1Å
438	L	87.9	Confident	82.1	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	35%	0.345	C	S	.	.	S	Bend	trans	-53.9	137.1	176.7	-62.3	171.5	0	0	0	111	E430 N432 R435 Y436 Y440 Y441 L462 L511 D512 K538	E430-L438 HydrophobicContact CB-CD2 4.06Å; E430-L438 VanDerWaalsContact OE2-CA 3.29Å; E430-L438 WeakPolarHBondContact OE2-CA 3.18Å; N432-L438 HydrophobicContact CB-CD2 4.24Å; R435-L438 HydrophobicContact CB-CD1 4.25Å; R435-L438 WeakPolarHBondContact O-CB 3.4Å; R435-L438 WeakPolarHBondContact O-CG 3.47Å; R435-L438 PolarHBondContact O-N 2.66Å; Y436-L438 VanDerWaalsContact C-N 3.33Å; L438-Y440 HydrophobicContact CB-CD1 4.14Å; L438-Y440 HydrophobicContact CB-CE1 3.91Å; L438-Y440 HydrophobicContact CD1-CE1 4.29Å; L438-Y440 HydrophobicContact CD1-CE2 4.22Å; L438-Y440 HydrophobicContact CD2-CE1 4.22Å; L438-Y440 HydrophobicContact CG-CE1 4.36Å; L438-Y440 PolarHBondContact O-N 2.75Å; L438-Y441 WeakPolarHBondContact O-CB 3.44Å; L438-Y441 PolarHBondContact O-N 3.41Å; L438-L462 HydrophobicContact CD1-CD1 3.8Å; L438-L511 HydrophobicContact CD1-CD2 4.46Å; L438-D512 HydrophobicContact CD2-CB 3.73Å; L438-K538 VanDerWaalsContact O-CE 3.31Å; L438-K538 WeakPolarHBondContact O-CE 3.23Å; L438-K538 PolarHBondContact O-NZ 3.02Å; L438-K538 VanDerWaalsContact O-NZ 3.08Å
439	S	86.9	Confident	82.8	Confident	43 Å²	43	68.7 Å²	68.7	30%	0.301	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.9	-174.8	76.7	0	0	0	0	111.6	E430 N437 S537 K538	E430-S439 VanDerWaalsContact CD-N 3.3Å; E430-S439 WeakPolarHBondContact OE1-CB 3.48Å; E430-S439 PolarHBondContact OE1-N 3.17Å; E430-S439 PolarHBondContact OE1-OG 3.45Å; E430-S439 PolarHBondContact OE2-N 3.14Å; N437-S439 PolarHBondContact O-N 3.1Å; S439-S537 CarbonylContact O-C 3.49Å; S439-S537 WeakPolarHBondContact O-CA 3.06Å; S439-K538 WeakPolarHBondContact O-CB 3.44Å; S439-K538 WeakPolarHBondContact O-CG 3.48Å; S439-K538 PolarHBondContact O-N 3.07Å
440	Y	90.1	Very high	83.3	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	7.3	-179.4	58.7	-87.1	0	0	0	114.3	E430 L438 N442 Y460 L462 D512 L515 V535 L536	E430-Y440 WeakPolarHBondContact OE1-CD1 3.42Å; L438-Y440 HydrophobicContact CB-CD1 4.14Å; L438-Y440 HydrophobicContact CB-CE1 3.91Å; L438-Y440 HydrophobicContact CD1-CE1 4.29Å; L438-Y440 HydrophobicContact CD1-CE2 4.22Å; L438-Y440 HydrophobicContact CD2-CE1 4.22Å; L438-Y440 HydrophobicContact CG-CE1 4.36Å; L438-Y440 PolarHBondContact O-N 2.75Å; Y440-N442 PolarHBondContact O-N 3.21Å; Y440-N442 PolarHBondContact O-ND2 3.27Å; Y440-N442 VanDerWaalsContact O-ND2 3.15Å; Y440-Y460 HydrophobicContact CD2-CE2 4.29Å; Y440-Y460 HydrophobicContact CE2-CE2 4.05Å; Y440-L462 HydrophobicContact CD2-CB 4.27Å; Y440-L462 HydrophobicContact CD2-CD1 4.01Å; Y440-L462 HydrophobicContact CD2-CG 4.03Å; Y440-L462 HydrophobicContact CE2-CD1 3.49Å; Y440-L462 VanDerWaalsContact CE2-CD1 3.49Å; Y440-L462 HydrophobicContact CE2-CG 3.83Å; Y440-L462 PolarHBondContact O-N 2.65Å; Y440-L462 VanDerWaalsContact O-O 3.11Å; Y440-D512 VanDerWaalsContact CE1-OD1 3.22Å; Y440-D512 WeakPolarHBondContact CE1-OD1 3.42Å; Y440-D512 VanDerWaalsContact CZ-OD1 3.3Å; Y440-D512 PolarHBondContact OH-OD1 3.32Å; Y440-L515 HydrophobicContact CE2-CD1 4.06Å; Y440-V535 HydrophobicContact CD1-CG2 3.36Å; Y440-V535 HydrophobicContact CD2-CG2 3.82Å; Y440-V535 HydrophobicContact CE1-CG2 4Å; Y440-V535 HydrophobicContact CE2-CG2 4.39Å; Y440-V535 HydrophobicContact CG-CG2 3.23Å; Y440-L536 WeakPolarHBondContact CA-O 3.36Å; Y440-L536 WeakPolarHBondContact CB-O 3.45Å
441	Y	90.7	Very high	83.8	Confident	32 Å²	32	68.2 Å²	68.2	13%	0.125	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	106.4	167.6	-179.5	-88.4	0	0	0	110.4	R435 L438 L462 G464 D470 K538	R435-Y441 WeakPolarHBondContact O-CB 3.33Å; L438-Y441 WeakPolarHBondContact O-CB 3.44Å; L438-Y441 PolarHBondContact O-N 3.41Å; Y441-L462 HydrophobicContact CD2-CB 3.84Å; Y441-L462 HydrophobicContact CD2-CD1 4.49Å; Y441-L462 HydrophobicContact CG-CB 4.46Å; Y441-G464 WeakPolarHBondContact OH-CA 3.23Å; Y441-D470 WeakPolarHBondContact CE2-OD2 3.28Å; Y441-D470 PolarHBondContact OH-OD2 3.15Å; Y441-K538 WeakPolarHBondContact O-CE 3Å
442	N	88.9	Confident	84.8	Confident	13 Å²	13	66.7 Å²	66.7	7%	0.07	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146	175	-64.8	-89	0	0	0	109	Y440 L445 L462 R463 G464	Y440-N442 PolarHBondContact O-N 3.21Å; Y440-N442 PolarHBondContact O-ND2 3.27Å; Y440-N442 VanDerWaalsContact O-ND2 3.15Å; N442-L445 HydrophobicContact CB-CD1 3.39Å; N442-L445 HydrophobicContact CB-CG 3.87Å; N442-L462 PolarHBondContact N-O 3.02Å; N442-R463 CarbonylContact O-C 3.28Å; N442-R463 VanDerWaalsContact O-CA 3.22Å; N442-R463 WeakPolarHBondContact O-CA 3.4Å; N442-G464 PolarHBondContact O-N 3.46Å
443	M	81.9	Confident	86	Confident	130 Å²	130	64.2 Å²	64.2	64%	0.64	33%	0.332	S	S	*	.	S	Bend	trans	-67.6	-164.7	167.8	-68.5	-171	73.3	0	0	110.1	L445	M443-L445 PolarHBondContact O-N 3.25Å
444	S	81.6	Confident	87.4	Confident	69 Å²	69	59 Å²	59	48%	0.483	30%	0.3	S	S	.	.	S	Bend	trans	-47.8	99.6	-178.2	-152.3	0	0	0	0	112.5	G464 D466	S444-G464 WeakPolarHBondContact CA-O 3.39Å; S444-D466 PolarHBondContact OG-OD2 3.42Å; S444-D466 VanDerWaalsContact OG-OD2 3.11Å
445	L	87.2	Confident	88.1	Confident	19 Å²	19	57.1 Å²	57.1	10%	0.099	30%	0.297	C	S	.	.			trans	-108.3	126.2	172.4	-74.8	179.4	0	0	0	108.6	N442 M443 K449 V450 L453 L461 R463	N442-L445 HydrophobicContact CB-CD1 3.39Å; N442-L445 HydrophobicContact CB-CG 3.87Å; M443-L445 PolarHBondContact O-N 3.25Å; L445-K449 HydrophobicContact CD2-CD 4.32Å; L445-V450 HydrophobicContact CB-CG2 3.89Å; L445-V450 HydrophobicContact CD1-CG2 4.42Å; L445-L453 HydrophobicContact CD1-CD1 4.01Å; L445-L461 HydrophobicContact CD1-CD1 4.24Å; L445-L461 HydrophobicContact CD1-CD2 4.28Å; L445-R463 PolarHBondContact O-NH1 3.21Å
446	S	88.2	Confident	88.1	Confident	55 Å²	55	57.5 Å²	57.5	39%	0.385	30%	0.304	S	S	.	.			trans	-63.6	155.2	174.8	63.9	0	0	0	0	111.6	E448 K449 V450	S446-E448 VanDerWaalsContact C-N 3.27Å; S446-E448 PolarHBondContact O-N 2.72Å; S446-K449 PolarHBondContact O-N 3.27Å; S446-K449 VanDerWaalsContact O-N 3.16Å; S446-K449 WeakPolarHBondContact OG-CG 3.2Å; S446-K449 PolarHBondContact OG-N 2.96Å; S446-V450 WeakPolarHBondContact O-CG2 3.36Å; S446-V450 PolarHBondContact O-N 2.67Å
447	D	89.5	Confident	88.1	Confident	74 Å²	74	55.4 Å²	55.4	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-56.7	-40.2	178.6	-76.9	11.6	0	0	0	112.4	V450 S451 R463 K482	D447-V450 PolarHBondContact O-N 2.85Å; D447-S451 WeakPolarHBondContact O-CB 3.34Å; D447-S451 PolarHBondContact O-N 2.81Å; D447-R463 IonicContact OD1-CZ 2.79Å; D447-R463 IonicContact OD1-NH1 2.94Å; D447-R463 PolarHBondContact OD1-NH1 3.39Å; D447-R463 IonicContact OD1-NH2 2.63Å; D447-R463 PolarHBondContact OD1-NH2 2.69Å; D447-K482 IonicContact OD2-NZ 3.8Å; D447-K482 PolarHBondContact OD2-NZ 3.3Å
448	E	90.3	Very high	88.2	Confident	155 Å²	155	52.6 Å²	52.6	72%	0.724	28%	0.282	S	S	*	.	H	α-helix	trans	-59.4	-49.8	174.8	-75.8	170	155.3	0	0	111.6	S446 V450 S451 D452	S446-E448 VanDerWaalsContact C-N 3.27Å; S446-E448 PolarHBondContact O-N 2.72Å; E448-V450 VanDerWaalsContact C-N 3.31Å; E448-V450 PolarHBondContact O-N 3.34Å; E448-S451 WeakPolarHBondContact O-CB 3.44Å; E448-S451 PolarHBondContact O-N 2.96Å; E448-S451 VanDerWaalsContact O-N 3.08Å; E448-D452 PolarHBondContact O-N 3.08Å
449	K	91.1	Very high	88.3	Confident	96 Å²	96	52.9 Å²	52.9	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-40.7	178.7	-74.7	179.1	179.8	179.8	0	111.9	L445 S446 S451 D452 L453 L545	L445-K449 HydrophobicContact CD2-CD 4.32Å; S446-K449 PolarHBondContact O-N 3.27Å; S446-K449 VanDerWaalsContact O-N 3.16Å; S446-K449 WeakPolarHBondContact OG-CG 3.2Å; S446-K449 PolarHBondContact OG-N 2.96Å; K449-S451 VanDerWaalsContact C-N 3.31Å; K449-S451 PolarHBondContact O-N 2.98Å; K449-D452 PolarHBondContact O-N 3.01Å; K449-L453 WeakPolarHBondContact O-CB 3.42Å; K449-L453 WeakPolarHBondContact O-CD1 3.33Å; K449-L453 WeakPolarHBondContact O-CG 3.11Å; K449-L453 PolarHBondContact O-N 3.16Å; K449-L545 HydrophobicContact CD-CD2 4.15Å; K449-L545 HydrophobicContact CG-CD2 4.18Å
450	V	91.7	Very high	88.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-43.3	176.2	174.4	0	0	0	0	110.5	L445 S446 D447 E448 D452 L453 L454 C473 I480	L445-V450 HydrophobicContact CB-CG2 3.89Å; L445-V450 HydrophobicContact CD1-CG2 4.42Å; S446-V450 WeakPolarHBondContact O-CG2 3.36Å; S446-V450 PolarHBondContact O-N 2.67Å; D447-V450 PolarHBondContact O-N 2.85Å; E448-V450 VanDerWaalsContact C-N 3.31Å; E448-V450 PolarHBondContact O-N 3.34Å; V450-D452 VanDerWaalsContact C-N 3.31Å; V450-D452 PolarHBondContact O-N 3.33Å; V450-L453 PolarHBondContact O-N 3.36Å; V450-L454 HydrophobicContact CG1-CD1 3.7Å; V450-L454 HydrophobicContact CG1-CG 4.22Å; V450-L454 WeakPolarHBondContact O-CG 3.2Å; V450-L454 PolarHBondContact O-N 3.13Å; V450-C473 HydrophobicContact CG1-CB 3.72Å; V450-I480 HydrophobicContact CG1-CG2 3.92Å
451	S	91.5	Very high	88.8	Confident	64 Å²	64	50.9 Å²	50.9	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-65.9	-32.3	179.7	-154.4	0	0	0	0	113.2	D447 E448 K449	D447-S451 WeakPolarHBondContact O-CB 3.34Å; D447-S451 PolarHBondContact O-N 2.81Å; E448-S451 WeakPolarHBondContact O-CB 3.44Å; E448-S451 PolarHBondContact O-N 2.96Å; E448-S451 VanDerWaalsContact O-N 3.08Å; K449-S451 VanDerWaalsContact C-N 3.31Å; K449-S451 PolarHBondContact O-N 2.98Å
452	D	90.8	Very high	89	Confident	118 Å²	118	49.4 Å²	49.4	63%	0.631	26%	0.264	S	S	*	.	H	α-helix	trans	-75.4	-32	174.6	-67.1	-21.3	0	0	0	112.5	E448 K449 V450	E448-D452 PolarHBondContact O-N 3.08Å; K449-D452 PolarHBondContact O-N 3.01Å; V450-D452 VanDerWaalsContact C-N 3.31Å; V450-D452 PolarHBondContact O-N 3.33Å
453	L	92.3	Very high	89.1	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-77.8	-44.5	-176.3	-75.8	166.9	0	0	0	112.8	L445 K449 V450 V455 L461 L536 V541 K544 L545	L445-L453 HydrophobicContact CD1-CD1 4.01Å; K449-L453 WeakPolarHBondContact O-CB 3.42Å; K449-L453 WeakPolarHBondContact O-CD1 3.33Å; K449-L453 WeakPolarHBondContact O-CG 3.11Å; K449-L453 PolarHBondContact O-N 3.16Å; V450-L453 PolarHBondContact O-N 3.36Å; L453-V455 PolarHBondContact O-N 2.64Å; L453-L461 HydrophobicContact CD1-CD2 4.47Å; L453-L536 HydrophobicContact CB-CD2 4.1Å; L453-L536 VanDerWaalsContact O-CD2 3.25Å; L453-L536 WeakPolarHBondContact O-CD2 3.27Å; L453-V541 HydrophobicContact CD1-CB 4.44Å; L453-V541 HydrophobicContact CD1-CG1 3.67Å; L453-V541 HydrophobicContact CD1-CG2 4.11Å; L453-V541 HydrophobicContact CD2-CB 4.32Å; L453-V541 HydrophobicContact CD2-CG1 4.11Å; L453-V541 HydrophobicContact CD2-CG2 4.22Å; L453-K544 HydrophobicContact CD2-CB 3.74Å; L453-K544 HydrophobicContact CD2-CD 3.92Å; L453-K544 HydrophobicContact CD2-CG 4.44Å; L453-K544 PolarHBondContact O-NZ 2.94Å; L453-L545 HydrophobicContact CD2-CG 4.46Å
454	L	91.6	Very high	89.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.			trans	-81.8	104.2	-179.1	-55.7	-179.3	0	0	0	108.7	V450 D459 L461 C473 K475 I480 L536	V450-L454 HydrophobicContact CG1-CD1 3.7Å; V450-L454 HydrophobicContact CG1-CG 4.22Å; V450-L454 WeakPolarHBondContact O-CG 3.2Å; V450-L454 PolarHBondContact O-N 3.13Å; L454-D459 HydrophobicContact CB-CB 4.13Å; L454-D459 HydrophobicContact CD2-CB 3.87Å; L454-L461 HydrophobicContact CD2-CD2 3.89Å; L454-L461 HydrophobicContact CD2-CG 4.13Å; L454-L461 HydrophobicContact CG-CD2 4.39Å; L454-C473 HydrophobicContact CD1-CB 4.08Å; L454-K475 HydrophobicContact CB-CB 3.84Å; L454-K475 HydrophobicContact CB-CD 4.46Å; L454-K475 WeakPolarHBondContact O-CD 3.46Å; L454-K475 PolarHBondContact O-NZ 3.35Å; L454-I480 HydrophobicContact CB-CD1 3.86Å; L454-I480 HydrophobicContact CD1-CD1 4.06Å; L454-I480 HydrophobicContact CD1-CG2 4.46Å; L454-I480 HydrophobicContact CG-CD1 4.49Å; L454-L536 HydrophobicContact CD2-CD1 4.05Å; L454-L536 HydrophobicContact CD2-CD2 4.19Å
455	V	86.8	Confident	89.1	Confident	69 Å²	69	43.1 Å²	43.1	42%	0.418	22%	0.223	S	C	.	.			trans	-106.8	-46.6	-169.8	178.2	0	0	0	0	110.8	L453 D459 K475	L453-V455 PolarHBondContact O-N 2.64Å; V455-D459 PolarHBondContact N-OD2 3.32Å; V455-K475 WeakPolarHBondContact O-CD 3.04Å; V455-K475 WeakPolarHBondContact O-CE 3.25Å; V455-K475 PolarHBondContact O-NZ 3.33Å
456	E	82.3	Confident	88.4	Confident	118 Å²	118	47.2 Å²	47.2	55%	0.551	25%	0.245	S	C	*	.	S	Bend	trans	-91.2	157.1	-178.5	-59.8	-61	144.4	0	0	111.6	G458 D459	E456-G458 PolarHBondContact O-N 2.93Å; E456-D459 PolarHBondContact N-OD2 2.81Å; E456-D459 VanDerWaalsContact O-CB 3.29Å; E456-D459 WeakPolarHBondContact O-CB 3.34Å; E456-D459 PolarHBondContact O-N 3.02Å
457	E	84.1	Confident	87.5	Confident	43 Å²	43	56.1 Å²	56.1	20%	0.201	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	126.3	173.5	-66.8	-67.7	157.1	0	0	110	W476 N477 R478 R533	E457-W476 HydrophobicContact CB-CE3 4.41Å; E457-W476 HydrophobicContact CB-CZ3 4.33Å; E457-W476 WeakPolarHBondContact OE2-CA 3.4Å; E457-N477 PolarHBondContact OE2-N 3.27Å; E457-R478 PolarHBondContact OE1-N 3.47Å; E457-R533 WeakPolarHBondContact O-CD 3.01Å
458	G	85.9	Confident	86.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-2.9	-175.9	0	0	0	0	0	114.8	E456 Y460 K475 F531 R533 N534	E456-G458 PolarHBondContact O-N 2.93Å; G458-Y460 PolarHBondContact O-N 2.87Å; G458-K475 PolarHBondContact N-O 3.23Å; G458-F531 WeakPolarHBondContact CA-O 3.42Å; G458-R533 PolarHBondContact O-N 3.07Å; G458-N534 PolarHBondContact O-N 2.88Å
459	D	90.3	Very high	86.6	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.043	27%	0.27	C	S	.	.			trans	-57.5	130.7	169.1	-81.2	-0.1	0	0	0	109.7	L454 V455 E456 V474 K475 N534 L536	L454-D459 HydrophobicContact CB-CB 4.13Å; L454-D459 HydrophobicContact CD2-CB 3.87Å; V455-D459 PolarHBondContact N-OD2 3.32Å; E456-D459 PolarHBondContact N-OD2 2.81Å; E456-D459 VanDerWaalsContact O-CB 3.29Å; E456-D459 WeakPolarHBondContact O-CB 3.34Å; E456-D459 PolarHBondContact O-N 3.02Å; D459-V474 CarbonylContact O-C 3.59Å; D459-V474 VanDerWaalsContact O-CA 3.26Å; D459-V474 WeakPolarHBondContact O-CA 3.42Å; D459-V474 WeakPolarHBondContact O-CG2 3.34Å; D459-K475 PolarHBondContact O-N 3.21Å; D459-N534 WeakPolarHBondContact CA-O 2.9Å; D459-N534 WeakPolarHBondContact OD1-CB 3.41Å; D459-N534 PolarHBondContact OD1-ND2 2.79Å; D459-L536 HydrophobicContact CB-CD1 3.74Å
460	Y	93.9	Very high	86.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.7	-179.3	77.5	-79	0	0	0	114.3	Y440 G458 L472 C473 V519 F532 N534 V535 L536	Y440-Y460 HydrophobicContact CD2-CE2 4.29Å; Y440-Y460 HydrophobicContact CE2-CE2 4.05Å; G458-Y460 PolarHBondContact O-N 2.87Å; Y460-L472 HydrophobicContact CD2-CD1 3.91Å; Y460-C473 CarbonylContact C-O 3.59Å; Y460-C473 WeakPolarHBondContact CA-O 3.2Å; Y460-C473 WeakPolarHBondContact CB-O 3.26Å; Y460-V519 HydrophobicContact CE1-CG2 3.72Å; Y460-F532 HydrophobicContact CD1-CB 3.78Å; Y460-F532 HydrophobicContact CD1-CD1 4.05Å; Y460-F532 HydrophobicContact CD1-CG 4.31Å; Y460-F532 HydrophobicContact CD2-CD1 4.09Å; Y460-F532 HydrophobicContact CE1-CB 3.95Å; Y460-F532 HydrophobicContact CG-CB 4.24Å; Y460-F532 AromaticContact CG-CD1 3.64Å; Y460-F532 HydrophobicContact CG-CD1 3.64Å; Y460-F532 HydrophobicContact CG-CE1 4.44Å; Y460-F532 HydrophobicContact CG-CG 4.27Å; Y460-N534 VanDerWaalsContact CD1-O 3.23Å; Y460-N534 WeakPolarHBondContact CD1-O 3.32Å; Y460-N534 PolarHBondContact N-O 3.11Å; Y460-V535 HydrophobicContact CE1-CB 3.79Å; Y460-V535 HydrophobicContact CE1-CG2 4.12Å; Y460-V535 HydrophobicContact CE2-CB 4.44Å; Y460-V535 HydrophobicContact CE2-CG2 3.86Å; Y460-L536 PolarHBondContact O-N 2.75Å
461	L	94.4	Very high	86.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	157.5	172.7	62.6	83.9	0	0	0	110.7	L445 L453 L454 R463 C473 L536	L445-L461 HydrophobicContact CD1-CD1 4.24Å; L445-L461 HydrophobicContact CD1-CD2 4.28Å; L453-L461 HydrophobicContact CD1-CD2 4.47Å; L454-L461 HydrophobicContact CD2-CD2 3.89Å; L454-L461 HydrophobicContact CD2-CG 4.13Å; L454-L461 HydrophobicContact CG-CD2 4.39Å; L461-R463 HydrophobicContact CD1-CB 3.99Å; L461-C473 HydrophobicContact CD1-CB 4.1Å; L461-C473 HydrophobicContact CG-CB 4.4Å; L461-C473 PolarHBondContact N-O 2.94Å; L461-C473 PolarHBondContact O-N 3.02Å; L461-L536 HydrophobicContact CB-CB 4.33Å; L461-L536 HydrophobicContact CD2-CB 4.48Å
462	L	94	Very high	86.7	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.6	166	-75.6	168.8	0	0	0	108.6	L438 Y440 Y441 N442 Q471 L472 V485 L511 L515	L438-L462 HydrophobicContact CD1-CD1 3.8Å; Y440-L462 HydrophobicContact CD2-CB 4.27Å; Y440-L462 HydrophobicContact CD2-CD1 4.01Å; Y440-L462 HydrophobicContact CD2-CG 4.03Å; Y440-L462 HydrophobicContact CE2-CD1 3.49Å; Y440-L462 VanDerWaalsContact CE2-CD1 3.49Å; Y440-L462 HydrophobicContact CE2-CG 3.83Å; Y440-L462 PolarHBondContact O-N 2.65Å; Y440-L462 VanDerWaalsContact O-O 3.11Å; Y441-L462 HydrophobicContact CD2-CB 3.84Å; Y441-L462 HydrophobicContact CD2-CD1 4.49Å; Y441-L462 HydrophobicContact CG-CB 4.46Å; N442-L462 PolarHBondContact N-O 3.02Å; L462-Q471 CarbonylContact C-O 3.58Å; L462-Q471 WeakPolarHBondContact CA-O 3.47Å; L462-L472 HydrophobicContact CD2-CB 4.03Å; L462-L472 HydrophobicContact CD2-CD1 3.85Å; L462-L472 HydrophobicContact CG-CD1 4.22Å; L462-V485 HydrophobicContact CD2-CG1 4.46Å; L462-V485 HydrophobicContact CD2-CG2 3.6Å; L462-L511 HydrophobicContact CD1-CD2 4.08Å; L462-L515 HydrophobicContact CD1-CD1 4.43Å
463	R	91	Very high	86.9	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.2	169.8	72.6	175.8	-176.4	174.5	-1.2	112.2	N442 L445 D447 L461 D470 Q471 C473	N442-R463 CarbonylContact O-C 3.28Å; N442-R463 VanDerWaalsContact O-CA 3.22Å; N442-R463 WeakPolarHBondContact O-CA 3.4Å; L445-R463 PolarHBondContact O-NH1 3.21Å; D447-R463 IonicContact OD1-CZ 2.79Å; D447-R463 IonicContact OD1-NH1 2.94Å; D447-R463 PolarHBondContact OD1-NH1 3.39Å; D447-R463 IonicContact OD1-NH2 2.63Å; D447-R463 PolarHBondContact OD1-NH2 2.69Å; L461-R463 HydrophobicContact CD1-CB 3.99Å; R463-D470 WeakPolarHBondContact O-CA 3.35Å; R463-Q471 HydrophobicContact CG-CB 4.01Å; R463-Q471 VanDerWaalsContact CZ-OE1 3.3Å; R463-Q471 PolarHBondContact N-O 3.36Å; R463-Q471 VanDerWaalsContact NE-OE1 3.09Å; R463-Q471 PolarHBondContact O-N 2.91Å; R463-C473 PolarHBondContact NE-SG 3.32Å; R463-C473 VanDerWaalsContact NE-SG 3.39Å
464	G	86.8	Confident	87	Confident	5 Å²	5	44.6 Å²	44.6	5%	0.052	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	151.2	164.1	0	0	0	0	0	111.3	Y441 N442 S444 D470	Y441-G464 WeakPolarHBondContact OH-CA 3.23Å; N442-G464 PolarHBondContact O-N 3.46Å; S444-G464 WeakPolarHBondContact CA-O 3.39Å; G464-D470 WeakPolarHBondContact CA-OD1 3.43Å
465	R	77.8	Confident	87	Confident	74 Å²	74	46.7 Å²	46.7	28%	0.279	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.8	166.1	-76.1	-159	-74.1	162	8.5	109.9	Y467 E468 Q471	R465-Y467 PolarHBondContact O-N 3.33Å; R465-E468 HydrophobicContact CB-CB 3.98Å; R465-E468 IonicContact CZ-OE2 3.88Å; R465-E468 IonicContact NE-OE2 3.87Å; R465-E468 PolarHBondContact NE-OE2 3.14Å; R465-E468 IonicContact NH1-OE2 3.66Å; R465-E468 PolarHBondContact NH1-OE2 3.09Å; R465-E468 IonicContact NH2-OE2 3.87Å; R465-E468 PolarHBondContact NH2-OE2 3.31Å; R465-E468 PolarHBondContact O-N 2.93Å; R465-Q471 VanDerWaalsContact CZ-CD 3.44Å; R465-Q471 VanDerWaalsContact NE-CD 3.33Å; R465-Q471 VanDerWaalsContact NE-OE1 3.1Å
