A0A096N133_PAPAN Loading...

Influenza virus NS1A binding protein

AlphaFold DB , UniProt , Accession A0A096N133, Species PAPAN (Papio anubis, Olive baboon), Gene IVNS1ABP, Length 642 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.1	Very low	71.1	Confident	239 Å²	239	138.8 Å²	138.8	100%	1.177	72%	0.722	S	S	*	*				0	113.1	0	-94.4	-178.2	-90.9	0	0	107	P3	M1-P3 WeakPolarHBondContact O-CD 3.37Å
2	I	49.3	Very low	72.7	Confident	139 Å²	139	142.1 Å²	142.1	71%	0.713	73%	0.731	S	S	*	*			trans	-84.3	108.4	176.1	-56.7	168.2	0	0	0	105.7	N4	I2-N4 PolarHBondContact O-N 3.19Å
3	P	51.3	Low	74.1	Confident	113 Å²	113	139.5 Å²	139.5	73%	0.734	72%	0.72	S	S	*	*	S	Bend	trans	-78	108.4	171.6	4.5	15.3	0	0	0	106.1	M1	M1-P3 WeakPolarHBondContact O-CD 3.37Å
4	N	57.9	Low	75.4	Confident	127 Å²	127	138.7 Å²	138.7	68%	0.679	71%	0.709	S	S	*	*	S	Bend	trans	95	7.2	169.7	-52.1	-20.4	0	0	0	120.4	I2 Y6	I2-N4 PolarHBondContact O-N 3.19Å; N4-Y6 HydrophobicContact CB-CE1 4.07Å; N4-Y6 WeakPolarHBondContact O-CD1 3.13Å; N4-Y6 WeakPolarHBondContact O-CE1 3.35Å; N4-Y6 PolarHBondContact O-N 2.9Å
5	G	71.8	Confident	76.2	Confident	68 Å²	68	137.9 Å²	137.9	70%	0.701	71%	0.705	S	S	*	*	S	Bend	trans	72	16.7	158.3	0	0	0	0	0	118.5
6	Y	74.2	Confident	76.9	Confident	155 Å²	155	138.3 Å²	138.3	61%	0.608	70%	0.703	S	S	*	*			trans	-138.3	149.4	169.1	42.1	-91.9	0	0	0	112.3	N4 M8	N4-Y6 HydrophobicContact CB-CE1 4.07Å; N4-Y6 WeakPolarHBondContact O-CD1 3.13Å; N4-Y6 WeakPolarHBondContact O-CE1 3.35Å; N4-Y6 PolarHBondContact O-N 2.9Å; Y6-M8 HydrophobicContact CD2-CG 3.75Å; Y6-M8 HydrophobicContact CD2-SD 3.82Å; Y6-M8 HydrophobicContact CE2-CG 3.94Å; Y6-M8 HydrophobicContact CE2-SD 4.04Å
7	L	83	Confident	77.7	Confident	164 Å²	164	133.3 Å²	133.3	86%	0.859	68%	0.683	S	S	*	*			trans	-84.1	113.6	173.7	176.7	67.7	0	0	0	108.9
8	M	81.1	Confident	78.4	Confident	132 Å²	132	127.9 Å²	127.9	65%	0.65	66%	0.659	S	S	*	*			trans	-98	127.9	168.6	-65.3	-63.9	-68.9	0	0	108.9	Y6	Y6-M8 HydrophobicContact CD2-CG 3.75Å; Y6-M8 HydrophobicContact CD2-SD 3.82Å; Y6-M8 HydrophobicContact CE2-CG 3.94Å; Y6-M8 HydrophobicContact CE2-SD 4.04Å
9	F	89.2	Confident	79	Confident	162 Å²	162	123.6 Å²	123.6	71%	0.711	64%	0.64	S	S	*	*			trans	-130.7	122.9	171.1	170.1	-110.2	0	0	0	108.4	D11	F9-D11 HydrophobicContact CE1-CB 3.7Å; F9-D11 HydrophobicContact CZ-CB 3.78Å
10	E	89.1	Confident	79.5	Confident	155 Å²	155	120.3 Å²	120.3	72%	0.724	63%	0.631	S	S	*	*			trans	-112	114.1	175.6	-68.9	179.7	-174.4	0	0	107.9	E12	E10-E12 PolarHBondContact O-N 2.6Å
11	D	91.6	Very high	80.2	Confident	73 Å²	73	120.8 Å²	120.8	39%	0.39	63%	0.628	S	S	.	*			trans	-89.9	97.7	174.1	-176.1	-4.4	0	0	0	109.4	F9 N13 F14	F9-D11 HydrophobicContact CE1-CB 3.7Å; F9-D11 HydrophobicContact CZ-CB 3.78Å; D11-N13 PolarHBondContact O-N 3.19Å; D11-N13 VanDerWaalsContact O-N 3.14Å; D11-N13 PolarHBondContact OD1-N 3.05Å; D11-F14 HydrophobicContact CB-CB 3.89Å; D11-F14 WeakPolarHBondContact O-CB 3.33Å; D11-F14 PolarHBondContact O-N 2.85Å; D11-F14 PolarHBondContact OD1-N 3.5Å
12	E	90.3	Very high	82.6	Confident	178 Å²	178	112.5 Å²	112.5	83%	0.832	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-24	-179.8	-62.4	-177.3	174.4	0	0	112.8	E10	E10-E12 PolarHBondContact O-N 2.6Å
13	N	91	Very high	84.7	Confident	108 Å²	108	106.8 Å²	106.8	58%	0.578	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-12	-177.4	-60.6	-58.9	0	0	0	113.5	D11 I15 E16 S17	D11-N13 PolarHBondContact O-N 3.19Å; D11-N13 VanDerWaalsContact O-N 3.14Å; D11-N13 PolarHBondContact OD1-N 3.05Å; N13-I15 VanDerWaalsContact C-N 3.32Å; N13-I15 PolarHBondContact O-N 3.24Å; N13-E16 PolarHBondContact O-N 3.05Å; N13-S17 WeakPolarHBondContact O-CB 3.49Å; N13-S17 PolarHBondContact O-N 2.82Å
14	F	91.8	Very high	86.7	Confident	129 Å²	129	104.3 Å²	104.3	57%	0.566	55%	0.548	S	S	*	.	H	α-helix	trans	-60.3	-42.4	-173.2	179.8	-101.5	0	0	0	112.3	D11 S18	D11-F14 HydrophobicContact CB-CB 3.89Å; D11-F14 WeakPolarHBondContact O-CB 3.33Å; D11-F14 PolarHBondContact O-N 2.85Å; D11-F14 PolarHBondContact OD1-N 3.5Å; F14-S18 WeakPolarHBondContact O-CB 3.37Å; F14-S18 PolarHBondContact O-N 2.82Å; F14-S18 PolarHBondContact O-OG 3.39Å
15	I	87.6	Confident	88.5	Confident	127 Å²	127	100.4 Å²	100.4	65%	0.651	53%	0.527	S	S	*	.	H	α-helix	trans	-65.5	-49.5	-178.9	-63.9	175.3	0	0	0	110.3	N13 S17 S18 V19	N13-I15 VanDerWaalsContact C-N 3.32Å; N13-I15 PolarHBondContact O-N 3.24Å; I15-S17 PolarHBondContact O-N 3.31Å; I15-S18 PolarHBondContact O-N 2.87Å; I15-V19 HydrophobicContact CG2-CG2 4.42Å; I15-V19 WeakPolarHBondContact O-CB 3.45Å; I15-V19 VanDerWaalsContact O-CG2 3.3Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 3.16Å
16	E	86.9	Confident	89.6	Confident	143 Å²	143	98.3 Å²	98.3	67%	0.668	50%	0.498	S	S	*	.	H	α-helix	trans	-61.6	-46.4	179.7	-172.5	177.6	-177	0	0	111.4	N13 S18 V19 A20	N13-E16 PolarHBondContact O-N 3.05Å; E16-S18 VanDerWaalsContact C-N 3.34Å; E16-S18 PolarHBondContact O-N 2.99Å; E16-V19 PolarHBondContact O-N 3Å; E16-A20 WeakPolarHBondContact O-CB 3.37Å; E16-A20 PolarHBondContact O-N 2.66Å
17	S	89.9	Confident	90.5	Very high	54 Å²	54	98.2 Å²	98.2	38%	0.378	50%	0.501	S	S	.	.	H	α-helix	trans	-61.8	-40.6	177.3	-170.4	0	0	0	0	112.4	N13 I15 K21	N13-S17 WeakPolarHBondContact O-CB 3.49Å; N13-S17 PolarHBondContact O-N 2.82Å; I15-S17 PolarHBondContact O-N 3.31Å; S17-K21 VanDerWaalsContact O-CG 3.28Å; S17-K21 WeakPolarHBondContact O-CG 3.16Å; S17-K21 PolarHBondContact O-N 3.31Å
18	S	90.6	Very high	90.9	Very high	36 Å²	36	93.7 Å²	93.7	25%	0.252	48%	0.483	S	S	.	.	H	α-helix	trans	-68.1	-45.6	-179.9	-63.2	0	0	0	0	111.7	F14 I15 E16 K21 L22	F14-S18 WeakPolarHBondContact O-CB 3.37Å; F14-S18 PolarHBondContact O-N 2.82Å; F14-S18 PolarHBondContact O-OG 3.39Å; I15-S18 PolarHBondContact O-N 2.87Å; E16-S18 VanDerWaalsContact C-N 3.34Å; E16-S18 PolarHBondContact O-N 2.99Å; S18-K21 PolarHBondContact O-N 3.39Å; S18-L22 WeakPolarHBondContact O-CG 3.37Å; S18-L22 PolarHBondContact O-N 3.19Å
19	V	89.9	Confident	91.5	Very high	47 Å²	47	89 Å²	89	29%	0.285	47%	0.468	S	S	.	.	H	α-helix	trans	-64.4	-40.5	177.4	172	0	0	0	0	111	I15 E16 K21 L22 N23 Y91	I15-V19 HydrophobicContact CG2-CG2 4.42Å; I15-V19 WeakPolarHBondContact O-CB 3.45Å; I15-V19 VanDerWaalsContact O-CG2 3.3Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 3.16Å; E16-V19 PolarHBondContact O-N 3Å; V19-K21 PolarHBondContact O-N 2.99Å; V19-L22 PolarHBondContact O-N 3.02Å; V19-N23 PolarHBondContact O-N 3.48Å; V19-Y91 VanDerWaalsContact CG1-C 3.47Å; V19-Y91 WeakPolarHBondContact CG1-O 3.43Å
20	A	89.9	Confident	91.6	Very high	57 Å²	57	86.2 Å²	86.2	47%	0.471	46%	0.458	S	S	.	.	H	α-helix	trans	-61.4	-41.9	174.3	0	0	0	0	0	112.7	E16 N23 A24	E16-A20 WeakPolarHBondContact O-CB 3.37Å; E16-A20 PolarHBondContact O-N 2.66Å; A20-N23 WeakPolarHBondContact O-CB 3.47Å; A20-N23 PolarHBondContact O-N 3.23Å; A20-A24 PolarHBondContact O-N 3.08Å
21	K	93.3	Very high	91.7	Very high	131 Å²	131	86.6 Å²	86.6	57%	0.57	46%	0.457	S	S	*	.	H	α-helix	trans	-65.2	-42.5	174.8	-72.6	168.2	-173	167.8	0	111.9	S17 S18 V19 N23 A24 L25	S17-K21 VanDerWaalsContact O-CG 3.28Å; S17-K21 WeakPolarHBondContact O-CG 3.16Å; S17-K21 PolarHBondContact O-N 3.31Å; S18-K21 PolarHBondContact O-N 3.39Å; V19-K21 PolarHBondContact O-N 2.99Å; K21-N23 VanDerWaalsContact C-N 3.27Å; K21-N23 PolarHBondContact O-N 3.1Å; K21-A24 WeakPolarHBondContact O-CB 3.43Å; K21-A24 PolarHBondContact O-N 2.88Å; K21-A24 VanDerWaalsContact O-N 3.13Å; K21-L25 WeakPolarHBondContact O-CG 3.43Å; K21-L25 PolarHBondContact O-N 3.43Å
22	L	94.2	Very high	91.8	Very high	65 Å²	65	84 Å²	84	34%	0.34	44%	0.444	S	S	.	.	H	α-helix	trans	-59.6	-38.6	174.1	-72.8	171	0	0	0	111.9	S18 V19 L25 R26 V49 Y91	S18-L22 WeakPolarHBondContact O-CG 3.37Å; S18-L22 PolarHBondContact O-N 3.19Å; V19-L22 PolarHBondContact O-N 3.02Å; L22-L25 PolarHBondContact O-N 2.91Å; L22-R26 PolarHBondContact O-N 2.94Å; L22-V49 HydrophobicContact CD1-CG2 4.33Å; L22-Y91 HydrophobicContact CB-CD1 4.08Å; L22-Y91 HydrophobicContact CB-CE1 4.17Å
23	N	93.9	Very high	91.9	Very high	19 Å²	19	78.3 Å²	78.3	10%	0.102	42%	0.42	C	S	.	.	H	α-helix	trans	-65.4	-39.9	174.7	-162.6	17.4	0	0	0	112.1	V19 A20 K21 R26 K27 Y91 T92	V19-N23 PolarHBondContact O-N 3.48Å; A20-N23 WeakPolarHBondContact O-CB 3.47Å; A20-N23 PolarHBondContact O-N 3.23Å; K21-N23 VanDerWaalsContact C-N 3.27Å; K21-N23 PolarHBondContact O-N 3.1Å; N23-R26 PolarHBondContact O-N 2.75Å; N23-R26 PolarHBondContact OD1-NE 2.86Å; N23-R26 PolarHBondContact OD1-NH2 2.9Å; N23-K27 WeakPolarHBondContact O-CG 3.05Å; N23-K27 PolarHBondContact O-N 3.33Å; N23-Y91 HydrophobicContact CB-CD1 4.31Å; N23-Y91 HydrophobicContact CB-CG 4.44Å; N23-T92 WeakPolarHBondContact ND2-CG2 3.19Å
24	A	93.6	Very high	92	Very high	60 Å²	60	73.1 Å²	73.1	50%	0.496	39%	0.392	S	S	.	.	H	α-helix	trans	-63.7	-43.2	176	0	0	0	0	0	111.8	A20 K21 R26 K27 S28	A20-A24 PolarHBondContact O-N 3.08Å; K21-A24 WeakPolarHBondContact O-CB 3.43Å; K21-A24 PolarHBondContact O-N 2.88Å; K21-A24 VanDerWaalsContact O-N 3.13Å; A24-R26 VanDerWaalsContact C-N 3.34Å; A24-R26 PolarHBondContact O-N 2.84Å; A24-K27 PolarHBondContact O-N 2.78Å; A24-S28 PolarHBondContact O-N 3.45Å; A24-S28 PolarHBondContact O-OG 3.03Å
25	L	95.2	Very high	92.1	Very high	46 Å²	46	70.6 Å²	70.6	24%	0.241	38%	0.379	C	S	.	.	H	α-helix	trans	-60.2	-42.8	174	-67.8	173.2	0	0	0	111.6	K21 L22 K27 S28 G29 Q30 F31	K21-L25 WeakPolarHBondContact O-CG 3.43Å; K21-L25 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 2.91Å; L25-K27 PolarHBondContact O-N 2.78Å; L25-S28 PolarHBondContact O-N 3.3Å; L25-S28 PolarHBondContact O-OG 2.97Å; L25-G29 PolarHBondContact O-N 3.01Å; L25-G29 VanDerWaalsContact O-N 3.11Å; L25-Q30 HydrophobicContact CB-CB 4.5Å; L25-Q30 HydrophobicContact CD2-CB 4Å; L25-Q30 VanDerWaalsContact CD2-OE1 3.23Å; L25-Q30 PolarHBondContact O-N 2.81Å; L25-F31 HydrophobicContact CD1-CD2 4.24Å; L25-F31 HydrophobicContact CD2-CD2 4.15Å; L25-F31 HydrophobicContact CD2-CE2 4.2Å
26	R	95.1	Very high	92.4	Very high	23 Å²	23	64.7 Å²	64.7	9%	0.087	35%	0.348	C	S	.	.	H	α-helix	trans	-59.1	-49.1	175.4	-179.5	-171.6	66.1	112.5	-3.3	111.2	L22 N23 A24 S28 G29 L44 N88 Y91	L22-R26 PolarHBondContact O-N 2.94Å; N23-R26 PolarHBondContact O-N 2.75Å; N23-R26 PolarHBondContact OD1-NE 2.86Å; N23-R26 PolarHBondContact OD1-NH2 2.9Å; A24-R26 VanDerWaalsContact C-N 3.34Å; A24-R26 PolarHBondContact O-N 2.84Å; R26-S28 VanDerWaalsContact C-N 3.25Å; R26-S28 PolarHBondContact O-N 3.45Å; R26-G29 PolarHBondContact O-N 3.01Å; R26-L44 VanDerWaalsContact CG-O 3.3Å; R26-L44 WeakPolarHBondContact CG-O 3.48Å; R26-N88 PolarHBondContact NH2-OD1 3.15Å; R26-Y91 HydrophobicContact CB-CE1 4.13Å; R26-Y91 VanDerWaalsContact CD-CE2 3.47Å
27	K	92.4	Very high	92.8	Very high	153 Å²	153	60 Å²	60	67%	0.665	33%	0.326	S	S	*	.	H	α-helix	trans	-64.5	-28.2	-178.4	-73.4	-176.2	177.8	-170.7	0	113.1	N23 A24 L25 G29	N23-K27 WeakPolarHBondContact O-CG 3.05Å; N23-K27 PolarHBondContact O-N 3.33Å; A24-K27 PolarHBondContact O-N 2.78Å; L25-K27 PolarHBondContact O-N 2.78Å; K27-G29 VanDerWaalsContact C-N 3.34Å
28	S	93.4	Very high	93	Very high	69 Å²	69	57.4 Å²	57.4	48%	0.483	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.8	173.2	63.8	0	0	0	0	113.7	A24 L25 R26 Q30	A24-S28 PolarHBondContact O-N 3.45Å; A24-S28 PolarHBondContact O-OG 3.03Å; L25-S28 PolarHBondContact O-N 3.3Å; L25-S28 PolarHBondContact O-OG 2.97Å; R26-S28 VanDerWaalsContact C-N 3.25Å; R26-S28 PolarHBondContact O-N 3.45Å; S28-Q30 PolarHBondContact O-N 2.82Å; S28-Q30 WeakPolarHBondContact OG-CG 3.41Å
29	G	91.8	Very high	93	Very high	34 Å²	34	58.6 Å²	58.6	35%	0.351	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	12.4	-177	0	0	0	0	0	114.2	L25 R26 K27	L25-G29 PolarHBondContact O-N 3.01Å; L25-G29 VanDerWaalsContact O-N 3.11Å; R26-G29 PolarHBondContact O-N 3.01Å; K27-G29 VanDerWaalsContact C-N 3.34Å
30	Q	92.4	Very high	92.8	Very high	103 Å²	103	58.8 Å²	58.8	48%	0.481	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	133.6	-178.4	-71.4	-178.5	-19	0	0	110.7	L25 S28 C32 H46	L25-Q30 HydrophobicContact CB-CB 4.5Å; L25-Q30 HydrophobicContact CD2-CB 4Å; L25-Q30 VanDerWaalsContact CD2-OE1 3.23Å; L25-Q30 PolarHBondContact O-N 2.81Å; S28-Q30 PolarHBondContact O-N 2.82Å; S28-Q30 WeakPolarHBondContact OG-CG 3.41Å; Q30-C32 PolarHBondContact O-N 2.93Å; Q30-H46 PolarHBondContact O-NE2 2.62Å; Q30-H46 VanDerWaalsContact O-NE2 3.11Å
31	F	91.9	Very high	92.9	Very high	164 Å²	164	61.5 Å²	61.5	72%	0.719	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	11	-179.9	-48.7	-69.9	0	0	0	115.4	L25 D33 H46	L25-F31 HydrophobicContact CD1-CD2 4.24Å; L25-F31 HydrophobicContact CD2-CD2 4.15Å; L25-F31 HydrophobicContact CD2-CE2 4.2Å; F31-D33 PolarHBondContact O-N 3.43Å; F31-H46 PolarHBondContact O-CD2 3.35Å
32	C	93.3	Very high	92.9	Very high	17 Å²	17	60.5 Å²	60.5	12%	0.115	33%	0.328	C	S	.	.			trans	-67.5	118.2	172.3	-67.8	0	0	0	0	110.1	Q30 L44 A45	Q30-C32 PolarHBondContact O-N 2.93Å; C32-L44 HydrophobicContact CB-CB 3.89Å; C32-A45 CarbonylContact C-O 3.6Å; C32-A45 WeakPolarHBondContact CA-O 3.32Å; C32-A45 WeakPolarHBondContact CB-O 3.44Å
33	D	92.3	Very high	92.9	Very high	59 Å²	59	58.6 Å²	58.6	32%	0.316	32%	0.317	S	S	.	.			trans	-114.6	7.2	-176	60.3	-13.3	0	0	0	112.1	F31 A45 H46 R47 I70 S71	F31-D33 PolarHBondContact O-N 3.43Å; D33-A45 PolarHBondContact N-O 3.48Å; D33-H46 WeakPolarHBondContact OD1-CA 3.44Å; D33-R47 WeakPolarHBondContact OD1-CG 3.45Å; D33-R47 PolarHBondContact OD1-N 3.31Å; D33-I70 WeakPolarHBondContact O-CA 3.43Å; D33-S71 PolarHBondContact O-N 2.83Å
34	V	92.8	Very high	92.9	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.2	169.3	55.6	0	0	0	0	111.8	L36 A45 R47 L50 F61 S71 V73	V34-L36 HydrophobicContact CG2-CD2 3.87Å; V34-A45 VanDerWaalsContact CG1-C 3.45Å; V34-A45 HydrophobicContact CG1-CB 3.94Å; V34-A45 WeakPolarHBondContact CG1-O 3.32Å; V34-A45 PolarHBondContact N-O 2.83Å; V34-A45 PolarHBondContact O-N 2.83Å; V34-R47 HydrophobicContact CB-CG 3.68Å; V34-R47 HydrophobicContact CG1-CG 3.91Å; V34-L50 HydrophobicContact CG1-CD1 4.14Å; V34-F61 HydrophobicContact CB-CE1 4.29Å; V34-F61 HydrophobicContact CB-CZ 4.32Å; V34-F61 HydrophobicContact CG1-CZ 4.33Å; V34-F61 HydrophobicContact CG2-CE1 3.65Å; V34-F61 HydrophobicContact CG2-CZ 3.83Å; V34-S71 CarbonylContact C-O 3.59Å; V34-S71 VanDerWaalsContact CA-O 3.31Å; V34-S71 WeakPolarHBondContact CA-O 3.45Å; V34-S71 WeakPolarHBondContact CG2-O 3.37Å; V34-V73 HydrophobicContact CG2-CG2 4.39Å
35	R	93	Very high	93	Very high	76 Å²	76	58.2 Å²	58.2	29%	0.287	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.4	169.1	-170.3	-179.3	-51	169.2	4.2	109.8	E42 M43 L44 I70 S71 V73	R35-E42 VanDerWaalsContact CD-CD 3.45Å; R35-E42 WeakPolarHBondContact CD-OE1 3.4Å; R35-E42 HydrophobicContact CG-CB 4.34Å; R35-E42 IonicContact CZ-OE1 3.72Å; R35-E42 IonicContact NE-OE1 3Å; R35-E42 IonicContact NH1-OE1 2.68Å; R35-E42 PolarHBondContact NH1-OE1 3.01Å; R35-E42 IonicContact NH1-OE2 3.25Å; R35-M43 WeakPolarHBondContact CA-O 3.41Å; R35-L44 HydrophobicContact CB-CD2 4.27Å; R35-L44 HydrophobicContact CG-CD2 4.21Å; R35-I70 HydrophobicContact CB-CG2 4Å; R35-S71 PolarHBondContact N-O 2.87Å; R35-V73 PolarHBondContact O-N 3.45Å
36	L	94.5	Very high	93	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.6	168.5	-53.5	-174.4	0	0	0	108.6	V34 M43 L50 L57 V73 F75 V83 L87	V34-L36 HydrophobicContact CG2-CD2 3.87Å; L36-M43 HydrophobicContact CB-CB 4.38Å; L36-M43 PolarHBondContact N-O 2.89Å; L36-M43 PolarHBondContact O-N 2.85Å; L36-L50 HydrophobicContact CD1-CD1 3.9Å; L36-L50 HydrophobicContact CD2-CD1 4.43Å; L36-L50 HydrophobicContact CG-CD1 4.33Å; L36-L57 HydrophobicContact CD2-CD2 4.43Å; L36-V73 CarbonylContact C-O 3.59Å; L36-V73 WeakPolarHBondContact CA-O 3.38Å; L36-V73 HydrophobicContact CD2-CB 3.79Å; L36-V73 HydrophobicContact CD2-CG1 4.42Å; L36-V73 HydrophobicContact CD2-CG2 4.29Å; L36-F75 HydrophobicContact CD2-CE2 4.36Å; L36-V83 HydrophobicContact CD1-CG1 4.33Å; L36-L87 HydrophobicContact CD1-CD1 4.4Å; L36-L87 HydrophobicContact CD1-CD2 3.94Å
37	Q	94.9	Very high	92.9	Very high	44 Å²	44	57.8 Å²	57.8	21%	0.206	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.6	173.4	-173.3	179.1	42.2	0	0	109	H41 H72 V73 K74 F75	Q37-H41 CarbonylContact C-O 3.54Å; Q37-H41 WeakPolarHBondContact CA-O 3.06Å; Q37-H72 PolarHBondContact OE1-CE1 2.84Å; Q37-H72 VanDerWaalsContact OE1-CE1 3.27Å; Q37-V73 PolarHBondContact N-O 3.03Å; Q37-K74 HydrophobicContact CB-CG 4.33Å; Q37-K74 HydrophobicContact CG-CG 4.5Å; Q37-K74 CarbonylContact O-C 3.57Å; Q37-K74 WeakPolarHBondContact O-CA 3.34Å; Q37-F75 PolarHBondContact O-N 2.79Å
38	V	95.3	Very high	92.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.4	-177.9	-173.2	0	0	0	0	109.2	G40 H41 F75 L78 P80 V83	V38-G40 PolarHBondContact O-N 3.5Å; V38-G40 VanDerWaalsContact O-N 3.08Å; V38-H41 PolarHBondContact N-O 2.82Å; V38-H41 WeakPolarHBondContact O-CB 3.33Å; V38-H41 PolarHBondContact O-N 3.34Å; V38-H41 PolarHBondContact O-ND1 2.92Å; V38-F75 CarbonylContact C-O 3.5Å; V38-F75 VanDerWaalsContact CA-O 3.3Å; V38-F75 WeakPolarHBondContact CA-O 3.47Å; V38-F75 HydrophobicContact CG1-CB 4.47Å; V38-F75 HydrophobicContact CG2-CB 4.36Å; V38-F75 HydrophobicContact CG2-CD2 4.2Å; V38-L78 HydrophobicContact CG1-CB 3.86Å; V38-L78 WeakPolarHBondContact CG1-O 3.48Å; V38-P80 HydrophobicContact CB-CB 4.48Å; V38-P80 HydrophobicContact CB-CG 4.47Å; V38-P80 HydrophobicContact CG1-CB 4.32Å; V38-P80 HydrophobicContact CG1-CG 4.07Å; V38-V83 HydrophobicContact CG1-CG2 4.12Å; V38-V83 HydrophobicContact CG2-CB 4.14Å; V38-V83 HydrophobicContact CG2-CG1 4.01Å; V38-V83 HydrophobicContact CG2-CG2 4.01Å
39	C	90	Very high	93	Very high	61 Å²	61	51.7 Å²	51.7	41%	0.412	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	43.1	-177.3	-65.6	0	0	0	0	112.8	H41 F75 D76 L78 P80	C39-H41 VanDerWaalsContact C-N 3.31Å; C39-H41 PolarHBondContact O-N 3.24Å; C39-H41 PolarHBondContact O-ND1 3.37Å; C39-F75 PolarHBondContact N-O 2.87Å; C39-D76 PolarHBondContact SG-O 2.99Å; C39-D76 VanDerWaalsContact SG-O 3.4Å; C39-L78 PolarHBondContact SG-O 3.01Å; C39-P80 HydrophobicContact CB-CG 4.1Å
40	G	86.4	Confident	93.1	Very high	51 Å²	51	50.4 Å²	50.4	53%	0.526	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-9.4	-178.2	0	0	0	0	0	116.3	V38	V38-G40 PolarHBondContact O-N 3.5Å; V38-G40 VanDerWaalsContact O-N 3.08Å
41	H	91.8	Very high	93.2	Very high	114 Å²	114	46.6 Å²	46.6	53%	0.528	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	126	175.3	-62.8	71.6	0	0	0	110.2	Q37 V38 C39 P80	Q37-H41 CarbonylContact C-O 3.54Å; Q37-H41 WeakPolarHBondContact CA-O 3.06Å; V38-H41 PolarHBondContact N-O 2.82Å; V38-H41 WeakPolarHBondContact O-CB 3.33Å; V38-H41 PolarHBondContact O-N 3.34Å; V38-H41 PolarHBondContact O-ND1 2.92Å; C39-H41 VanDerWaalsContact C-N 3.31Å; C39-H41 PolarHBondContact O-N 3.24Å; C39-H41 PolarHBondContact O-ND1 3.37Å; H41-P80 HydrophobicContact CB-CB 4.07Å; H41-P80 HydrophobicContact CB-CG 4.34Å; H41-P80 WeakPolarHBondContact ND1-CG 3.49Å