466	D	71.5	Confident	87	Confident	106 Å²	106	43.6 Å²	43.6	57%	0.567	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	122	-179.9	-57.2	-55.7	0	0	0	109.3	S444 E468	S444-D466 PolarHBondContact OG-OD2 3.42Å; S444-D466 VanDerWaalsContact OG-OD2 3.11Å; D466-E468 PolarHBondContact O-N 3.19Å
467	Y	69.3	Low	87	Confident	241 Å²	241	42 Å²	42	95%	0.945	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	11.7	179.4	-45	-81.9	0	0	0	116.4	R465	R465-Y467 PolarHBondContact O-N 3.33Å
468	E	78	Confident	87	Confident	112 Å²	112	50.6 Å²	50.6	52%	0.523	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	164.7	174.9	-68.6	-170.7	-166.8	0	0	111.3	R465 D466	R465-E468 HydrophobicContact CB-CB 3.98Å; R465-E468 IonicContact CZ-OE2 3.88Å; R465-E468 IonicContact NE-OE2 3.87Å; R465-E468 PolarHBondContact NE-OE2 3.14Å; R465-E468 IonicContact NH1-OE2 3.66Å; R465-E468 PolarHBondContact NH1-OE2 3.09Å; R465-E468 IonicContact NH2-OE2 3.87Å; R465-E468 PolarHBondContact NH2-OE2 3.31Å; R465-E468 PolarHBondContact O-N 2.93Å; D466-E468 PolarHBondContact O-N 3.19Å
469	E	83.6	Confident	87.2	Confident	120 Å²	120	56.4 Å²	56.4	56%	0.561	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	138.7	172.4	-71.8	-170.6	160.9	0	0	110.5	K487	E469-K487 IonicContact OE1-NZ 2.67Å; E469-K487 PolarHBondContact OE1-NZ 3.31Å
470	D	89.4	Confident	87.4	Confident	15 Å²	15	58.1 Å²	58.1	8%	0.08	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	151.1	172.8	-65.9	-8.3	0	0	0	110.9	R435 Y441 R463 G464 V485	R435-D470 IonicContact CZ-OD2 2.67Å; R435-D470 IonicContact NE-OD2 2.78Å; R435-D470 PolarHBondContact NE-OD2 2.81Å; R435-D470 IonicContact NH2-OD1 3.44Å; R435-D470 IonicContact NH2-OD2 3.94Å; R435-D470 PolarHBondContact NH2-OD2 2.97Å; Y441-D470 WeakPolarHBondContact CE2-OD2 3.28Å; Y441-D470 PolarHBondContact OH-OD2 3.15Å; R463-D470 WeakPolarHBondContact O-CA 3.35Å; G464-D470 WeakPolarHBondContact CA-OD1 3.43Å; D470-V485 HydrophobicContact CB-CG2 3.91Å; D470-V485 WeakPolarHBondContact O-CG2 3.49Å
471	Q	92.4	Very high	87.3	Confident	24 Å²	24	60.6 Å²	60.6	11%	0.112	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.2	-176.7	-62.8	-167.8	-48.7	0	0	112.1	L462 R463 R465 L483	L462-Q471 CarbonylContact C-O 3.58Å; L462-Q471 WeakPolarHBondContact CA-O 3.47Å; R463-Q471 HydrophobicContact CG-CB 4.01Å; R463-Q471 VanDerWaalsContact CZ-OE1 3.3Å; R463-Q471 PolarHBondContact N-O 3.36Å; R463-Q471 VanDerWaalsContact NE-OE1 3.09Å; R463-Q471 PolarHBondContact O-N 2.91Å; R465-Q471 VanDerWaalsContact CZ-CD 3.44Å; R465-Q471 VanDerWaalsContact NE-CD 3.33Å; R465-Q471 VanDerWaalsContact NE-OE1 3.1Å; Q471-L483 WeakPolarHBondContact CA-O 3.46Å
472	L	94.1	Very high	87.2	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	109.1	165	-179.8	61.1	0	0	0	108.1	Y460 L462 L483 V485 L515 Y525 F532	Y460-L472 HydrophobicContact CD2-CD1 3.91Å; L462-L472 HydrophobicContact CD2-CB 4.03Å; L462-L472 HydrophobicContact CD2-CD1 3.85Å; L462-L472 HydrophobicContact CG-CD1 4.22Å; L472-L483 HydrophobicContact CB-CB 4.29Å; L472-L483 PolarHBondContact N-O 3.36Å; L472-L483 WeakPolarHBondContact O-CB 3.35Å; L472-L483 PolarHBondContact O-N 3.37Å; L472-V485 HydrophobicContact CB-CG2 4.48Å; L472-L515 HydrophobicContact CD1-CD1 4.22Å; L472-L515 HydrophobicContact CD2-CD2 3.65Å; L472-Y525 HydrophobicContact CD2-CE2 4.26Å; L472-F532 HydrophobicContact CD1-CE1 4.23Å; L472-F532 HydrophobicContact CD2-CE1 3.77Å; L472-F532 HydrophobicContact CD2-CE2 4.14Å; L472-F532 HydrophobicContact CD2-CZ 3.35Å; L472-F532 HydrophobicContact CG-CE1 3.91Å; L472-F532 HydrophobicContact CG-CZ 4Å
473	C	95.3	Very high	87.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133	-179.7	-66.3	0	0	0	0	109.7	V450 L454 Y460 L461 R463 H481	V450-C473 HydrophobicContact CG1-CB 3.72Å; L454-C473 HydrophobicContact CD1-CB 4.08Å; Y460-C473 CarbonylContact C-O 3.59Å; Y460-C473 WeakPolarHBondContact CA-O 3.2Å; Y460-C473 WeakPolarHBondContact CB-O 3.26Å; L461-C473 HydrophobicContact CD1-CB 4.1Å; L461-C473 HydrophobicContact CG-CB 4.4Å; L461-C473 PolarHBondContact N-O 2.94Å; L461-C473 PolarHBondContact O-N 3.02Å; R463-C473 PolarHBondContact NE-SG 3.32Å; R463-C473 VanDerWaalsContact NE-SG 3.39Å; C473-H481 WeakPolarHBondContact CA-O 3.4Å
474	V	94.2	Very high	87.2	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	140.9	180	54.2	0	0	0	0	110.7	D459 H481 L483 I530 F532	D459-V474 CarbonylContact O-C 3.59Å; D459-V474 VanDerWaalsContact O-CA 3.26Å; D459-V474 WeakPolarHBondContact O-CA 3.42Å; D459-V474 WeakPolarHBondContact O-CG2 3.34Å; V474-H481 HydrophobicContact CG1-CB 3.98Å; V474-H481 PolarHBondContact N-O 2.88Å; V474-H481 PolarHBondContact O-N 3.13Å; V474-L483 HydrophobicContact CG1-CD1 3.87Å; V474-I530 HydrophobicContact CB-CG2 4.32Å; V474-I530 HydrophobicContact CG1-CG2 3.31Å; V474-I530 HydrophobicContact CG2-CG2 4.05Å; V474-F532 HydrophobicContact CB-CD1 3.98Å; V474-F532 HydrophobicContact CB-CE1 3.69Å; V474-F532 HydrophobicContact CG1-CD1 4.45Å; V474-F532 HydrophobicContact CG1-CE1 3.75Å; V474-F532 HydrophobicContact CG2-CD1 3.76Å; V474-F532 HydrophobicContact CG2-CE1 3.92Å
475	K	91.6	Very high	87.3	Confident	44 Å²	44	68.8 Å²	68.8	19%	0.191	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.2	170.7	-179.4	162.4	-176.7	175.5	0	109.5	L454 V455 G458 D459 Q479 I480	L454-K475 HydrophobicContact CB-CB 3.84Å; L454-K475 HydrophobicContact CB-CD 4.46Å; L454-K475 WeakPolarHBondContact O-CD 3.46Å; L454-K475 PolarHBondContact O-NZ 3.35Å; V455-K475 WeakPolarHBondContact O-CD 3.04Å; V455-K475 WeakPolarHBondContact O-CE 3.25Å; V455-K475 PolarHBondContact O-NZ 3.33Å; G458-K475 PolarHBondContact N-O 3.23Å; D459-K475 PolarHBondContact O-N 3.21Å; K475-Q479 CarbonylContact C-O 3.49Å; K475-Q479 WeakPolarHBondContact CA-O 3.22Å; K475-I480 HydrophobicContact CB-CD1 3.8Å; K475-I480 HydrophobicContact CD-CD1 4.22Å; K475-I480 HydrophobicContact CG-CD1 4.13Å
476	W	87.1	Confident	87.8	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.015	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	140.9	172.6	-161.3	-97.9	0	0	0	111.5	W192 L245 E457 R478 Q479 H481 R529 I530 F531	W192-W476 HydrophobicContact CH2-CZ2 4.25Å; W192-W476 HydrophobicContact CZ2-CZ2 4.03Å; L245-W476 HydrophobicContact CD1-CH2 3.85Å; L245-W476 HydrophobicContact CD1-CZ2 4.21Å; L245-W476 HydrophobicContact CG-CH2 4.37Å; E457-W476 HydrophobicContact CB-CE3 4.41Å; E457-W476 HydrophobicContact CB-CZ3 4.33Å; E457-W476 WeakPolarHBondContact OE2-CA 3.4Å; W476-R478 VanDerWaalsContact C-N 3.26Å; W476-R478 PolarHBondContact O-N 2.97Å; W476-Q479 PolarHBondContact N-O 2.83Å; W476-Q479 PolarHBondContact O-N 2.91Å; W476-H481 PolarHBondContact O-NE2 3.25Å; W476-R529 PolarHBondContact NE1-O 3.33Å; W476-I530 HydrophobicContact CB-CG2 4.37Å; W476-F531 HydrophobicContact CD2-CD2 4.48Å; W476-F531 AromaticContact CE2-CD2 3.8Å; W476-F531 HydrophobicContact CE3-CB 4.21Å; W476-F531 HydrophobicContact CH2-CB 3.71Å; W476-F531 AromaticContact CH2-CD2 3.88Å; W476-F531 HydrophobicContact CH2-CD2 3.88Å; W476-F531 HydrophobicContact CH2-CG 4.06Å; W476-F531 HydrophobicContact CZ2-CB 4.17Å; W476-F531 AromaticContact CZ2-CD2 3.46Å; W476-F531 HydrophobicContact CZ2-CD2 3.46Å; W476-F531 VanDerWaalsContact CZ2-CD2 3.46Å; W476-F531 HydrophobicContact CZ2-CE2 4.22Å; W476-F531 HydrophobicContact CZ2-CG 4.12Å; W476-F531 HydrophobicContact CZ3-CB 3.73Å
477	N	82	Confident	88.6	Confident	85 Å²	85	67.6 Å²	67.6	46%	0.455	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	46.3	-178	-168.8	36.9	0	0	0	112.7	E457 Q479	E457-N477 PolarHBondContact OE2-N 3.27Å; N477-Q479 PolarHBondContact O-N 3.48Å; N477-Q479 VanDerWaalsContact O-N 3.12Å
478	R	85.5	Confident	89.3	Confident	223 Å²	223	60 Å²	60	84%	0.842	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	14.8	-176.9	-52.3	178.1	179.6	170.7	0.2	115.1	E457 W476	E457-R478 PolarHBondContact OE1-N 3.47Å; W476-R478 VanDerWaalsContact C-N 3.26Å; W476-R478 PolarHBondContact O-N 2.97Å
479	Q	89.8	Confident	89.6	Confident	122 Å²	122	56.3 Å²	56.3	57%	0.57	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.8	176.9	-65	-171.9	0.5	0	0	111.1	K475 W476 N477	K475-Q479 CarbonylContact C-O 3.49Å; K475-Q479 WeakPolarHBondContact CA-O 3.22Å; W476-Q479 PolarHBondContact N-O 2.83Å; W476-Q479 PolarHBondContact O-N 2.91Å; N477-Q479 PolarHBondContact O-N 3.48Å; N477-Q479 VanDerWaalsContact O-N 3.12Å
480	I	93.2	Very high	89.4	Confident	43 Å²	43	62.8 Å²	62.8	22%	0.221	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.4	171.4	-56.3	-59.6	0	0	0	108.6	V450 L454 K475	V450-I480 HydrophobicContact CG1-CG2 3.92Å; L454-I480 HydrophobicContact CB-CD1 3.86Å; L454-I480 HydrophobicContact CD1-CD1 4.06Å; L454-I480 HydrophobicContact CD1-CG2 4.46Å; L454-I480 HydrophobicContact CG-CD1 4.49Å; K475-I480 HydrophobicContact CB-CD1 3.8Å; K475-I480 HydrophobicContact CD-CD1 4.22Å; K475-I480 HydrophobicContact CG-CD1 4.13Å
481	H	93	Very high	88.9	Confident	53 Å²	53	66.3 Å²	66.3	25%	0.245	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.6	173.3	-64.2	-91.5	0	0	0	109.9	C473 V474 W476 L483 I530	C473-H481 WeakPolarHBondContact CA-O 3.4Å; V474-H481 HydrophobicContact CG1-CB 3.98Å; V474-H481 PolarHBondContact N-O 2.88Å; V474-H481 PolarHBondContact O-N 3.13Å; W476-H481 PolarHBondContact O-NE2 3.25Å; H481-L483 HydrophobicContact CB-CD2 4.43Å; H481-L483 HydrophobicContact CB-CG 4.33Å; H481-I530 HydrophobicContact CB-CD1 3.71Å
482	K	92.6	Very high	88.5	Confident	97 Å²	97	66.5 Å²	66.5	42%	0.422	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	99.2	176.7	-66.2	173.4	-79.7	-178.7	0	108.3	D447	D447-K482 IonicContact OD2-NZ 3.8Å; D447-K482 PolarHBondContact OD2-NZ 3.3Å
483	L	92.4	Very high	88.2	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	147.3	-171.3	-57.9	170.4	0	0	0	110.7	Q471 L472 V474 H481 Y525 K528 I530 F532	Q471-L483 WeakPolarHBondContact CA-O 3.46Å; L472-L483 HydrophobicContact CB-CB 4.29Å; L472-L483 PolarHBondContact N-O 3.36Å; L472-L483 WeakPolarHBondContact O-CB 3.35Å; L472-L483 PolarHBondContact O-N 3.37Å; V474-L483 HydrophobicContact CG1-CD1 3.87Å; H481-L483 HydrophobicContact CB-CD2 4.43Å; H481-L483 HydrophobicContact CB-CG 4.33Å; L483-Y525 HydrophobicContact CB-CE1 4.12Å; L483-Y525 HydrophobicContact CD1-CD1 3.61Å; L483-Y525 HydrophobicContact CD1-CE1 3.85Å; L483-Y525 HydrophobicContact CD1-CG 4.41Å; L483-Y525 HydrophobicContact CG-CE1 4.45Å; L483-K528 HydrophobicContact CD2-CD 3.92Å; L483-I530 HydrophobicContact CD1-CD1 3.88Å; L483-I530 HydrophobicContact CD1-CG2 4.14Å; L483-I530 HydrophobicContact CD2-CD1 3.77Å; L483-I530 HydrophobicContact CG-CD1 4.28Å; L483-F532 HydrophobicContact CD1-CZ 4.2Å
484	P	90.8	Very high	88.1	Confident	65 Å²	65	69.4 Å²	69.4	42%	0.422	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.2	168.8	28.4	-33	0	0	0	109.3	Y525	P484-Y525 PolarHBondContact O-OH 2.56Å
485	V	89.4	Confident	88	Confident	13 Å²	13	72.8 Å²	72.8	8%	0.079	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-61.5	136.6	172.4	178.6	0	0	0	0	108.6	L462 D470 L472 K487 L511	L462-V485 HydrophobicContact CD2-CG1 4.46Å; L462-V485 HydrophobicContact CD2-CG2 3.6Å; D470-V485 HydrophobicContact CB-CG2 3.91Å; D470-V485 WeakPolarHBondContact O-CG2 3.49Å; L472-V485 HydrophobicContact CB-CG2 4.48Å; V485-K487 PolarHBondContact O-N 3.04Å; V485-L511 HydrophobicContact CG1-CD1 4.17Å; V485-L511 HydrophobicContact CG1-CD2 3.68Å
486	P	89.4	Confident	88.1	Confident	7 Å²	7	70.8 Å²	70.8	5%	0.045	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-49.6	136.9	173.4	-24.3	31.1	0	0	0	111.4	Y494 L511 L514 L515 Y525	P486-Y494 HydrophobicContact CB-CD1 3.94Å; P486-Y494 HydrophobicContact CB-CE1 4.02Å; P486-L511 HydrophobicContact CB-CD1 4.05Å; P486-L511 HydrophobicContact CG-CD1 3.77Å; P486-L514 HydrophobicContact CB-CD2 3.55Å; P486-L514 HydrophobicContact CG-CD2 3.58Å; P486-L515 HydrophobicContact CG-CD2 4.44Å; P486-Y525 WeakPolarHBondContact CD-OH 3.31Å; P486-Y525 HydrophobicContact CG-CE2 3.94Å; P486-Y525 VanDerWaalsContact CG-OH 3.23Å; P486-Y525 WeakPolarHBondContact CG-OH 3.32Å
487	K	87	Confident	88.3	Confident	148 Å²	148	71.8 Å²	71.8	64%	0.643	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-92.2	139.9	168.4	-61.4	-171.8	178.5	-171.4	0	107.2	E469 V485	E469-K487 IonicContact OE1-NZ 2.67Å; E469-K487 PolarHBondContact OE1-NZ 3.31Å; V485-K487 PolarHBondContact O-N 3.04Å
488	N	85.5	Confident	88.6	Confident	81 Å²	81	70 Å²	70	43%	0.433	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-77.3	162.7	170.2	52.9	-3.4	0	0	0	110.9	G492 N493 Y494	N488-G492 VanDerWaalsContact CB-O 3.3Å; N488-G492 WeakPolarHBondContact CB-O 3.44Å; N488-G492 WeakPolarHBondContact ND2-CA 3.49Å; N488-G492 PolarHBondContact ND2-O 2.88Å; N488-G492 VanDerWaalsContact ND2-O 3.07Å; N488-N493 CarbonylContact C-O 3.58Å; N488-N493 VanDerWaalsContact CA-O 3.27Å; N488-N493 WeakPolarHBondContact CA-O 2.94Å; N488-N493 VanDerWaalsContact CB-O 3.27Å; N488-N493 WeakPolarHBondContact CB-O 3.3Å; N488-Y494 HydrophobicContact CB-CD1 4.2Å; N488-Y494 HydrophobicContact CB-CD2 4.25Å; N488-Y494 HydrophobicContact CB-CE1 3.91Å; N488-Y494 HydrophobicContact CB-CE2 3.94Å; N488-Y494 HydrophobicContact CB-CG 4.36Å
489	G	82.8	Confident	88.3	Confident	35 Å²	35	65.4 Å²	65.4	36%	0.361	33%	0.328	S	S	.	.			trans	-68.3	177.5	169.1	0	0	0	0	0	112.1	D491 G492 N493	G489-D491 PolarHBondContact O-N 3.47Å; G489-G492 PolarHBondContact O-N 2.98Å; G489-N493 PolarHBondContact N-O 3.42Å
490	Y	79.6	Confident	88.2	Confident	256 Å²	256	61.7 Å²	61.7	100%	1.004	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.9	177.4	-68.2	-75.6	0	0	0	113.3	G492	Y490-G492 VanDerWaalsContact C-N 3.27Å
491	D	79.7	Confident	87.8	Confident	89 Å²	89	65.3 Å²	65.3	48%	0.476	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-7.6	174.8	63.3	-15.8	0	0	0	113.3	G489 N493	G489-D491 PolarHBondContact O-N 3.47Å; D491-N493 VanDerWaalsContact C-N 3.32Å; D491-N493 PolarHBondContact OD1-N 2.93Å; D491-N493 WeakPolarHBondContact OD2-CB 3.4Å; D491-N493 PolarHBondContact OD2-ND2 3.18Å
492	G	83.4	Confident	87.7	Confident	28 Å²	28	65.5 Å²	65.5	29%	0.289	34%	0.343	S	S	.	.	S	Bend	trans	88.4	-4.9	-177.4	0	0	0	0	0	114.4	N488 G489 Y490	N488-G492 VanDerWaalsContact CB-O 3.3Å; N488-G492 WeakPolarHBondContact CB-O 3.44Å; N488-G492 WeakPolarHBondContact ND2-CA 3.49Å; N488-G492 PolarHBondContact ND2-O 2.88Å; N488-G492 VanDerWaalsContact ND2-O 3.07Å; G489-G492 PolarHBondContact O-N 2.98Å; Y490-G492 VanDerWaalsContact C-N 3.27Å
493	N	89	Confident	87.7	Confident	28 Å²	28	61.4 Å²	61.4	15%	0.15	33%	0.326	C	S	.	.			trans	-92.5	162.7	-176.4	-59.6	-39.8	0	0	0	112.6	N488 G489 D491 H507 I509	N488-N493 CarbonylContact C-O 3.58Å; N488-N493 VanDerWaalsContact CA-O 3.27Å; N488-N493 WeakPolarHBondContact CA-O 2.94Å; N488-N493 VanDerWaalsContact CB-O 3.27Å; N488-N493 WeakPolarHBondContact CB-O 3.3Å; G489-N493 PolarHBondContact N-O 3.42Å; D491-N493 VanDerWaalsContact C-N 3.32Å; D491-N493 PolarHBondContact OD1-N 2.93Å; D491-N493 WeakPolarHBondContact OD2-CB 3.4Å; D491-N493 PolarHBondContact OD2-ND2 3.18Å; N493-H507 HydrophobicContact CB-CB 3.92Å; N493-I509 WeakPolarHBondContact OD1-CG2 3.02Å
494	Y	91.9	Very high	87.7	Confident	32 Å²	32	61.7 Å²	61.7	13%	0.125	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.1	179.6	-65.4	-92.4	0	0	0	110.2	P486 N488 L496 H507 S508 L511 L514	P486-Y494 HydrophobicContact CB-CD1 3.94Å; P486-Y494 HydrophobicContact CB-CE1 4.02Å; N488-Y494 HydrophobicContact CB-CD1 4.2Å; N488-Y494 HydrophobicContact CB-CD2 4.25Å; N488-Y494 HydrophobicContact CB-CE1 3.91Å; N488-Y494 HydrophobicContact CB-CE2 3.94Å; N488-Y494 HydrophobicContact CB-CG 4.36Å; Y494-L496 PolarHBondContact O-N 3.33Å; Y494-H507 CarbonylContact O-C 3.48Å; Y494-H507 WeakPolarHBondContact O-CA 2.99Å; Y494-S508 PolarHBondContact N-O 3.17Å; Y494-S508 PolarHBondContact O-N 3.17Å; Y494-L511 HydrophobicContact CD1-CD1 4.48Å; Y494-L511 HydrophobicContact CE1-CB 4.27Å; Y494-L511 HydrophobicContact CE1-CD1 3.96Å; Y494-L511 HydrophobicContact CE2-CB 4.03Å; Y494-L511 VanDerWaalsContact CE2-N 3.29Å; Y494-L514 HydrophobicContact CD1-CD2 3.83Å; Y494-L514 HydrophobicContact CG-CB 4.35Å; Y494-L514 HydrophobicContact CG-CD2 4.18Å
495	T	93.4	Very high	87.8	Confident	71 Å²	71	62.2 Å²	62.2	44%	0.436	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	127.7	174.5	-54.9	0	0	0	0	111.4	E505	T495-E505 WeakPolarHBondContact CB-OE1 3.32Å; T495-E505 HydrophobicContact CG2-CG 3.73Å; T495-E505 WeakPolarHBondContact CG2-OE1 3.37Å; T495-E505 PolarHBondContact OG1-OE1 3.03Å
496	L	93.1	Very high	88.1	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.016	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-80.6	144.9	174.6	-68.8	-177.3	0	0	0	110.8	P29 T104 Y494 E506 L514 T517	P29-L496 HydrophobicContact CG-CB 4.18Å; P29-L496 HydrophobicContact CG-CD1 4.36Å; T104-L496 HydrophobicContact CG2-CD1 3.63Å; Y494-L496 PolarHBondContact O-N 3.33Å; L496-E506 HydrophobicContact CB-CB 4.35Å; L496-E506 WeakPolarHBondContact CB-O 3.06Å; L496-E506 HydrophobicContact CD1-CB 4.2Å; L496-E506 PolarHBondContact N-O 2.97Å; L496-L514 HydrophobicContact CD2-CD1 3.82Å; L496-T517 HydrophobicContact CD2-CG2 3.95Å
497	P	89.9	Confident	88.3	Confident	25 Å²	25	61.7 Å²	61.7	16%	0.162	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-77.5	130.6	179.3	31	-35.1	0	0	0	112.1	Y518 I523	P497-Y518 HydrophobicContact CB-CE1 4.48Å; P497-Y518 HydrophobicContact CG-CE1 3.87Å; P497-Y518 HydrophobicContact CG-CE2 4.42Å; P497-I523 HydrophobicContact CB-CD1 4.49Å; P497-I523 HydrophobicContact CB-CG2 3.96Å; P497-I523 HydrophobicContact CG-CB 4.3Å; P497-I523 HydrophobicContact CG-CD1 3.62Å; P497-I523 HydrophobicContact CG-CG2 3.81Å
498	H	88.4	Confident	88.4	Confident	47 Å²	47	55 Å²	55	22%	0.218	29%	0.293	C	S	.	.			trans	-109.7	147.5	170.7	-73.1	-94.6	0	0	0	111.6	D31 E506	D31-H498 IonicContact OD1-ND1 3.24Å; D31-H498 WeakPolarHBondContact OD2-CA 3.38Å; D31-H498 WeakPolarHBondContact OD2-CB 3.42Å; D31-H498 IonicContact OD2-CG 3.8Å; D31-H498 IonicContact OD2-ND1 3.39Å; H498-E506 IonicContact CE1-OE2 3.31Å; H498-E506 PolarHBondContact CE1-OE2 3.34Å; H498-E506 IonicContact NE2-OE2 3.24Å; H498-E506 PolarHBondContact NE2-OE2 3.22Å
499	K	81.1	Confident	88.5	Confident	127 Å²	127	57 Å²	57	55%	0.552	30%	0.302	S	S	*	.	S	Bend	trans	-74.8	-42.2	164.8	-73.5	173.3	-179.7	152.1	0	111.2	D31 Q32 P501	D31-K499 WeakPolarHBondContact OD2-CA 3.25Å; D31-K499 PolarHBondContact OD2-N 3.49Å; Q32-K499 VanDerWaalsContact NE2-CD 3.33Å; Q32-K499 VanDerWaalsContact NE2-CE 3.35Å; K499-P501 WeakPolarHBondContact O-CD 3.43Å