42	E	93.2	Very high	93.2	Very high	111 Å²	111	44.2 Å²	44.2	52%	0.519	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.5	179	-64.8	-167.1	140.5	0	0	111.3	R35	R35-E42 VanDerWaalsContact CD-CD 3.45Å; R35-E42 WeakPolarHBondContact CD-OE1 3.4Å; R35-E42 HydrophobicContact CG-CB 4.34Å; R35-E42 IonicContact CZ-OE1 3.72Å; R35-E42 IonicContact NE-OE1 3Å; R35-E42 IonicContact NH1-OE1 2.68Å; R35-E42 PolarHBondContact NH1-OE1 3.01Å; R35-E42 IonicContact NH1-OE2 3.25Å
43	M	94.2	Very high	93.3	Very high	24 Å²	24	45.4 Å²	45.4	12%	0.118	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.7	179	-43.6	-172.9	85.8	0	0	109.7	R35 L36 V83 E84 L87	R35-M43 WeakPolarHBondContact CA-O 3.41Å; L36-M43 HydrophobicContact CB-CB 4.38Å; L36-M43 PolarHBondContact N-O 2.89Å; L36-M43 PolarHBondContact O-N 2.85Å; M43-V83 HydrophobicContact SD-CB 4.39Å; M43-V83 HydrophobicContact SD-CG1 4.05Å; M43-E84 HydrophobicContact CE-CB 3.46Å; M43-E84 VanDerWaalsContact CE-CB 3.46Å; M43-E84 HydrophobicContact CE-CG 3.6Å; M43-L87 HydrophobicContact CB-CD1 3.81Å; M43-L87 HydrophobicContact CE-CD1 3.68Å; M43-L87 HydrophobicContact CG-CD1 4.39Å; M43-L87 HydrophobicContact SD-CD1 3.66Å
44	L	94.4	Very high	93.5	Very high	71 Å²	71	42.7 Å²	42.7	37%	0.372	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138	177.4	-62.2	178.3	0	0	0	110.7	R26 C32 R35	R26-L44 VanDerWaalsContact CG-O 3.3Å; R26-L44 WeakPolarHBondContact CG-O 3.48Å; C32-L44 HydrophobicContact CB-CB 3.89Å; R35-L44 HydrophobicContact CB-CD2 4.27Å; R35-L44 HydrophobicContact CG-CD2 4.21Å
45	A	95.8	Very high	93.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	178.6	177.4	0	0	0	0	0	111.8	C32 D33 V34 L50 L87	C32-A45 CarbonylContact C-O 3.6Å; C32-A45 WeakPolarHBondContact CA-O 3.32Å; C32-A45 WeakPolarHBondContact CB-O 3.44Å; D33-A45 PolarHBondContact N-O 3.48Å; V34-A45 VanDerWaalsContact CG1-C 3.45Å; V34-A45 HydrophobicContact CG1-CB 3.94Å; V34-A45 WeakPolarHBondContact CG1-O 3.32Å; V34-A45 PolarHBondContact N-O 2.83Å; V34-A45 PolarHBondContact O-N 2.83Å; A45-L50 HydrophobicContact CB-CD1 3.62Å; A45-L50 HydrophobicContact CB-CD2 4.36Å; A45-L50 HydrophobicContact CB-CG 4Å; A45-L87 HydrophobicContact CB-CD2 4.33Å
46	H	94.5	Very high	93.7	Very high	18 Å²	18	45.2 Å²	45.2	8%	0.083	27%	0.268	C	S	.	.			trans	-104.4	126	175.7	-53.5	82.3	0	0	0	109.9	Q30 F31 D33 A48 V49 L50 Y91	Q30-H46 PolarHBondContact O-NE2 2.62Å; Q30-H46 VanDerWaalsContact O-NE2 3.11Å; F31-H46 PolarHBondContact O-CD2 3.35Å; D33-H46 WeakPolarHBondContact OD1-CA 3.44Å; H46-A48 VanDerWaalsContact C-N 3.3Å; H46-A48 PolarHBondContact O-N 2.92Å; H46-V49 HydrophobicContact CB-CB 4.4Å; H46-V49 HydrophobicContact CB-CG2 4.09Å; H46-V49 PolarHBondContact O-N 3.17Å; H46-L50 PolarHBondContact O-N 3.38Å; H46-L50 VanDerWaalsContact O-N 3.12Å; H46-Y91 VanDerWaalsContact CB-OH 3.24Å; H46-Y91 WeakPolarHBondContact CB-OH 3.34Å; H46-Y91 PolarHBondContact N-OH 3.16Å; H46-Y91 AromaticContact ND1-CE1 3.69Å; H46-Y91 AromaticContact ND1-CZ 3.68Å; H46-Y91 PolarHBondContact ND1-OH 3.4Å
47	R	92.6	Very high	93.7	Very high	42 Å²	42	45.3 Å²	45.3	16%	0.158	27%	0.268	C	S	.	.	H	α-helix	trans	-53.4	-48.1	-179.9	-71.4	171.5	71.4	178.4	3	110.8	D33 V34 V49 L50 A51 F61	D33-R47 WeakPolarHBondContact OD1-CG 3.45Å; D33-R47 PolarHBondContact OD1-N 3.31Å; V34-R47 HydrophobicContact CB-CG 3.68Å; V34-R47 HydrophobicContact CG1-CG 3.91Å; R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 PolarHBondContact O-N 2.88Å; R47-L50 PolarHBondContact O-N 3.4Å; R47-A51 WeakPolarHBondContact O-CB 3.37Å; R47-A51 PolarHBondContact O-N 2.89Å; R47-F61 HydrophobicContact CB-CD2 4Å; R47-F61 HydrophobicContact CB-CE2 4.15Å; R47-F61 HydrophobicContact CB-CG 4.4Å; R47-F61 HydrophobicContact CG-CD1 4.28Å; R47-F61 HydrophobicContact CG-CD2 4.23Å; R47-F61 HydrophobicContact CG-CE1 4.35Å; R47-F61 HydrophobicContact CG-CE2 4.3Å; R47-F61 HydrophobicContact CG-CG 4.24Å; R47-F61 HydrophobicContact CG-CZ 4.37Å; R47-F61 PolarHBondContact NH2-O 2.93Å
48	A	92.1	Very high	93.6	Very high	71 Å²	71	48.2 Å²	48.2	59%	0.587	28%	0.28	S	S	*	.	H	α-helix	trans	-57	-44.7	-178.4	0	0	0	0	0	112.4	H46 C52	H46-A48 VanDerWaalsContact C-N 3.3Å; H46-A48 PolarHBondContact O-N 2.92Å; A48-C52 PolarHBondContact O-N 2.87Å; A48-C52 PolarHBondContact O-SG 2.83Å
49	V	95	Very high	93.4	Very high	24 Å²	24	53 Å²	53	15%	0.145	30%	0.303	C	S	.	.	H	α-helix	trans	-67.7	-47.5	179.8	179.2	0	0	0	0	110.7	L22 H46 R47 A51 C52 C53 A90 Y91	L22-V49 HydrophobicContact CD1-CG2 4.33Å; H46-V49 HydrophobicContact CB-CB 4.4Å; H46-V49 HydrophobicContact CB-CG2 4.09Å; H46-V49 PolarHBondContact O-N 3.17Å; R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 PolarHBondContact O-N 2.88Å; V49-A51 VanDerWaalsContact C-N 3.34Å; V49-A51 PolarHBondContact O-N 2.7Å; V49-C52 PolarHBondContact O-N 3.07Å; V49-C53 PolarHBondContact O-N 3.46Å; V49-A90 HydrophobicContact CG1-CB 4.3Å; V49-Y91 HydrophobicContact CB-CE1 3.98Å; V49-Y91 HydrophobicContact CB-CE2 4.19Å; V49-Y91 WeakPolarHBondContact CB-OH 3.26Å; V49-Y91 HydrophobicContact CG1-CD1 4.11Å; V49-Y91 HydrophobicContact CG1-CD2 4.05Å; V49-Y91 HydrophobicContact CG1-CE1 3.76Å; V49-Y91 HydrophobicContact CG1-CE2 3.68Å; V49-Y91 HydrophobicContact CG1-CG 4.26Å; V49-Y91 HydrophobicContact CG2-CE1 3.75Å
50	L	94.8	Very high	93.4	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-66.1	-36.6	-179.6	-63	-166.4	0	0	0	112.7	V34 L36 A45 H46 R47 C52 C53 S54 L57 F61 L87 A90 Y91	V34-L50 HydrophobicContact CG1-CD1 4.14Å; L36-L50 HydrophobicContact CD1-CD1 3.9Å; L36-L50 HydrophobicContact CD2-CD1 4.43Å; L36-L50 HydrophobicContact CG-CD1 4.33Å; A45-L50 HydrophobicContact CB-CD1 3.62Å; A45-L50 HydrophobicContact CB-CD2 4.36Å; A45-L50 HydrophobicContact CB-CG 4Å; H46-L50 PolarHBondContact O-N 3.38Å; H46-L50 VanDerWaalsContact O-N 3.12Å; R47-L50 PolarHBondContact O-N 3.4Å; L50-C52 VanDerWaalsContact C-N 3.32Å; L50-C52 PolarHBondContact O-N 3.11Å; L50-C53 PolarHBondContact O-N 2.91Å; L50-C53 VanDerWaalsContact O-N 3.16Å; L50-S54 WeakPolarHBondContact O-CB 3.29Å; L50-S54 PolarHBondContact O-N 3.12Å; L50-L57 HydrophobicContact CB-CD1 3.94Å; L50-L57 HydrophobicContact CD1-CD1 4.02Å; L50-F61 HydrophobicContact CB-CE2 3.99Å; L50-F61 HydrophobicContact CB-CZ 4.38Å; L50-L87 HydrophobicContact CD1-CD2 3.89Å; L50-L87 HydrophobicContact CD2-CD2 3.4Å; L50-L87 VanDerWaalsContact CD2-CD2 3.4Å; L50-L87 HydrophobicContact CG-CD2 4.29Å; L50-A90 HydrophobicContact CD2-CB 4.25Å; L50-Y91 HydrophobicContact CD2-CE2 4.21Å
51	A	93.8	Very high	93.6	Very high	22 Å²	22	50.1 Å²	50.1	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-35.8	177.1	0	0	0	0	0	112.3	R47 V49 C53 F58 F61	R47-A51 WeakPolarHBondContact O-CB 3.37Å; R47-A51 PolarHBondContact O-N 2.89Å; V49-A51 VanDerWaalsContact C-N 3.34Å; V49-A51 PolarHBondContact O-N 2.7Å; A51-C53 VanDerWaalsContact C-N 3.29Å; A51-C53 PolarHBondContact O-N 3.38Å; A51-F58 HydrophobicContact CB-CB 4.14Å; A51-F58 HydrophobicContact CB-CD2 4.08Å; A51-F61 HydrophobicContact CB-CD2 4.07Å; A51-F61 HydrophobicContact CB-CE2 4.46Å
52	C	93.1	Very high	93.3	Very high	115 Å²	115	50 Å²	50	78%	0.777	27%	0.273	S	S	*	.	H	α-helix	trans	-66.8	-30.2	173.9	-70.3	0	0	0	0	112.8	A48 V49 L50	A48-C52 PolarHBondContact O-N 2.87Å; A48-C52 PolarHBondContact O-SG 2.83Å; V49-C52 PolarHBondContact O-N 3.07Å; L50-C52 VanDerWaalsContact C-N 3.32Å; L50-C52 PolarHBondContact O-N 3.11Å
53	C	94.1	Very high	92.8	Very high	42 Å²	42	49 Å²	49	28%	0.284	28%	0.279	S	S	.	.	H	α-helix	trans	-97.7	-22.4	-174.8	-62.5	0	0	0	0	113.9	V49 L50 A51 A90 M114	V49-C53 PolarHBondContact O-N 3.46Å; L50-C53 PolarHBondContact O-N 2.91Å; L50-C53 VanDerWaalsContact O-N 3.16Å; A51-C53 VanDerWaalsContact C-N 3.29Å; A51-C53 PolarHBondContact O-N 3.38Å; C53-A90 HydrophobicContact CB-CB 4.18Å; C53-M114 HydrophobicContact CB-CE 4.13Å
54	S	96.6	Very high	92	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	29%	0.288	C	S	.	.			trans	-132.3	107.8	-174.7	172.4	0	0	0	0	110.9	L50 Y56 L57 F58 L112	L50-S54 WeakPolarHBondContact O-CB 3.29Å; L50-S54 PolarHBondContact O-N 3.12Å; S54-Y56 PolarHBondContact O-N 2.87Å; S54-L57 PolarHBondContact O-N 2.85Å; S54-L57 WeakPolarHBondContact OG-CG 3.44Å; S54-L57 PolarHBondContact OG-N 2.94Å; S54-L57 VanDerWaalsContact OG-N 3.14Å; S54-F58 PolarHBondContact O-N 2.72Å; S54-L112 WeakPolarHBondContact CB-O 3.34Å; S54-L112 PolarHBondContact OG-O 2.71Å
55	P	95.9	Very high	90.5	Very high	62 Å²	62	52.9 Å²	52.9	40%	0.403	31%	0.31	S	S	.	.	H	α-helix	trans	-57.3	-33.6	172.4	-25.4	34.4	0	0	0	113	F58 E59 K113	P55-F58 PolarHBondContact O-N 2.96Å; P55-E59 WeakPolarHBondContact O-CG 3.48Å; P55-E59 PolarHBondContact O-N 3.5Å; P55-K113 HydrophobicContact CB-CB 4.19Å; P55-K113 HydrophobicContact CB-CD 4.2Å; P55-K113 VanDerWaalsContact CD-O 3.29Å; P55-K113 WeakPolarHBondContact CD-O 3.46Å; P55-K113 HydrophobicContact CG-CB 4.22Å
56	Y	95.1	Very high	89.1	Confident	68 Å²	68	57 Å²	57	27%	0.267	33%	0.332	S	S	.	.	H	α-helix	trans	-63.4	-47.4	176.7	178.6	-95.7	0	0	0	111.7	S54 E59 I60 F75 L112	S54-Y56 PolarHBondContact O-N 2.87Å; Y56-E59 PolarHBondContact O-N 3.09Å; Y56-I60 HydrophobicContact CD1-CD1 3.78Å; Y56-I60 HydrophobicContact CE1-CD1 3.17Å; Y56-I60 HydrophobicContact CE1-CG1 4.33Å; Y56-I60 HydrophobicContact CE2-CD1 4.4Å; Y56-I60 WeakPolarHBondContact O-CG1 3.46Å; Y56-I60 PolarHBondContact O-N 3.3Å; Y56-I60 VanDerWaalsContact O-N 3.14Å; Y56-F75 HydrophobicContact CD1-CE1 4.49Å; Y56-F75 HydrophobicContact CD1-CZ 4.42Å; Y56-F75 AromaticContact CE1-CE1 3.62Å; Y56-F75 HydrophobicContact CE1-CE1 3.62Å; Y56-F75 AromaticContact CE1-CZ 3.8Å; Y56-F75 HydrophobicContact CE1-CZ 3.8Å; Y56-L112 HydrophobicContact CD1-CD2 3.87Å; Y56-L112 HydrophobicContact CE1-CD2 4.33Å