500	D	85.7	Confident	88.8	Confident	43 Å²	43	57 Å²	57	23%	0.23	30%	0.295	C	S	.	.	S	Bend	trans	-98.6	104.8	176.5	-176.9	-5.1	0	0	0	109.4	D31 R39 T502 L503	D31-D500 PolarHBondContact OD2-N 3.44Å; D31-D500 VanDerWaalsContact OD2-N 3.15Å; R39-D500 IonicContact NE-OD2 3.38Å; D500-T502 PolarHBondContact O-N 3.03Å; D500-T502 WeakPolarHBondContact OD1-CB 3.44Å; D500-T502 PolarHBondContact OD1-N 3.26Å; D500-T502 PolarHBondContact OD1-OG1 2.98Å; D500-T502 PolarHBondContact OD2-OG1 2.92Å; D500-L503 HydrophobicContact CB-CD1 3.79Å; D500-L503 HydrophobicContact CB-CG 3.95Å; D500-L503 PolarHBondContact O-N 3.33Å
501	P	86.1	Confident	89.3	Confident	120 Å²	120	45.1 Å²	45.1	78%	0.779	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.1	-176.9	32.1	-36.6	0	0	0	113.3	K499 L503	K499-P501 WeakPolarHBondContact O-CD 3.43Å; P501-L503 VanDerWaalsContact C-N 3.33Å
502	T	89.8	Confident	89.8	Confident	56 Å²	56	41 Å²	41	34%	0.344	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.5	175.8	67.8	0	0	0	0	112.6	R39 P65 D500	R39-T502 PolarHBondContact NH2-OG1 2.77Å; P65-T502 WeakPolarHBondContact CD-O 3.29Å; P65-T502 VanDerWaalsContact CG-O 3.26Å; P65-T502 WeakPolarHBondContact CG-O 3.36Å; D500-T502 PolarHBondContact O-N 3.03Å; D500-T502 WeakPolarHBondContact OD1-CB 3.44Å; D500-T502 PolarHBondContact OD1-N 3.26Å; D500-T502 PolarHBondContact OD1-OG1 2.98Å; D500-T502 PolarHBondContact OD2-OG1 2.92Å
503	L	92.6	Very high	90.2	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.063	21%	0.213	C	C	.	.	S	Bend	trans	-70.2	154.6	178.2	-67.3	172.4	0	0	0	111.4	V30 D31 Y36 A59 P65 L67 D500 P501 E505	V30-L503 HydrophobicContact CG1-CD1 3.83Å; D31-L503 HydrophobicContact CB-CD1 3.68Å; Y36-L503 HydrophobicContact CE1-CD1 4.49Å; Y36-L503 WeakPolarHBondContact OH-CD2 3.23Å; A59-L503 HydrophobicContact CB-CD2 4.49Å; P65-L503 HydrophobicContact CB-CD2 4.47Å; P65-L503 HydrophobicContact CG-CD2 4.02Å; L67-L503 HydrophobicContact CD2-CD2 4.16Å; D500-L503 HydrophobicContact CB-CD1 3.79Å; D500-L503 HydrophobicContact CB-CG 3.95Å; D500-L503 PolarHBondContact O-N 3.33Å; P501-L503 VanDerWaalsContact C-N 3.33Å; L503-E505 PolarHBondContact O-N 2.78Å
504	P	92.9	Very high	90.3	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.058	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-54.7	135.4	174.5	-25.1	34.8	0	0	0	111.5	L67 Y85 F91 E506	L67-P504 HydrophobicContact CD1-CG 4.03Å; L67-P504 HydrophobicContact CG-CG 4.4Å; Y85-P504 HydrophobicContact CD1-CB 4.09Å; Y85-P504 HydrophobicContact CD1-CG 3.78Å; Y85-P504 HydrophobicContact CD2-CB 4.17Å; Y85-P504 HydrophobicContact CE1-CB 4.16Å; Y85-P504 HydrophobicContact CE1-CG 3.53Å; Y85-P504 HydrophobicContact CE2-CB 4.24Å; Y85-P504 HydrophobicContact CE2-CG 4.36Å; Y85-P504 HydrophobicContact CG-CB 4.1Å; Y85-P504 HydrophobicContact CG-CG 4.3Å; F91-P504 HydrophobicContact CE1-CB 3.75Å; F91-P504 HydrophobicContact CE1-CG 4.37Å; F91-P504 HydrophobicContact CZ-CB 3.86Å; P504-E506 PolarHBondContact O-N 3.37Å
505	E	93.6	Very high	90.3	Very high	76 Å²	76	37.1 Å²	37.1	36%	0.355	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-63.8	132.5	179	-165.7	175.1	166.5	0	0	110.6	T495 L503 H507	T495-E505 WeakPolarHBondContact CB-OE1 3.32Å; T495-E505 HydrophobicContact CG2-CG 3.73Å; T495-E505 WeakPolarHBondContact CG2-OE1 3.37Å; T495-E505 PolarHBondContact OG1-OE1 3.03Å; L503-E505 PolarHBondContact O-N 2.78Å; E505-H507 IonicContact OE1-CE1 3.84Å; E505-H507 PolarHBondContact OE1-CE1 3.18Å; E505-H507 IonicContact OE1-ND1 2.57Å; E505-H507 IonicContact OE1-NE2 3.47Å
506	E	95.2	Very high	90.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.			trans	-114.2	150.4	176.4	-72.6	-174.3	106.2	0	0	110.9	P29 V30 F91 T104 V105 L496 H498 P504	P29-E506 VanDerWaalsContact CA-OE2 3.22Å; P29-E506 WeakPolarHBondContact CA-OE2 3.22Å; V30-E506 PolarHBondContact N-OE2 2.75Å; F91-E506 HydrophobicContact CE2-CG 3.71Å; F91-E506 HydrophobicContact CZ-CG 3.62Å; T104-E506 WeakPolarHBondContact CA-OE1 3.12Å; T104-E506 VanDerWaalsContact CB-OE1 3.23Å; T104-E506 WeakPolarHBondContact CB-OE1 3.25Å; T104-E506 HydrophobicContact CG2-CB 4.09Å; V105-E506 PolarHBondContact N-OE1 3.48Å; L496-E506 HydrophobicContact CB-CB 4.35Å; L496-E506 WeakPolarHBondContact CB-O 3.06Å; L496-E506 HydrophobicContact CD1-CB 4.2Å; L496-E506 PolarHBondContact N-O 2.97Å; H498-E506 IonicContact CE1-OE2 3.31Å; H498-E506 PolarHBondContact CE1-OE2 3.34Å; H498-E506 IonicContact NE2-OE2 3.24Å; H498-E506 PolarHBondContact NE2-OE2 3.22Å; P504-E506 PolarHBondContact O-N 3.37Å
507	H	93.2	Very high	90	Very high	9 Å²	9	33.6 Å²	33.6	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.7	-175.6	-54	-91	0	0	0	113.8	H89 S103 T104 N493 Y494 E505	H89-H507 VanDerWaalsContact CB-CD2 3.49Å; H89-H507 WeakPolarHBondContact CB-CD2 3.12Å; H89-H507 WeakPolarHBondContact CB-NE2 3.42Å; H89-H507 AromaticContact CD2-NE2 3.26Å; H89-H507 PolarHBondContact CD2-NE2 3.36Å; H89-H507 VanDerWaalsContact CD2-NE2 3.26Å; H89-H507 AromaticContact CG-CD2 3.97Å; H89-H507 AromaticContact CG-NE2 3.34Å; H89-H507 VanDerWaalsContact CG-NE2 3.34Å; S103-H507 WeakPolarHBondContact CB-O 3.42Å; S103-H507 PolarHBondContact O-N 3.36Å; S103-H507 PolarHBondContact OG-O 3.39Å; T104-H507 WeakPolarHBondContact CG2-O 3.11Å; N493-H507 HydrophobicContact CB-CB 3.92Å; Y494-H507 CarbonylContact O-C 3.48Å; Y494-H507 WeakPolarHBondContact O-CA 2.99Å; E505-H507 IonicContact OE1-CE1 3.84Å; E505-H507 PolarHBondContact OE1-CE1 3.18Å; E505-H507 IonicContact OE1-ND1 2.57Å; E505-H507 IonicContact OE1-NE2 3.47Å
508	S	90.8	Very high	90	Very high	9 Å²	9	33 Å²	33	6%	0.063	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.2	163	-166.4	0	0	0	0	110.9	Y494 T510 G513 L514	Y494-S508 PolarHBondContact N-O 3.17Å; Y494-S508 PolarHBondContact O-N 3.17Å; S508-T510 PolarHBondContact O-N 3.2Å; S508-T510 PolarHBondContact OG-O 3.16Å; S508-G513 VanDerWaalsContact OG-CA 3.23Å; S508-G513 WeakPolarHBondContact OG-CA 3.4Å; S508-L514 PolarHBondContact OG-N 3.24Å; S508-L514 VanDerWaalsContact OG-N 3.14Å
509	I	86.2	Confident	89.9	Confident	123 Å²	123	30.8 Å²	30.8	63%	0.631	17%	0.165	S	C	*	.	S	Bend	trans	-72.4	-19.2	-179.5	-11.6	175.2	0	0	0	112.3	N493	N493-I509 WeakPolarHBondContact OD1-CG2 3.02Å
510	T	88.6	Confident	89.9	Confident	33 Å²	33	25.1 Å²	25.1	20%	0.202	14%	0.141	C	C	.	.	S	Bend	trans	-132	153	-176.9	68.9	0	0	0	0	111.7	S508 D512 G513 L514	S508-T510 PolarHBondContact O-N 3.2Å; S508-T510 PolarHBondContact OG-O 3.16Å; T510-D512 PolarHBondContact O-N 2.9Å; T510-G513 PolarHBondContact O-N 3.29Å; T510-G513 PolarHBondContact OG1-N 3.3Å; T510-L514 PolarHBondContact O-N 2.9Å; T510-L514 VanDerWaalsContact O-N 3.09Å
511	L	90.4	Very high	89.8	Confident	8 Å²	8	23.9 Å²	23.9	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-60.1	-39.6	173.3	174.5	62	0	0	0	111	R435 L438 L462 V485 P486 Y494 L514 L515	R435-L511 HydrophobicContact CB-CD2 3.85Å; L438-L511 HydrophobicContact CD1-CD2 4.46Å; L462-L511 HydrophobicContact CD1-CD2 4.08Å; V485-L511 HydrophobicContact CG1-CD1 4.17Å; V485-L511 HydrophobicContact CG1-CD2 3.68Å; P486-L511 HydrophobicContact CB-CD1 4.05Å; P486-L511 HydrophobicContact CG-CD1 3.77Å; Y494-L511 HydrophobicContact CD1-CD1 4.48Å; Y494-L511 HydrophobicContact CE1-CB 4.27Å; Y494-L511 HydrophobicContact CE1-CD1 3.96Å; Y494-L511 HydrophobicContact CE2-CB 4.03Å; Y494-L511 VanDerWaalsContact CE2-N 3.29Å; L511-L514 PolarHBondContact O-N 3.24Å; L511-L515 HydrophobicContact CD1-CD1 4.18Å; L511-L515 HydrophobicContact CD1-CG 4.09Å; L511-L515 HydrophobicContact CG-CD1 4.14Å; L511-L515 HydrophobicContact CG-CG 4.39Å; L511-L515 WeakPolarHBondContact O-CG 3.27Å; L511-L515 PolarHBondContact O-N 2.94Å
512	D	91.2	Very high	89.5	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-46.1	177.8	-168.9	54.7	0	0	0	110.7	L429 E430 L438 Y440 T510 L514 L515 K516	L429-D512 VanDerWaalsContact CA-OD2 3.25Å; L429-D512 WeakPolarHBondContact CA-OD2 3.27Å; E430-D512 PolarHBondContact N-OD2 2.88Å; L438-D512 HydrophobicContact CD2-CB 3.73Å; Y440-D512 VanDerWaalsContact CE1-OD1 3.22Å; Y440-D512 WeakPolarHBondContact CE1-OD1 3.42Å; Y440-D512 VanDerWaalsContact CZ-OD1 3.3Å; Y440-D512 PolarHBondContact OH-OD1 3.32Å; T510-D512 PolarHBondContact O-N 2.9Å; D512-L514 VanDerWaalsContact C-N 3.32Å; D512-L514 PolarHBondContact O-N 2.82Å; D512-L515 PolarHBondContact O-N 3.47Å; D512-L515 VanDerWaalsContact O-N 3.15Å; D512-K516 VanDerWaalsContact O-CB 3.25Å; D512-K516 WeakPolarHBondContact O-CB 3.47Å; D512-K516 WeakPolarHBondContact O-CG 3.22Å; D512-K516 PolarHBondContact O-N 2.86Å; D512-K516 WeakPolarHBondContact OD1-CE 3.42Å
513	G	90.3	Very high	89.1	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-54.8	-45.2	173.9	0	0	0	0	0	113.1	L429 S508 T510 T517	L429-G513 VanDerWaalsContact CD2-CA 3.5Å; S508-G513 VanDerWaalsContact OG-CA 3.23Å; S508-G513 WeakPolarHBondContact OG-CA 3.4Å; T510-G513 PolarHBondContact O-N 3.29Å; T510-G513 PolarHBondContact OG1-N 3.3Å; G513-T517 WeakPolarHBondContact O-CB 3.49Å; G513-T517 PolarHBondContact O-N 3.29Å; G513-T517 PolarHBondContact O-OG1 2.77Å
514	L	92.4	Very high	88.6	Confident	6 Å²	6	17.6 Å²	17.6	3%	0.031	9%	0.094	C	C	.	.	H	α-helix	trans	-59.8	-52.2	174.6	177.2	69.5	0	0	0	111.6	P486 Y494 L496 S508 T510 L511 D512 K516 T517 Y518	P486-L514 HydrophobicContact CB-CD2 3.55Å; P486-L514 HydrophobicContact CG-CD2 3.58Å; Y494-L514 HydrophobicContact CD1-CD2 3.83Å; Y494-L514 HydrophobicContact CG-CB 4.35Å; Y494-L514 HydrophobicContact CG-CD2 4.18Å; L496-L514 HydrophobicContact CD2-CD1 3.82Å; S508-L514 PolarHBondContact OG-N 3.24Å; S508-L514 VanDerWaalsContact OG-N 3.14Å; T510-L514 PolarHBondContact O-N 2.9Å; T510-L514 VanDerWaalsContact O-N 3.09Å; L511-L514 PolarHBondContact O-N 3.24Å; D512-L514 VanDerWaalsContact C-N 3.32Å; D512-L514 PolarHBondContact O-N 2.82Å; L514-K516 PolarHBondContact O-N 3.14Å; L514-T517 WeakPolarHBondContact O-CB 3.49Å; L514-T517 PolarHBondContact O-N 2.63Å; L514-Y518 HydrophobicContact CD1-CD2 4.17Å; L514-Y518 HydrophobicContact CD1-CE2 3.69Å; L514-Y518 HydrophobicContact CD2-CE2 4.36Å; L514-Y518 HydrophobicContact CG-CD2 4.11Å; L514-Y518 HydrophobicContact CG-CE2 3.88Å; L514-Y518 VanDerWaalsContact O-CD2 3.3Å; L514-Y518 WeakPolarHBondContact O-CD2 3.22Å; L514-Y518 PolarHBondContact O-N 2.82Å; L514-Y518 VanDerWaalsContact O-N 3.1Å
515	L	92.1	Very high	88.3	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.7	-40.6	-176.3	-66.9	-179	0	0	0	111.8	Y440 L462 L472 P486 L511 D512 T517 Y518 V519 F532	Y440-L515 HydrophobicContact CE2-CD1 4.06Å; L462-L515 HydrophobicContact CD1-CD1 4.43Å; L472-L515 HydrophobicContact CD1-CD1 4.22Å; L472-L515 HydrophobicContact CD2-CD2 3.65Å; P486-L515 HydrophobicContact CG-CD2 4.44Å; L511-L515 HydrophobicContact CD1-CD1 4.18Å; L511-L515 HydrophobicContact CD1-CG 4.09Å; L511-L515 HydrophobicContact CG-CD1 4.14Å; L511-L515 HydrophobicContact CG-CG 4.39Å; L511-L515 WeakPolarHBondContact O-CG 3.27Å; L511-L515 PolarHBondContact O-N 2.94Å; D512-L515 PolarHBondContact O-N 3.47Å; D512-L515 VanDerWaalsContact O-N 3.15Å; L515-T517 VanDerWaalsContact C-N 3.29Å; L515-T517 PolarHBondContact O-N 3.41Å; L515-Y518 WeakPolarHBondContact O-CB 3.49Å; L515-Y518 PolarHBondContact O-N 3.16Å; L515-Y518 VanDerWaalsContact O-N 3.17Å; L515-V519 WeakPolarHBondContact O-CG2 3.49Å; L515-V519 PolarHBondContact O-N 3.32Å; L515-F532 HydrophobicContact CD2-CE2 4.5Å
516	K	89.5	Confident	87.5	Confident	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-68.1	-29.8	177	-61.8	-75.3	-179.1	174	0	111.5	P26 K425 D426 M428 L429 D512 L514 V519 L520	P26-K516 HydrophobicContact CB-CB 3.84Å; P26-K516 HydrophobicContact CG-CB 3.79Å; K425-K516 PolarHBondContact O-NZ 2.89Å; D426-K516 WeakPolarHBondContact O-CD 3.21Å; D426-K516 WeakPolarHBondContact O-CE 3.46Å; D426-K516 PolarHBondContact O-NZ 2.93Å; M428-K516 WeakPolarHBondContact O-CE 3.42Å; L429-K516 HydrophobicContact CD2-CB 3.91Å; L429-K516 HydrophobicContact CD2-CG 3.97Å; D512-K516 VanDerWaalsContact O-CB 3.25Å; D512-K516 WeakPolarHBondContact O-CB 3.47Å; D512-K516 WeakPolarHBondContact O-CG 3.22Å; D512-K516 PolarHBondContact O-N 2.86Å; D512-K516 WeakPolarHBondContact OD1-CE 3.42Å; L514-K516 PolarHBondContact O-N 3.14Å; K516-V519 PolarHBondContact O-N 2.98Å; K516-L520 VanDerWaalsContact O-CB 3.29Å; K516-L520 WeakPolarHBondContact O-CB 3.25Å; K516-L520 PolarHBondContact O-N 3.23Å
517	T	89.8	Confident	86.2	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.9	-44.7	169.1	-55.8	0	0	0	0	111.4	S27 P29 L496 G513 L514 L515 V519 L520 C521	S27-T517 VanDerWaalsContact O-CG2 3.26Å; S27-T517 WeakPolarHBondContact O-CG2 3.35Å; S27-T517 PolarHBondContact O-OG1 2.82Å; P29-T517 HydrophobicContact CG-CG2 4.06Å; L496-T517 HydrophobicContact CD2-CG2 3.95Å; G513-T517 WeakPolarHBondContact O-CB 3.49Å; G513-T517 PolarHBondContact O-N 3.29Å; G513-T517 PolarHBondContact O-OG1 2.77Å; L514-T517 WeakPolarHBondContact O-CB 3.49Å; L514-T517 PolarHBondContact O-N 2.63Å; L515-T517 VanDerWaalsContact C-N 3.29Å; L515-T517 PolarHBondContact O-N 3.41Å; T517-V519 VanDerWaalsContact C-N 3.31Å; T517-V519 PolarHBondContact O-N 3.45Å; T517-L520 PolarHBondContact O-N 3.26Å; T517-C521 VanDerWaalsContact O-CB 3.3Å; T517-C521 WeakPolarHBondContact O-CB 3.39Å; T517-C521 PolarHBondContact O-N 2.78Å; T517-C521 PolarHBondContact O-SG 2.8Å
518	Y	89.7	Confident	85.3	Confident	13 Å²	13	26.9 Å²	26.9	5%	0.051	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-38.7	174.5	-82	-77	0	0	0	112.5	P497 L514 L515 Q522 I523 Y525 F532	P497-Y518 HydrophobicContact CB-CE1 4.48Å; P497-Y518 HydrophobicContact CG-CE1 3.87Å; P497-Y518 HydrophobicContact CG-CE2 4.42Å; L514-Y518 HydrophobicContact CD1-CD2 4.17Å; L514-Y518 HydrophobicContact CD1-CE2 3.69Å; L514-Y518 HydrophobicContact CD2-CE2 4.36Å; L514-Y518 HydrophobicContact CG-CD2 4.11Å; L514-Y518 HydrophobicContact CG-CE2 3.88Å; L514-Y518 VanDerWaalsContact O-CD2 3.3Å; L514-Y518 WeakPolarHBondContact O-CD2 3.22Å; L514-Y518 PolarHBondContact O-N 2.82Å; L514-Y518 VanDerWaalsContact O-N 3.1Å; L515-Y518 WeakPolarHBondContact O-CB 3.49Å; L515-Y518 PolarHBondContact O-N 3.16Å; L515-Y518 VanDerWaalsContact O-N 3.17Å; Y518-Q522 WeakPolarHBondContact O-CA 3.29Å; Y518-Q522 PolarHBondContact O-N 3.12Å; Y518-I523 HydrophobicContact CD1-CB 3.78Å; Y518-I523 HydrophobicContact CD1-CG2 4.19Å; Y518-I523 VanDerWaalsContact CD1-O 3.3Å; Y518-I523 WeakPolarHBondContact CD1-O 3.1Å; Y518-I523 HydrophobicContact CE1-CB 4.05Å; Y518-I523 HydrophobicContact CE1-CG2 3.93Å; Y518-I523 PolarHBondContact O-N 3.38Å; Y518-Y525 HydrophobicContact CD1-CD2 4.44Å; Y518-Y525 HydrophobicContact CD2-CD2 4.15Å; Y518-Y525 HydrophobicContact CE1-CD2 4.16Å; Y518-Y525 AromaticContact CE2-CD2 3.85Å; Y518-Y525 HydrophobicContact CE2-CD2 3.85Å; Y518-Y525 HydrophobicContact CE2-CE2 4.2Å; Y518-Y525 HydrophobicContact CG-CD2 4.45Å; Y518-Y525 AromaticContact CZ-CD2 3.86Å; Y518-F532 HydrophobicContact CG-CD2 4.42Å
519	V	86.8	Confident	84.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-53.6	174.4	175.2	0	0	0	0	110.5	I427 Y460 L515 K516 T517 C521 Q522 F532 R533	I427-V519 HydrophobicContact CG2-CB 4.45Å; I427-V519 HydrophobicContact CG2-CG1 3.78Å; Y460-V519 HydrophobicContact CE1-CG2 3.72Å; L515-V519 WeakPolarHBondContact O-CG2 3.49Å; L515-V519 PolarHBondContact O-N 3.32Å; K516-V519 PolarHBondContact O-N 2.98Å; T517-V519 VanDerWaalsContact C-N 3.31Å; T517-V519 PolarHBondContact O-N 3.45Å; V519-C521 PolarHBondContact O-N 2.91Å; V519-Q522 PolarHBondContact O-N 3.27Å; V519-Q522 PolarHBondContact O-NE2 3.24Å; V519-F532 HydrophobicContact CG2-CB 3.5Å; V519-F532 VanDerWaalsContact CG2-CB 3.5Å; V519-R533 WeakPolarHBondContact CG1-O 3.32Å
520	L	82.1	Confident	84.3	Confident	8 Å²	8	22.6 Å²	22.6	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-45.5	-174.3	-179.8	59.6	0	0	0	112.2	Y8 P26 I28 Q238 I427 K516 T517	Y8-L520 HydrophobicContact CD1-CD1 4.47Å; Y8-L520 HydrophobicContact CD2-CD1 3.68Å; Y8-L520 HydrophobicContact CE2-CD1 4.22Å; Y8-L520 HydrophobicContact CG-CD1 3.8Å; P26-L520 HydrophobicContact CG-CB 4.34Å; P26-L520 HydrophobicContact CG-CD2 3.85Å; I28-L520 HydrophobicContact CD1-CD2 3.91Å; I28-L520 HydrophobicContact CG1-CD2 3.71Å; Q238-L520 PolarHBondContact NE2-O 3.42Å; I427-L520 HydrophobicContact CD1-CD1 4.1Å; I427-L520 HydrophobicContact CG2-CB 4.16Å; I427-L520 HydrophobicContact CG2-CD1 4.3Å; K516-L520 VanDerWaalsContact O-CB 3.29Å; K516-L520 WeakPolarHBondContact O-CB 3.25Å; K516-L520 PolarHBondContact O-N 3.23Å; T517-L520 PolarHBondContact O-N 3.26Å
521	C	82.3	Confident	84.1	Confident	16 Å²	16	21.1 Å²	21.1	11%	0.108	12%	0.116	C	C	.	.	H	α-helix	trans	-89	-6.2	-176.1	-57.7	0	0	0	0	113.3	Q32 T517 V519 I523	Q32-C521 HydrophobicContact CB-CB 4.5Å; Q32-C521 HydrophobicContact CG-CB 4.22Å; T517-C521 VanDerWaalsContact O-CB 3.3Å; T517-C521 WeakPolarHBondContact O-CB 3.39Å; T517-C521 PolarHBondContact O-N 2.78Å; T517-C521 PolarHBondContact O-SG 2.8Å; V519-C521 PolarHBondContact O-N 2.91Å; C521-I523 VanDerWaalsContact C-N 3.32Å; C521-I523 HydrophobicContact CB-CD1 3.56Å; C521-I523 HydrophobicContact CB-CG1 3.59Å; C521-I523 PolarHBondContact O-N 3.26Å
522	Q	80.3	Confident	84	Confident	6 Å²	6	20.8 Å²	20.8	3%	0.028	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	56.8	-172	-68.5	-67.3	-55.6	0	0	111.5	Q238 K247 Y518 V519 F531 F532	Q238-Q522 HydrophobicContact CB-CG 4.07Å; Q238-Q522 HydrophobicContact CG-CG 3.94Å; K247-Q522 VanDerWaalsContact CE-O 3.26Å; K247-Q522 WeakPolarHBondContact CE-O 3.2Å; K247-Q522 PolarHBondContact NZ-O 3.02Å; Y518-Q522 WeakPolarHBondContact O-CA 3.29Å; Y518-Q522 PolarHBondContact O-N 3.12Å; V519-Q522 PolarHBondContact O-N 3.27Å; V519-Q522 PolarHBondContact O-NE2 3.24Å; Q522-F531 HydrophobicContact CB-CD1 4.03Å; Q522-F531 HydrophobicContact CB-CE1 4.5Å; Q522-F531 WeakPolarHBondContact O-CD1 3.36Å; Q522-F531 WeakPolarHBondContact O-CE1 3.44Å; Q522-F532 PolarHBondContact NE2-O 3.48Å
523	I	80.6	Confident	83.4	Confident	17 Å²	17	22.4 Å²	22.4	9%	0.087	12%	0.12	C	C	.	.			trans	-89.8	139.5	178.7	-59.2	170.1	0	0	0	108.1	P29 Q32 P497 Y518 C521 Y525	P29-I523 HydrophobicContact CG-CD1 4.36Å; Q32-I523 HydrophobicContact CG-CD1 4.02Å; P497-I523 HydrophobicContact CB-CD1 4.49Å; P497-I523 HydrophobicContact CB-CG2 3.96Å; P497-I523 HydrophobicContact CG-CB 4.3Å; P497-I523 HydrophobicContact CG-CD1 3.62Å; P497-I523 HydrophobicContact CG-CG2 3.81Å; Y518-I523 HydrophobicContact CD1-CB 3.78Å; Y518-I523 HydrophobicContact CD1-CG2 4.19Å; Y518-I523 VanDerWaalsContact CD1-O 3.3Å; Y518-I523 WeakPolarHBondContact CD1-O 3.1Å; Y518-I523 HydrophobicContact CE1-CB 4.05Å; Y518-I523 HydrophobicContact CE1-CG2 3.93Å; Y518-I523 PolarHBondContact O-N 3.38Å; C521-I523 VanDerWaalsContact C-N 3.32Å; C521-I523 HydrophobicContact CB-CD1 3.56Å; C521-I523 HydrophobicContact CB-CG1 3.59Å; C521-I523 PolarHBondContact O-N 3.26Å; I523-Y525 PolarHBondContact O-N 3.39Å
524	P	82.6	Confident	83	Confident	33 Å²	33	25.1 Å²	25.1	21%	0.214	13%	0.134	C	C	.	.			trans	-60.5	126.5	172.6	-17.3	27.8	0	0	0	110.4	K526 K528 F531	P524-K526 PolarHBondContact O-N 2.99Å; P524-K526 VanDerWaalsContact O-N 3.13Å; P524-K528 CarbonylContact C-O 3.57Å; P524-K528 VanDerWaalsContact CB-O 3.31Å; P524-K528 WeakPolarHBondContact CB-O 3.15Å; P524-F531 HydrophobicContact CB-CZ 4.16Å; P524-F531 HydrophobicContact CG-CE1 3.99Å; P524-F531 HydrophobicContact CG-CZ 3.72Å