57	L	93.9	Very high	87.5	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-70.3	-33.9	177.8	-67.4	175.5	0	0	0	111.9	L36 L50 S54 E59 I60 F61 V73 F75 L112	L36-L57 HydrophobicContact CD2-CD2 4.43Å; L50-L57 HydrophobicContact CB-CD1 3.94Å; L50-L57 HydrophobicContact CD1-CD1 4.02Å; S54-L57 PolarHBondContact O-N 2.85Å; S54-L57 WeakPolarHBondContact OG-CG 3.44Å; S54-L57 PolarHBondContact OG-N 2.94Å; S54-L57 VanDerWaalsContact OG-N 3.14Å; L57-E59 PolarHBondContact O-N 2.98Å; L57-I60 HydrophobicContact CD2-CD1 4.48Å; L57-I60 PolarHBondContact O-N 2.85Å; L57-F61 HydrophobicContact CB-CD2 4.38Å; L57-F61 HydrophobicContact CB-CE2 3.75Å; L57-F61 HydrophobicContact CB-CZ 3.9Å; L57-F61 HydrophobicContact CD2-CZ 4.23Å; L57-F61 HydrophobicContact CG-CZ 4.46Å; L57-F61 WeakPolarHBondContact O-CB 3.14Å; L57-F61 WeakPolarHBondContact O-CD2 3.38Å; L57-F61 WeakPolarHBondContact O-CG 3.28Å; L57-F61 PolarHBondContact O-N 2.84Å; L57-V73 HydrophobicContact CD2-CG1 4.28Å; L57-F75 HydrophobicContact CD2-CE2 4.44Å; L57-F75 HydrophobicContact CD2-CZ 4.05Å; L57-L112 HydrophobicContact CD1-CD2 4.37Å; L57-L112 HydrophobicContact CD2-CD2 4.31Å; L57-L112 HydrophobicContact CG-CD2 4.18Å
58	F	92.8	Very high	86	Confident	105 Å²	105	67 Å²	67	46%	0.461	39%	0.388	S	S	.	.	H	α-helix	trans	-57.7	-46.1	171.7	174.2	-94.3	0	0	0	112	A51 S54 P55 F61 N62	A51-F58 HydrophobicContact CB-CB 4.14Å; A51-F58 HydrophobicContact CB-CD2 4.08Å; S54-F58 PolarHBondContact O-N 2.72Å; P55-F58 PolarHBondContact O-N 2.96Å; F58-F61 PolarHBondContact O-N 2.64Å; F58-N62 WeakPolarHBondContact CE1-ND2 3.49Å; F58-N62 WeakPolarHBondContact CE2-ND2 3.44Å; F58-N62 WeakPolarHBondContact CZ-ND2 3.19Å; F58-N62 WeakPolarHBondContact O-CB 3.46Å; F58-N62 PolarHBondContact O-N 3.11Å; F58-N62 VanDerWaalsContact O-N 3.09Å; F58-N62 PolarHBondContact O-ND2 3.08Å
59	E	91.8	Very high	84.8	Confident	101 Å²	101	65 Å²	65	47%	0.472	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-45.8	175.4	-73.4	168.1	-175.7	0	0	111.6	P55 Y56 L57 N62 S63 K113	P55-E59 WeakPolarHBondContact O-CG 3.48Å; P55-E59 PolarHBondContact O-N 3.5Å; Y56-E59 PolarHBondContact O-N 3.09Å; L57-E59 PolarHBondContact O-N 2.98Å; E59-N62 PolarHBondContact O-N 2.96Å; E59-S63 PolarHBondContact O-N 2.89Å; E59-S63 VanDerWaalsContact O-N 3.17Å; E59-S63 PolarHBondContact O-OG 3.25Å; E59-K113 IonicContact OE1-NZ 3.16Å; E59-K113 PolarHBondContact OE1-NZ 2.93Å; E59-K113 VanDerWaalsContact OE1-NZ 3.11Å; E59-K113 IonicContact OE2-NZ 2.75Å; E59-K113 PolarHBondContact OE2-NZ 3.23Å
60	I	90	Very high	83.8	Confident	42 Å²	42	68 Å²	68	22%	0.215	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-49	176.8	-71.1	175.4	0	0	0	111.5	Y56 L57 N62 S63 D64 V73	Y56-I60 HydrophobicContact CD1-CD1 3.78Å; Y56-I60 HydrophobicContact CE1-CD1 3.17Å; Y56-I60 HydrophobicContact CE1-CG1 4.33Å; Y56-I60 HydrophobicContact CE2-CD1 4.4Å; Y56-I60 WeakPolarHBondContact O-CG1 3.46Å; Y56-I60 PolarHBondContact O-N 3.3Å; Y56-I60 VanDerWaalsContact O-N 3.14Å; L57-I60 HydrophobicContact CD2-CD1 4.48Å; L57-I60 PolarHBondContact O-N 2.85Å; I60-N62 VanDerWaalsContact C-N 3.27Å; I60-N62 PolarHBondContact O-N 2.9Å; I60-S63 WeakPolarHBondContact CA-OG 3.29Å; I60-S63 PolarHBondContact O-N 2.83Å; I60-S63 VanDerWaalsContact O-N 3.16Å; I60-S63 PolarHBondContact O-OG 2.7Å; I60-D64 PolarHBondContact O-N 2.74Å; I60-V73 HydrophobicContact CD1-CG1 4.12Å; I60-V73 HydrophobicContact CG2-CG2 3.83Å
61	F	90.4	Very high	83.2	Confident	8 Å²	8	68 Å²	68	4%	0.035	39%	0.389	C	S	.	.	H	α-helix	trans	-67.3	-27.6	-177.2	-59.4	-30.3	0	0	0	113.4	V34 R47 L50 A51 L57 F58 V73	V34-F61 HydrophobicContact CB-CE1 4.29Å; V34-F61 HydrophobicContact CB-CZ 4.32Å; V34-F61 HydrophobicContact CG1-CZ 4.33Å; V34-F61 HydrophobicContact CG2-CE1 3.65Å; V34-F61 HydrophobicContact CG2-CZ 3.83Å; R47-F61 HydrophobicContact CB-CD2 4Å; R47-F61 HydrophobicContact CB-CE2 4.15Å; R47-F61 HydrophobicContact CB-CG 4.4Å; R47-F61 HydrophobicContact CG-CD1 4.28Å; R47-F61 HydrophobicContact CG-CD2 4.23Å; R47-F61 HydrophobicContact CG-CE1 4.35Å; R47-F61 HydrophobicContact CG-CE2 4.3Å; R47-F61 HydrophobicContact CG-CG 4.24Å; R47-F61 HydrophobicContact CG-CZ 4.37Å; R47-F61 PolarHBondContact NH2-O 2.93Å; L50-F61 HydrophobicContact CB-CE2 3.99Å; L50-F61 HydrophobicContact CB-CZ 4.38Å; A51-F61 HydrophobicContact CB-CD2 4.07Å; A51-F61 HydrophobicContact CB-CE2 4.46Å; L57-F61 HydrophobicContact CB-CD2 4.38Å; L57-F61 HydrophobicContact CB-CE2 3.75Å; L57-F61 HydrophobicContact CB-CZ 3.9Å; L57-F61 HydrophobicContact CD2-CZ 4.23Å; L57-F61 HydrophobicContact CG-CZ 4.46Å; L57-F61 WeakPolarHBondContact O-CB 3.14Å; L57-F61 WeakPolarHBondContact O-CD2 3.38Å; L57-F61 WeakPolarHBondContact O-CG 3.28Å; L57-F61 PolarHBondContact O-N 2.84Å; F58-F61 PolarHBondContact O-N 2.64Å; F61-V73 HydrophobicContact CE1-CG2 3.84Å
62	N	86.3	Confident	83	Confident	111 Å²	111	71.4 Å²	71.4	59%	0.594	40%	0.401	S	S	*	.	H	α-helix	trans	-80.3	-20.1	175.9	-77.7	-23.1	0	0	0	113.4	F58 E59 I60	F58-N62 WeakPolarHBondContact CE1-ND2 3.49Å; F58-N62 WeakPolarHBondContact CE2-ND2 3.44Å; F58-N62 WeakPolarHBondContact CZ-ND2 3.19Å; F58-N62 WeakPolarHBondContact O-CB 3.46Å; F58-N62 PolarHBondContact O-N 3.11Å; F58-N62 VanDerWaalsContact O-N 3.09Å; F58-N62 PolarHBondContact O-ND2 3.08Å; E59-N62 PolarHBondContact O-N 2.96Å; I60-N62 VanDerWaalsContact C-N 3.27Å; I60-N62 PolarHBondContact O-N 2.9Å
63	S	82.8	Confident	82.8	Confident	92 Å²	92	66.4 Å²	66.4	64%	0.643	37%	0.367	S	S	*	.	H	α-helix	trans	-90.6	-7.3	174.6	51.9	0	0	0	0	112.8	E59 I60 S65	E59-S63 PolarHBondContact O-N 2.89Å; E59-S63 VanDerWaalsContact O-N 3.17Å; E59-S63 PolarHBondContact O-OG 3.25Å; I60-S63 WeakPolarHBondContact CA-OG 3.29Å; I60-S63 PolarHBondContact O-N 2.83Å; I60-S63 VanDerWaalsContact O-N 3.16Å; I60-S63 PolarHBondContact O-OG 2.7Å; S63-S65 PolarHBondContact O-N 3.49Å
64	D	77	Confident	82.8	Confident	58 Å²	58	69.5 Å²	69.5	31%	0.31	38%	0.375	S	S	.	.			trans	-69.2	127.3	177.7	-157.3	-13.2	0	0	0	110.5	I60 S71	I60-D64 PolarHBondContact O-N 2.74Å; D64-S71 VanDerWaalsContact OD2-CB 3.27Å; D64-S71 WeakPolarHBondContact OD2-CB 3.32Å; D64-S71 PolarHBondContact OD2-OG 3.45Å
65	S	62.7	Low	82.6	Confident	118 Å²	118	69.6 Å²	69.6	83%	0.825	38%	0.376	S	S	*	.	S	Bend	trans	-90.8	-9.4	-171.2	50.4	0	0	0	0	113.3	S63 P67	S63-S65 PolarHBondContact O-N 3.49Å; S65-P67 VanDerWaalsContact O-CD 3.25Å; S65-P67 WeakPolarHBondContact O-CD 3.44Å
66	D	66.3	Low	82.5	Confident	87 Å²	87	71.6 Å²	71.6	47%	0.465	38%	0.383	S	S	.	.			trans	-106.8	99	173	-170.9	-7.3	0	0	0	111.2	H68 G69	D66-H68 VanDerWaalsContact C-N 3.26Å; D66-H68 PolarHBondContact O-N 2.89Å; D66-H68 PolarHBondContact OD1-N 3.28Å; D66-G69 PolarHBondContact OD1-N 3.49Å
67	P	60.7	Low	82.3	Confident	93 Å²	93	73.5 Å²	73.5	60%	0.604	40%	0.397	S	S	*	.	S	Bend	trans	-74.7	-8.5	180	20.1	-22.9	0	0	0	114.7	S65	S65-P67 VanDerWaalsContact O-CD 3.25Å; S65-P67 WeakPolarHBondContact O-CD 3.44Å
68	H	61	Low	82.3	Confident	176 Å²	176	73.8 Å²	73.8	82%	0.815	40%	0.399	S	S	*	.	S	Bend	trans	-116.3	-9.2	-171.6	-61.3	75.3	0	0	0	114.1	D66	D66-H68 VanDerWaalsContact C-N 3.26Å; D66-H68 PolarHBondContact O-N 2.89Å; D66-H68 PolarHBondContact OD1-N 3.28Å
69	G	67.5	Low	82.5	Confident	28 Å²	28	71.1 Å²	71.1	29%	0.289	39%	0.39	S	S	.	.	S	Bend	trans	-90.4	168.2	174.7	0	0	0	0	0	114.5	D66 S71	D66-G69 PolarHBondContact OD1-N 3.49Å; G69-S71 PolarHBondContact O-N 3.26Å
70	I	74.3	Confident	82.7	Confident	89 Å²	89	67.5 Å²	67.5	46%	0.456	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-71.2	117.9	167.4	-62.7	174.6	0	0	0	107.5	D33 R35 H72	D33-I70 WeakPolarHBondContact O-CA 3.43Å; R35-I70 HydrophobicContact CB-CG2 4Å; I70-H72 PolarHBondContact O-N 2.79Å
71	S	81.6	Confident	83	Confident	5 Å²	5	71.2 Å²	71.2	4%	0.035	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	132	176.1	-169.8	0	0	0	0	109.8	D33 V34 R35 D64 G69	D33-S71 PolarHBondContact O-N 2.83Å; V34-S71 CarbonylContact C-O 3.59Å; V34-S71 VanDerWaalsContact CA-O 3.31Å; V34-S71 WeakPolarHBondContact CA-O 3.45Å; V34-S71 WeakPolarHBondContact CG2-O 3.37Å; R35-S71 PolarHBondContact N-O 2.87Å; D64-S71 VanDerWaalsContact OD2-CB 3.27Å; D64-S71 WeakPolarHBondContact OD2-CB 3.32Å; D64-S71 PolarHBondContact OD2-OG 3.45Å; G69-S71 PolarHBondContact O-N 3.26Å
72	H	88.4	Confident	83.4	Confident	95 Å²	95	70.9 Å²	70.9	44%	0.44	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	110.4	-177.4	-174.9	-89.1	0	0	0	110.7	Q37 I70	Q37-H72 PolarHBondContact OE1-CE1 2.84Å; Q37-H72 VanDerWaalsContact OE1-CE1 3.27Å; I70-H72 PolarHBondContact O-N 2.79Å
73	V	90.5	Very high	83.9	Confident	10 Å²	10	65.6 Å²	65.6	6%	0.061	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.5	-177.4	-174	0	0	0	0	109.8	V34 R35 L36 Q37 L57 I60 F61 F75	V34-V73 HydrophobicContact CG2-CG2 4.39Å; R35-V73 PolarHBondContact O-N 3.45Å; L36-V73 CarbonylContact C-O 3.59Å; L36-V73 WeakPolarHBondContact CA-O 3.38Å; L36-V73 HydrophobicContact CD2-CB 3.79Å; L36-V73 HydrophobicContact CD2-CG1 4.42Å; L36-V73 HydrophobicContact CD2-CG2 4.29Å; Q37-V73 PolarHBondContact N-O 3.03Å; L57-V73 HydrophobicContact CD2-CG1 4.28Å; I60-V73 HydrophobicContact CD1-CG1 4.12Å; I60-V73 HydrophobicContact CG2-CG2 3.83Å; F61-V73 HydrophobicContact CE1-CG2 3.84Å; V73-F75 HydrophobicContact CB-CE2 4.47Å; V73-F75 HydrophobicContact CG1-CD2 4.41Å; V73-F75 HydrophobicContact CG1-CE2 3.61Å; V73-F75 HydrophobicContact CG1-CZ 3.68Å