525	Y	86.3	Confident	82.8	Confident	3 Å²	3	25.8 Å²	25.8	1%	0.012	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-67.6	113.3	-177	-178.9	-102.1	0	0	0	112.3	L472 L483 P484 P486 Y518 I523 G527 K528 I530 F532	L472-Y525 HydrophobicContact CD2-CE2 4.26Å; L483-Y525 HydrophobicContact CB-CE1 4.12Å; L483-Y525 HydrophobicContact CD1-CD1 3.61Å; L483-Y525 HydrophobicContact CD1-CE1 3.85Å; L483-Y525 HydrophobicContact CD1-CG 4.41Å; L483-Y525 HydrophobicContact CG-CE1 4.45Å; P484-Y525 PolarHBondContact O-OH 2.56Å; P486-Y525 WeakPolarHBondContact CD-OH 3.31Å; P486-Y525 HydrophobicContact CG-CE2 3.94Å; P486-Y525 VanDerWaalsContact CG-OH 3.23Å; P486-Y525 WeakPolarHBondContact CG-OH 3.32Å; Y518-Y525 HydrophobicContact CD1-CD2 4.44Å; Y518-Y525 HydrophobicContact CD2-CD2 4.15Å; Y518-Y525 HydrophobicContact CE1-CD2 4.16Å; Y518-Y525 AromaticContact CE2-CD2 3.85Å; Y518-Y525 HydrophobicContact CE2-CD2 3.85Å; Y518-Y525 HydrophobicContact CE2-CE2 4.2Å; Y518-Y525 HydrophobicContact CG-CD2 4.45Å; Y518-Y525 AromaticContact CZ-CD2 3.86Å; I523-Y525 PolarHBondContact O-N 3.39Å; Y525-G527 PolarHBondContact O-N 3.39Å; Y525-K528 PolarHBondContact N-O 3.13Å; Y525-K528 WeakPolarHBondContact O-CB 3.32Å; Y525-K528 PolarHBondContact O-N 3.06Å; Y525-I530 PolarHBondContact N-O 2.54Å; Y525-F532 HydrophobicContact CD1-CZ 4.47Å; Y525-F532 AromaticContact CD2-CE2 3.53Å; Y525-F532 HydrophobicContact CD2-CE2 3.53Å; Y525-F532 AromaticContact CD2-CZ 3.97Å; Y525-F532 HydrophobicContact CD2-CZ 3.97Å; Y525-F532 HydrophobicContact CE2-CE2 4.3Å; Y525-F532 AromaticContact CG-CE2 3.73Å; Y525-F532 HydrophobicContact CG-CE2 3.73Å; Y525-F532 AromaticContact CG-CZ 3.91Å; Y525-F532 HydrophobicContact CG-CZ 3.91Å
526	K	78.3	Confident	82.6	Confident	119 Å²	119	26.2 Å²	26.2	52%	0.517	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	47.3	43.8	178.4	-64	-169.3	172.4	-169.5	0	113.3	P524 K528	P524-K526 PolarHBondContact O-N 2.99Å; P524-K526 VanDerWaalsContact O-N 3.13Å; K526-K528 PolarHBondContact O-N 3.15Å
527	G	67.9	Low	82.4	Confident	62 Å²	62	27.4 Å²	27.4	64%	0.639	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	73.6	0.1	-179.9	0	0	0	0	0	115.4	Y525	Y525-G527 PolarHBondContact O-N 3.39Å
528	K	72.8	Confident	82	Confident	106 Å²	106	30.9 Å²	30.9	46%	0.461	16%	0.164	S	C	.	.	S	Bend	trans	-85.2	139.7	170.2	-57.5	-175	176.8	-175.2	0	109	L483 P524 Y525 K526 I530	L483-K528 HydrophobicContact CD2-CD 3.92Å; P524-K528 CarbonylContact C-O 3.57Å; P524-K528 VanDerWaalsContact CB-O 3.31Å; P524-K528 WeakPolarHBondContact CB-O 3.15Å; Y525-K528 PolarHBondContact N-O 3.13Å; Y525-K528 WeakPolarHBondContact O-CB 3.32Å; Y525-K528 PolarHBondContact O-N 3.06Å; K526-K528 PolarHBondContact O-N 3.15Å; K528-I530 HydrophobicContact CB-CD1 3.92Å; K528-I530 HydrophobicContact CB-CG1 4.08Å; K528-I530 HydrophobicContact CD-CD1 4.24Å; K528-I530 PolarHBondContact O-N 3.34Å
529	R	73.6	Confident	81.4	Confident	37 Å²	37	40.6 Å²	40.6	14%	0.14	20%	0.201	C	C	.	.	S	Bend	trans	-60.8	55.8	169.8	-83.8	154.5	-155.5	-176.6	72.5	110.9	W192 E193 E195 W476	W192-R529 HydrophobicContact CD2-CG 4.16Å; W192-R529 HydrophobicContact CG-CG 4.15Å; W192-R529 HydrophobicContact CZ2-CB 4.44Å; W192-R529 HydrophobicContact CZ2-CG 4.3Å; W192-R529 PolarHBondContact O-NE 2.98Å; W192-R529 PolarHBondContact O-NH1 2.74Å; W192-R529 PolarHBondContact O-NH2 3.28Å; E193-R529 HydrophobicContact CB-CG 4.12Å; E193-R529 HydrophobicContact CG-CB 4.28Å; E193-R529 HydrophobicContact CG-CG 3.42Å; E193-R529 VanDerWaalsContact CG-CG 3.42Å; E193-R529 WeakPolarHBondContact OE1-CA 3.4Å; E193-R529 WeakPolarHBondContact OE1-CB 3.46Å; E193-R529 WeakPolarHBondContact OE1-CD 3.39Å; E193-R529 WeakPolarHBondContact OE1-CG 3.31Å; E193-R529 PolarHBondContact OE1-N 3.01Å; E193-R529 IonicContact OE1-NE 2.94Å; E193-R529 PolarHBondContact OE1-NE 2.98Å; E193-R529 WeakPolarHBondContact OE2-CD 3.43Å; E193-R529 IonicContact OE2-CZ 3.72Å; E193-R529 IonicContact OE2-NE 3.75Å; E193-R529 PolarHBondContact OE2-NE 2.81Å; E193-R529 IonicContact OE2-NH2 2.67Å; E193-R529 PolarHBondContact OE2-NH2 3.4Å; E195-R529 IonicContact OE2-CZ 3.1Å; E195-R529 IonicContact OE2-NH1 3.1Å; E195-R529 PolarHBondContact OE2-NH1 3.05Å; E195-R529 IonicContact OE2-NH2 2.92Å; E195-R529 PolarHBondContact OE2-NH2 3.24Å; W476-R529 PolarHBondContact NE1-O 3.33Å
530	I	82.9	Confident	81	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.026	22%	0.218	C	C	.	.			trans	-130.9	123.9	-178.3	-59.5	172.5	0	0	0	106.8	V474 W476 H481 L483 Y525 K528	V474-I530 HydrophobicContact CB-CG2 4.32Å; V474-I530 HydrophobicContact CG1-CG2 3.31Å; V474-I530 HydrophobicContact CG2-CG2 4.05Å; W476-I530 HydrophobicContact CB-CG2 4.37Å; H481-I530 HydrophobicContact CB-CD1 3.71Å; L483-I530 HydrophobicContact CD1-CD1 3.88Å; L483-I530 HydrophobicContact CD1-CG2 4.14Å; L483-I530 HydrophobicContact CD2-CD1 3.77Å; L483-I530 HydrophobicContact CG-CD1 4.28Å; Y525-I530 PolarHBondContact N-O 2.54Å; K528-I530 HydrophobicContact CB-CD1 3.92Å; K528-I530 HydrophobicContact CB-CG1 4.08Å; K528-I530 HydrophobicContact CD-CD1 4.24Å; K528-I530 PolarHBondContact O-N 3.34Å
531	F	84.5	Confident	81	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.009	22%	0.217	C	C	.	.			trans	-121.9	142.9	-178.3	-59.8	-104.1	0	0	0	108.5	W192 L245 G458 W476 Q522 P524	W192-F531 AromaticContact CH2-CD2 3.91Å; W192-F531 HydrophobicContact CH2-CD2 3.91Å; W192-F531 AromaticContact CH2-CE2 3.09Å; W192-F531 HydrophobicContact CH2-CE2 3.09Å; W192-F531 AromaticContact CH2-CZ 3.46Å; W192-F531 HydrophobicContact CH2-CZ 3.46Å; W192-F531 VanDerWaalsContact CH2-CZ 3.46Å; W192-F531 HydrophobicContact CZ2-CD2 4.25Å; W192-F531 AromaticContact CZ2-CE2 3.56Å; W192-F531 HydrophobicContact CZ2-CE2 3.56Å; W192-F531 HydrophobicContact CZ2-CZ 4.32Å; W192-F531 AromaticContact CZ3-CE2 3.9Å; W192-F531 HydrophobicContact CZ3-CE2 3.9Å; W192-F531 AromaticContact CZ3-CZ 3.81Å; W192-F531 HydrophobicContact CZ3-CZ 3.81Å; L245-F531 HydrophobicContact CD1-CB 4.02Å; L245-F531 HydrophobicContact CD1-CD1 3.42Å; L245-F531 VanDerWaalsContact CD1-CD1 3.42Å; L245-F531 HydrophobicContact CD1-CD2 3.87Å; L245-F531 HydrophobicContact CD1-CE1 3.72Å; L245-F531 HydrophobicContact CD1-CE2 4.19Å; L245-F531 HydrophobicContact CD1-CG 3.48Å; L245-F531 VanDerWaalsContact CD1-CG 3.48Å; L245-F531 HydrophobicContact CD1-CZ 4.09Å; G458-F531 WeakPolarHBondContact CA-O 3.42Å; W476-F531 HydrophobicContact CD2-CD2 4.48Å; W476-F531 AromaticContact CE2-CD2 3.8Å; W476-F531 HydrophobicContact CE3-CB 4.21Å; W476-F531 HydrophobicContact CH2-CB 3.71Å; W476-F531 AromaticContact CH2-CD2 3.88Å; W476-F531 HydrophobicContact CH2-CD2 3.88Å; W476-F531 HydrophobicContact CH2-CG 4.06Å; W476-F531 HydrophobicContact CZ2-CB 4.17Å; W476-F531 AromaticContact CZ2-CD2 3.46Å; W476-F531 HydrophobicContact CZ2-CD2 3.46Å; W476-F531 VanDerWaalsContact CZ2-CD2 3.46Å; W476-F531 HydrophobicContact CZ2-CE2 4.22Å; W476-F531 HydrophobicContact CZ2-CG 4.12Å; W476-F531 HydrophobicContact CZ3-CB 3.73Å; Q522-F531 HydrophobicContact CB-CD1 4.03Å; Q522-F531 HydrophobicContact CB-CE1 4.5Å; Q522-F531 WeakPolarHBondContact O-CD1 3.36Å; Q522-F531 WeakPolarHBondContact O-CE1 3.44Å; P524-F531 HydrophobicContact CB-CZ 4.16Å; P524-F531 HydrophobicContact CG-CE1 3.99Å; P524-F531 HydrophobicContact CG-CZ 3.72Å
532	F	87.6	Confident	81	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.			trans	-99.8	144.4	176.5	-56.4	-69.2	0	0	0	109.1	Y460 L472 V474 L483 L515 Y518 V519 Q522 Y525	Y460-F532 HydrophobicContact CD1-CB 3.78Å; Y460-F532 HydrophobicContact CD1-CD1 4.05Å; Y460-F532 HydrophobicContact CD1-CG 4.31Å; Y460-F532 HydrophobicContact CD2-CD1 4.09Å; Y460-F532 HydrophobicContact CE1-CB 3.95Å; Y460-F532 HydrophobicContact CG-CB 4.24Å; Y460-F532 AromaticContact CG-CD1 3.64Å; Y460-F532 HydrophobicContact CG-CD1 3.64Å; Y460-F532 HydrophobicContact CG-CE1 4.44Å; Y460-F532 HydrophobicContact CG-CG 4.27Å; L472-F532 HydrophobicContact CD1-CE1 4.23Å; L472-F532 HydrophobicContact CD2-CE1 3.77Å; L472-F532 HydrophobicContact CD2-CE2 4.14Å; L472-F532 HydrophobicContact CD2-CZ 3.35Å; L472-F532 HydrophobicContact CG-CE1 3.91Å; L472-F532 HydrophobicContact CG-CZ 4Å; V474-F532 HydrophobicContact CB-CD1 3.98Å; V474-F532 HydrophobicContact CB-CE1 3.69Å; V474-F532 HydrophobicContact CG1-CD1 4.45Å; V474-F532 HydrophobicContact CG1-CE1 3.75Å; V474-F532 HydrophobicContact CG2-CD1 3.76Å; V474-F532 HydrophobicContact CG2-CE1 3.92Å; L483-F532 HydrophobicContact CD1-CZ 4.2Å; L515-F532 HydrophobicContact CD2-CE2 4.5Å; Y518-F532 HydrophobicContact CG-CD2 4.42Å; V519-F532 HydrophobicContact CG2-CB 3.5Å; V519-F532 VanDerWaalsContact CG2-CB 3.5Å; Q522-F532 PolarHBondContact NE2-O 3.48Å; Y525-F532 HydrophobicContact CD1-CZ 4.47Å; Y525-F532 AromaticContact CD2-CE2 3.53Å; Y525-F532 HydrophobicContact CD2-CE2 3.53Å; Y525-F532 AromaticContact CD2-CZ 3.97Å; Y525-F532 HydrophobicContact CD2-CZ 3.97Å; Y525-F532 HydrophobicContact CE2-CE2 4.3Å; Y525-F532 AromaticContact CG-CE2 3.73Å; Y525-F532 HydrophobicContact CG-CE2 3.73Å; Y525-F532 AromaticContact CG-CZ 3.91Å; Y525-F532 HydrophobicContact CG-CZ 3.91Å
533	R	79.5	Confident	81	Confident	35 Å²	35	52.4 Å²	52.4	13%	0.132	26%	0.263	C	S	.	.			trans	-135.2	-68.5	178.1	-66.3	-173.9	-172.3	-146.3	-2	111.6	Q238 P240 D426 E457 G458 V519	Q238-R533 PolarHBondContact O-NH1 2.68Å; Q238-R533 PolarHBondContact O-NH2 3.08Å; P240-R533 VanDerWaalsContact CD-NH2 3.33Å; D426-R533 WeakPolarHBondContact CB-O 2.98Å; E457-R533 WeakPolarHBondContact O-CD 3.01Å; G458-R533 PolarHBondContact O-N 3.07Å; V519-R533 WeakPolarHBondContact CG1-O 3.32Å
534	N	82.5	Confident	80.9	Confident	58 Å²	58	55 Å²	55	31%	0.31	27%	0.274	S	S	.	.			trans	-108.6	126.8	-170.7	-39.6	-53	0	0	0	109.7	D426 G458 D459 Y460	D426-N534 WeakPolarHBondContact OD1-CA 3.4Å; G458-N534 PolarHBondContact O-N 2.88Å; D459-N534 WeakPolarHBondContact CA-O 2.9Å; D459-N534 WeakPolarHBondContact OD1-CB 3.41Å; D459-N534 PolarHBondContact OD1-ND2 2.79Å; Y460-N534 VanDerWaalsContact CD1-O 3.23Å; Y460-N534 WeakPolarHBondContact CD1-O 3.32Å; Y460-N534 PolarHBondContact N-O 3.11Å
535	V	87.8	Confident	80.7	Confident	21 Å²	21	55.8 Å²	55.8	13%	0.127	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-86.9	123.6	-179.5	76.9	0	0	0	0	110.1	D426 Y440 Y460 S537	D426-V535 WeakPolarHBondContact OD1-CG1 3.37Å; D426-V535 PolarHBondContact OD1-N 3.19Å; Y440-V535 HydrophobicContact CD1-CG2 3.36Å; Y440-V535 HydrophobicContact CD2-CG2 3.82Å; Y440-V535 HydrophobicContact CE1-CG2 4Å; Y440-V535 HydrophobicContact CE2-CG2 4.39Å; Y440-V535 HydrophobicContact CG-CG2 3.23Å; Y460-V535 HydrophobicContact CE1-CB 3.79Å; Y460-V535 HydrophobicContact CE1-CG2 4.12Å; Y460-V535 HydrophobicContact CE2-CB 4.44Å; Y460-V535 HydrophobicContact CE2-CG2 3.86Å; V535-S537 PolarHBondContact O-N 3.05Å
536	L	88.1	Confident	80.1	Confident	9 Å²	9	60 Å²	60	5%	0.047	30%	0.302	C	S	.	.			trans	-88.2	98	176	-94.2	82.9	0	0	0	111.6	Y440 L453 L454 D459 Y460 L461 V541	Y440-L536 WeakPolarHBondContact CA-O 3.36Å; Y440-L536 WeakPolarHBondContact CB-O 3.45Å; L453-L536 HydrophobicContact CB-CD2 4.1Å; L453-L536 VanDerWaalsContact O-CD2 3.25Å; L453-L536 WeakPolarHBondContact O-CD2 3.27Å; L454-L536 HydrophobicContact CD2-CD1 4.05Å; L454-L536 HydrophobicContact CD2-CD2 4.19Å; D459-L536 HydrophobicContact CB-CD1 3.74Å; Y460-L536 PolarHBondContact O-N 2.75Å; L461-L536 HydrophobicContact CB-CB 4.33Å; L461-L536 HydrophobicContact CD2-CB 4.48Å; L536-V541 HydrophobicContact CB-CG2 4.37Å; L536-V541 HydrophobicContact CD2-CG2 4.49Å
537	S	83.8	Confident	79	Confident	26 Å²	26	59.3 Å²	59.3	18%	0.182	30%	0.304	C	S	.	.			trans	-64.3	152.1	174.7	82.5	0	0	0	0	113	S439 V535 R539 T540 V541	S439-S537 CarbonylContact O-C 3.49Å; S439-S537 WeakPolarHBondContact O-CA 3.06Å; V535-S537 PolarHBondContact O-N 3.05Å; S537-R539 PolarHBondContact O-N 3.42Å; S537-R539 PolarHBondContact OG-N 3.34Å; S537-T540 WeakPolarHBondContact O-CA 3.5Å; S537-T540 WeakPolarHBondContact O-CB 3.25Å; S537-T540 PolarHBondContact O-N 3.45Å; S537-T540 PolarHBondContact OG-N 2.86Å; S537-T540 PolarHBondContact OG-OG1 3.12Å; S537-V541 WeakPolarHBondContact O-CG2 3.42Å; S537-V541 PolarHBondContact O-N 3.12Å
538	K	82.6	Confident	77.9	Confident	72 Å²	72	60.6 Å²	60.6	31%	0.313	30%	0.3	S	S	.	.	H	α-helix	trans	-47.4	-39.8	169.2	-75.7	163.4	-174	168.2	0	111.4	Y436 L438 S439 Y441 V541 K542	Y436-K538 PolarHBondContact O-NZ 2.91Å; L438-K538 VanDerWaalsContact O-CE 3.31Å; L438-K538 WeakPolarHBondContact O-CE 3.23Å; L438-K538 PolarHBondContact O-NZ 3.02Å; L438-K538 VanDerWaalsContact O-NZ 3.08Å; S439-K538 WeakPolarHBondContact O-CB 3.44Å; S439-K538 WeakPolarHBondContact O-CG 3.48Å; S439-K538 PolarHBondContact O-N 3.07Å; Y441-K538 WeakPolarHBondContact O-CE 3Å; K538-V541 PolarHBondContact O-N 3.32Å; K538-K542 WeakPolarHBondContact O-CB 3.46Å; K538-K542 VanDerWaalsContact O-CG 3.32Å; K538-K542 WeakPolarHBondContact O-CG 3.46Å; K538-K542 PolarHBondContact O-N 3.43Å
539	R	77.4	Confident	76.2	Confident	217 Å²	217	60.4 Å²	60.4	82%	0.819	31%	0.312	S	S	*	.	H	α-helix	trans	-64.2	-47	177.7	-74.9	-175.1	-178.3	169.3	2.1	110.9	S537 K542 S543	S537-R539 PolarHBondContact O-N 3.42Å; S537-R539 PolarHBondContact OG-N 3.34Å; R539-K542 PolarHBondContact O-N 2.8Å; R539-S543 PolarHBondContact O-N 2.01Å
540	T	78.7	Confident	74.3	Confident	60 Å²	60	63 Å²	63	37%	0.368	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-44.5	176.4	-47.1	0	0	0	0	111.1	S537 S543 K544	S537-T540 WeakPolarHBondContact O-CA 3.5Å; S537-T540 WeakPolarHBondContact O-CB 3.25Å; S537-T540 PolarHBondContact O-N 3.45Å; S537-T540 PolarHBondContact OG-N 2.86Å; S537-T540 PolarHBondContact OG-OG1 3.12Å; T540-S543 PolarHBondContact O-N 2.87Å; T540-K544 PolarHBondContact O-N 3.11Å
541	V	81.1	Confident	71.7	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.024	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-48.1	177.6	170.1	0	0	0	0	111.3	L453 L536 S537 K538 S543 K544 L545	L453-V541 HydrophobicContact CD1-CB 4.44Å; L453-V541 HydrophobicContact CD1-CG1 3.67Å; L453-V541 HydrophobicContact CD1-CG2 4.11Å; L453-V541 HydrophobicContact CD2-CB 4.32Å; L453-V541 HydrophobicContact CD2-CG1 4.11Å; L453-V541 HydrophobicContact CD2-CG2 4.22Å; L536-V541 HydrophobicContact CB-CG2 4.37Å; L536-V541 HydrophobicContact CD2-CG2 4.49Å; S537-V541 WeakPolarHBondContact O-CG2 3.42Å; S537-V541 PolarHBondContact O-N 3.12Å; K538-V541 PolarHBondContact O-N 3.32Å; V541-S543 PolarHBondContact O-N 3.26Å; V541-K544 PolarHBondContact O-N 2.82Å; V541-L545 HydrophobicContact CG1-CD1 3.69Å; V541-L545 HydrophobicContact CG1-CG 4.42Å; V541-L545 WeakPolarHBondContact O-CB 3.4Å; V541-L545 WeakPolarHBondContact O-CG 3.38Å; V541-L545 PolarHBondContact O-N 2.88Å
542	K	82.3	Confident	68.9	Low	151 Å²	151	73.6 Å²	73.6	66%	0.657	41%	0.405	S	S	*	.	H	α-helix	trans	-57.3	-47.9	176.1	-78.3	-179.6	179.7	-174.3	0	111.4	K538 R539 K544 L545 T546	K538-K542 WeakPolarHBondContact O-CB 3.46Å; K538-K542 VanDerWaalsContact O-CG 3.32Å; K538-K542 WeakPolarHBondContact O-CG 3.46Å; K538-K542 PolarHBondContact O-N 3.43Å; R539-K542 PolarHBondContact O-N 2.8Å; K542-K544 PolarHBondContact O-N 3.23Å; K542-L545 PolarHBondContact O-N 2.94Å; K542-T546 WeakPolarHBondContact O-CG2 3.47Å; K542-T546 PolarHBondContact O-N 3.44Å; K542-T546 PolarHBondContact O-OG1 3.33Å; K542-T546 VanDerWaalsContact O-OG1 3.11Å
543	S	79.8	Confident	66	Low	64 Å²	64	81.3 Å²	81.3	45%	0.448	44%	0.441	S	S	.	.	H	α-helix	trans	-59.5	-45.3	178.5	169.1	0	0	0	0	112.9	R539 T540 V541 T546 N547	R539-S543 PolarHBondContact O-N 2.01Å; T540-S543 PolarHBondContact O-N 2.87Å; V541-S543 PolarHBondContact O-N 3.26Å; S543-T546 PolarHBondContact O-OG1 2.77Å; S543-N547 PolarHBondContact O-N 3.07Å
544	K	79.2	Confident	63.3	Low	71 Å²	71	87.6 Å²	87.6	31%	0.309	47%	0.473	S	S	.	.	H	α-helix	trans	-64	-43.7	178.1	-77.1	-172.1	176.1	-172.9	0	111.8	L453 T540 V541 K542 N547 T548	L453-K544 HydrophobicContact CD2-CB 3.74Å; L453-K544 HydrophobicContact CD2-CD 3.92Å; L453-K544 HydrophobicContact CD2-CG 4.44Å; L453-K544 PolarHBondContact O-NZ 2.94Å; T540-K544 PolarHBondContact O-N 3.11Å; V541-K544 PolarHBondContact O-N 2.82Å; K542-K544 PolarHBondContact O-N 3.23Å; K544-N547 PolarHBondContact O-N 2.57Å; K544-T548 PolarHBondContact O-N 3.49Å; K544-T548 PolarHBondContact O-OG1 3.46Å
545	L	77.3	Confident	60.4	Low	49 Å²	49	89 Å²	89	26%	0.257	49%	0.493	S	S	.	.	H	α-helix	trans	-68.5	-34.1	-178.6	-71.9	169.6	0	0	0	113.6	K449 L453 V541 K542 T548 S549	K449-L545 HydrophobicContact CD-CD2 4.15Å; K449-L545 HydrophobicContact CG-CD2 4.18Å; L453-L545 HydrophobicContact CD2-CG 4.46Å; V541-L545 HydrophobicContact CG1-CD1 3.69Å; V541-L545 HydrophobicContact CG1-CG 4.42Å; V541-L545 WeakPolarHBondContact O-CB 3.4Å; V541-L545 WeakPolarHBondContact O-CG 3.38Å; V541-L545 PolarHBondContact O-N 2.88Å; K542-L545 PolarHBondContact O-N 2.94Å; L545-T548 PolarHBondContact O-OG1 3.2Å; L545-S549 PolarHBondContact O-OG 3.29Å
546	T	73.3	Confident	57.4	Low	91 Å²	91	97.5 Å²	97.5	56%	0.558	53%	0.528	S	S	*	.	H	α-helix	trans	-70.9	-35.1	175.9	50.3	0	0	0	0	111.8	K542 S543 S549	K542-T546 WeakPolarHBondContact O-CG2 3.47Å; K542-T546 PolarHBondContact O-N 3.44Å; K542-T546 PolarHBondContact O-OG1 3.33Å; K542-T546 VanDerWaalsContact O-OG1 3.11Å; S543-T546 PolarHBondContact O-OG1 2.77Å; T546-S549 PolarHBondContact O-N 3.27Å
547	N	55.9	Low	54.4	Low	105 Å²	105	102.1 Å²	102.1	56%	0.561	56%	0.561	S	S	*	*	H	α-helix	trans	-72.5	-34.4	179.7	-75.2	-8.3	0	0	0	112.6	S543 K544 S549 S550	S543-N547 PolarHBondContact O-N 3.07Å; K544-N547 PolarHBondContact O-N 2.57Å; N547-S549 PolarHBondContact O-N 3.43Å; N547-S550 PolarHBondContact O-N 3.45Å; N547-S550 PolarHBondContact O-OG 2.88Å
548	T	45.4	Very low	51.5	Low	90 Å²	90	109.8 Å²	109.8	55%	0.552	59%	0.594	S	S	*	*	H	α-helix	trans	-66.3	-23.8	177.4	44.7	0	0	0	0	113.6	K544 L545 S550	K544-T548 PolarHBondContact O-N 3.49Å; K544-T548 PolarHBondContact O-OG1 3.46Å; L545-T548 PolarHBondContact O-OG1 3.2Å; T548-S550 PolarHBondContact O-N 3.32Å
549	S	36.6	Very low	49	Very low	101 Å²	101	115.1 Å²	115.1	71%	0.706	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-7.3	-178.8	-54.8	0	0	0	0	113.9	L545 T546 N547	L545-S549 PolarHBondContact O-OG 3.29Å; T546-S549 PolarHBondContact O-N 3.27Å; N547-S549 PolarHBondContact O-N 3.43Å
550	S	33.3	Very low	46.5	Very low	93 Å²	93	110.6 Å²	110.6	65%	0.65	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	4.1	-178.8	53.6	0	0	0	0	114.7	N547 T548	N547-S550 PolarHBondContact O-N 3.45Å; N547-S550 PolarHBondContact O-OG 2.88Å; T548-S550 PolarHBondContact O-N 3.32Å
551	S	29	Very low	43.9	Very low	105 Å²	105	115.1 Å²	115.1	73%	0.734	64%	0.638	S	S	*	*	S	Bend	trans	-100.3	10.7	-179.7	-69.7	0	0	0	0	115.5
552	V	26.4	Very low	41.3	Very low	123 Å²	123	123.5 Å²	123.5	75%	0.745	68%	0.675	S	S	*	*	S	Bend	trans	-125.4	74.1	173.6	-171.7	0	0	0	0	109.6
553	H	24.9	Very low	38.4	Very low	163 Å²	163	125.3 Å²	125.3	76%	0.755	68%	0.683	S	S	*	*	S	Bend	trans	-176.3	110.1	141.2	-102	-72.3	0	0	0	111.5
554	M	23.8	Very low	35.7	Very low	166 Å²	166	133.4 Å²	133.4	82%	0.818	70%	0.704	S	S	*	*			trans	69.2	114.3	138.5	-63.9	179.8	78.4	0	0	121.2
555	A	21.6	Very low	33.2	Very low	87 Å²	87	135.4 Å²	135.4	72%	0.719	72%	0.722	S	S	*	*			trans	-64.3	151.2	150.6	0	0	0	0	0	112.8
556	K	24.9	Very low	30.8	Very low	200 Å²	200	141.8 Å²	141.8	87%	0.87	75%	0.748	S	S	*	*			trans	75.4	132.3	171.8	-56.6	177.3	178.8	178.2	0	114
557	S	25.1	Very low	28.4	Very low	106 Å²	106	143.6 Å²	143.6	74%	0.741	76%	0.763	S	S	*	*			cis	-171	148.4	9.4	46	0	0	0	0	109
558	Q	23.7	Very low	27	Very low	187 Å²	187	143.5 Å²	143.5	87%	0.874	77%	0.771	S	S	*	*			trans	35.4	111	149.2	-68.8	-179.5	-21.6	0	0	120.5
559	E	29	Very low	26.3	Very low	185 Å²	185	146.6 Å²	146.6	86%	0.864	78%	0.783	S	S	*	*			trans	-171.1	91.6	132.2	-103.8	175.5	-168.8	0	0	107
560	T	24.6	Very low	26	Very low	122 Å²	122	147 Å²	147	75%	0.748	78%	0.781	S	S	*	*				39.9	126.7	103.8	49.6	0	0	0	0	116.8
561	L	24.8	Very low	25.6	Very low	154 Å²	154	152.5 Å²	152.5	81%	0.806	79%	0.793	S	S	*	*			trans	88.2	88.2	166.6	-65.1	135.5	0	0	0	116.8
562	F	25.5	Very low	25.5	Very low	181 Å²	181	153.9 Å²	153.9	79%	0.794	80%	0.797	S	S	*	*				-177.9	87.2	104.2	-106.9	-83.9	0	0	0	109.3
563	F	22.8	Very low	25.7	Very low	189 Å²	189	154.8 Å²	154.8	83%	0.829	80%	0.797	S	S	*	*	S	Bend	trans	-140.7	127.4	163	-118.3	-79.3	0	0	0	104.8
564	W	23.4	Very low	25.8	Very low	234 Å²	234	152 Å²	152	89%	0.886	80%	0.803	S	S	*	*			trans	86.4	78.8	176.2	-58.6	68.1	0	0	0	117.5
565	T	25.3	Very low	25.9	Very low	113 Å²	113	153 Å²	153	69%	0.693	81%	0.806	S	S	*	*			trans	-144	131.5	135.6	-5.6	0	0	0	0	110
566	F	26.9	Very low	26.1	Very low	182 Å²	182	159.2 Å²	159.2	80%	0.798	81%	0.81	S	S	*	*			trans	88.2	69.3	173.4	-69.6	-82.8	0	0	0	119
567	C	23.1	Very low	26.2	Very low	130 Å²	130	154.8 Å²	154.8	88%	0.878	81%	0.811	S	S	*	*			trans	-87	140.6	135.5	-162.4	0	0	0	0	108.7
568	S	26.2	Very low	26.2	Very low	103 Å²	103	158.1 Å²	158.1	72%	0.72	82%	0.815	S	S	*	*			trans	93	69.8	175.9	-144.4	0	0	0	0	117.4
569	L	31.8	Very low	26.4	Very low	154 Å²	154	153.7 Å²	153.7	81%	0.806	80%	0.804	S	S	*	*	S	Bend	trans	-136.5	103.1	134.1	-129.4	94.6	0	0	0	109.1
570	T	29.2	Very low	26.5	Very low	109 Å²	109	157.2 Å²	157.2	67%	0.669	81%	0.81	S	S	*	*			trans	53.8	105.4	146.9	58.7	0	0	0	0	120.3	T572	T570-T572 PolarHBondContact O-N 3.2Å
571	K	26.1	Very low	26.6	Very low	209 Å²	209	158.6 Å²	158.6	91%	0.909	81%	0.813	S	S	*	*	S	Bend		28.3	84.2	128.8	-69.9	-177.9	176	-178.6	0	115.9
572	T	26.6	Very low	26.7	Very low	134 Å²	134	159.2 Å²	159.2	82%	0.822	81%	0.812	S	S	*	*			trans	170.8	103.8	146.2	21	0	0	0	0	105.8	T570	T570-T572 PolarHBondContact O-N 3.2Å
573	L	29.7	Very low	26.9	Very low	142 Å²	142	160 Å²	160	74%	0.743	81%	0.814	S	S	*	*			trans	166.8	42.5	157.2	-87.7	171.8	0	0	0	109.3	Q575	L573-Q575 VanDerWaalsContact C-N 3.31Å
574	A	27.1	Very low	27.5	Very low	106 Å²	106	155.3 Å²	155.3	88%	0.876	81%	0.806	S	S	*	*	S	Bend	trans	-100.5	45.7	164.4	0	0	0	0	0	109.5
575	Q	26.8	Very low	28.3	Very low	186 Å²	186	147.6 Å²	147.6	87%	0.869	79%	0.787	S	S	*	*			trans	-153.3	51.4	178.5	-79.5	-171.8	-47.2	0	0	110.3	L573	L573-Q575 VanDerWaalsContact C-N 3.31Å
576	R	26.1	Very low	30	Very low	217 Å²	217	149.1 Å²	149.1	82%	0.819	79%	0.787	S	S	*	*			trans	-145.2	37.2	175.3	-133.2	174.7	-171.9	163.4	2.7	114.1
577	A	26.7	Very low	32.2	Very low	107 Å²	107	144 Å²	144	88%	0.884	77%	0.765	S	S	*	*	S	Bend	trans	-127.2	16.8	169.6	0	0	0	0	0	112.8
578	E	25.6	Very low	35.3	Very low	177 Å²	177	143.3 Å²	143.3	83%	0.827	76%	0.757	S	S	*	*	S	Bend	trans	-117.3	139.2	163.6	-73.7	168	167.7	0	0	106.7
579	S	27.5	Very low	38.3	Very low	93 Å²	93	139.8 Å²	139.8	65%	0.65	73%	0.734	S	S	*	*			trans	86.2	79.7	-166.8	78	0	0	0	0	117.1
580	R	30.2	Very low	41.2	Very low	260 Å²	260	135.6 Å²	135.6	98%	0.981	71%	0.712	S	S	*	*	S	Bend	trans	-110.7	25.9	139	-92.4	-171.6	-175.9	169	3.6	111.7
581	N	27.5	Very low	44.1	Very low	151 Å²	151	133.4 Å²	133.4	81%	0.807	70%	0.7	S	S	*	*	S	Bend	trans	-128.7	72.5	168.7	-160.6	26.3	0	0	0	107.3
582	E	26	Very low	47.1	Very low	167 Å²	167	124.4 Å²	124.4	78%	0.78	67%	0.666	S	S	*	*	S	Bend	trans	172.6	84.9	164.7	-103.4	173.7	-176.8	0	0	109
583	K	30.9	Very low	49.9	Very low	196 Å²	196	122.1 Å²	122.1	85%	0.852	65%	0.654	S	S	*	*			trans	170.8	72.4	150.2	-98.2	178.1	-179.8	-175.3	0	110
584	S	34.6	Very low	52.8	Low	92 Å²	92	118 Å²	118	64%	0.643	64%	0.636	S	S	*	*			trans	-131.9	10.8	155.4	64.1	0	0	0	0	111.4
585	S	40.3	Very low	55.7	Low	72 Å²	72	124.7 Å²	124.7	50%	0.503	64%	0.638	S	S	.	*	S	Bend	trans	-92.8	125.1	176.7	47.3	0	0	0	0	108.8
586	E	61.8	Low	58.2	Low	145 Å²	145	117.2 Å²	117.2	68%	0.678	61%	0.611	S	S	*	*	S	Bend	trans	91.1	29.4	-179.3	-52.8	180	174.8	0	0	118.5	W605	E586-W605 VanDerWaalsContact CA-CE2 3.5Å; E586-W605 HydrophobicContact CB-CD2 4.3Å; E586-W605 HydrophobicContact CB-CG 4.35Å; E586-W605 HydrophobicContact CG-CD2 3.84Å; E586-W605 HydrophobicContact CG-CE3 3.82Å; E586-W605 HydrophobicContact CG-CG 4.17Å; E586-W605 HydrophobicContact CG-CZ3 4.36Å
587	E	73.3	Confident	61.3	Low	74 Å²	74	115.6 Å²	115.6	35%	0.346	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-82.3	127.4	170.4	-62.2	-170.1	153.6	0	0	111.5	N621 A622 N623	E587-N621 WeakPolarHBondContact OE2-CB 3.34Å; E587-A622 PolarHBondContact OE2-N 2.87Å; E587-N623 HydrophobicContact CB-CB 4.36Å; E587-N623 WeakPolarHBondContact O-CB 3.05Å; E587-N623 PolarHBondContact O-ND2 3.03Å
588	V	87	Confident	64.1	Low	116 Å²	116	115.7 Å²	115.7	70%	0.703	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-75.2	156.4	178	-134.3	0	0	0	0	111.3	D590 N621	V588-D590 PolarHBondContact O-N 3.3Å; V588-D590 VanDerWaalsContact O-N 3.15Å; V588-N621 PolarHBondContact O-ND2 2.84Å; V588-N621 PolarHBondContact O-OD1 2.03Å
589	A	90.5	Very high	67.3	Low	29 Å²	29	111.1 Å²	111.1	24%	0.24	58%	0.577	C	S	.	*	P	Polyproline II helix	trans	-54.6	120.8	177.3	0	0	0	0	0	112.8	Y602 F613	A589-Y602 HydrophobicContact CB-CD1 3.61Å; A589-Y602 HydrophobicContact CB-CD2 3.64Å; A589-Y602 HydrophobicContact CB-CE1 3.87Å; A589-Y602 HydrophobicContact CB-CE2 3.91Å; A589-Y602 HydrophobicContact CB-CG 3.48Å; A589-Y602 VanDerWaalsContact CB-CG 3.48Å; A589-F613 HydrophobicContact CB-CB 4.15Å; A589-F613 HydrophobicContact CB-CD1 4.37Å; A589-F613 HydrophobicContact CB-CD2 3.76Å; A589-F613 HydrophobicContact CB-CE2 4.17Å; A589-F613 HydrophobicContact CB-CG 3.86Å
590	D	92	Very high	70.5	Confident	66 Å²	66	108.9 Å²	108.9	35%	0.353	55%	0.554	S	S	.	*			trans	-111.6	108.7	177.2	-176.5	7.1	0	0	0	111.5	V588 G592 G620 N621	V588-D590 PolarHBondContact O-N 3.3Å; V588-D590 VanDerWaalsContact O-N 3.15Å; D590-G592 PolarHBondContact O-N 3.11Å; D590-G592 PolarHBondContact OD1-N 2.83Å; D590-G620 WeakPolarHBondContact OD2-CA 3.29Å; D590-N621 HydrophobicContact CB-CB 4.34Å
591	P	89.9	Confident	73.6	Confident	63 Å²	63	99.2 Å²	99.2	41%	0.409	52%	0.518	S	S	.	.			trans	-61.9	-19.8	175.3	-23.6	34.6	0	0	0	114.5	Y615 G616	P591-Y615 WeakPolarHBondContact O-CD2 3.42Å; P591-G616 VanDerWaalsContact O-CA 3.25Å; P591-G616 WeakPolarHBondContact O-CA 3.12Å; P591-G616 PolarHBondContact O-N 3.46Å
592	G	88.1	Confident	76.7	Confident	20 Å²	20	94.1 Å²	94.1	21%	0.206	49%	0.488	C	S	.	.			trans	69	178.3	-171.3	0	0	0	0	0	113.7	D590 C594 C618	D590-G592 PolarHBondContact O-N 3.11Å; D590-G592 PolarHBondContact OD1-N 2.83Å; G592-C594 PolarHBondContact O-N 3.05Å; G592-C618 WeakPolarHBondContact CA-O 3.22Å
593	P	87.2	Confident	79.9	Confident	86 Å²	86	86.5 Å²	86.5	56%	0.558	45%	0.452	S	S	*	.	S	Bend	trans	-82.2	-12	-172	33.1	-35.6	0	0	0	114	E619	P593-E619 VanDerWaalsContact CD-OE2 3.31Å; P593-E619 WeakPolarHBondContact CD-OE2 3.39Å; P593-E619 HydrophobicContact CG-CB 4.39Å; P593-E619 HydrophobicContact CG-CG 4.06Å; P593-E619 VanDerWaalsContact CG-OE2 3.31Å; P593-E619 WeakPolarHBondContact CG-OE2 3.3Å
594	C	89.2	Confident	82.7	Confident	54 Å²	54	78.8 Å²	78.8	37%	0.365	42%	0.42	S	S	.	.			trans	-74.7	156.9	-180	-76.7	0	0	0	0	112.7	G592 G616 C618	G592-C594 PolarHBondContact O-N 3.05Å; C594-G616 CarbonylContact C-O 3.59Å; C594-G616 WeakPolarHBondContact CB-O 3.33Å; C594-G616 VanDerWaalsContact O-CA 3.24Å; C594-G616 WeakPolarHBondContact O-CA 3.41Å; C594-C618 HydrophobicContact CB-CB 3.88Å; C594-C618 WeakPolarHBondContact CB-SG 3.49Å; C594-C618 WeakPolarHBondContact SG-CB 3.41Å; C594-C618 CovalentContact SG-SG 2.01Å; C594-C618 PolarHBondContact SG-SG 3.27Å
595	R	88.4	Confident	85	Confident	247 Å²	247	77.3 Å²	77.3	93%	0.932	40%	0.4	S	S	*	.			trans	-106.2	14.8	-173.8	-61	-176.7	-177.6	176	0.9	114.2
596	G	79.8	Confident	87.1	Confident	29 Å²	29	81.5 Å²	81.5	30%	0.299	42%	0.417	S	S	.	.			trans	-65.8	166.7	170	0	0	0	0	0	111.5	G616	G596-G616 WeakPolarHBondContact CA-O 3.33Å; G596-G616 PolarHBondContact N-O 3.02Å; G596-G616 WeakPolarHBondContact O-CA 3.19Å
597	K	90.1	Very high	88.3	Confident	183 Å²	183	77 Å²	77	80%	0.796	40%	0.402	S	S	*	.			trans	-129.2	84.5	175.4	-68.6	-171.9	178.3	-175.5	0	108.8	T614	K597-T614 HydrophobicContact CB-CG2 4.02Å; K597-T614 HydrophobicContact CG-CG2 4.09Å
598	F	86.3	Confident	88.9	Confident	109 Å²	109	78 Å²	78	48%	0.478	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.7	178.8	-57.4	-79.7	0	0	0	108.9	R600 Y615	F598-R600 PolarHBondContact O-N 3.07Å; F598-Y615 WeakPolarHBondContact CD2-O 2.64Å; F598-Y615 PolarHBondContact N-O 3.4Å; F598-Y615 PolarHBondContact O-N 2.9Å
599	P	92.9	Very high	89	Confident	81 Å²	81	78.3 Å²	78.3	53%	0.526	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.5	171.9	27.8	-31.8	0	0	0	108.9	Q612	P599-Q612 HydrophobicContact CB-CG 4.35Å
600	R	94.3	Very high	89.1	Confident	47 Å²	47	77.6 Å²	77.6	18%	0.177	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	167.2	176.8	-71.7	-66.2	-169.9	113.5	-21.7	109	F598 Q612 F613 Y615 N624 Y625 D626	F598-R600 PolarHBondContact O-N 3.07Å; R600-Q612 CarbonylContact O-C 3.44Å; R600-Q612 VanDerWaalsContact O-CA 3.22Å; R600-Q612 WeakPolarHBondContact O-CA 2.96Å; R600-Q612 VanDerWaalsContact O-CG 3.3Å; R600-Q612 WeakPolarHBondContact O-CG 3.5Å; R600-F613 HydrophobicContact CB-CD1 3.82Å; R600-F613 HydrophobicContact CB-CE1 3.35Å; R600-F613 HydrophobicContact CB-CZ 3.91Å; R600-F613 HydrophobicContact CG-CE1 4.5Å; R600-F613 PolarHBondContact N-O 2.74Å; R600-F613 WeakPolarHBondContact O-CD1 2.99Å; R600-F613 PolarHBondContact O-N 2.7Å; R600-F613 VanDerWaalsContact O-O 3.11Å; R600-Y615 VanDerWaalsContact CG-CB 3.47Å; R600-Y615 HydrophobicContact CG-CD1 4.16Å; R600-Y615 HydrophobicContact CG-CG 4.13Å; R600-N624 VanDerWaalsContact CB-OD1 3.31Å; R600-N624 WeakPolarHBondContact CB-OD1 3.45Å; R600-N624 VanDerWaalsContact CD-OD1 3.25Å; R600-N624 WeakPolarHBondContact CD-OD1 3.32Å; R600-N624 WeakPolarHBondContact CG-OD1 3Å; R600-N624 PolarHBondContact NH1-OD1 2.82Å; R600-Y625 CarbonylContact C-O 3.22Å; R600-Y625 WeakPolarHBondContact CA-O 3.39Å; R600-Y625 WeakPolarHBondContact CD-O 3.31Å; R600-D626 WeakPolarHBondContact CD-OD1 3.2Å; R600-D626 IonicContact CZ-OD1 3.57Å; R600-D626 IonicContact CZ-OD2 2.81Å; R600-D626 IonicContact NE-OD1 2.99Å; R600-D626 PolarHBondContact NE-OD1 2.81Å; R600-D626 IonicContact NH1-OD1 2.78Å; R600-D626 IonicContact NH2-OD1 3.49Å; R600-D626 PolarHBondContact NH2-OD1 3.42Å; R600-D626 IonicContact NH2-OD2 2.72Å; R600-D626 PolarHBondContact NH2-OD2 2.86Å
601	Y	95	Very high	89.2	Confident	56 Å²	56	76.7 Å²	76.7	22%	0.22	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.6	176.8	-62.5	-93.5	0	0	0	109.7	T611 Q612 N624 Y625 S627 I628	Y601-T611 CarbonylContact C-O 3.52Å; Y601-T611 VanDerWaalsContact CA-O 3.29Å; Y601-T611 WeakPolarHBondContact CA-O 3.5Å; Y601-Q612 HydrophobicContact CD1-CB 4.08Å; Y601-Q612 HydrophobicContact CE1-CB 3.88Å; Y601-Q612 HydrophobicContact CE1-CG 4.22Å; Y601-N624 CarbonylContact O-C 3.35Å; Y601-N624 WeakPolarHBondContact O-CA 3.1Å; Y601-Y625 PolarHBondContact N-O 3.43Å; Y601-Y625 WeakPolarHBondContact O-CD2 3.24Å; Y601-Y625 PolarHBondContact O-N 3.2Å; Y601-S627 VanDerWaalsContact CD2-CA 3.49Å; Y601-I628 HydrophobicContact CD1-CB 3.72Å; Y601-I628 HydrophobicContact CD1-CD1 4.4Å; Y601-I628 HydrophobicContact CD1-CG1 4.07Å; Y601-I628 VanDerWaalsContact CD2-N 3.29Å; Y601-I628 HydrophobicContact CE1-CB 3.69Å; Y601-I628 HydrophobicContact CE1-CD1 4.27Å; Y601-I628 HydrophobicContact CE1-CG1 4.25Å; Y601-I628 HydrophobicContact CG-CB 4.17Å
602	Y	93.8	Very high	89.5	Confident	45 Å²	45	79.2 Å²	79.2	18%	0.176	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154	172.3	79.3	-76.6	0	0	0	108.4	A589 D604 C610 T611 F613 N623	A589-Y602 HydrophobicContact CB-CD1 3.61Å; A589-Y602 HydrophobicContact CB-CD2 3.64Å; A589-Y602 HydrophobicContact CB-CE1 3.87Å; A589-Y602 HydrophobicContact CB-CE2 3.91Å; A589-Y602 HydrophobicContact CB-CG 3.48Å; A589-Y602 VanDerWaalsContact CB-CG 3.48Å; Y602-D604 HydrophobicContact CE2-CB 3.8Å; Y602-D604 PolarHBondContact O-N 3.13Å; Y602-C610 CarbonylContact O-C 3.56Å; Y602-C610 WeakPolarHBondContact O-CA 3.42Å; Y602-T611 VanDerWaalsContact CD1-O 3.26Å; Y602-T611 WeakPolarHBondContact CD1-O 3.29Å; Y602-T611 WeakPolarHBondContact CE1-OG1 3.43Å; Y602-T611 PolarHBondContact N-O 3.08Å; Y602-T611 PolarHBondContact O-N 2.86Å; Y602-F613 HydrophobicContact CD1-CB 3.78Å; Y602-F613 AromaticContact CD1-CD1 3.74Å; Y602-F613 HydrophobicContact CD1-CD1 3.74Å; Y602-F613 AromaticContact CD1-CG 3.98Å; Y602-F613 HydrophobicContact CD1-CG 3.98Å; Y602-F613 HydrophobicContact CE1-CB 4Å; Y602-F613 HydrophobicContact CG-CD1 4.24Å; Y602-N623 WeakPolarHBondContact CB-O 3.48Å
603	Y	92.4	Very high	89.8	Confident	6 Å²	6	79.2 Å²	79.2	2%	0.024	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	113.2	173.8	-174.5	-99.3	0	0	0	110.1	W605 K608 N623 C635 P636	Y603-W605 AromaticContact CD1-CD2 3.82Å; Y603-W605 HydrophobicContact CD1-CD2 3.82Å; Y603-W605 AromaticContact CD1-CE2 3.74Å; Y603-W605 HydrophobicContact CD1-CE3 4.27Å; Y603-W605 HydrophobicContact CD1-CG 4.1Å; Y603-W605 HydrophobicContact CD1-CZ2 4.13Å; Y603-W605 AromaticContact CD1-NE1 3.97Å; Y603-W605 AromaticContact CE1-CD2 3.88Å; Y603-W605 HydrophobicContact CE1-CD2 3.88Å; Y603-W605 AromaticContact CE1-CE3 3.89Å; Y603-W605 HydrophobicContact CE1-CE3 3.89Å; Y603-W605 HydrophobicContact CE1-CG 4.33Å; Y603-W605 HydrophobicContact CE1-CH2 4.48Å; Y603-W605 HydrophobicContact CE1-CZ2 4.49Å; Y603-W605 HydrophobicContact CE1-CZ3 4.19Å; Y603-W605 PolarHBondContact O-N 3.47Å; Y603-K608 HydrophobicContact CE1-CD 4.39Å; Y603-K608 WeakPolarHBondContact OH-CA 3.3Å; Y603-K608 VanDerWaalsContact OH-CD 3.31Å; Y603-K608 WeakPolarHBondContact OH-CD 3.37Å; Y603-N623 PolarHBondContact N-OD1 3.34Å; Y603-N623 PolarHBondContact O-ND2 3.43Å; Y603-C635 WeakPolarHBondContact CB-SG 3.31Å; Y603-C635 HydrophobicContact CD1-CB 4.23Å; Y603-C635 HydrophobicContact CD2-CB 3.24Å; Y603-C635 HydrophobicContact CE2-CB 3.78Å; Y603-C635 HydrophobicContact CG-CB 3.48Å; Y603-C635 VanDerWaalsContact CG-CB 3.48Å; Y603-P636 HydrophobicContact CE1-CG 4.48Å; Y603-P636 WeakPolarHBondContact CE2-O 3.22Å; Y603-P636 PolarHBondContact OH-O 3.4Å
604	D	89.8	Confident	90.1	Very high	35 Å²	35	78.8 Å²	78.8	19%	0.187	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	110.5	174.5	177	7.5	0	0	0	109.3	Y602 D606 S607 K608 Q609	Y602-D604 HydrophobicContact CE2-CB 3.8Å; Y602-D604 PolarHBondContact O-N 3.13Å; D604-D606 PolarHBondContact O-N 3.27Å; D604-D606 PolarHBondContact OD1-N 3.29Å; D604-S607 VanDerWaalsContact CB-OG 3.26Å; D604-S607 WeakPolarHBondContact CB-OG 3.28Å; D604-S607 PolarHBondContact O-N 3.04Å; D604-S607 WeakPolarHBondContact OD2-CB 3.39Å; D604-S607 PolarHBondContact OD2-OG 3.39Å; D604-K608 VanDerWaalsContact O-CA 3.3Å; D604-K608 WeakPolarHBondContact O-CA 3.46Å; D604-K608 PolarHBondContact O-N 3.48Å; D604-Q609 WeakPolarHBondContact CB-O 3.43Å; D604-Q609 PolarHBondContact N-O 3.4Å; D604-Q609 PolarHBondContact O-N 3.49Å
605	W	83.4	Confident	90.3	Very high	60 Å²	60	77.7 Å²	77.7	23%	0.227	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.1	-177	-70	88.9	0	0	0	113.4	E586 Y603 K608	E586-W605 VanDerWaalsContact CA-CE2 3.5Å; E586-W605 HydrophobicContact CB-CD2 4.3Å; E586-W605 HydrophobicContact CB-CG 4.35Å; E586-W605 HydrophobicContact CG-CD2 3.84Å; E586-W605 HydrophobicContact CG-CE3 3.82Å; E586-W605 HydrophobicContact CG-CG 4.17Å; E586-W605 HydrophobicContact CG-CZ3 4.36Å; Y603-W605 AromaticContact CD1-CD2 3.82Å; Y603-W605 HydrophobicContact CD1-CD2 3.82Å; Y603-W605 AromaticContact CD1-CE2 3.74Å; Y603-W605 HydrophobicContact CD1-CE3 4.27Å; Y603-W605 HydrophobicContact CD1-CG 4.1Å; Y603-W605 HydrophobicContact CD1-CZ2 4.13Å; Y603-W605 AromaticContact CD1-NE1 3.97Å; Y603-W605 AromaticContact CE1-CD2 3.88Å; Y603-W605 HydrophobicContact CE1-CD2 3.88Å; Y603-W605 AromaticContact CE1-CE3 3.89Å; Y603-W605 HydrophobicContact CE1-CE3 3.89Å; Y603-W605 HydrophobicContact CE1-CG 4.33Å; Y603-W605 HydrophobicContact CE1-CH2 4.48Å; Y603-W605 HydrophobicContact CE1-CZ2 4.49Å; Y603-W605 HydrophobicContact CE1-CZ3 4.19Å; Y603-W605 PolarHBondContact O-N 3.47Å; W605-K608 WeakPolarHBondContact O-CD 3.25Å; W605-K608 VanDerWaalsContact O-CE 3.28Å; W605-K608 WeakPolarHBondContact O-CE 3.28Å; W605-K608 PolarHBondContact O-NZ 3.39Å
606	D	83.6	Confident	90.2	Very high	160 Å²	160	66.1 Å²	66.1	86%	0.856	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-44.4	178	-71.1	-36.7	0	0	0	110.7	D604	D604-D606 PolarHBondContact O-N 3.27Å; D604-D606 PolarHBondContact OD1-N 3.29Å
607	S	86.4	Confident	90.4	Very high	51 Å²	51	66.1 Å²	66.1	36%	0.357	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-9.8	-179.8	64.1	0	0	0	0	114.5	D604 Q609	D604-S607 VanDerWaalsContact CB-OG 3.26Å; D604-S607 WeakPolarHBondContact CB-OG 3.28Å; D604-S607 PolarHBondContact O-N 3.04Å; D604-S607 WeakPolarHBondContact OD2-CB 3.39Å; D604-S607 PolarHBondContact OD2-OG 3.39Å; S607-Q609 PolarHBondContact O-N 3.41Å
608	K	85.9	Confident	90.1	Very high	95 Å²	95	58.6 Å²	58.6	41%	0.413	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	33.7	-173.8	-55.7	-61.2	-178	-156.9	0	112.9	Y603 D604 W605	Y603-K608 HydrophobicContact CE1-CD 4.39Å; Y603-K608 WeakPolarHBondContact OH-CA 3.3Å; Y603-K608 VanDerWaalsContact OH-CD 3.31Å; Y603-K608 WeakPolarHBondContact OH-CD 3.37Å; D604-K608 VanDerWaalsContact O-CA 3.3Å; D604-K608 WeakPolarHBondContact O-CA 3.46Å; D604-K608 PolarHBondContact O-N 3.48Å; W605-K608 WeakPolarHBondContact O-CD 3.25Å; W605-K608 VanDerWaalsContact O-CE 3.28Å; W605-K608 WeakPolarHBondContact O-CE 3.28Å; W605-K608 PolarHBondContact O-NZ 3.39Å
609	Q	89.1	Confident	90	Very high	122 Å²	122	60.3 Å²	60.3	57%	0.57	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	147.2	-176.9	-70.8	-177.4	8.1	0	0	111.9	D604 S607 T611	D604-Q609 WeakPolarHBondContact CB-O 3.43Å; D604-Q609 PolarHBondContact N-O 3.4Å; D604-Q609 PolarHBondContact O-N 3.49Å; S607-Q609 PolarHBondContact O-N 3.41Å; Q609-T611 PolarHBondContact O-N 3.25Å