74	K	92.7	Very high	84.5	Confident	107 Å²	107	65.6 Å²	65.6	47%	0.465	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.5	-175.1	-167.4	177.1	-174.2	-120.9	0	112.2	Q37 D76	Q37-K74 HydrophobicContact CB-CG 4.33Å; Q37-K74 HydrophobicContact CG-CG 4.5Å; Q37-K74 CarbonylContact O-C 3.57Å; Q37-K74 WeakPolarHBondContact O-CA 3.34Å; K74-D76 WeakPolarHBondContact CE-OD1 3.41Å; K74-D76 IonicContact NZ-OD1 2.87Å; K74-D76 PolarHBondContact NZ-OD1 2.99Å; K74-D76 IonicContact NZ-OD2 3.76Å; K74-D76 PolarHBondContact NZ-OD2 3.18Å
75	F	93.7	Very high	85.5	Confident	3 Å²	3	63.6 Å²	63.6	1%	0.013	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	114.3	173	-59.9	-78.6	0	0	0	109.6	L36 Q37 V38 C39 Y56 L57 V73 L78 K111 L112	L36-F75 HydrophobicContact CD2-CE2 4.36Å; Q37-F75 PolarHBondContact O-N 2.79Å; V38-F75 CarbonylContact C-O 3.5Å; V38-F75 VanDerWaalsContact CA-O 3.3Å; V38-F75 WeakPolarHBondContact CA-O 3.47Å; V38-F75 HydrophobicContact CG1-CB 4.47Å; V38-F75 HydrophobicContact CG2-CB 4.36Å; V38-F75 HydrophobicContact CG2-CD2 4.2Å; C39-F75 PolarHBondContact N-O 2.87Å; Y56-F75 HydrophobicContact CD1-CE1 4.49Å; Y56-F75 HydrophobicContact CD1-CZ 4.42Å; Y56-F75 AromaticContact CE1-CE1 3.62Å; Y56-F75 HydrophobicContact CE1-CE1 3.62Å; Y56-F75 AromaticContact CE1-CZ 3.8Å; Y56-F75 HydrophobicContact CE1-CZ 3.8Å; L57-F75 HydrophobicContact CD2-CE2 4.44Å; L57-F75 HydrophobicContact CD2-CZ 4.05Å; V73-F75 HydrophobicContact CB-CE2 4.47Å; V73-F75 HydrophobicContact CG1-CD2 4.41Å; V73-F75 HydrophobicContact CG1-CE2 3.61Å; V73-F75 HydrophobicContact CG1-CZ 3.68Å; F75-L78 HydrophobicContact CB-CB 4.25Å; F75-L78 HydrophobicContact CB-CD1 3.94Å; F75-L78 HydrophobicContact CB-CG 4.13Å; F75-L78 HydrophobicContact CD1-CD1 3.81Å; F75-L78 HydrophobicContact CD2-CD1 4.46Å; F75-L78 HydrophobicContact CE1-CD1 4.42Å; F75-L78 HydrophobicContact CG-CD1 3.82Å; F75-L78 HydrophobicContact CG-CG 4.5Å; F75-K111 HydrophobicContact CD1-CD 4.48Å; F75-L112 HydrophobicContact CE1-CD2 3.91Å; F75-L112 HydrophobicContact CE2-CD2 4.24Å; F75-L112 HydrophobicContact CZ-CD2 3.52Å
76	D	92.9	Very high	87.2	Confident	103 Å²	103	58.1 Å²	58.1	55%	0.551	30%	0.303	S	S	*	.	S	Bend	trans	-97.5	-7.1	-177	-68.7	-43.6	0	0	0	113.4	C39 K74	C39-D76 PolarHBondContact SG-O 2.99Å; C39-D76 VanDerWaalsContact SG-O 3.4Å; K74-D76 WeakPolarHBondContact CE-OD1 3.41Å; K74-D76 IonicContact NZ-OD1 2.87Å; K74-D76 PolarHBondContact NZ-OD1 2.99Å; K74-D76 IonicContact NZ-OD2 3.76Å; K74-D76 PolarHBondContact NZ-OD2 3.18Å
77	D	91.3	Very high	88.6	Confident	108 Å²	108	54.3 Å²	54.3	58%	0.578	28%	0.282	S	S	*	.	S	Bend	trans	-122.8	11.1	-170.6	64.1	-33.8	0	0	0	113	K111	D77-K111 IonicContact OD1-NZ 3.71Å; D77-K111 PolarHBondContact OD1-NZ 2.81Å; D77-K111 IonicContact OD2-NZ 2.54Å; D77-K111 PolarHBondContact OD2-NZ 3.37Å
78	L	94.7	Very high	90.2	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.058	27%	0.266	C	S	.	.	S	Bend	trans	-110.9	146.9	178.3	-66.2	-175.8	0	0	0	111.1	V38 C39 F75 P80 V83 A108 K111	V38-L78 HydrophobicContact CG1-CB 3.86Å; V38-L78 WeakPolarHBondContact CG1-O 3.48Å; C39-L78 PolarHBondContact SG-O 3.01Å; F75-L78 HydrophobicContact CB-CB 4.25Å; F75-L78 HydrophobicContact CB-CD1 3.94Å; F75-L78 HydrophobicContact CB-CG 4.13Å; F75-L78 HydrophobicContact CD1-CD1 3.81Å; F75-L78 HydrophobicContact CD2-CD1 4.46Å; F75-L78 HydrophobicContact CE1-CD1 4.42Å; F75-L78 HydrophobicContact CG-CD1 3.82Å; F75-L78 HydrophobicContact CG-CG 4.5Å; L78-P80 WeakPolarHBondContact O-CD 3.14Å; L78-V83 HydrophobicContact CB-CG2 3.98Å; L78-V83 HydrophobicContact CD1-CG2 3.85Å; L78-A108 HydrophobicContact CD1-CB 4.33Å; L78-A108 HydrophobicContact CD2-CB 4.07Å; L78-K111 HydrophobicContact CD1-CD 4.15Å; L78-K111 HydrophobicContact CD2-CB 4.38Å; L78-K111 HydrophobicContact CD2-CD 3.88Å; L78-K111 HydrophobicContact CG-CD 4.1Å
79	N	95.6	Very high	91.9	Very high	49 Å²	49	46.4 Å²	46.4	26%	0.262	24%	0.237	S	C	.	.			trans	-72.2	123.8	170.2	-176.4	-31.3	0	0	0	109.5	E81 A82 V83 L101 D104	N79-E81 VanDerWaalsContact C-N 3.34Å; N79-E81 PolarHBondContact O-N 2.88Å; N79-E81 PolarHBondContact OD1-N 2.79Å; N79-A82 HydrophobicContact CB-CB 3.95Å; N79-A82 WeakPolarHBondContact O-CB 3.48Å; N79-A82 PolarHBondContact O-N 3.02Å; N79-V83 PolarHBondContact O-N 2.82Å; N79-V83 VanDerWaalsContact O-N 3.14Å; N79-L101 WeakPolarHBondContact ND2-CD1 3.2Å; N79-D104 HydrophobicContact CB-CB 3.87Å; N79-D104 PolarHBondContact ND2-OD2 2.66Å
80	P	96.6	Very high	93.2	Very high	24 Å²	24	45.8 Å²	45.8	16%	0.156	23%	0.229	C	C	.	.	H	α-helix	trans	-56	-42.5	178.7	-25	33.6	0	0	0	114.1	V38 C39 H41 L78 A82 V83 E84	V38-P80 HydrophobicContact CB-CB 4.48Å; V38-P80 HydrophobicContact CB-CG 4.47Å; V38-P80 HydrophobicContact CG1-CB 4.32Å; V38-P80 HydrophobicContact CG1-CG 4.07Å; C39-P80 HydrophobicContact CB-CG 4.1Å; H41-P80 HydrophobicContact CB-CB 4.07Å; H41-P80 HydrophobicContact CB-CG 4.34Å; H41-P80 WeakPolarHBondContact ND1-CG 3.49Å; L78-P80 WeakPolarHBondContact O-CD 3.14Å; P80-A82 VanDerWaalsContact C-N 3.31Å; P80-A82 PolarHBondContact O-N 2.98Å; P80-V83 PolarHBondContact O-N 2.72Å; P80-E84 PolarHBondContact O-N 3.29Å
81	E	97	Very high	94.2	Very high	121 Å²	121	41.6 Å²	41.6	57%	0.565	21%	0.208	S	C	*	.	H	α-helix	trans	-65.5	-37.6	-179.4	-63.8	-179.9	-177	0	0	111.1	N79 E84 V85 L101	N79-E81 VanDerWaalsContact C-N 3.34Å; N79-E81 PolarHBondContact O-N 2.88Å; N79-E81 PolarHBondContact OD1-N 2.79Å; E81-E84 WeakPolarHBondContact O-CB 3.47Å; E81-E84 PolarHBondContact O-N 3.22Å; E81-V85 WeakPolarHBondContact O-CG2 3.4Å; E81-V85 PolarHBondContact O-N 3.13Å; E81-L101 HydrophobicContact CB-CD1 4.02Å; E81-L101 HydrophobicContact CB-CD2 3.92Å
82	A	97.8	Very high	94.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-41.7	176.1	0	0	0	0	0	111.9	N79 P80 E84 V85 L86 L101 D104 V105 A108	N79-A82 HydrophobicContact CB-CB 3.95Å; N79-A82 WeakPolarHBondContact O-CB 3.48Å; N79-A82 PolarHBondContact O-N 3.02Å; P80-A82 VanDerWaalsContact C-N 3.31Å; P80-A82 PolarHBondContact O-N 2.98Å; A82-E84 VanDerWaalsContact C-N 3.28Å; A82-E84 PolarHBondContact O-N 3.44Å; A82-V85 WeakPolarHBondContact O-CB 3.25Å; A82-V85 PolarHBondContact O-N 2.9Å; A82-L86 WeakPolarHBondContact O-CG 3.26Å; A82-L86 PolarHBondContact O-N 3.35Å; A82-L101 HydrophobicContact CB-CD1 4.31Å; A82-L101 HydrophobicContact CB-CG 4.44Å; A82-D104 HydrophobicContact CB-CB 3.69Å; A82-V105 HydrophobicContact CB-CG2 3.93Å; A82-A108 HydrophobicContact CB-CB 4.39Å
83	V	97.1	Very high	94.8	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-35.5	174	179.3	0	0	0	0	110.6	L36 V38 M43 L78 N79 P80 V85 L86 L87 A108	L36-V83 HydrophobicContact CD1-CG1 4.33Å; V38-V83 HydrophobicContact CG1-CG2 4.12Å; V38-V83 HydrophobicContact CG2-CB 4.14Å; V38-V83 HydrophobicContact CG2-CG1 4.01Å; V38-V83 HydrophobicContact CG2-CG2 4.01Å; M43-V83 HydrophobicContact SD-CB 4.39Å; M43-V83 HydrophobicContact SD-CG1 4.05Å; L78-V83 HydrophobicContact CB-CG2 3.98Å; L78-V83 HydrophobicContact CD1-CG2 3.85Å; N79-V83 PolarHBondContact O-N 2.82Å; N79-V83 VanDerWaalsContact O-N 3.14Å; P80-V83 PolarHBondContact O-N 2.72Å; V83-V85 PolarHBondContact O-N 2.84Å; V83-L86 PolarHBondContact O-N 3.01Å; V83-L86 VanDerWaalsContact O-N 3.16Å; V83-L87 HydrophobicContact CG1-CG 4.4Å; V83-L87 WeakPolarHBondContact O-CG 3.29Å; V83-L87 PolarHBondContact O-N 3.22Å; V83-A108 HydrophobicContact CG2-CB 4.31Å
84	E	96.1	Very high	94.9	Very high	92 Å²	92	47.4 Å²	47.4	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-41.7	174.1	-164.8	169.3	178.9	0	0	113.2	M43 P80 E81 A82 L86 L87 N88	M43-E84 HydrophobicContact CE-CB 3.46Å; M43-E84 VanDerWaalsContact CE-CB 3.46Å; M43-E84 HydrophobicContact CE-CG 3.6Å; P80-E84 PolarHBondContact O-N 3.29Å; E81-E84 WeakPolarHBondContact O-CB 3.47Å; E81-E84 PolarHBondContact O-N 3.22Å; A82-E84 VanDerWaalsContact C-N 3.28Å; A82-E84 PolarHBondContact O-N 3.44Å; E84-L86 VanDerWaalsContact C-N 3.29Å; E84-L86 PolarHBondContact O-N 2.97Å; E84-L87 PolarHBondContact O-N 3.1Å; E84-N88 WeakPolarHBondContact O-CB 3.35Å; E84-N88 VanDerWaalsContact O-CG 3.31Å; E84-N88 PolarHBondContact O-N 2.86Å; E84-N88 PolarHBondContact O-ND2 3.41Å
85	V	97.8	Very high	95.1	Very high	15 Å²	15	44.9 Å²	44.9	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-57.5	-44	172.4	169.5	0	0	0	0	111	E81 A82 V83 N88 Y89 L95 K96 A97 L101 V105	E81-V85 WeakPolarHBondContact O-CG2 3.4Å; E81-V85 PolarHBondContact O-N 3.13Å; A82-V85 WeakPolarHBondContact O-CB 3.25Å; A82-V85 PolarHBondContact O-N 2.9Å; V83-V85 PolarHBondContact O-N 2.84Å; V85-N88 PolarHBondContact O-N 2.96Å; V85-Y89 WeakPolarHBondContact O-CB 3.49Å; V85-Y89 PolarHBondContact O-N 3.44Å; V85-L95 HydrophobicContact CG1-CD1 3.65Å; V85-L95 HydrophobicContact CG1-CG 4.46Å; V85-K96 WeakPolarHBondContact CG1-O 3.28Å; V85-K96 WeakPolarHBondContact CG2-O 3.46Å; V85-A97 HydrophobicContact CG1-CB 4.12Å; V85-A97 HydrophobicContact CG2-CB 4.4Å; V85-L101 HydrophobicContact CG2-CD2 3.89Å; V85-V105 HydrophobicContact CB-CG2 4.02Å; V85-V105 HydrophobicContact CG1-CG1 4.08Å; V85-V105 HydrophobicContact CG1-CG2 4Å; V85-V105 HydrophobicContact CG2-CG2 4.27Å