610	C	93.7	Very high	89.6	Confident	15 Å²	15	57.9 Å²	57.9	10%	0.101	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119	169.7	-74.3	0	0	0	0	110.5	Y602 I628 C631 E632	Y602-C610 CarbonylContact O-C 3.56Å; Y602-C610 WeakPolarHBondContact O-CA 3.42Å; C610-I628 HydrophobicContact CB-CG1 4.03Å; C610-C631 HydrophobicContact CB-CB 3.69Å; C610-C631 WeakPolarHBondContact CB-SG 3.16Å; C610-C631 WeakPolarHBondContact SG-CB 3.31Å; C610-C631 CovalentContact SG-SG 2.03Å; C610-C631 PolarHBondContact SG-SG 2.85Å; C610-E632 HydrophobicContact CB-CG 4.06Å; C610-E632 PolarHBondContact SG-N 2.83Å; C610-E632 VanDerWaalsContact SG-N 3.4Å
611	T	93.8	Very high	89.3	Confident	46 Å²	46	57.6 Å²	57.6	28%	0.282	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.8	-178.9	40.5	0	0	0	0	111.5	Y601 Y602 Q609	Y601-T611 CarbonylContact C-O 3.52Å; Y601-T611 VanDerWaalsContact CA-O 3.29Å; Y601-T611 WeakPolarHBondContact CA-O 3.5Å; Y602-T611 VanDerWaalsContact CD1-O 3.26Å; Y602-T611 WeakPolarHBondContact CD1-O 3.29Å; Y602-T611 WeakPolarHBondContact CE1-OG1 3.43Å; Y602-T611 PolarHBondContact N-O 3.08Å; Y602-T611 PolarHBondContact O-N 2.86Å; Q609-T611 PolarHBondContact O-N 3.25Å
612	Q	95.3	Very high	89	Confident	117 Å²	117	58.3 Å²	58.3	55%	0.547	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	135.8	-179.7	-167.7	-170.6	-52.1	0	0	110.9	P599 R600 Y601	P599-Q612 HydrophobicContact CB-CG 4.35Å; R600-Q612 CarbonylContact O-C 3.44Å; R600-Q612 VanDerWaalsContact O-CA 3.22Å; R600-Q612 WeakPolarHBondContact O-CA 2.96Å; R600-Q612 VanDerWaalsContact O-CG 3.3Å; R600-Q612 WeakPolarHBondContact O-CG 3.5Å; Y601-Q612 HydrophobicContact CD1-CB 4.08Å; Y601-Q612 HydrophobicContact CE1-CB 3.88Å; Y601-Q612 HydrophobicContact CE1-CG 4.22Å
613	F	94.6	Very high	88.8	Confident	19 Å²	19	56.5 Å²	56.5	8%	0.083	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	168	168.7	81.1	-68.1	0	0	0	111.8	A589 R600 Y602 Y615 N624	A589-F613 HydrophobicContact CB-CB 4.15Å; A589-F613 HydrophobicContact CB-CD1 4.37Å; A589-F613 HydrophobicContact CB-CD2 3.76Å; A589-F613 HydrophobicContact CB-CE2 4.17Å; A589-F613 HydrophobicContact CB-CG 3.86Å; R600-F613 HydrophobicContact CB-CD1 3.82Å; R600-F613 HydrophobicContact CB-CE1 3.35Å; R600-F613 HydrophobicContact CB-CZ 3.91Å; R600-F613 HydrophobicContact CG-CE1 4.5Å; R600-F613 PolarHBondContact N-O 2.74Å; R600-F613 WeakPolarHBondContact O-CD1 2.99Å; R600-F613 PolarHBondContact O-N 2.7Å; R600-F613 VanDerWaalsContact O-O 3.11Å; Y602-F613 HydrophobicContact CD1-CB 3.78Å; Y602-F613 AromaticContact CD1-CD1 3.74Å; Y602-F613 HydrophobicContact CD1-CD1 3.74Å; Y602-F613 AromaticContact CD1-CG 3.98Å; Y602-F613 HydrophobicContact CD1-CG 3.98Å; Y602-F613 HydrophobicContact CE1-CB 4Å; Y602-F613 HydrophobicContact CG-CD1 4.24Å; F613-Y615 HydrophobicContact CE2-CD2 4.47Å; F613-N624 HydrophobicContact CE1-CB 4.2Å; F613-N624 HydrophobicContact CZ-CB 3.83Å
614	T	94.5	Very high	88.8	Confident	77 Å²	77	57.3 Å²	57.3	47%	0.472	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	109.9	176.1	-58.3	0	0	0	0	109.7	K597	K597-T614 HydrophobicContact CB-CG2 4.02Å; K597-T614 HydrophobicContact CG-CG2 4.09Å
615	Y	93.4	Very high	89	Confident	31 Å²	31	57.2 Å²	57.2	12%	0.122	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.2	174.4	178.4	-125.1	0	0	0	110.9	P591 F598 R600 F613 G617 C618 E619 N624	P591-Y615 WeakPolarHBondContact O-CD2 3.42Å; F598-Y615 WeakPolarHBondContact CD2-O 2.64Å; F598-Y615 PolarHBondContact N-O 3.4Å; F598-Y615 PolarHBondContact O-N 2.9Å; R600-Y615 VanDerWaalsContact CG-CB 3.47Å; R600-Y615 HydrophobicContact CG-CD1 4.16Å; R600-Y615 HydrophobicContact CG-CG 4.13Å; F613-Y615 HydrophobicContact CE2-CD2 4.47Å; Y615-G617 VanDerWaalsContact CE1-CA 3.44Å; Y615-G617 PolarHBondContact O-N 2.7Å; Y615-C618 VanDerWaalsContact OH-CA 3.22Å; Y615-C618 WeakPolarHBondContact OH-CA 3.5Å; Y615-C618 PolarHBondContact OH-N 2.68Å; Y615-C618 PolarHBondContact OH-O 2.86Å; Y615-E619 VanDerWaalsContact CE2-O 3.23Å; Y615-E619 WeakPolarHBondContact CE2-O 3.47Å; Y615-E619 VanDerWaalsContact CZ-O 3.3Å; Y615-E619 PolarHBondContact OH-N 2.79Å; Y615-E619 PolarHBondContact OH-O 2.85Å; Y615-N624 WeakPolarHBondContact CD2-ND2 3.4Å; Y615-N624 WeakPolarHBondContact CE2-ND2 3.29Å
616	G	86.1	Confident	89.2	Confident	5 Å²	5	56.8 Å²	56.8	5%	0.052	32%	0.318	C	S	.	.			trans	-71.8	-15.1	-177.8	0	0	0	0	0	114.1	P591 C594 G596	P591-G616 VanDerWaalsContact O-CA 3.25Å; P591-G616 WeakPolarHBondContact O-CA 3.12Å; P591-G616 PolarHBondContact O-N 3.46Å; C594-G616 CarbonylContact C-O 3.59Å; C594-G616 WeakPolarHBondContact CB-O 3.33Å; C594-G616 VanDerWaalsContact O-CA 3.24Å; C594-G616 WeakPolarHBondContact O-CA 3.41Å; G596-G616 WeakPolarHBondContact CA-O 3.33Å; G596-G616 PolarHBondContact N-O 3.02Å; G596-G616 WeakPolarHBondContact O-CA 3.19Å
617	G	84.3	Confident	89.5	Confident	29 Å²	29	51.5 Å²	51.5	30%	0.299	29%	0.293	S	S	.	.	S	Bend	trans	96	4.5	176.9	0	0	0	0	0	115.4	Y615	Y615-G617 VanDerWaalsContact CE1-CA 3.44Å; Y615-G617 PolarHBondContact O-N 2.7Å
618	C	82.8	Confident	89.7	Confident	24 Å²	24	52.5 Å²	52.5	16%	0.162	29%	0.294	C	S	.	.	S	Bend	trans	-154.9	157.5	167.7	73.7	0	0	0	0	111.6	G592 C594 Y615	G592-C618 WeakPolarHBondContact CA-O 3.22Å; C594-C618 HydrophobicContact CB-CB 3.88Å; C594-C618 WeakPolarHBondContact CB-SG 3.49Å; C594-C618 WeakPolarHBondContact SG-CB 3.41Å; C594-C618 CovalentContact SG-SG 2.01Å; C594-C618 PolarHBondContact SG-SG 3.27Å; Y615-C618 VanDerWaalsContact OH-CA 3.22Å; Y615-C618 WeakPolarHBondContact OH-CA 3.5Å; Y615-C618 PolarHBondContact OH-N 2.68Å; Y615-C618 PolarHBondContact OH-O 2.86Å
619	E	84.3	Confident	89.7	Confident	146 Å²	146	50.9 Å²	50.9	68%	0.682	30%	0.298	S	S	*	.			trans	53.5	-137.8	-174	-49.8	-171.2	163.2	0	0	112.1	P593 Y615	P593-E619 VanDerWaalsContact CD-OE2 3.31Å; P593-E619 WeakPolarHBondContact CD-OE2 3.39Å; P593-E619 HydrophobicContact CG-CB 4.39Å; P593-E619 HydrophobicContact CG-CG 4.06Å; P593-E619 VanDerWaalsContact CG-OE2 3.31Å; P593-E619 WeakPolarHBondContact CG-OE2 3.3Å; Y615-E619 VanDerWaalsContact CE2-O 3.23Å; Y615-E619 WeakPolarHBondContact CE2-O 3.47Å; Y615-E619 VanDerWaalsContact CZ-O 3.3Å; Y615-E619 PolarHBondContact OH-N 2.79Å; Y615-E619 PolarHBondContact OH-O 2.85Å
620	G	84.2	Confident	89.7	Confident	29 Å²	29	48.7 Å²	48.7	30%	0.299	29%	0.287	S	S	.	.			trans	83.5	177.4	-169.6	0	0	0	0	0	112.5	D590	D590-G620 WeakPolarHBondContact OD2-CA 3.29Å
621	N	88.7	Confident	89.5	Confident	42 Å²	42	48 Å²	48	23%	0.225	28%	0.283	C	S	.	.			trans	-107.5	-178.9	-178.9	65.8	20	0	0	0	111.8	E587 V588 D590 N623	E587-N621 WeakPolarHBondContact OE2-CB 3.34Å; V588-N621 PolarHBondContact O-ND2 2.84Å; V588-N621 PolarHBondContact O-OD1 2.03Å; D590-N621 HydrophobicContact CB-CB 4.34Å; N621-N623 PolarHBondContact O-N 3.42Å; N621-N623 PolarHBondContact OD1-N 3.28Å
622	A	88.8	Confident	89.3	Confident	70 Å²	70	51.3 Å²	51.3	58%	0.579	30%	0.295	S	S	*	.	S	Bend	trans	-72.9	-15.5	-171.6	0	0	0	0	0	113.3	E587 N624	E587-A622 PolarHBondContact OE2-N 2.87Å; A622-N624 PolarHBondContact O-N 3.45Å
623	N	90.2	Very high	88.7	Confident	7 Å²	7	50 Å²	50	4%	0.037	30%	0.304	C	S	.	.			trans	-80.4	61.6	177.1	-162.9	9.6	0	0	0	111.3	E587 Y602 Y603 N621 Y625	E587-N623 HydrophobicContact CB-CB 4.36Å; E587-N623 WeakPolarHBondContact O-CB 3.05Å; E587-N623 PolarHBondContact O-ND2 3.03Å; Y602-N623 WeakPolarHBondContact CB-O 3.48Å; Y603-N623 PolarHBondContact N-OD1 3.34Å; Y603-N623 PolarHBondContact O-ND2 3.43Å; N621-N623 PolarHBondContact O-N 3.42Å; N621-N623 PolarHBondContact OD1-N 3.28Å; N623-Y625 WeakPolarHBondContact OD1-CE2 3.42Å
624	N	92	Very high	88.2	Confident	24 Å²	24	53.2 Å²	53.2	13%	0.128	33%	0.326	C	S	.	.			trans	-151.9	101.2	-173.5	-179.3	-13	0	0	0	110.7	R600 Y601 F613 Y615 A622	R600-N624 VanDerWaalsContact CB-OD1 3.31Å; R600-N624 WeakPolarHBondContact CB-OD1 3.45Å; R600-N624 VanDerWaalsContact CD-OD1 3.25Å; R600-N624 WeakPolarHBondContact CD-OD1 3.32Å; R600-N624 WeakPolarHBondContact CG-OD1 3Å; R600-N624 PolarHBondContact NH1-OD1 2.82Å; Y601-N624 CarbonylContact O-C 3.35Å; Y601-N624 WeakPolarHBondContact O-CA 3.1Å; F613-N624 HydrophobicContact CE1-CB 4.2Å; F613-N624 HydrophobicContact CZ-CB 3.83Å; Y615-N624 WeakPolarHBondContact CD2-ND2 3.4Å; Y615-N624 WeakPolarHBondContact CE2-ND2 3.29Å; A622-N624 PolarHBondContact O-N 3.45Å
625	Y	93.1	Very high	87.7	Confident	32 Å²	32	50.1 Å²	50.1	13%	0.125	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-110.5	146.3	-175.6	-53	-76.8	0	0	0	111	R600 Y601 N623 E630 C631 T634 C635	R600-Y625 CarbonylContact C-O 3.22Å; R600-Y625 WeakPolarHBondContact CA-O 3.39Å; R600-Y625 WeakPolarHBondContact CD-O 3.31Å; Y601-Y625 PolarHBondContact N-O 3.43Å; Y601-Y625 WeakPolarHBondContact O-CD2 3.24Å; Y601-Y625 PolarHBondContact O-N 3.2Å; N623-Y625 WeakPolarHBondContact OD1-CE2 3.42Å; Y625-E630 HydrophobicContact CD1-CG 4.04Å; Y625-C631 HydrophobicContact CD1-CB 4.49Å; Y625-C631 HydrophobicContact CD2-CB 3.38Å; Y625-C631 WeakPolarHBondContact CD2-SG 2.91Å; Y625-C631 HydrophobicContact CE2-CB 4.12Å; Y625-C631 HydrophobicContact CG-CB 3.6Å; Y625-T634 HydrophobicContact CE1-CG2 3.76Å; Y625-C635 WeakPolarHBondContact CE2-SG 3.25Å; Y625-C635 PolarHBondContact OH-SG 2.75Å
626	D	87.8	Confident	86.8	Confident	52 Å²	52	51 Å²	51	28%	0.278	32%	0.316	S	S	.	.	S	Bend	trans	-75.5	-27.3	-178.8	-89.1	-43.9	0	0	0	112.1	R600 E630	R600-D626 WeakPolarHBondContact CD-OD1 3.2Å; R600-D626 IonicContact CZ-OD1 3.57Å; R600-D626 IonicContact CZ-OD2 2.81Å; R600-D626 IonicContact NE-OD1 2.99Å; R600-D626 PolarHBondContact NE-OD1 2.81Å; R600-D626 IonicContact NH1-OD1 2.78Å; R600-D626 IonicContact NH2-OD1 3.49Å; R600-D626 PolarHBondContact NH2-OD1 3.42Å; R600-D626 IonicContact NH2-OD2 2.72Å; R600-D626 PolarHBondContact NH2-OD2 2.86Å; D626-E630 PolarHBondContact N-OE2 3.24Å
627	S	90.1	Very high	85.6	Confident	49 Å²	49	52.9 Å²	52.9	34%	0.343	34%	0.335	S	S	.	.	S	Bend	trans	-136.7	157.6	179.3	71.1	0	0	0	0	112.1	Y601 A629 E630 C631	Y601-S627 VanDerWaalsContact CD2-CA 3.49Å; S627-A629 VanDerWaalsContact C-N 3.25Å; S627-A629 PolarHBondContact O-N 3.44Å; S627-E630 PolarHBondContact O-N 2.88Å; S627-E630 WeakPolarHBondContact OG-CB 2.99Å; S627-E630 PolarHBondContact OG-N 3Å; S627-E630 VanDerWaalsContact OG-N 3.1Å; S627-C631 PolarHBondContact O-N 2.84Å; S627-C631 VanDerWaalsContact O-N 3.12Å
628	I	91.2	Very high	83.9	Confident	72 Å²	72	60.1 Å²	60.1	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-61.5	-37.2	173.7	-163.7	165.7	0	0	0	111.3	Y601 C610 E630 C631 E632	Y601-I628 HydrophobicContact CD1-CB 3.72Å; Y601-I628 HydrophobicContact CD1-CD1 4.4Å; Y601-I628 HydrophobicContact CD1-CG1 4.07Å; Y601-I628 VanDerWaalsContact CD2-N 3.29Å; Y601-I628 HydrophobicContact CE1-CB 3.69Å; Y601-I628 HydrophobicContact CE1-CD1 4.27Å; Y601-I628 HydrophobicContact CE1-CG1 4.25Å; Y601-I628 HydrophobicContact CG-CB 4.17Å; C610-I628 HydrophobicContact CB-CG1 4.03Å; I628-E630 PolarHBondContact O-N 2.73Å; I628-C631 WeakPolarHBondContact O-CB 3.47Å; I628-C631 PolarHBondContact O-N 2.86Å; I628-E632 HydrophobicContact CG1-CG 4.3Å; I628-E632 WeakPolarHBondContact O-CB 3.22Å; I628-E632 VanDerWaalsContact O-CG 3.29Å; I628-E632 WeakPolarHBondContact O-CG 2.96Å; I628-E632 PolarHBondContact O-N 3.43Å
629	A	86	Confident	82.2	Confident	60 Å²	60	66.1 Å²	66.1	50%	0.496	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-39.7	179.2	0	0	0	0	0	112.6	S627 A633	S627-A629 VanDerWaalsContact C-N 3.25Å; S627-A629 PolarHBondContact O-N 3.44Å; A629-A633 VanDerWaalsContact O-CB 3.23Å; A629-A633 WeakPolarHBondContact O-CB 3Å; A629-A633 PolarHBondContact O-N 2.8Å
630	E	87.9	Confident	80.2	Confident	76 Å²	76	67 Å²	67	36%	0.355	39%	0.391	S	S	.	.	H	α-helix	trans	-65.5	-42.9	174.1	-176.5	-172.7	-169.5	0	0	111.2	Y625 D626 S627 I628 A633 T634	Y625-E630 HydrophobicContact CD1-CG 4.04Å; D626-E630 PolarHBondContact N-OE2 3.24Å; S627-E630 PolarHBondContact O-N 2.88Å; S627-E630 WeakPolarHBondContact OG-CB 2.99Å; S627-E630 PolarHBondContact OG-N 3Å; S627-E630 VanDerWaalsContact OG-N 3.1Å; I628-E630 PolarHBondContact O-N 2.73Å; E630-A633 PolarHBondContact O-N 2.02Å; E630-T634 VanDerWaalsContact O-CB 3.28Å; E630-T634 WeakPolarHBondContact O-CB 3.31Å; E630-T634 PolarHBondContact O-N 3.35Å; E630-T634 PolarHBondContact O-OG1 3.38Å
631	C	91.1	Very high	78.2	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-60.1	-48.5	175.5	-178.7	0	0	0	0	111.3	C610 Y625 S627 I628 A633 T634 C635	C610-C631 HydrophobicContact CB-CB 3.69Å; C610-C631 WeakPolarHBondContact CB-SG 3.16Å; C610-C631 WeakPolarHBondContact SG-CB 3.31Å; C610-C631 CovalentContact SG-SG 2.03Å; C610-C631 PolarHBondContact SG-SG 2.85Å; Y625-C631 HydrophobicContact CD1-CB 4.49Å; Y625-C631 HydrophobicContact CD2-CB 3.38Å; Y625-C631 WeakPolarHBondContact CD2-SG 2.91Å; Y625-C631 HydrophobicContact CE2-CB 4.12Å; Y625-C631 HydrophobicContact CG-CB 3.6Å; S627-C631 PolarHBondContact O-N 2.84Å; S627-C631 VanDerWaalsContact O-N 3.12Å; I628-C631 WeakPolarHBondContact O-CB 3.47Å; I628-C631 PolarHBondContact O-N 2.86Å; C631-A633 VanDerWaalsContact C-N 3.33Å; C631-A633 PolarHBondContact O-N 3.36Å; C631-T634 PolarHBondContact O-N 2.58Å; C631-C635 VanDerWaalsContact O-CB 3.24Å; C631-C635 WeakPolarHBondContact O-CB 3.41Å; C631-C635 PolarHBondContact O-N 2.86Å; C631-C635 PolarHBondContact O-SG 3.48Å
632	E	88.7	Confident	76.3	Confident	117 Å²	117	77.8 Å²	77.8	55%	0.547	44%	0.439	S	S	.	.	H	α-helix	trans	-67.5	-31.2	-179.5	-72.4	173.6	166.8	0	0	112.9	C610 I628	C610-E632 HydrophobicContact CB-CG 4.06Å; C610-E632 PolarHBondContact SG-N 2.83Å; C610-E632 VanDerWaalsContact SG-N 3.4Å; I628-E632 HydrophobicContact CG1-CG 4.3Å; I628-E632 WeakPolarHBondContact O-CB 3.22Å; I628-E632 VanDerWaalsContact O-CG 3.29Å; I628-E632 WeakPolarHBondContact O-CG 2.96Å; I628-E632 PolarHBondContact O-N 3.43Å
633	A	82.5	Confident	75	Confident	88 Å²	88	80.1 Å²	80.1	73%	0.727	44%	0.438	S	S	*	.	H	α-helix	trans	-77.1	-28.9	175.4	0	0	0	0	0	113	A629 E630 C631	A629-A633 VanDerWaalsContact O-CB 3.23Å; A629-A633 WeakPolarHBondContact O-CB 3Å; A629-A633 PolarHBondContact O-N 2.8Å; E630-A633 PolarHBondContact O-N 2.02Å; C631-A633 VanDerWaalsContact C-N 3.33Å; C631-A633 PolarHBondContact O-N 3.36Å
634	T	83.7	Confident	74.4	Confident	88 Å²	88	83.4 Å²	83.4	54%	0.54	46%	0.456	S	S	.	.	H	α-helix	trans	-93	-34.1	-175.6	-51.2	0	0	0	0	112.4	Y625 E630 C631	Y625-T634 HydrophobicContact CE1-CG2 3.76Å; E630-T634 VanDerWaalsContact O-CB 3.28Å; E630-T634 WeakPolarHBondContact O-CB 3.31Å; E630-T634 PolarHBondContact O-N 3.35Å; E630-T634 PolarHBondContact O-OG1 3.38Å; C631-T634 PolarHBondContact O-N 2.58Å
635	C	85.5	Confident	74.1	Confident	11 Å²	11	83.1 Å²	83.1	7%	0.074	46%	0.456	C	S	.	.	S	Bend	trans	-97.1	147.7	-177.3	-61.2	0	0	0	0	110.6	Y603 Y625 C631 G637	Y603-C635 WeakPolarHBondContact CB-SG 3.31Å; Y603-C635 HydrophobicContact CD1-CB 4.23Å; Y603-C635 HydrophobicContact CD2-CB 3.24Å; Y603-C635 HydrophobicContact CE2-CB 3.78Å; Y603-C635 HydrophobicContact CG-CB 3.48Å; Y603-C635 VanDerWaalsContact CG-CB 3.48Å; Y625-C635 WeakPolarHBondContact CE2-SG 3.25Å; Y625-C635 PolarHBondContact OH-SG 2.75Å; C631-C635 VanDerWaalsContact O-CB 3.24Å; C631-C635 WeakPolarHBondContact O-CB 3.41Å; C631-C635 PolarHBondContact O-N 2.86Å; C631-C635 PolarHBondContact O-SG 3.48Å; C635-G637 PolarHBondContact O-N 2.01Å
636	P	73.8	Confident	73.9	Confident	50 Å²	50	81.9 Å²	81.9	33%	0.325	45%	0.452	S	S	.	.			trans	-59.6	115.5	176	24	-31.4	0	0	0	108.6	Y603 E639	Y603-P636 HydrophobicContact CE1-CG 4.48Å; Y603-P636 WeakPolarHBondContact CE2-O 3.22Å; Y603-P636 PolarHBondContact OH-O 3.4Å; P636-E639 HydrophobicContact CB-CG 4.3Å
637	G	61.4	Low	73.9	Confident	44 Å²	44	84.8 Å²	84.8	45%	0.454	46%	0.463	S	S	.	.			trans	-61.8	-167.8	163.3	0	0	0	0	0	110.1	C635 E639	C635-G637 PolarHBondContact O-N 2.01Å; G637-E639 PolarHBondContact O-N 3.44Å
638	E	48.8	Very low	73.9	Confident	181 Å²	181	84 Å²	84	85%	0.846	46%	0.455	S	S	*	.	S	Bend	trans	-59.5	87.2	161.9	-74	-173.1	168.3	0	0	108.6	Q640	E638-Q640 PolarHBondContact O-N 2.67Å
639	E	46.5	Very low	73.9	Confident	151 Å²	151	85 Å²	85	71%	0.706	47%	0.466	S	S	*	.			trans	-63.9	110	170.9	-83.4	-174.2	175.3	0	0	106.4	P636 G637 K641	P636-E639 HydrophobicContact CB-CG 4.3Å; G637-E639 PolarHBondContact O-N 3.44Å; E639-K641 PolarHBondContact O-N 3.33Å
640	Q	41.8	Very low	74.2	Confident	163 Å²	163	84.4 Å²	84.4	76%	0.762	46%	0.459	S	S	*	.			trans	-45.7	110.2	150.9	-64	172.8	11.5	0	0	105.9	E638	E638-Q640 PolarHBondContact O-N 2.67Å
641	K	43.9	Very low	74.4	Confident	185 Å²	185	84 Å²	84	80%	0.804	46%	0.459	S	S	*	.			trans	-26	125.7	171.8	-163.9	-177.1	-168.5	-175.5	0	109.3	E639 E643	E639-K641 PolarHBondContact O-N 3.33Å; K641-E643 PolarHBondContact O-N 3.49Å
642	P	48	Very low	74.4	Confident	113 Å²	113	86.7 Å²	86.7	73%	0.734	48%	0.478	S	S	*	.			trans	-48.7	110.8	-169.1	18.2	-31.4	0	0	0	108.6	N644	P642-N644 PolarHBondContact O-N 3.35Å; P642-N644 VanDerWaalsContact O-N 3.11Å
643	E	61.7	Low	74.4	Confident	119 Å²	119	82 Å²	82	56%	0.556	46%	0.46	S	S	*	.			trans	-59.1	122.8	179.6	-72.5	-168	153.5	0	0	105.4	K641 P645 L648	K641-E643 PolarHBondContact O-N 3.49Å; E643-P645 WeakPolarHBondContact O-CD 3.44Å; E643-P645 VanDerWaalsContact O-N 3.07Å; E643-L648 HydrophobicContact CB-CD2 4.11Å; E643-L648 WeakPolarHBondContact OE2-CD2 3.38Å
644	N	77.9	Confident	74.3	Confident	76 Å²	76	81.4 Å²	81.4	41%	0.406	45%	0.45	S	S	.	.			trans	-47.9	123.3	178.8	173.8	-6.5	0	0	0	107.5	P642 C646 E647	P642-N644 PolarHBondContact O-N 3.35Å; P642-N644 VanDerWaalsContact O-N 3.11Å; N644-C646 PolarHBondContact O-N 3.36Å; N644-C646 VanDerWaalsContact O-N 3.1Å; N644-C646 VanDerWaalsContact OD1-CB 3.22Å; N644-C646 WeakPolarHBondContact OD1-CB 3.23Å; N644-C646 PolarHBondContact OD1-N 2.81Å; N644-C646 VanDerWaalsContact OD1-N 3.08Å; N644-C646 PolarHBondContact OD1-SG 2.91Å; N644-E647 HydrophobicContact CB-CB 4.14Å; N644-E647 HydrophobicContact CB-CG 3.86Å; N644-E647 VanDerWaalsContact O-CA 3.25Å; N644-E647 WeakPolarHBondContact O-CA 3.16Å; N644-E647 WeakPolarHBondContact O-CB 3.43Å; N644-E647 PolarHBondContact O-N 2.6Å
645	P	84.4	Confident	74.3	Confident	19 Å²	19	78.8 Å²	78.8	12%	0.123	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-55.6	-33.8	-176.7	-30.7	37.4	0	0	0	112.3	E643 E647 L648 E683 N684	E643-P645 WeakPolarHBondContact O-CD 3.44Å; E643-P645 VanDerWaalsContact O-N 3.07Å; P645-E647 PolarHBondContact O-N 3.5Å; P645-L648 PolarHBondContact O-N 3.38Å; P645-L648 VanDerWaalsContact O-N 3.15Å; P645-E683 HydrophobicContact CB-CB 3.78Å; P645-E683 HydrophobicContact CG-CB 3.98Å; P645-E683 WeakPolarHBondContact CG-OE2 2.98Å; P645-N684 WeakPolarHBondContact O-CB 3.39Å; P645-N684 VanDerWaalsContact O-CG 3.24Å