86	L	97.9	Very high	95.2	Very high	4 Å²	4	52 Å²	52	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-38.7	179.1	-62.6	-179.5	0	0	0	112.7	A82 V83 E84 Y89 A90 L95 V105 A108 A109 L112 M114 V117	A82-L86 WeakPolarHBondContact O-CG 3.26Å; A82-L86 PolarHBondContact O-N 3.35Å; V83-L86 PolarHBondContact O-N 3.01Å; V83-L86 VanDerWaalsContact O-N 3.16Å; E84-L86 VanDerWaalsContact C-N 3.29Å; E84-L86 PolarHBondContact O-N 2.97Å; L86-Y89 WeakPolarHBondContact O-CB 3.25Å; L86-Y89 PolarHBondContact O-N 2.86Å; L86-A90 PolarHBondContact O-N 3.41Å; L86-L95 HydrophobicContact CD2-CD1 4.47Å; L86-V105 HydrophobicContact CD2-CG1 3.84Å; L86-V105 HydrophobicContact CG-CG1 4.44Å; L86-A108 HydrophobicContact CD1-CB 3.56Å; L86-A109 HydrophobicContact CD1-CB 4.29Å; L86-A109 HydrophobicContact CD2-CB 4.13Å; L86-L112 HydrophobicContact CD1-CD1 3.85Å; L86-M114 HydrophobicContact CB-SD 4.12Å; L86-M114 HydrophobicContact CD1-SD 4.13Å; L86-M114 HydrophobicContact CD2-SD 4.21Å; L86-M114 HydrophobicContact CG-SD 4.39Å; L86-V117 HydrophobicContact CD2-CB 4.31Å; L86-V117 HydrophobicContact CD2-CG1 3.54Å; L86-V117 HydrophobicContact CD2-CG2 4.5Å
87	L	95.4	Very high	95.3	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-48.5	172.3	-70.9	-179.7	0	0	0	110.5	L36 M43 A45 L50 V83 E84 Y89 A90 Y91	L36-L87 HydrophobicContact CD1-CD1 4.4Å; L36-L87 HydrophobicContact CD1-CD2 3.94Å; M43-L87 HydrophobicContact CB-CD1 3.81Å; M43-L87 HydrophobicContact CE-CD1 3.68Å; M43-L87 HydrophobicContact CG-CD1 4.39Å; M43-L87 HydrophobicContact SD-CD1 3.66Å; A45-L87 HydrophobicContact CB-CD2 4.33Å; L50-L87 HydrophobicContact CD1-CD2 3.89Å; L50-L87 HydrophobicContact CD2-CD2 3.4Å; L50-L87 VanDerWaalsContact CD2-CD2 3.4Å; L50-L87 HydrophobicContact CG-CD2 4.29Å; V83-L87 HydrophobicContact CG1-CG 4.4Å; V83-L87 WeakPolarHBondContact O-CG 3.29Å; V83-L87 PolarHBondContact O-N 3.22Å; E84-L87 PolarHBondContact O-N 3.1Å; L87-Y89 VanDerWaalsContact C-N 3.25Å; L87-Y89 PolarHBondContact O-N 2.84Å; L87-A90 WeakPolarHBondContact O-CB 3.31Å; L87-A90 PolarHBondContact O-N 3.34Å; L87-A90 VanDerWaalsContact O-N 3.11Å; L87-Y91 VanDerWaalsContact O-CD2 3.3Å; L87-Y91 WeakPolarHBondContact O-CD2 3.46Å; L87-Y91 PolarHBondContact O-N 2.71Å
88	N	94.9	Very high	95.5	Very high	48 Å²	48	49.8 Å²	49.8	26%	0.257	27%	0.267	S	S	.	.	H	α-helix	trans	-58.9	-40.6	177.2	-73.6	-33.3	0	0	0	111.2	R26 E84 V85 Y91 T92	R26-N88 PolarHBondContact NH2-OD1 3.15Å; E84-N88 WeakPolarHBondContact O-CB 3.35Å; E84-N88 VanDerWaalsContact O-CG 3.31Å; E84-N88 PolarHBondContact O-N 2.86Å; E84-N88 PolarHBondContact O-ND2 3.41Å; V85-N88 PolarHBondContact O-N 2.96Å; N88-Y91 CarbonylContact O-C 3.57Å; N88-Y91 PolarHBondContact O-N 3.05Å; N88-T92 WeakPolarHBondContact O-CB 3.4Å; N88-T92 WeakPolarHBondContact O-CG2 3.48Å; N88-T92 PolarHBondContact O-N 2.92Å; N88-T92 PolarHBondContact O-OG1 2.89Å
89	Y	96.3	Very high	95.4	Very high	55 Å²	55	56 Å²	56	22%	0.216	29%	0.293	C	S	.	.	H	α-helix	trans	-58.7	-46	173.4	170	-98.9	0	0	0	112.5	V85 L86 L87 Y91 T92 A93 Q94 L95 M114 V117	V85-Y89 WeakPolarHBondContact O-CB 3.49Å; V85-Y89 PolarHBondContact O-N 3.44Å; L86-Y89 WeakPolarHBondContact O-CB 3.25Å; L86-Y89 PolarHBondContact O-N 2.86Å; L87-Y89 VanDerWaalsContact C-N 3.25Å; L87-Y89 PolarHBondContact O-N 2.84Å; Y89-Y91 PolarHBondContact O-N 3.21Å; Y89-Y91 VanDerWaalsContact O-N 3.13Å; Y89-T92 PolarHBondContact O-N 3.16Å; Y89-A93 WeakPolarHBondContact O-CA 3.37Å; Y89-A93 PolarHBondContact O-N 2.9Å; Y89-Q94 WeakPolarHBondContact CA-O 3.44Å; Y89-L95 HydrophobicContact CD2-CB 4.03Å; Y89-L95 HydrophobicContact CD2-CD1 4.41Å; Y89-L95 HydrophobicContact CG-CD1 4.36Å; Y89-M114 HydrophobicContact CD1-CE 3.71Å; Y89-M114 HydrophobicContact CE1-CE 3.94Å; Y89-V117 HydrophobicContact CD1-CG2 3.6Å; Y89-V117 HydrophobicContact CD2-CG2 4.38Å; Y89-V117 HydrophobicContact CE1-CG2 3.32Å; Y89-V117 HydrophobicContact CE2-CG2 4.16Å; Y89-V117 HydrophobicContact CG-CG2 4.11Å
90	A	95.2	Very high	95.3	Very high	15 Å²	15	62.6 Å²	62.6	12%	0.124	32%	0.322	C	S	.	.	H	α-helix	trans	-59.1	-27.6	179.1	0	0	0	0	0	113.5	V49 L50 C53 L86 L87	V49-A90 HydrophobicContact CG1-CB 4.3Å; L50-A90 HydrophobicContact CD2-CB 4.25Å; C53-A90 HydrophobicContact CB-CB 4.18Å; L86-A90 PolarHBondContact O-N 3.41Å; L87-A90 WeakPolarHBondContact O-CB 3.31Å; L87-A90 PolarHBondContact O-N 3.34Å; L87-A90 VanDerWaalsContact O-N 3.11Å
91	Y	94.8	Very high	95.3	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.008	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	3.5	-177.7	-74	-91.2	0	0	0	114.6	V19 L22 N23 R26 H46 V49 L50 L87 N88 Y89	V19-Y91 VanDerWaalsContact CG1-C 3.47Å; V19-Y91 WeakPolarHBondContact CG1-O 3.43Å; L22-Y91 HydrophobicContact CB-CD1 4.08Å; L22-Y91 HydrophobicContact CB-CE1 4.17Å; N23-Y91 HydrophobicContact CB-CD1 4.31Å; N23-Y91 HydrophobicContact CB-CG 4.44Å; R26-Y91 HydrophobicContact CB-CE1 4.13Å; R26-Y91 VanDerWaalsContact CD-CE2 3.47Å; H46-Y91 VanDerWaalsContact CB-OH 3.24Å; H46-Y91 WeakPolarHBondContact CB-OH 3.34Å; H46-Y91 PolarHBondContact N-OH 3.16Å; H46-Y91 AromaticContact ND1-CE1 3.69Å; H46-Y91 AromaticContact ND1-CZ 3.68Å; H46-Y91 PolarHBondContact ND1-OH 3.4Å; V49-Y91 HydrophobicContact CB-CE1 3.98Å; V49-Y91 HydrophobicContact CB-CE2 4.19Å; V49-Y91 WeakPolarHBondContact CB-OH 3.26Å; V49-Y91 HydrophobicContact CG1-CD1 4.11Å; V49-Y91 HydrophobicContact CG1-CD2 4.05Å; V49-Y91 HydrophobicContact CG1-CE1 3.76Å; V49-Y91 HydrophobicContact CG1-CE2 3.68Å; V49-Y91 HydrophobicContact CG1-CG 4.26Å; V49-Y91 HydrophobicContact CG2-CE1 3.75Å; L50-Y91 HydrophobicContact CD2-CE2 4.21Å; L87-Y91 VanDerWaalsContact O-CD2 3.3Å; L87-Y91 WeakPolarHBondContact O-CD2 3.46Å; L87-Y91 PolarHBondContact O-N 2.71Å; N88-Y91 CarbonylContact O-C 3.57Å; N88-Y91 PolarHBondContact O-N 3.05Å; Y89-Y91 PolarHBondContact O-N 3.21Å; Y89-Y91 VanDerWaalsContact O-N 3.13Å
92	T	92.4	Very high	95.3	Very high	51 Å²	51	56.9 Å²	56.9	31%	0.313	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.4	-12.2	-178.9	64.5	0	0	0	0	114	N23 N88 Y89 Q94	N23-T92 WeakPolarHBondContact ND2-CG2 3.19Å; N88-T92 WeakPolarHBondContact O-CB 3.4Å; N88-T92 WeakPolarHBondContact O-CG2 3.48Å; N88-T92 PolarHBondContact O-N 2.92Å; N88-T92 PolarHBondContact O-OG1 2.89Å; Y89-T92 PolarHBondContact O-N 3.16Å; T92-Q94 PolarHBondContact O-N 3.07Å; T92-Q94 PolarHBondContact OG1-N 2.84Å; T92-Q94 VanDerWaalsContact OG1-N 3.17Å; T92-Q94 PolarHBondContact OG1-O 3.36Å
93	A	91.1	Very high	95.3	Very high	79 Å²	79	59.5 Å²	59.5	65%	0.653	31%	0.306	S	S	*	.	S	Bend	trans	55.5	12.6	-166.7	0	0	0	0	0	114.4	Y89	Y89-A93 WeakPolarHBondContact O-CA 3.37Å; Y89-A93 PolarHBondContact O-N 2.9Å
94	Q	92.8	Very high	95.3	Very high	102 Å²	102	62.5 Å²	62.5	48%	0.477	32%	0.322	S	S	.	.			trans	-109.7	123.7	178.6	-65.7	-178.6	10.2	0	0	110	Y89 T92	Y89-Q94 WeakPolarHBondContact CA-O 3.44Å; T92-Q94 PolarHBondContact O-N 3.07Å; T92-Q94 PolarHBondContact OG1-N 2.84Å; T92-Q94 VanDerWaalsContact OG1-N 3.17Å; T92-Q94 PolarHBondContact OG1-O 3.36Å
95	L	96.4	Very high	95.4	Very high	54 Å²	54	58.1 Å²	58.1	28%	0.283	30%	0.301	S	S	.	.			trans	-96	103.9	174.4	-170.9	73.2	0	0	0	109	V85 L86 Y89 V105 V117 V120	V85-L95 HydrophobicContact CG1-CD1 3.65Å; V85-L95 HydrophobicContact CG1-CG 4.46Å; L86-L95 HydrophobicContact CD2-CD1 4.47Å; Y89-L95 HydrophobicContact CD2-CB 4.03Å; Y89-L95 HydrophobicContact CD2-CD1 4.41Å; Y89-L95 HydrophobicContact CG-CD1 4.36Å; L95-V105 HydrophobicContact CD1-CG1 4.24Å; L95-V117 HydrophobicContact CD1-CG1 3.63Å; L95-V117 HydrophobicContact CD1-CG2 4.49Å; L95-V117 HydrophobicContact CD2-CG1 3.8Å; L95-V117 HydrophobicContact CG-CG1 4.38Å; L95-V120 HydrophobicContact CD2-CG1 4.14Å
96	K	95.5	Very high	95.4	Very high	151 Å²	151	57.6 Å²	57.6	66%	0.657	30%	0.298	S	S	*	.			trans	-116.4	107	177.7	-67.5	179.4	-177.2	168.6	0	108.6	V85	V85-K96 WeakPolarHBondContact CG1-O 3.28Å; V85-K96 WeakPolarHBondContact CG2-O 3.46Å
97	A	95.8	Very high	95.3	Very high	37 Å²	37	58.8 Å²	58.8	31%	0.306	31%	0.307	S	S	.	.			trans	-131.6	139.8	178.8	0	0	0	0	0	109.3	V85 V102 V105	V85-A97 HydrophobicContact CG1-CB 4.12Å; V85-A97 HydrophobicContact CG2-CB 4.4Å; A97-V102 HydrophobicContact CB-CG2 4.28Å; A97-V105 HydrophobicContact CB-CG2 4.01Å
98	D	94.9	Very high	95.4	Very high	129 Å²	129	58.5 Å²	58.5	69%	0.69	31%	0.305	S	S	*	.			trans	-68.8	152.3	169.9	-70	-32.5	0	0	0	110.6	E100 L101 V102	D98-E100 PolarHBondContact O-N 2.85Å; D98-E100 VanDerWaalsContact O-N 3.15Å; D98-L101 PolarHBondContact O-N 2.95Å; D98-V102 WeakPolarHBondContact O-CG2 3.41Å; D98-V102 PolarHBondContact O-N 2.8Å
99	K	92.9	Very high	95.5	Very high	140 Å²	140	56.2 Å²	56.2	61%	0.609	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-37.7	-171.2	-55.8	-172.1	177.5	167.8	0	112.7	Y124	K99-Y124 WeakPolarHBondContact CG-OH 3.38Å
100	E	93.4	Very high	95.5	Very high	188 Å²	188	57.7 Å²	57.7	88%	0.879	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-30.8	-178.8	-63.4	175.2	-170	0	0	111.8	D98	D98-E100 PolarHBondContact O-N 2.85Å; D98-E100 VanDerWaalsContact O-N 3.15Å
101	L	96.5	Very high	95.5	Very high	17 Å²	17	60.1 Å²	60.1	9%	0.089	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.1	-176.9	-164.3	67.1	0	0	0	113	N79 E81 A82 V85 D98 K103 D104 V105	N79-L101 WeakPolarHBondContact ND2-CD1 3.2Å; E81-L101 HydrophobicContact CB-CD1 4.02Å; E81-L101 HydrophobicContact CB-CD2 3.92Å; A82-L101 HydrophobicContact CB-CD1 4.31Å; A82-L101 HydrophobicContact CB-CG 4.44Å; V85-L101 HydrophobicContact CG2-CD2 3.89Å; D98-L101 PolarHBondContact O-N 2.95Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 2.83Å; L101-D104 HydrophobicContact CD1-CB 4.15Å; L101-D104 PolarHBondContact O-N 2.88Å; L101-V105 HydrophobicContact CD2-CG2 4.27Å; L101-V105 HydrophobicContact CG-CG2 4.03Å; L101-V105 WeakPolarHBondContact O-CG2 3.48Å; L101-V105 PolarHBondContact O-N 2.73Å
102	V	97.1	Very high	95.6	Very high	8 Å²	8	60.3 Å²	60.3	5%	0.048	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-35.5	-173	-178.9	0	0	0	0	113.1	A97 D98 D104 V105 Y106 C121 Y124 L125	A97-V102 HydrophobicContact CB-CG2 4.28Å; D98-V102 WeakPolarHBondContact O-CG2 3.41Å; D98-V102 PolarHBondContact O-N 2.8Å; V102-D104 VanDerWaalsContact C-N 3.33Å; V102-V105 PolarHBondContact O-N 2.75Å; V102-Y106 VanDerWaalsContact O-CB 3.3Å; V102-Y106 WeakPolarHBondContact O-CB 3.35Å; V102-Y106 PolarHBondContact O-N 3.4Å; V102-C121 HydrophobicContact CG1-CB 3.92Å; V102-Y124 HydrophobicContact CB-CD1 4.26Å; V102-Y124 HydrophobicContact CB-CE1 4.38Å; V102-Y124 HydrophobicContact CG1-CD1 3.83Å; V102-Y124 HydrophobicContact CG1-CE1 4.44Å; V102-Y124 HydrophobicContact CG2-CD1 3.95Å; V102-Y124 HydrophobicContact CG2-CE1 3.79Å; V102-L125 HydrophobicContact CB-CD2 4.36Å; V102-L125 HydrophobicContact CG1-CD2 4.08Å; V102-L125 HydrophobicContact CG1-CG 4.08Å
103	K	96.1	Very high	95.8	Very high	55 Å²	55	61.8 Å²	61.8	24%	0.239	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-38.9	175.5	-72.6	-175.9	179.9	178.9	0	111.7	L101 Y106 S107 L125 S136 F140	L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 2.83Å; K103-Y106 WeakPolarHBondContact O-CB 3.3Å; K103-Y106 PolarHBondContact O-N 2.72Å; K103-S107 PolarHBondContact O-N 3.31Å; K103-S107 PolarHBondContact O-OG 2.88Å; K103-L125 HydrophobicContact CG-CD1 4.37Å; K103-L125 HydrophobicContact CG-CD2 4Å; K103-S136 PolarHBondContact NZ-OG 3.3Å; K103-F140 HydrophobicContact CB-CD2 4.41Å; K103-F140 HydrophobicContact CB-CE2 3.89Å; K103-F140 HydrophobicContact CB-CZ 4.02Å; K103-F140 HydrophobicContact CD-CD2 4.27Å; K103-F140 HydrophobicContact CD-CG 4.4Å; K103-F140 HydrophobicContact CG-CD2 4.42Å; K103-F140 HydrophobicContact CG-CE1 4.45Å; K103-F140 HydrophobicContact CG-CE2 4.28Å; K103-F140 HydrophobicContact CG-CZ 4.29Å; K103-F140 WeakPolarHBondContact O-CZ 3.41Å
104	D	97.2	Very high	96.1	Very high	64 Å²	64	58.7 Å²	58.7	34%	0.342	28%	0.283	S	S	.	.	H	α-helix	trans	-72.4	-40.4	177.5	-66.7	-30.9	0	0	0	111.6	N79 A82 L101 V102 Y106 S107 A108	N79-D104 HydrophobicContact CB-CB 3.87Å; N79-D104 PolarHBondContact ND2-OD2 2.66Å; A82-D104 HydrophobicContact CB-CB 3.69Å; L101-D104 HydrophobicContact CD1-CB 4.15Å; L101-D104 PolarHBondContact O-N 2.88Å; V102-D104 VanDerWaalsContact C-N 3.33Å; D104-Y106 VanDerWaalsContact C-N 3.3Å; D104-Y106 PolarHBondContact O-N 3.09Å; D104-S107 PolarHBondContact O-N 3.03Å; D104-A108 WeakPolarHBondContact O-CB 3.47Å; D104-A108 PolarHBondContact O-N 3.2Å
105	V	98.3	Very high	96.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-41.8	173.5	177.7	0	0	0	0	110.5	A82 V85 L86 L95 A97 L101 V102 A109 V117	A82-V105 HydrophobicContact CB-CG2 3.93Å; V85-V105 HydrophobicContact CB-CG2 4.02Å; V85-V105 HydrophobicContact CG1-CG1 4.08Å; V85-V105 HydrophobicContact CG1-CG2 4Å; V85-V105 HydrophobicContact CG2-CG2 4.27Å; L86-V105 HydrophobicContact CD2-CG1 3.84Å; L86-V105 HydrophobicContact CG-CG1 4.44Å; L95-V105 HydrophobicContact CD1-CG1 4.24Å; A97-V105 HydrophobicContact CB-CG2 4.01Å; L101-V105 HydrophobicContact CD2-CG2 4.27Å; L101-V105 HydrophobicContact CG-CG2 4.03Å; L101-V105 WeakPolarHBondContact O-CG2 3.48Å; L101-V105 PolarHBondContact O-N 2.73Å; V102-V105 PolarHBondContact O-N 2.75Å; V105-A109 WeakPolarHBondContact O-CB 3.37Å; V105-A109 PolarHBondContact O-N 3.38Å; V105-V117 HydrophobicContact CG1-CG1 4.22Å
106	Y	97.9	Very high	96.2	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-49	173.3	-176.6	-77.9	0	0	0	111.4	V102 K103 D104 A109 K110 K118 C121 L125 F140 M144 D146 L149	V102-Y106 VanDerWaalsContact O-CB 3.3Å; V102-Y106 WeakPolarHBondContact O-CB 3.35Å; V102-Y106 PolarHBondContact O-N 3.4Å; K103-Y106 WeakPolarHBondContact O-CB 3.3Å; K103-Y106 PolarHBondContact O-N 2.72Å; D104-Y106 VanDerWaalsContact C-N 3.3Å; D104-Y106 PolarHBondContact O-N 3.09Å; Y106-A109 PolarHBondContact O-N 3.44Å; Y106-K110 PolarHBondContact O-N 3.05Å; Y106-K118 HydrophobicContact CD2-CG 4.17Å; Y106-K118 VanDerWaalsContact CD2-O 3.31Å; Y106-K118 WeakPolarHBondContact CD2-O 3.35Å; Y106-K118 HydrophobicContact CE1-CG 4.12Å; Y106-K118 HydrophobicContact CE2-CG 3.68Å; Y106-K118 WeakPolarHBondContact CE2-O 3.39Å; Y106-C121 HydrophobicContact CD2-CB 3.74Å; Y106-C121 HydrophobicContact CG-CB 4.35Å; Y106-L125 HydrophobicContact CD2-CD1 4.41Å; Y106-F140 AromaticContact CD1-CE1 3.72Å; Y106-F140 HydrophobicContact CD1-CE1 3.72Å; Y106-F140 AromaticContact CD1-CZ 3.57Å; Y106-F140 HydrophobicContact CD1-CZ 3.57Å; Y106-F140 HydrophobicContact CE1-CE1 4.14Å; Y106-F140 HydrophobicContact CE1-CZ 4.31Å; Y106-F140 HydrophobicContact CG-CE1 4.05Å; Y106-F140 HydrophobicContact CG-CZ 4Å; Y106-M144 HydrophobicContact CD1-CE 4.13Å; Y106-M144 HydrophobicContact CD1-CG 4.17Å; Y106-M144 HydrophobicContact CE1-CB 4.03Å; Y106-M144 HydrophobicContact CE1-CE 4.17Å; Y106-M144 HydrophobicContact CE1-CG 3.95Å; Y106-D146 WeakPolarHBondContact OH-CB 3.4Å; Y106-D146 PolarHBondContact OH-OD2 2.88Å; Y106-L149 HydrophobicContact CE2-CD2 4.35Å
107	S	96.7	Very high	96.2	Very high	29 Å²	29	58.1 Å²	58.1	20%	0.203	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-47.4	-179.4	-61.5	0	0	0	0	112.1	K103 D104 K110 K111 M144	K103-S107 PolarHBondContact O-N 3.31Å; K103-S107 PolarHBondContact O-OG 2.88Å; D104-S107 PolarHBondContact O-N 3.03Å; S107-K110 PolarHBondContact O-N 2.98Å; S107-K111 PolarHBondContact O-N 2.77Å; S107-M144 PolarHBondContact OG-SD 2.91Å
108	A	97.4	Very high	96.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-43.7	175.4	0	0	0	0	0	111.5	L78 A82 V83 L86 D104 K110 K111 L112	L78-A108 HydrophobicContact CD1-CB 4.33Å; L78-A108 HydrophobicContact CD2-CB 4.07Å; A82-A108 HydrophobicContact CB-CB 4.39Å; V83-A108 HydrophobicContact CG2-CB 4.31Å; L86-A108 HydrophobicContact CD1-CB 3.56Å; D104-A108 WeakPolarHBondContact O-CB 3.47Å; D104-A108 PolarHBondContact O-N 3.2Å; A108-K110 PolarHBondContact O-N 2.9Å; A108-K111 PolarHBondContact O-N 3.49Å; A108-L112 WeakPolarHBondContact O-CB 3.32Å; A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.33Å; A108-L112 PolarHBondContact O-N 2.87Å
109	A	97.8	Very high	96.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-42.6	178.5	0	0	0	0	0	111.6	L86 V105 Y106 L112 K113 M114 V117 K118	L86-A109 HydrophobicContact CD1-CB 4.29Å; L86-A109 HydrophobicContact CD2-CB 4.13Å; V105-A109 WeakPolarHBondContact O-CB 3.37Å; V105-A109 PolarHBondContact O-N 3.38Å; Y106-A109 PolarHBondContact O-N 3.44Å; A109-L112 CarbonylContact O-C 3.58Å; A109-L112 PolarHBondContact O-N 3.16Å; A109-K113 PolarHBondContact O-N 2.8Å; A109-K113 VanDerWaalsContact O-N 3.1Å; A109-M114 HydrophobicContact CB-CB 4.19Å; A109-M114 PolarHBondContact O-N 3.1Å; A109-V117 HydrophobicContact CB-CB 4.08Å; A109-V117 HydrophobicContact CB-CG1 3.91Å; A109-K118 HydrophobicContact CB-CB 4.22Å
110	K	96	Very high	96.5	Very high	87 Å²	87	54 Å²	54	38%	0.378	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-48.3	174.5	-173	-160.1	170.3	-164.5	0	110.8	Y106 S107 A108 L112 K113 K118 M144	Y106-K110 PolarHBondContact O-N 3.05Å; S107-K110 PolarHBondContact O-N 2.98Å; A108-K110 PolarHBondContact O-N 2.9Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 3.45Å; K110-K113 PolarHBondContact O-N 3.34Å; K110-K118 HydrophobicContact CB-CD 4Å; K110-K118 HydrophobicContact CB-CG 4.34Å; K110-K118 HydrophobicContact CG-CD 4.05Å; K110-M144 HydrophobicContact CB-CE 3.97Å; K110-M144 HydrophobicContact CD-CE 3.35Å; K110-M144 VanDerWaalsContact CE-O 3.24Å; K110-M144 WeakPolarHBondContact CE-O 3.37Å; K110-M144 HydrophobicContact CG-CE 4.27Å; K110-M144 PolarHBondContact NZ-O 3.17Å
111	K	95.2	Very high	96.7	Very high	66 Å²	66	45.2 Å²	45.2	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-60.8	-41.6	-179.7	-175.3	165.5	-175.8	170	0	111.9	F75 D77 L78 S107 A108 K113	F75-K111 HydrophobicContact CD1-CD 4.48Å; D77-K111 IonicContact OD1-NZ 3.71Å; D77-K111 PolarHBondContact OD1-NZ 2.81Å; D77-K111 IonicContact OD2-NZ 2.54Å; D77-K111 PolarHBondContact OD2-NZ 3.37Å; L78-K111 HydrophobicContact CD1-CD 4.15Å; L78-K111 HydrophobicContact CD2-CB 4.38Å; L78-K111 HydrophobicContact CD2-CD 3.88Å; L78-K111 HydrophobicContact CG-CD 4.1Å; S107-K111 PolarHBondContact O-N 2.77Å; A108-K111 PolarHBondContact O-N 3.49Å; K111-K113 PolarHBondContact O-N 3.14Å
112	L	96.1	Very high	96.7	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	8.2	177.6	-61.5	177.9	0	0	0	113.3	S54 Y56 L57 F75 L86 A108 A109 K110 M114	S54-L112 WeakPolarHBondContact CB-O 3.34Å; S54-L112 PolarHBondContact OG-O 2.71Å; Y56-L112 HydrophobicContact CD1-CD2 3.87Å; Y56-L112 HydrophobicContact CE1-CD2 4.33Å; L57-L112 HydrophobicContact CD1-CD2 4.37Å; L57-L112 HydrophobicContact CD2-CD2 4.31Å; L57-L112 HydrophobicContact CG-CD2 4.18Å; F75-L112 HydrophobicContact CE1-CD2 3.91Å; F75-L112 HydrophobicContact CE2-CD2 4.24Å; F75-L112 HydrophobicContact CZ-CD2 3.52Å; L86-L112 HydrophobicContact CD1-CD1 3.85Å; A108-L112 WeakPolarHBondContact O-CB 3.32Å; A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.33Å; A108-L112 PolarHBondContact O-N 2.87Å; A109-L112 CarbonylContact O-C 3.58Å; A109-L112 PolarHBondContact O-N 3.16Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 3.45Å; L112-M114 HydrophobicContact CB-CG 4.01Å; L112-M114 HydrophobicContact CB-SD 4.28Å; L112-M114 HydrophobicContact CD1-SD 4.49Å; L112-M114 PolarHBondContact O-N 2.87Å