646	C	89.9	Confident	74.2	Confident	6 Å²	6	87.1 Å²	87.1	4%	0.041	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-65.2	-8.6	174.8	-46.2	0	0	0	0	112.8	N644 Y664 K695 C696	N644-C646 PolarHBondContact O-N 3.36Å; N644-C646 VanDerWaalsContact O-N 3.1Å; N644-C646 VanDerWaalsContact OD1-CB 3.22Å; N644-C646 WeakPolarHBondContact OD1-CB 3.23Å; N644-C646 PolarHBondContact OD1-N 2.81Å; N644-C646 VanDerWaalsContact OD1-N 3.08Å; N644-C646 PolarHBondContact OD1-SG 2.91Å; C646-Y664 HydrophobicContact CB-CD1 4.04Å; C646-Y664 HydrophobicContact CB-CG 4.32Å; C646-Y664 VanDerWaalsContact O-CD1 3.32Å; C646-Y664 WeakPolarHBondContact O-CD1 3.48Å; C646-K695 PolarHBondContact SG-O 2.82Å; C646-C696 VanDerWaalsContact CA-SG 3.56Å; C646-C696 HydrophobicContact CB-CB 3.57Å; C646-C696 WeakPolarHBondContact CB-SG 3.3Å; C646-C696 WeakPolarHBondContact SG-CA 3.38Å; C646-C696 WeakPolarHBondContact SG-CB 3.28Å; C646-C696 CovalentContact SG-SG 2.02Å; C646-C696 PolarHBondContact SG-SG 3.42Å
647	E	86.8	Confident	74.1	Confident	112 Å²	112	86.7 Å²	86.7	52%	0.523	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-95.1	-11.1	178	-70.8	-155.7	-140.3	0	0	116.2	N644 P645 K666	N644-E647 HydrophobicContact CB-CB 4.14Å; N644-E647 HydrophobicContact CB-CG 3.86Å; N644-E647 VanDerWaalsContact O-CA 3.25Å; N644-E647 WeakPolarHBondContact O-CA 3.16Å; N644-E647 WeakPolarHBondContact O-CB 3.43Å; N644-E647 PolarHBondContact O-N 2.6Å; P645-E647 PolarHBondContact O-N 3.5Å; E647-K666 VanDerWaalsContact CA-NZ 3.33Å; E647-K666 VanDerWaalsContact CB-CE 3.46Å; E647-K666 WeakPolarHBondContact O-CE 3.47Å; E647-K666 PolarHBondContact O-NZ 2.97Å; E647-K666 IonicContact OE2-NZ 3.64Å; E647-K666 PolarHBondContact OE2-NZ 3.28Å
648	L	89.9	Confident	75.3	Confident	33 Å²	33	93.2 Å²	93.2	17%	0.173	49%	0.487	C	S	.	.	S	Bend	trans	-87.7	154.9	-178.1	-55.7	170.3	0	0	0	110.8	E643 P645 N682 E683 N684	E643-L648 HydrophobicContact CB-CD2 4.11Å; E643-L648 WeakPolarHBondContact OE2-CD2 3.38Å; P645-L648 PolarHBondContact O-N 3.38Å; P645-L648 VanDerWaalsContact O-N 3.15Å; L648-N682 HydrophobicContact CD1-CB 3.99Å; L648-E683 HydrophobicContact CD1-CB 4.44Å; L648-N684 HydrophobicContact CB-CB 4.11Å; L648-N684 PolarHBondContact O-ND2 3.12Å
649	P	91.2	Very high	77	Confident	93 Å²	93	89.7 Å²	89.7	60%	0.604	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-67.9	164.7	170.5	29.5	-34.8	0	0	0	111.2	D651 N682	P649-D651 PolarHBondContact O-N 3.36Å; P649-N682 PolarHBondContact O-ND2 2.74Å; P649-N682 PolarHBondContact O-OD1 2.9Å
650	S	92.4	Very high	79.2	Confident	48 Å²	48	86.3 Å²	86.3	34%	0.336	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-65.3	132.5	164.8	44.2	0	0	0	0	110
651	D	93.6	Very high	81.8	Confident	66 Å²	66	80.5 Å²	80.5	35%	0.353	43%	0.431	S	S	.	.			trans	-129	106	178.6	-174.7	2.2	0	0	0	110.6	P649 G653 F674 G681 N682	P649-D651 PolarHBondContact O-N 3.36Å; D651-G653 PolarHBondContact O-N 3.32Å; D651-G653 PolarHBondContact OD1-N 3.31Å; D651-F674 WeakPolarHBondContact O-CE2 3.44Å; D651-G681 VanDerWaalsContact OD2-CA 3.29Å; D651-G681 WeakPolarHBondContact OD2-CA 3.32Å; D651-N682 HydrophobicContact CB-CB 4.32Å; D651-N682 VanDerWaalsContact CB-ND2 3.34Å; D651-N682 WeakPolarHBondContact CB-ND2 3.25Å
652	S	91.1	Very high	84.2	Confident	57 Å²	57	74.8 Å²	74.8	40%	0.399	41%	0.405	S	S	.	.			trans	-63.2	-19.6	176.4	-66.3	0	0	0	0	112.6	V675 Y676 G677	S652-V675 VanDerWaalsContact CB-O 3.3Å; S652-V675 WeakPolarHBondContact CB-O 2.98Å; S652-V675 PolarHBondContact OG-O 2.82Å; S652-Y676 WeakPolarHBondContact O-CD2 3.4Å; S652-G677 VanDerWaalsContact O-CA 3.27Å; S652-G677 WeakPolarHBondContact O-CA 3.12Å; S652-G677 PolarHBondContact O-N 3.31Å
653	G	87.4	Confident	86.5	Confident	18 Å²	18	71 Å²	71	19%	0.186	38%	0.376	C	S	.	.			trans	68.3	174.3	-168.4	0	0	0	0	0	112.3	D651 C655	D651-G653 PolarHBondContact O-N 3.32Å; D651-G653 PolarHBondContact OD1-N 3.31Å; G653-C655 VanDerWaalsContact C-N 3.31Å; G653-C655 PolarHBondContact O-N 2.71Å
654	P	80.7	Confident	88	Confident	77 Å²	77	66.6 Å²	66.6	50%	0.5	36%	0.355	S	S	.	.	S	Bend	trans	-79.8	-12.8	-175.8	32.2	-34.6	0	0	0	113.5	Q680	P654-Q680 HydrophobicContact CG-CB 4.5Å; P654-Q680 HydrophobicContact CG-CG 4.27Å
655	C	83.6	Confident	88.7	Confident	33 Å²	33	64.2 Å²	64.2	22%	0.223	34%	0.342	C	S	.	.			trans	-77.9	160.1	179.5	-71.4	0	0	0	0	112.2	G653 G677 C679	G653-C655 VanDerWaalsContact C-N 3.31Å; G653-C655 PolarHBondContact O-N 2.71Å; C655-G677 CarbonylContact C-O 3.54Å; C655-G677 VanDerWaalsContact C-O 3.28Å; C655-G677 WeakPolarHBondContact CB-O 2.94Å; C655-G677 WeakPolarHBondContact O-CA 3.24Å; C655-C679 HydrophobicContact CB-CB 3.85Å; C655-C679 WeakPolarHBondContact CB-SG 3.22Å; C655-C679 WeakPolarHBondContact SG-CB 3.22Å; C655-C679 CovalentContact SG-SG 2.01Å; C655-C679 PolarHBondContact SG-SG 2.98Å
656	M	82.9	Confident	88.8	Confident	186 Å²	186	68.1 Å²	68.1	92%	0.916	36%	0.357	S	S	*	.			trans	-115	18.7	-170.1	-61.9	-70.5	173.9	0	0	113.5	G677	M656-G677 PolarHBondContact N-O 3.29Å
657	A	71.8	Confident	88.6	Confident	40 Å²	40	76.7 Å²	76.7	33%	0.331	40%	0.397	S	S	.	.			trans	-70.8	159.6	171.6	0	0	0	0	0	110.9	F659 Y676 G677	A657-F659 HydrophobicContact CB-CD2 3.78Å; A657-F659 HydrophobicContact CB-CE2 3.36Å; A657-F659 HydrophobicContact CB-CZ 4.11Å; A657-Y676 VanDerWaalsContact O-O 3.12Å; A657-G677 WeakPolarHBondContact CA-O 3.16Å; A657-G677 WeakPolarHBondContact CB-O 3.45Å; A657-G677 PolarHBondContact N-O 3.41Å; A657-G677 WeakPolarHBondContact O-CA 3.35Å
658	Y	87.2	Confident	88.8	Confident	181 Å²	181	73.5 Å²	73.5	71%	0.71	39%	0.387	S	S	*	.			trans	-111.6	82.9	-178	-162	-81	0	0	0	110.2	V675	Y658-V675 HydrophobicContact CD2-CG1 3.69Å; Y658-V675 HydrophobicContact CD2-CG2 4.2Å; Y658-V675 HydrophobicContact CE1-CG2 4.29Å; Y658-V675 HydrophobicContact CE2-CB 4.5Å; Y658-V675 HydrophobicContact CE2-CG1 4Å; Y658-V675 HydrophobicContact CE2-CG2 3.64Å; Y658-V675 HydrophobicContact CG-CG1 4Å
659	F	84.7	Confident	88.7	Confident	107 Å²	107	78.1 Å²	78.1	47%	0.469	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112	173.2	-59.6	-67.9	0	0	0	110.2	A657 K661 Y676	A657-F659 HydrophobicContact CB-CD2 3.78Å; A657-F659 HydrophobicContact CB-CE2 3.36Å; A657-F659 HydrophobicContact CB-CZ 4.11Å; F659-K661 PolarHBondContact O-N 2.84Å; F659-Y676 WeakPolarHBondContact CB-O 3.4Å; F659-Y676 HydrophobicContact CD2-CD1 4.33Å; F659-Y676 WeakPolarHBondContact CD2-O 3.45Å; F659-Y676 PolarHBondContact N-O 2.83Å; F659-Y676 VanDerWaalsContact N-O 3.11Å; F659-Y676 PolarHBondContact O-N 2.98Å
660	T	93	Very high	88.6	Confident	80 Å²	80	80.5 Å²	80.5	49%	0.491	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	117.7	170.5	-52.6	0	0	0	0	109	T673	T660-T673 HydrophobicContact CG2-CG2 4.02Å
661	K	95.4	Very high	88.7	Confident	41 Å²	41	79 Å²	79	18%	0.178	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	167.4	175.6	-63.5	-67.6	-175.7	-179.6	0	109.5	F659 T673 F674 Y676 R685 D687	F659-K661 PolarHBondContact O-N 2.84Å; K661-T673 CarbonylContact O-C 3.52Å; K661-T673 VanDerWaalsContact O-CA 3.25Å; K661-T673 WeakPolarHBondContact O-CA 3.45Å; K661-F674 HydrophobicContact CB-CD1 4.1Å; K661-F674 HydrophobicContact CB-CE1 3.61Å; K661-F674 HydrophobicContact CB-CZ 4.17Å; K661-F674 PolarHBondContact N-O 3.21Å; K661-F674 PolarHBondContact O-N 3.36Å; K661-Y676 HydrophobicContact CG-CG 4.47Å; K661-R685 HydrophobicContact CB-CG 3.8Å; K661-R685 HydrophobicContact CD-CG 4.27Å; K661-R685 HydrophobicContact CG-CG 3.81Å; K661-D687 WeakPolarHBondContact CD-OD1 3.47Å; K661-D687 WeakPolarHBondContact CE-OD1 3.21Å; K661-D687 IonicContact NZ-OD1 3.01Å; K661-D687 PolarHBondContact NZ-OD1 3.01Å; K661-D687 IonicContact NZ-OD2 2.74Å
662	Y	95.5	Very high	88.8	Confident	65 Å²	65	79.1 Å²	79.1	26%	0.255	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	143.7	175.5	-64.3	-94.3	0	0	0	110.4	E672 T673 R685 F686 T688 L689	Y662-E672 CarbonylContact C-O 3.54Å; Y662-E672 VanDerWaalsContact CA-O 3.29Å; Y662-E672 WeakPolarHBondContact CA-O 3.25Å; Y662-T673 HydrophobicContact CD1-CG2 3.82Å; Y662-T673 HydrophobicContact CE1-CG2 3.42Å; Y662-T673 VanDerWaalsContact CE1-CG2 3.42Å; Y662-R685 CarbonylContact O-C 3.52Å; Y662-R685 WeakPolarHBondContact O-CA 3.46Å; Y662-F686 PolarHBondContact N-O 3.46Å; Y662-F686 WeakPolarHBondContact O-CD2 3.24Å; Y662-F686 PolarHBondContact O-N 3.15Å; Y662-T688 VanDerWaalsContact CD2-C 3.41Å; Y662-L689 HydrophobicContact CD1-CB 3.98Å; Y662-L689 HydrophobicContact CD1-CD1 3.87Å; Y662-L689 HydrophobicContact CE1-CB 3.72Å; Y662-L689 HydrophobicContact CE1-CD1 4.06Å; Y662-L689 HydrophobicContact CE1-CG 4.39Å; Y662-L689 HydrophobicContact CE2-CB 4.49Å; Y662-L689 HydrophobicContact CG-CB 4.46Å
663	Y	94.9	Very high	88.9	Confident	34 Å²	34	80.5 Å²	80.5	13%	0.133	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.8	171.5	80.4	-75	0	0	0	109.6	N665 C671 E672 F674 N684	Y663-N665 HydrophobicContact CE2-CB 3.78Å; Y663-N665 PolarHBondContact O-N 2.69Å; Y663-N665 PolarHBondContact OH-ND2 3.02Å; Y663-C671 CarbonylContact O-C 3.58Å; Y663-C671 VanDerWaalsContact O-CA 3.31Å; Y663-C671 WeakPolarHBondContact O-CA 3.29Å; Y663-E672 HydrophobicContact CD1-CB 4.35Å; Y663-E672 VanDerWaalsContact CD1-O 3.29Å; Y663-E672 WeakPolarHBondContact CD1-O 3.4Å; Y663-E672 HydrophobicContact CE1-CB 3.83Å; Y663-E672 PolarHBondContact N-O 3.15Å; Y663-E672 PolarHBondContact O-N 2.94Å; Y663-F674 HydrophobicContact CD1-CB 3.83Å; Y663-F674 AromaticContact CD1-CD1 3.66Å; Y663-F674 HydrophobicContact CD1-CD1 3.66Å; Y663-F674 AromaticContact CD1-CG 3.99Å; Y663-F674 HydrophobicContact CD1-CG 3.99Å; Y663-F674 HydrophobicContact CE1-CB 3.99Å; Y663-F674 HydrophobicContact CG-CD1 4.1Å; Y663-N684 WeakPolarHBondContact CB-O 3.06Å
664	Y	94.3	Very high	89.3	Confident	26 Å²	26	80.5 Å²	80.5	10%	0.102	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	115.2	174.1	-174.1	-100.8	0	0	0	110.7	C646 N684 C696	C646-Y664 HydrophobicContact CB-CD1 4.04Å; C646-Y664 HydrophobicContact CB-CG 4.32Å; C646-Y664 VanDerWaalsContact O-CD1 3.32Å; C646-Y664 WeakPolarHBondContact O-CD1 3.48Å; Y664-N684 PolarHBondContact N-OD1 3.41Å; Y664-N684 PolarHBondContact O-ND2 2.93Å; Y664-C696 HydrophobicContact CD1-CB 4.27Å; Y664-C696 HydrophobicContact CD2-CB 3.46Å; Y664-C696 VanDerWaalsContact CD2-CB 3.46Å; Y664-C696 HydrophobicContact CE2-CB 4.17Å; Y664-C696 WeakPolarHBondContact CE2-O 3.36Å; Y664-C696 HydrophobicContact CG-CB 3.5Å
665	N	91.8	Very high	89.8	Confident	27 Å²	27	79.1 Å²	79.1	14%	0.144	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	110	175.2	-176.1	-18.3	0	0	0	109.7	Y663 E667 S668 K669 K670 E672	Y663-N665 HydrophobicContact CE2-CB 3.78Å; Y663-N665 PolarHBondContact O-N 2.69Å; Y663-N665 PolarHBondContact OH-ND2 3.02Å; N665-E667 PolarHBondContact O-N 3.49Å; N665-E667 WeakPolarHBondContact OD1-CB 3.23Å; N665-E667 PolarHBondContact OD1-N 2.87Å; N665-S668 WeakPolarHBondContact CB-OG 3.37Å; N665-S668 PolarHBondContact O-N 3.26Å; N665-S668 PolarHBondContact OD1-N 3.1Å; N665-K669 WeakPolarHBondContact O-CA 3.5Å; N665-K669 PolarHBondContact O-N 3.46Å; N665-K670 PolarHBondContact N-O 3.21Å; N665-K670 PolarHBondContact O-N 3.08Å; N665-E672 HydrophobicContact CB-CG 4.3Å; N665-E672 PolarHBondContact ND2-OE2 2.96Å
666	K	87.3	Confident	90.2	Very high	101 Å²	101	78.7 Å²	78.7	44%	0.439	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.5	178.1	-71.9	-170.8	-179.9	178.4	0	113.8	E647	E647-K666 VanDerWaalsContact CA-NZ 3.33Å; E647-K666 VanDerWaalsContact CB-CE 3.46Å; E647-K666 WeakPolarHBondContact O-CE 3.47Å; E647-K666 PolarHBondContact O-NZ 2.97Å; E647-K666 IonicContact OE2-NZ 3.64Å; E647-K666 PolarHBondContact OE2-NZ 3.28Å
667	E	85.8	Confident	90.2	Very high	185 Å²	185	70 Å²	70	86%	0.864	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-42	-175.3	-62.5	-174	171.2	0	0	111.1	N665	N665-E667 PolarHBondContact O-N 3.49Å; N665-E667 WeakPolarHBondContact OD1-CB 3.23Å; N665-E667 PolarHBondContact OD1-N 2.87Å
668	S	89.6	Confident	90.6	Very high	46 Å²	46	69.8 Å²	69.8	32%	0.322	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.1	178.4	70.5	0	0	0	0	113.8	N665 K670 E672	N665-S668 WeakPolarHBondContact CB-OG 3.37Å; N665-S668 PolarHBondContact O-N 3.26Å; N665-S668 PolarHBondContact OD1-N 3.1Å; S668-K670 PolarHBondContact O-N 3.39Å; S668-E672 WeakPolarHBondContact CB-OE1 3.42Å; S668-E672 PolarHBondContact OG-OE1 2.83Å
669	K	87.9	Confident	90.3	Very high	129 Å²	129	62.8 Å²	62.8	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	36.6	-172	-63	-169.4	165.9	-145	0	112.9	N665 E698	N665-K669 WeakPolarHBondContact O-CA 3.5Å; N665-K669 PolarHBondContact O-N 3.46Å; K669-E698 IonicContact NZ-OE1 3.64Å; K669-E698 PolarHBondContact NZ-OE1 3.41Å
670	K	90.3	Very high	90.4	Very high	143 Å²	143	64.7 Å²	64.7	62%	0.622	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.5	154	-176.8	-70.3	179.4	-176.9	-178.9	0	111.3	N665 S668	N665-K670 PolarHBondContact N-O 3.21Å; N665-K670 PolarHBondContact O-N 3.08Å; S668-K670 PolarHBondContact O-N 3.39Å
671	C	94.2	Very high	90	Very high	18 Å²	18	62.2 Å²	62.2	12%	0.122	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.7	166.4	-71.9	0	0	0	0	110.1	Y663 L689 C692 E693	Y663-C671 CarbonylContact O-C 3.58Å; Y663-C671 VanDerWaalsContact O-CA 3.31Å; Y663-C671 WeakPolarHBondContact O-CA 3.29Å; C671-L689 HydrophobicContact CB-CD1 3.51Å; C671-C692 HydrophobicContact CB-CB 3.7Å; C671-C692 WeakPolarHBondContact CB-SG 3.48Å; C671-C692 WeakPolarHBondContact SG-CB 3.26Å; C671-C692 CovalentContact SG-SG 2.03Å; C671-C692 PolarHBondContact SG-SG 2.99Å; C671-E693 HydrophobicContact CB-CG 4.22Å; C671-E693 PolarHBondContact SG-N 2.78Å; C671-E693 VanDerWaalsContact SG-N 3.42Å
672	E	95	Very high	89.8	Confident	67 Å²	67	61.7 Å²	61.7	31%	0.313	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.3	-178	-69.8	176.4	-172.6	0	0	110	Y662 Y663 N665 S668	Y662-E672 CarbonylContact C-O 3.54Å; Y662-E672 VanDerWaalsContact CA-O 3.29Å; Y662-E672 WeakPolarHBondContact CA-O 3.25Å; Y663-E672 HydrophobicContact CD1-CB 4.35Å; Y663-E672 VanDerWaalsContact CD1-O 3.29Å; Y663-E672 WeakPolarHBondContact CD1-O 3.4Å; Y663-E672 HydrophobicContact CE1-CB 3.83Å; Y663-E672 PolarHBondContact N-O 3.15Å; Y663-E672 PolarHBondContact O-N 2.94Å; N665-E672 HydrophobicContact CB-CG 4.3Å; N665-E672 PolarHBondContact ND2-OE2 2.96Å; S668-E672 WeakPolarHBondContact CB-OE1 3.42Å; S668-E672 PolarHBondContact OG-OE1 2.83Å
673	T	94.4	Very high	89.6	Confident	87 Å²	87	64.8 Å²	64.8	53%	0.534	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	140.2	177.2	54	0	0	0	0	111.4	T660 K661 Y662	T660-T673 HydrophobicContact CG2-CG2 4.02Å; K661-T673 CarbonylContact O-C 3.52Å; K661-T673 VanDerWaalsContact O-CA 3.25Å; K661-T673 WeakPolarHBondContact O-CA 3.45Å; Y662-T673 HydrophobicContact CD1-CG2 3.82Å; Y662-T673 HydrophobicContact CE1-CG2 3.42Å; Y662-T673 VanDerWaalsContact CE1-CG2 3.42Å
674	F	94.7	Very high	89.5	Confident	18 Å²	18	63.1 Å²	63.1	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	164.7	167	80.4	-67.8	0	0	0	110.7	D651 K661 Y663 R685	D651-F674 WeakPolarHBondContact O-CE2 3.44Å; K661-F674 HydrophobicContact CB-CD1 4.1Å; K661-F674 HydrophobicContact CB-CE1 3.61Å; K661-F674 HydrophobicContact CB-CZ 4.17Å; K661-F674 PolarHBondContact N-O 3.21Å; K661-F674 PolarHBondContact O-N 3.36Å; Y663-F674 HydrophobicContact CD1-CB 3.83Å; Y663-F674 AromaticContact CD1-CD1 3.66Å; Y663-F674 HydrophobicContact CD1-CD1 3.66Å; Y663-F674 AromaticContact CD1-CG 3.99Å; Y663-F674 HydrophobicContact CD1-CG 3.99Å; Y663-F674 HydrophobicContact CE1-CB 3.99Å; Y663-F674 HydrophobicContact CG-CD1 4.1Å; F674-R685 HydrophobicContact CE1-CB 4.21Å; F674-R685 HydrophobicContact CE1-CG 3.99Å; F674-R685 HydrophobicContact CZ-CB 3.92Å; F674-R685 HydrophobicContact CZ-CG 3.7Å
675	V	92.1	Very high	89.5	Confident	48 Å²	48	65.4 Å²	65.4	29%	0.291	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.9	176.7	-178.3	0	0	0	0	108.5	S652 Y658	S652-V675 VanDerWaalsContact CB-O 3.3Å; S652-V675 WeakPolarHBondContact CB-O 2.98Å; S652-V675 PolarHBondContact OG-O 2.82Å; Y658-V675 HydrophobicContact CD2-CG1 3.69Å; Y658-V675 HydrophobicContact CD2-CG2 4.2Å; Y658-V675 HydrophobicContact CE1-CG2 4.29Å; Y658-V675 HydrophobicContact CE2-CB 4.5Å; Y658-V675 HydrophobicContact CE2-CG1 4Å; Y658-V675 HydrophobicContact CE2-CG2 3.64Å; Y658-V675 HydrophobicContact CG-CG1 4Å
676	Y	92.4	Very high	89.6	Confident	24 Å²	24	64.2 Å²	64.2	9%	0.094	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.7	171.1	176.6	-122.5	0	0	0	110.5	S652 A657 F659 K661 G678 C679 Q680 R685	S652-Y676 WeakPolarHBondContact O-CD2 3.4Å; A657-Y676 VanDerWaalsContact O-O 3.12Å; F659-Y676 WeakPolarHBondContact CB-O 3.4Å; F659-Y676 HydrophobicContact CD2-CD1 4.33Å; F659-Y676 WeakPolarHBondContact CD2-O 3.45Å; F659-Y676 PolarHBondContact N-O 2.83Å; F659-Y676 VanDerWaalsContact N-O 3.11Å; F659-Y676 PolarHBondContact O-N 2.98Å; K661-Y676 HydrophobicContact CG-CG 4.47Å; Y676-G678 VanDerWaalsContact CE1-CA 3.45Å; Y676-G678 PolarHBondContact O-N 2.78Å; Y676-C679 WeakPolarHBondContact CE2-O 3.36Å; Y676-C679 VanDerWaalsContact OH-CA 3.28Å; Y676-C679 WeakPolarHBondContact OH-CA 3.47Å; Y676-C679 PolarHBondContact OH-N 3.5Å; Y676-C679 PolarHBondContact OH-O 3.1Å; Y676-Q680 VanDerWaalsContact CE2-O 3.28Å; Y676-Q680 WeakPolarHBondContact CE2-O 3.29Å; Y676-Q680 PolarHBondContact OH-N 2.95Å; Y676-Q680 PolarHBondContact OH-O 3.22Å; Y676-R685 VanDerWaalsContact CG-CD 3.48Å; Y676-R685 VanDerWaalsContact CZ-CZ 3.48Å; Y676-R685 VanDerWaalsContact CZ-NH1 3.25Å; Y676-R685 PolarHBondContact OH-NH1 2.84Å
677	G	82.9	Confident	89.8	Confident	3 Å²	3	64.2 Å²	64.2	3%	0.031	33%	0.333	C	S	.	.			trans	-69	-11.3	-176.8	0	0	0	0	0	115.3	S652 C655 M656 A657	S652-G677 VanDerWaalsContact O-CA 3.27Å; S652-G677 WeakPolarHBondContact O-CA 3.12Å; S652-G677 PolarHBondContact O-N 3.31Å; C655-G677 CarbonylContact C-O 3.54Å; C655-G677 VanDerWaalsContact C-O 3.28Å; C655-G677 WeakPolarHBondContact CB-O 2.94Å; C655-G677 WeakPolarHBondContact O-CA 3.24Å; M656-G677 PolarHBondContact N-O 3.29Å; A657-G677 WeakPolarHBondContact CA-O 3.16Å; A657-G677 WeakPolarHBondContact CB-O 3.45Å; A657-G677 PolarHBondContact N-O 3.41Å; A657-G677 WeakPolarHBondContact O-CA 3.35Å
678	G	80.2	Confident	90.1	Very high	35 Å²	35	58.3 Å²	58.3	36%	0.361	31%	0.31	S	S	.	.	S	Bend	trans	93.7	-0.9	176.3	0	0	0	0	0	115.6	Y676	Y676-G678 VanDerWaalsContact CE1-CA 3.45Å; Y676-G678 PolarHBondContact O-N 2.78Å
679	C	79.9	Confident	90.2	Very high	35 Å²	35	58.8 Å²	58.8	24%	0.236	31%	0.308	C	S	.	.	S	Bend	trans	-147.2	157.5	169.9	77.1	0	0	0	0	111.8	C655 Y676 G681	C655-C679 HydrophobicContact CB-CB 3.85Å; C655-C679 WeakPolarHBondContact CB-SG 3.22Å; C655-C679 WeakPolarHBondContact SG-CB 3.22Å; C655-C679 CovalentContact SG-SG 2.01Å; C655-C679 PolarHBondContact SG-SG 2.98Å; Y676-C679 WeakPolarHBondContact CE2-O 3.36Å; Y676-C679 VanDerWaalsContact OH-CA 3.28Å; Y676-C679 WeakPolarHBondContact OH-CA 3.47Å; Y676-C679 PolarHBondContact OH-N 3.5Å; Y676-C679 PolarHBondContact OH-O 3.1Å; C679-G681 PolarHBondContact O-N 2.8Å
680	Q	86.2	Confident	90.2	Very high	146 Å²	146	58.7 Å²	58.7	68%	0.682	31%	0.31	S	S	*	.			trans	50.8	-134	-176.9	-53.4	-176.1	-2.4	0	0	112	P654 Y676 R685	P654-Q680 HydrophobicContact CG-CB 4.5Å; P654-Q680 HydrophobicContact CG-CG 4.27Å; Y676-Q680 VanDerWaalsContact CE2-O 3.28Å; Y676-Q680 WeakPolarHBondContact CE2-O 3.29Å; Y676-Q680 PolarHBondContact OH-N 2.95Å; Y676-Q680 PolarHBondContact OH-O 3.22Å; Q680-R685 PolarHBondContact O-NH1 3.49Å
681	G	85.2	Confident	90.2	Very high	28 Å²	28	55.9 Å²	55.9	29%	0.289	30%	0.299	S	S	.	.			trans	80.8	-174.9	-172.1	0	0	0	0	0	112.5	D651 C679	D651-G681 VanDerWaalsContact OD2-CA 3.29Å; D651-G681 WeakPolarHBondContact OD2-CA 3.32Å; C679-G681 PolarHBondContact O-N 2.8Å
682	N	91.2	Very high	90.1	Very high	30 Å²	30	55 Å²	55	16%	0.16	29%	0.293	C	S	.	.			trans	-114.4	179.8	176.2	70.7	37.9	0	0	0	112.4	L648 P649 D651 N684 R685	L648-N682 HydrophobicContact CD1-CB 3.99Å; P649-N682 PolarHBondContact O-ND2 2.74Å; P649-N682 PolarHBondContact O-OD1 2.9Å; D651-N682 HydrophobicContact CB-CB 4.32Å; D651-N682 VanDerWaalsContact CB-ND2 3.34Å; D651-N682 WeakPolarHBondContact CB-ND2 3.25Å; N682-N684 VanDerWaalsContact C-N 3.33Å; N682-N684 PolarHBondContact O-N 2.9Å; N682-N684 WeakPolarHBondContact OD1-CB 3.42Å; N682-N684 PolarHBondContact OD1-N 3.25Å; N682-R685 PolarHBondContact O-NH1 2.69Å
683	E	91.3	Very high	89.9	Confident	130 Å²	130	56.6 Å²	56.6	61%	0.607	30%	0.3	S	S	*	.	S	Bend	trans	-78.2	-6.3	-174.2	-62.7	-160.3	149.9	0	0	115	P645 L648 R685	P645-E683 HydrophobicContact CB-CB 3.78Å; P645-E683 HydrophobicContact CG-CB 3.98Å; P645-E683 WeakPolarHBondContact CG-OE2 2.98Å; L648-E683 HydrophobicContact CD1-CB 4.44Å; E683-R685 PolarHBondContact O-N 2.86Å
684	N	93.8	Very high	89.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.308	C	S	.	.			trans	-76.6	59.2	172.5	-158.7	1.3	0	0	0	110.7	P645 L648 Y663 Y664 N682 F686	P645-N684 WeakPolarHBondContact O-CB 3.39Å; P645-N684 VanDerWaalsContact O-CG 3.24Å; L648-N684 HydrophobicContact CB-CB 4.11Å; L648-N684 PolarHBondContact O-ND2 3.12Å; Y663-N684 WeakPolarHBondContact CB-O 3.06Å; Y664-N684 PolarHBondContact N-OD1 3.41Å; Y664-N684 PolarHBondContact O-ND2 2.93Å; N682-N684 VanDerWaalsContact C-N 3.33Å; N682-N684 PolarHBondContact O-N 2.9Å; N682-N684 WeakPolarHBondContact OD1-CB 3.42Å; N682-N684 PolarHBondContact OD1-N 3.25Å; N684-F686 WeakPolarHBondContact OD1-CE2 2.97Å
685	R	94.1	Very high	89.2	Confident	74 Å²	74	61.1 Å²	61.1	28%	0.279	33%	0.329	S	S	.	.			trans	-149.2	114.4	-172.9	-176.6	177.9	66.8	-130.8	3.7	109.7	K661 Y662 F674 Y676 Q680 N682 E683	K661-R685 HydrophobicContact CB-CG 3.8Å; K661-R685 HydrophobicContact CD-CG 4.27Å; K661-R685 HydrophobicContact CG-CG 3.81Å; Y662-R685 CarbonylContact O-C 3.52Å; Y662-R685 WeakPolarHBondContact O-CA 3.46Å; F674-R685 HydrophobicContact CE1-CB 4.21Å; F674-R685 HydrophobicContact CE1-CG 3.99Å; F674-R685 HydrophobicContact CZ-CB 3.92Å; F674-R685 HydrophobicContact CZ-CG 3.7Å; Y676-R685 VanDerWaalsContact CG-CD 3.48Å; Y676-R685 VanDerWaalsContact CZ-CZ 3.48Å; Y676-R685 VanDerWaalsContact CZ-NH1 3.25Å; Y676-R685 PolarHBondContact OH-NH1 2.84Å; Q680-R685 PolarHBondContact O-NH1 3.49Å; N682-R685 PolarHBondContact O-NH1 2.69Å; E683-R685 PolarHBondContact O-N 2.86Å
686	F	94.1	Very high	89	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-124	149.1	-176.6	-50.7	-73.4	0	0	0	110.7	Y662 N684 E691 C692 K695 C696	Y662-F686 PolarHBondContact N-O 3.46Å; Y662-F686 WeakPolarHBondContact O-CD2 3.24Å; Y662-F686 PolarHBondContact O-N 3.15Å; N684-F686 WeakPolarHBondContact OD1-CE2 2.97Å; F686-E691 HydrophobicContact CB-CB 4.24Å; F686-E691 HydrophobicContact CB-CG 4.25Å; F686-E691 HydrophobicContact CD1-CG 3.99Å; F686-E691 HydrophobicContact CG-CG 4.5Å; F686-C692 HydrophobicContact CB-CB 3.81Å; F686-C692 HydrophobicContact CD2-CB 3.3Å; F686-C692 WeakPolarHBondContact CD2-SG 3.46Å; F686-C692 HydrophobicContact CE2-CB 4.05Å; F686-C692 HydrophobicContact CG-CB 3.67Å; F686-K695 HydrophobicContact CE1-CB 4.16Å; F686-K695 HydrophobicContact CE1-CD 3.66Å; F686-K695 HydrophobicContact CE1-CG 4.13Å; F686-K695 HydrophobicContact CZ-CB 4.42Å; F686-K695 HydrophobicContact CZ-CD 4.33Å; F686-K695 HydrophobicContact CZ-CG 4.38Å; F686-C696 VanDerWaalsContact CZ-SG 3.55Å
687	D	91.5	Very high	88.1	Confident	102 Å²	102	60.7 Å²	60.7	55%	0.545	34%	0.335	S	S	.	.	S	Bend	trans	-80.1	-30.7	-175.5	-75.3	-3.8	0	0	0	111.8	K661 E691	K661-D687 WeakPolarHBondContact CD-OD1 3.47Å; K661-D687 WeakPolarHBondContact CE-OD1 3.21Å; K661-D687 IonicContact NZ-OD1 3.01Å; K661-D687 PolarHBondContact NZ-OD1 3.01Å; K661-D687 IonicContact NZ-OD2 2.74Å; D687-E691 PolarHBondContact N-OE2 3.11Å
688	T	91.7	Very high	87.2	Confident	61 Å²	61	66.9 Å²	66.9	37%	0.374	36%	0.363	S	S	.	.	S	Bend	trans	-128.6	160.1	177	80.1	0	0	0	0	112.1	Y662 E690 E691 C692	Y662-T688 VanDerWaalsContact CD2-C 3.41Å; T688-E690 VanDerWaalsContact C-N 3.27Å; T688-E690 VanDerWaalsContact CB-OE2 3.25Å; T688-E690 WeakPolarHBondContact CB-OE2 3.21Å; T688-E690 PolarHBondContact O-N 2.75Å; T688-E690 PolarHBondContact OG1-N 2.76Å; T688-E690 PolarHBondContact OG1-OE2 2.99Å; T688-E690 VanDerWaalsContact OG1-OE2 3.07Å; T688-E691 PolarHBondContact O-N 3.4Å; T688-E691 PolarHBondContact OG1-N 2.03Å; T688-C692 PolarHBondContact O-N 3.46Å
689	L	91.4	Very high	85.8	Confident	55 Å²	55	73 Å²	73	29%	0.288	38%	0.382	S	S	.	.	H	α-helix	trans	-61	-41.1	174.8	178.6	61.2	0	0	0	110.7	Y662 C671 E691 C692 E693	Y662-L689 HydrophobicContact CD1-CB 3.98Å; Y662-L689 HydrophobicContact CD1-CD1 3.87Å; Y662-L689 HydrophobicContact CE1-CB 3.72Å; Y662-L689 HydrophobicContact CE1-CD1 4.06Å; Y662-L689 HydrophobicContact CE1-CG 4.39Å; Y662-L689 HydrophobicContact CE2-CB 4.49Å; Y662-L689 HydrophobicContact CG-CB 4.46Å; C671-L689 HydrophobicContact CB-CD1 3.51Å; L689-E691 VanDerWaalsContact C-N 3.34Å; L689-E691 PolarHBondContact O-N 2.62Å; L689-C692 WeakPolarHBondContact O-CB 3.36Å; L689-C692 PolarHBondContact O-N 2.83Å; L689-E693 HydrophobicContact CD1-CG 4.14Å; L689-E693 HydrophobicContact CG-CG 4.34Å; L689-E693 WeakPolarHBondContact O-CG 3.3Å; L689-E693 PolarHBondContact O-N 2.93Å
690	E	87.9	Confident	84.2	Confident	128 Å²	128	80.2 Å²	80.2	60%	0.598	41%	0.409	S	S	*	.	H	α-helix	trans	-64.9	-36.9	-178.3	-59.7	77.5	-168.9	0	0	112.1	T688 A694	T688-E690 VanDerWaalsContact C-N 3.27Å; T688-E690 VanDerWaalsContact CB-OE2 3.25Å; T688-E690 WeakPolarHBondContact CB-OE2 3.21Å; T688-E690 PolarHBondContact O-N 2.75Å; T688-E690 PolarHBondContact OG1-N 2.76Å; T688-E690 PolarHBondContact OG1-OE2 2.99Å; T688-E690 VanDerWaalsContact OG1-OE2 3.07Å; E690-A694 WeakPolarHBondContact O-CB 3.22Å; E690-A694 PolarHBondContact O-N 2.71Å
691	E	90.7	Very high	82.2	Confident	84 Å²	84	78.7 Å²	78.7	39%	0.393	41%	0.412	S	S	.	.	H	α-helix	trans	-65.6	-45.1	175.7	-174.6	-171.3	-175	0	0	110.9	F686 D687 T688 L689 A694 K695	F686-E691 HydrophobicContact CB-CB 4.24Å; F686-E691 HydrophobicContact CB-CG 4.25Å; F686-E691 HydrophobicContact CD1-CG 3.99Å; F686-E691 HydrophobicContact CG-CG 4.5Å; D687-E691 PolarHBondContact N-OE2 3.11Å; T688-E691 PolarHBondContact O-N 3.4Å; T688-E691 PolarHBondContact OG1-N 2.03Å; L689-E691 VanDerWaalsContact C-N 3.34Å; L689-E691 PolarHBondContact O-N 2.62Å; E691-A694 PolarHBondContact O-N 2.65Å; E691-K695 WeakPolarHBondContact O-CB 3.46Å; E691-K695 PolarHBondContact O-N 2.96Å
692	C	92.6	Very high	80.4	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-61	-48.2	175.5	-178.2	0	0	0	0	111.5	C671 F686 T688 L689 K695 C696	C671-C692 HydrophobicContact CB-CB 3.7Å; C671-C692 WeakPolarHBondContact CB-SG 3.48Å; C671-C692 WeakPolarHBondContact SG-CB 3.26Å; C671-C692 CovalentContact SG-SG 2.03Å; C671-C692 PolarHBondContact SG-SG 2.99Å; F686-C692 HydrophobicContact CB-CB 3.81Å; F686-C692 HydrophobicContact CD2-CB 3.3Å; F686-C692 WeakPolarHBondContact CD2-SG 3.46Å; F686-C692 HydrophobicContact CE2-CB 4.05Å; F686-C692 HydrophobicContact CG-CB 3.67Å; T688-C692 PolarHBondContact O-N 3.46Å; L689-C692 WeakPolarHBondContact O-CB 3.36Å; L689-C692 PolarHBondContact O-N 2.83Å; C692-K695 PolarHBondContact O-N 2.76Å; C692-C696 VanDerWaalsContact O-CB 3.24Å; C692-C696 WeakPolarHBondContact O-CB 3.48Å; C692-C696 PolarHBondContact O-N 2.73Å
693	E	90.4	Very high	78.7	Confident	99 Å²	99	88.6 Å²	88.6	46%	0.463	46%	0.455	S	S	.	.	H	α-helix	trans	-65.4	-41.4	179.2	-72.1	-176.4	161.9	0	0	111.3	C671 L689 K695 A697	C671-E693 HydrophobicContact CB-CG 4.22Å; C671-E693 PolarHBondContact SG-N 2.78Å; C671-E693 VanDerWaalsContact SG-N 3.42Å; L689-E693 HydrophobicContact CD1-CG 4.14Å; L689-E693 HydrophobicContact CG-CG 4.34Å; L689-E693 WeakPolarHBondContact O-CG 3.3Å; L689-E693 PolarHBondContact O-N 2.93Å; E693-K695 VanDerWaalsContact C-N 3.28Å; E693-K695 PolarHBondContact O-N 2.65Å; E693-A697 WeakPolarHBondContact O-CA 3.26Å; E693-A697 WeakPolarHBondContact O-CB 3.31Å; E693-A697 PolarHBondContact O-N 2.75Å
694	A	85.9	Confident	77.6	Confident	85 Å²	85	85.9 Å²	85.9	70%	0.702	44%	0.444	S	S	*	.	H	α-helix	trans	-63.4	-35.2	178.1	0	0	0	0	0	112.6	E690 E691	E690-A694 WeakPolarHBondContact O-CB 3.22Å; E690-A694 PolarHBondContact O-N 2.71Å; E691-A694 PolarHBondContact O-N 2.65Å
695	K	87.1	Confident	76.5	Confident	115 Å²	115	90.5 Å²	90.5	50%	0.5	48%	0.475	S	S	.	.	H	α-helix	trans	-89.1	-30.3	-176.8	-168.4	153.4	161.8	-167.4	0	113.3	C646 F686 E691 C692 E693	C646-K695 PolarHBondContact SG-O 2.82Å; F686-K695 HydrophobicContact CE1-CB 4.16Å; F686-K695 HydrophobicContact CE1-CD 3.66Å; F686-K695 HydrophobicContact CE1-CG 4.13Å; F686-K695 HydrophobicContact CZ-CB 4.42Å; F686-K695 HydrophobicContact CZ-CD 4.33Å; F686-K695 HydrophobicContact CZ-CG 4.38Å; E691-K695 WeakPolarHBondContact O-CB 3.46Å; E691-K695 PolarHBondContact O-N 2.96Å; C692-K695 PolarHBondContact O-N 2.76Å; E693-K695 VanDerWaalsContact C-N 3.28Å; E693-K695 PolarHBondContact O-N 2.65Å
696	C	87.8	Confident	75.8	Confident	9 Å²	9	89.6 Å²	89.6	6%	0.061	48%	0.479	C	S	.	.	H	α-helix	trans	-120.3	-13.7	-170.9	-61.2	0	0	0	0	116	C646 Y664 F686 C692 E698	C646-C696 VanDerWaalsContact CA-SG 3.56Å; C646-C696 HydrophobicContact CB-CB 3.57Å; C646-C696 WeakPolarHBondContact CB-SG 3.3Å; C646-C696 WeakPolarHBondContact SG-CA 3.38Å; C646-C696 WeakPolarHBondContact SG-CB 3.28Å; C646-C696 CovalentContact SG-SG 2.02Å; C646-C696 PolarHBondContact SG-SG 3.42Å; Y664-C696 HydrophobicContact CD1-CB 4.27Å; Y664-C696 HydrophobicContact CD2-CB 3.46Å; Y664-C696 VanDerWaalsContact CD2-CB 3.46Å; Y664-C696 HydrophobicContact CE2-CB 4.17Å; Y664-C696 WeakPolarHBondContact CE2-O 3.36Å; Y664-C696 HydrophobicContact CG-CB 3.5Å; F686-C696 VanDerWaalsContact CZ-SG 3.55Å; C692-C696 VanDerWaalsContact O-CB 3.24Å; C692-C696 WeakPolarHBondContact O-CB 3.48Å; C692-C696 PolarHBondContact O-N 2.73Å; C696-E698 PolarHBondContact O-N 2.92Å
697	A	75	Confident	74.9	Confident	55 Å²	55	96 Å²	96	46%	0.455	51%	0.507	S	S	.	.	S	Bend	trans	-62.4	126.4	168.5	0	0	0	0	0	107.6	E693 E699	E693-A697 WeakPolarHBondContact O-CA 3.26Å; E693-A697 WeakPolarHBondContact O-CB 3.31Å; E693-A697 PolarHBondContact O-N 2.75Å; A697-E699 PolarHBondContact O-N 2.83Å
698	E	64	Low	74.1	Confident	133 Å²	133	95.2 Å²	95.2	62%	0.621	50%	0.502	S	S	*	.			trans	-42.1	107	178.7	-70.3	177.8	-175.2	0	0	109.2	K669 C696 K700	K669-E698 IonicContact NZ-OE1 3.64Å; K669-E698 PolarHBondContact NZ-OE1 3.41Å; C696-E698 PolarHBondContact O-N 2.92Å; E698-K700 PolarHBondContact O-N 3.45Å
699	E	49.6	Very low	73.5	Confident	162 Å²	162	97.3 Å²	97.3	76%	0.757	52%	0.517	S	S	*	.			trans	-50.4	116.3	163.9	-75.8	-166.4	164.3	0	0	105	A697	A697-E699 PolarHBondContact O-N 2.83Å
700	K	45.8	Very low	73.2	Confident	188 Å²	188	97.3 Å²	97.3	82%	0.817	53%	0.525	S	S	*	.			trans	-40.7	125.3	170.7	-70.2	172.8	-179.2	168.3	0	105.9	E698 V702	E698-K700 PolarHBondContact O-N 3.45Å; K700-V702 PolarHBondContact O-N 3.49Å
701	P	45.1	Very low	72.9	Confident	113 Å²	113	97.9 Å²	97.9	73%	0.734	53%	0.532	S	S	*	.			trans	-46.7	122.1	-172.4	18.7	-32	0	0	0	106.7	K703	P701-K703 PolarHBondContact O-N 3.04Å
702	V	47.3	Very low	72.4	Confident	114 Å²	114	99.8 Å²	99.8	69%	0.691	55%	0.551	S	S	*	*			trans	-46.1	99.8	-179.7	176.3	0	0	0	0	105.7	K700 D704	K700-V702 PolarHBondContact O-N 3.49Å; V702-D704 VanDerWaalsContact C-N 3.35Å; V702-D704 PolarHBondContact O-N 2.87Å
703	K	54.6	Low	71.9	Confident	153 Å²	153	101.4 Å²	101.4	67%	0.665	57%	0.568	S	S	*	*			trans	-64.1	111.6	174.2	-80.2	-175.3	178	-176.9	0	101.6	P701 L708	P701-K703 PolarHBondContact O-N 3.04Å; K703-L708 HydrophobicContact CB-CD2 3.76Å; K703-L708 HydrophobicContact CB-CG 4.42Å; K703-L708 HydrophobicContact CD-CD2 4.01Å
704	D	69	Low	71.4	Confident	72 Å²	72	103.1 Å²	103.1	39%	0.385	59%	0.588	S	S	.	*			trans	-24.1	114.8	170.9	175.9	-4.2	0	0	0	108.4	V702 C706 K707	V702-D704 VanDerWaalsContact C-N 3.35Å; V702-D704 PolarHBondContact O-N 2.87Å; D704-C706 PolarHBondContact O-N 3.34Å; D704-C706 WeakPolarHBondContact OD1-CB 3.43Å; D704-C706 PolarHBondContact OD1-N 3.39Å; D704-C706 VanDerWaalsContact OD1-N 3.17Å; D704-K707 HydrophobicContact CB-CB 4.3Å; D704-K707 HydrophobicContact CB-CD 4.02Å; D704-K707 HydrophobicContact CB-CG 3.96Å; D704-K707 WeakPolarHBondContact O-CA 3.28Å; D704-K707 WeakPolarHBondContact O-CB 3.37Å; D704-K707 PolarHBondContact O-N 3.34Å; D704-K707 WeakPolarHBondContact OD2-CE 3.39Å
705	P	71	Confident	71.3	Confident	98 Å²	98	104 Å²	104	64%	0.636	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-52.9	-25.3	-172.5	-27.3	33.4	0	0	0	112.6	K707	P705-K707 VanDerWaalsContact C-N 3.27Å; P705-K707 PolarHBondContact O-N 2.8Å
706	C	78.9	Confident	71.1	Confident	54 Å²	54	110.6 Å²	110.6	37%	0.365	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-75.7	-7.7	176.4	-59.2	0	0	0	0	114.3	D704 Y724	D704-C706 PolarHBondContact O-N 3.34Å; D704-C706 WeakPolarHBondContact OD1-CB 3.43Å; D704-C706 PolarHBondContact OD1-N 3.39Å; D704-C706 VanDerWaalsContact OD1-N 3.17Å; C706-Y724 HydrophobicContact CB-CD1 3.9Å; C706-Y724 HydrophobicContact CB-CG 3.93Å; C706-Y724 WeakPolarHBondContact O-CD1 3.35Å
707	K	75.7	Confident	70.7	Confident	137 Å²	137	112.3 Å²	112.3	60%	0.596	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-109.8	6.3	178.5	-61.3	-172.9	-176.6	-179.6	0	113.3	D704 P705	D704-K707 HydrophobicContact CB-CB 4.3Å; D704-K707 HydrophobicContact CB-CD 4.02Å; D704-K707 HydrophobicContact CB-CG 3.96Å; D704-K707 WeakPolarHBondContact O-CA 3.28Å; D704-K707 WeakPolarHBondContact O-CB 3.37Å; D704-K707 PolarHBondContact O-N 3.34Å; D704-K707 WeakPolarHBondContact OD2-CE 3.39Å; P705-K707 VanDerWaalsContact C-N 3.27Å; P705-K707 PolarHBondContact O-N 2.8Å
708	L	75.1	Confident	71.1	Confident	84 Å²	84	119.7 Å²	119.7	44%	0.44	65%	0.651	S	S	.	*	S	Bend	trans	-84.3	141.7	172.7	-65.8	176.7	0	0	0	110.1	K703	K703-L708 HydrophobicContact CB-CD2 3.76Å; K703-L708 HydrophobicContact CB-CG 4.42Å; K703-L708 HydrophobicContact CD-CD2 4.01Å
709	P	79.5	Confident	72.1	Confident	106 Å²	106	121.1 Å²	121.1	69%	0.688	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-65.6	151.5	172.9	29.2	-34.2	0	0	0	110.6	D711	P709-D711 PolarHBondContact O-N 3.35Å
710	A	83.7	Confident	73.8	Confident	55 Å²	55	119.1 Å²	119.1	46%	0.455	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-61.4	119.6	174.8	0	0	0	0	0	111.1	Y723	A710-Y723 HydrophobicContact CB-CD1 3.75Å; A710-Y723 HydrophobicContact CB-CD2 3.83Å; A710-Y723 HydrophobicContact CB-CE1 3.95Å; A710-Y723 HydrophobicContact CB-CE2 4Å; A710-Y723 HydrophobicContact CB-CG 3.69Å
711	D	82.1	Confident	75.7	Confident	139 Å²	139	120.4 Å²	120.4	74%	0.743	66%	0.656	S	S	*	*			trans	-105.9	116.1	176.3	-174.9	2.3	0	0	0	110.9	P709 G713	P709-D711 PolarHBondContact O-N 3.35Å; D711-G713 PolarHBondContact O-N 3.43Å; D711-G713 PolarHBondContact OD1-N 2.9Å
712	P	80	Confident	77.5	Confident	124 Å²	124	125.8 Å²	125.8	81%	0.805	66%	0.663	S	S	*	*			trans	-73.6	-10.1	176	29.6	-33.8	0	0	0	114.1
713	G	82.2	Confident	79.3	Confident	34 Å²	34	127.6 Å²	127.6	35%	0.351	66%	0.659	S	S	.	*			trans	68.6	177.5	-176.3	0	0	0	0	0	114.1	D711 C715	D711-G713 PolarHBondContact O-N 3.43Å; D711-G713 PolarHBondContact OD1-N 2.9Å; G713-C715 PolarHBondContact O-N 3Å
714	P	80.6	Confident	80.6	Confident	135 Å²	135	127.7 Å²	127.7	88%	0.877	66%	0.656	S	S	*	*	S	Bend	trans	-81.8	-9.2	-171.6	31.4	-35.8	0	0	0	114.7
715	C	82.2	Confident	81.3	Confident	103 Å²	103	129 Å²	129	70%	0.696	66%	0.663	S	S	*	*			trans	-88.9	143.6	-173.2	-66.5	0	0	0	0	112	G713 G717	G713-C715 PolarHBondContact O-N 3Å; C715-G717 VanDerWaalsContact C-N 3.29Å; C715-G717 PolarHBondContact O-N 3.17Å
716	R	83	Confident	81.5	Confident	254 Å²	254	131.8 Å²	131.8	96%	0.958	66%	0.661	S	S	*	*			trans	-81.1	2.3	-177.3	-65.1	-177.1	-178.6	174.4	0.9	115.2
717	G	80.7	Confident	81	Confident	46 Å²	46	138.1 Å²	138.1	47%	0.474	69%	0.691	S	S	.	*			trans	-74.1	139.8	-178.3	0	0	0	0	0	112.1	C715	C715-G717 VanDerWaalsContact C-N 3.29Å; C715-G717 PolarHBondContact O-N 3.17Å
718	K	83.6	Confident	81.2	Confident	210 Å²	210	138.2 Å²	138.2	91%	0.913	70%	0.696	S	S	*	*			trans	-100.1	107.5	175.4	-68.7	-173.8	179	-176.5	0	110.1
719	F	84.2	Confident	81.6	Confident	162 Å²	162	141 Å²	141	71%	0.711	71%	0.709	S	S	*	*			trans	-123.1	133.5	176.4	-55.3	-79.1	0	0	0	109.8	R721	F719-R721 PolarHBondContact O-N 3.38Å
720	P	86.3	Confident	81.7	Confident	120 Å²	120	142.9 Å²	142.9	78%	0.779	71%	0.71	S	S	*	*			trans	-65.9	126.5	172.8	25.7	-30.7	0	0	0	110.2
721	R	84.6	Confident	81.6	Confident	216 Å²	216	148.1 Å²	148.1	82%	0.815	73%	0.726	S	S	*	*			trans	-141.6	163.2	177.6	-67.1	-68.7	-171.7	131.3	0.7	108.7	F719	F719-R721 PolarHBondContact O-N 3.38Å
722	Y	83.4	Confident	81.5	Confident	226 Å²	226	148.7 Å²	148.7	89%	0.886	72%	0.724	S	S	*	*			trans	-121.4	147.3	-178.4	-55.3	-86.4	0	0	0	110
723	Y	85.3	Confident	81.6	Confident	151 Å²	151	150.3 Å²	150.3	59%	0.592	72%	0.719	S	S	*	*			trans	-136.6	162.6	172	70.3	-80	0	0	0	109	A710 D725	A710-Y723 HydrophobicContact CB-CD1 3.75Å; A710-Y723 HydrophobicContact CB-CD2 3.83Å; A710-Y723 HydrophobicContact CB-CE1 3.95Å; A710-Y723 HydrophobicContact CB-CE2 4Å; A710-Y723 HydrophobicContact CB-CG 3.69Å; Y723-D725 HydrophobicContact CE2-CB 4.4Å
724	Y	82	Confident	81.6	Confident	155 Å²	155	158.6 Å²	158.6	61%	0.608	75%	0.745	S	S	*	*			trans	-85.5	118.2	176.2	-168.3	-93.2	0	0	0	109.1	C706 W726	C706-Y724 HydrophobicContact CB-CD1 3.9Å; C706-Y724 HydrophobicContact CB-CG 3.93Å; C706-Y724 WeakPolarHBondContact O-CD1 3.35Å; Y724-W726 HydrophobicContact CD1-CB 4.24Å; Y724-W726 HydrophobicContact CE1-CB 4.29Å
725	D	82.9	Confident	81.7	Confident	100 Å²	100	160.5 Å²	160.5	54%	0.535	74%	0.735	S	S	.	*			trans	-85.3	120	173	-165.5	-5.5	0	0	0	108.4	Y723 D727	Y723-D725 HydrophobicContact CE2-CB 4.4Å; D725-D727 PolarHBondContact OD1-N 2.66Å
726	W	75.2	Confident	81.6	Confident	156 Å²	156	165.3 Å²	165.3	59%	0.591	74%	0.739	S	S	*	*			trans	-106.3	-2	-174.7	64.1	-92.9	0	0	0	113.3	Y724	Y724-W726 HydrophobicContact CD1-CB 4.24Å; Y724-W726 HydrophobicContact CE1-CB 4.29Å
727	D	68.1	Low	81.5	Confident	187 Å²	187	157.2 Å²	157.2	100%	1	72%	0.719	S	S	*	*			trans	-76.1	0	177.5	-82.1	-29.9	0	0	0	113.9	D725	D725-D727 PolarHBondContact OD1-N 2.66Å

Retrieved 727 of 727 residues in 1398.4 ms (Link to these results)

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