113	K	96.7	Very high	96.6	Very high	82 Å²	82	47 Å²	47	36%	0.357	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	32.9	-178.5	-61.9	177.5	178.7	172	0	113.6	P55 E59 A109 K110 K111 D115	P55-K113 HydrophobicContact CB-CB 4.19Å; P55-K113 HydrophobicContact CB-CD 4.2Å; P55-K113 VanDerWaalsContact CD-O 3.29Å; P55-K113 WeakPolarHBondContact CD-O 3.46Å; P55-K113 HydrophobicContact CG-CB 4.22Å; E59-K113 IonicContact OE1-NZ 3.16Å; E59-K113 PolarHBondContact OE1-NZ 2.93Å; E59-K113 VanDerWaalsContact OE1-NZ 3.11Å; E59-K113 IonicContact OE2-NZ 2.75Å; E59-K113 PolarHBondContact OE2-NZ 3.23Å; A109-K113 PolarHBondContact O-N 2.8Å; A109-K113 VanDerWaalsContact O-N 3.1Å; K110-K113 PolarHBondContact O-N 3.34Å; K111-K113 PolarHBondContact O-N 3.14Å; K113-D115 PolarHBondContact O-N 3.02Å
114	M	97.4	Very high	96.6	Very high	14 Å²	14	48 Å²	48	7%	0.069	23%	0.226	C	C	.	.			trans	-88.4	71.7	177.2	-60.5	-175.7	72.2	0	0	110.8	C53 L86 Y89 A109 L112 R116 V117 K118	C53-M114 HydrophobicContact CB-CE 4.13Å; L86-M114 HydrophobicContact CB-SD 4.12Å; L86-M114 HydrophobicContact CD1-SD 4.13Å; L86-M114 HydrophobicContact CD2-SD 4.21Å; L86-M114 HydrophobicContact CG-SD 4.39Å; Y89-M114 HydrophobicContact CD1-CE 3.71Å; Y89-M114 HydrophobicContact CE1-CE 3.94Å; A109-M114 HydrophobicContact CB-CB 4.19Å; A109-M114 PolarHBondContact O-N 3.1Å; L112-M114 HydrophobicContact CB-CG 4.01Å; L112-M114 HydrophobicContact CB-SD 4.28Å; L112-M114 HydrophobicContact CD1-SD 4.49Å; L112-M114 PolarHBondContact O-N 2.87Å; M114-R116 VanDerWaalsContact C-N 3.35Å; M114-R116 PolarHBondContact O-N 2.68Å; M114-V117 HydrophobicContact CB-CB 4.37Å; M114-V117 HydrophobicContact CE-CG2 4.23Å; M114-V117 PolarHBondContact O-N 3.41Å; M114-V117 VanDerWaalsContact O-N 3.14Å; M114-K118 PolarHBondContact O-N 2.82Å
115	D	94.9	Very high	96.6	Very high	91 Å²	91	45.1 Å²	45.1	49%	0.487	21%	0.211	S	C	.	.	H	α-helix	trans	-60.1	-36.3	-167.1	-75.5	-49.3	0	0	0	115	K113 K118 Q119	K113-D115 PolarHBondContact O-N 3.02Å; D115-K118 PolarHBondContact O-N 3.05Å; D115-K118 IonicContact OD1-NZ 3.6Å; D115-K118 PolarHBondContact OD1-NZ 3.31Å; D115-Q119 WeakPolarHBondContact O-CB 3.42Å; D115-Q119 PolarHBondContact O-N 2.73Å
116	R	95.6	Very high	96.4	Very high	202 Å²	202	46.6 Å²	46.6	76%	0.762	22%	0.219	S	C	*	.	H	α-helix	trans	-63.1	-44.7	177	-72	-173.5	176.9	-174.3	-0.6	111.8	M114 Q119 V120	M114-R116 VanDerWaalsContact C-N 3.35Å; M114-R116 PolarHBondContact O-N 2.68Å; R116-Q119 PolarHBondContact O-N 2.85Å; R116-V120 WeakPolarHBondContact O-CG2 3.49Å; R116-V120 PolarHBondContact O-N 2.97Å
117	V	97.2	Very high	96.3	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-45.5	178.3	177.9	0	0	0	0	110.2	L86 Y89 L95 V105 A109 M114 Q119 V120 C121	L86-V117 HydrophobicContact CD2-CB 4.31Å; L86-V117 HydrophobicContact CD2-CG1 3.54Å; L86-V117 HydrophobicContact CD2-CG2 4.5Å; Y89-V117 HydrophobicContact CD1-CG2 3.6Å; Y89-V117 HydrophobicContact CD2-CG2 4.38Å; Y89-V117 HydrophobicContact CE1-CG2 3.32Å; Y89-V117 HydrophobicContact CE2-CG2 4.16Å; Y89-V117 HydrophobicContact CG-CG2 4.11Å; L95-V117 HydrophobicContact CD1-CG1 3.63Å; L95-V117 HydrophobicContact CD1-CG2 4.49Å; L95-V117 HydrophobicContact CD2-CG1 3.8Å; L95-V117 HydrophobicContact CG-CG1 4.38Å; V105-V117 HydrophobicContact CG1-CG1 4.22Å; A109-V117 HydrophobicContact CB-CB 4.08Å; A109-V117 HydrophobicContact CB-CG1 3.91Å; M114-V117 HydrophobicContact CB-CB 4.37Å; M114-V117 HydrophobicContact CE-CG2 4.23Å; M114-V117 PolarHBondContact O-N 3.41Å; M114-V117 VanDerWaalsContact O-N 3.14Å; V117-Q119 VanDerWaalsContact C-N 3.28Å; V117-Q119 PolarHBondContact O-N 2.88Å; V117-V120 PolarHBondContact O-N 3.26Å; V117-C121 WeakPolarHBondContact O-CB 3.37Å; V117-C121 PolarHBondContact O-N 3.27Å; V117-C121 PolarHBondContact O-SG 2.87Å; V117-C121 VanDerWaalsContact O-SG 3.37Å
118	K	96.4	Very high	96.1	Very high	42 Å²	42	55.3 Å²	55.3	18%	0.183	26%	0.26	C	S	.	.	H	α-helix	trans	-52.1	-47.9	173.8	-175.7	-167.1	78.1	-164.4	0	111.3	Y106 A109 K110 M114 D115 C121 G122	Y106-K118 HydrophobicContact CD2-CG 4.17Å; Y106-K118 VanDerWaalsContact CD2-O 3.31Å; Y106-K118 WeakPolarHBondContact CD2-O 3.35Å; Y106-K118 HydrophobicContact CE1-CG 4.12Å; Y106-K118 HydrophobicContact CE2-CG 3.68Å; Y106-K118 WeakPolarHBondContact CE2-O 3.39Å; A109-K118 HydrophobicContact CB-CB 4.22Å; K110-K118 HydrophobicContact CB-CD 4Å; K110-K118 HydrophobicContact CB-CG 4.34Å; K110-K118 HydrophobicContact CG-CD 4.05Å; M114-K118 PolarHBondContact O-N 2.82Å; D115-K118 PolarHBondContact O-N 3.05Å; D115-K118 IonicContact OD1-NZ 3.6Å; D115-K118 PolarHBondContact OD1-NZ 3.31Å; K118-C121 PolarHBondContact O-N 3.02Å; K118-G122 PolarHBondContact O-N 2.96Å
119	Q	95.4	Very high	96	Very high	91 Å²	91	56.4 Å²	56.4	43%	0.425	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-48.4	178.8	175.9	168.5	0.6	0	0	112.3	D115 R116 V117 G122 D123	D115-Q119 WeakPolarHBondContact O-CB 3.42Å; D115-Q119 PolarHBondContact O-N 2.73Å; R116-Q119 PolarHBondContact O-N 2.85Å; V117-Q119 VanDerWaalsContact C-N 3.28Å; V117-Q119 PolarHBondContact O-N 2.88Å; Q119-G122 PolarHBondContact O-N 3.06Å; Q119-D123 PolarHBondContact O-N 2.95Å
120	V	96.9	Very high	95.8	Very high	85 Å²	85	59.7 Å²	59.7	52%	0.515	28%	0.283	S	S	.	.	H	α-helix	trans	-62.7	-43.6	179.4	171.6	0	0	0	0	111.3	L95 R116 V117 G122 D123 Y124	L95-V120 HydrophobicContact CD2-CG1 4.14Å; R116-V120 WeakPolarHBondContact O-CG2 3.49Å; R116-V120 PolarHBondContact O-N 2.97Å; V117-V120 PolarHBondContact O-N 3.26Å; V120-G122 VanDerWaalsContact C-N 3.34Å; V120-G122 PolarHBondContact O-N 3.48Å; V120-D123 PolarHBondContact O-N 2.97Å; V120-Y124 WeakPolarHBondContact O-CB 3.48Å; V120-Y124 PolarHBondContact O-N 2.53Å
121	C	97.6	Very high	95.8	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.027	27%	0.273	C	S	.	.	H	α-helix	trans	-61.2	-43	174.3	-69.2	0	0	0	0	111.4	V102 Y106 V117 K118 Y124 L125	V102-C121 HydrophobicContact CG1-CB 3.92Å; Y106-C121 HydrophobicContact CD2-CB 3.74Å; Y106-C121 HydrophobicContact CG-CB 4.35Å; V117-C121 WeakPolarHBondContact O-CB 3.37Å; V117-C121 PolarHBondContact O-N 3.27Å; V117-C121 PolarHBondContact O-SG 2.87Å; V117-C121 VanDerWaalsContact O-SG 3.37Å; K118-C121 PolarHBondContact O-N 3.02Å; C121-Y124 PolarHBondContact O-N 3.18Å; C121-L125 VanDerWaalsContact O-CG 3.29Å; C121-L125 WeakPolarHBondContact O-CG 3.15Å; C121-L125 PolarHBondContact O-N 3.45Å
122	G	96.4	Very high	95.7	Very high	5 Å²	5	57.3 Å²	57.3	5%	0.052	28%	0.282	C	S	.	.	H	α-helix	trans	-63.1	-43.4	177.5	0	0	0	0	0	113	K118 Q119 V120 L125 L126	K118-G122 PolarHBondContact O-N 2.96Å; Q119-G122 PolarHBondContact O-N 3.06Å; V120-G122 VanDerWaalsContact C-N 3.34Å; V120-G122 PolarHBondContact O-N 3.48Å; G122-L125 PolarHBondContact O-N 2.91Å; G122-L126 WeakPolarHBondContact O-CG 3.41Å; G122-L126 PolarHBondContact O-N 3.39Å
123	D	95.9	Very high	95.6	Very high	58 Å²	58	58 Å²	58	31%	0.31	29%	0.287	S	S	.	.	H	α-helix	trans	-66.9	-37	176.6	-71	-31.3	0	0	0	111.7	Q119 V120 L126 S127 R148 K152	Q119-D123 PolarHBondContact O-N 2.95Å; V120-D123 PolarHBondContact O-N 2.97Å; D123-L126 PolarHBondContact O-N 2.79Å; D123-S127 PolarHBondContact O-N 3.42Å; D123-R148 IonicContact OD1-CZ 2.72Å; D123-R148 IonicContact OD1-NH2 2.82Å; D123-R148 PolarHBondContact OD1-NH2 2.84Å; D123-R148 IonicContact OD2-NH2 2.81Å; D123-R148 PolarHBondContact OD2-NH2 2.86Å; D123-K152 IonicContact OD1-NZ 3.68Å
124	Y	96.3	Very high	95.5	Very high	76 Å²	76	54.1 Å²	54.1	30%	0.298	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-48.3	171.2	177	-90.2	0	0	0	111.8	K99 V102 V120 C121 L126 S127 R128	K99-Y124 WeakPolarHBondContact CG-OH 3.38Å; V102-Y124 HydrophobicContact CB-CD1 4.26Å; V102-Y124 HydrophobicContact CB-CE1 4.38Å; V102-Y124 HydrophobicContact CG1-CD1 3.83Å; V102-Y124 HydrophobicContact CG1-CE1 4.44Å; V102-Y124 HydrophobicContact CG2-CD1 3.95Å; V102-Y124 HydrophobicContact CG2-CE1 3.79Å; V120-Y124 WeakPolarHBondContact O-CB 3.48Å; V120-Y124 PolarHBondContact O-N 2.53Å; C121-Y124 PolarHBondContact O-N 3.18Å; Y124-L126 VanDerWaalsContact C-N 3.32Å; Y124-L126 PolarHBondContact O-N 2.87Å; Y124-S127 PolarHBondContact O-N 3.22Å; Y124-S127 VanDerWaalsContact O-N 3.09Å; Y124-S127 PolarHBondContact O-OG 2.9Å; Y124-R128 HydrophobicContact CD1-CG 4.24Å; Y124-R128 HydrophobicContact CE1-CG 3.78Å; Y124-R128 HydrophobicContact CE2-CG 4.08Å; Y124-R128 WeakPolarHBondContact O-CG 3.48Å; Y124-R128 PolarHBondContact O-N 2.81Å
125	L	95.6	Very high	95.3	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-57	-47.3	177.5	-69.7	171.6	0	0	0	110.5	V102 K103 Y106 C121 G122 S127 R128 M129 Y137 F140	V102-L125 HydrophobicContact CB-CD2 4.36Å; V102-L125 HydrophobicContact CG1-CD2 4.08Å; V102-L125 HydrophobicContact CG1-CG 4.08Å; K103-L125 HydrophobicContact CG-CD1 4.37Å; K103-L125 HydrophobicContact CG-CD2 4Å; Y106-L125 HydrophobicContact CD2-CD1 4.41Å; C121-L125 VanDerWaalsContact O-CG 3.29Å; C121-L125 WeakPolarHBondContact O-CG 3.15Å; C121-L125 PolarHBondContact O-N 3.45Å; G122-L125 PolarHBondContact O-N 2.91Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 2.93Å; L125-R128 PolarHBondContact O-N 3.15Å; L125-M129 PolarHBondContact O-N 2.54Å; L125-M129 VanDerWaalsContact O-N 3.14Å; L125-Y137 HydrophobicContact CB-CD2 4.5Å; L125-Y137 HydrophobicContact CB-CE2 4.23Å; L125-Y137 HydrophobicContact CD2-CE2 4.46Å; L125-Y137 WeakPolarHBondContact O-CE2 3.41Å; L125-F140 HydrophobicContact CD1-CD1 4.35Å; L125-F140 HydrophobicContact CD1-CE1 3.85Å
126	L	94.6	Very high	95.2	Very high	31 Å²	31	51.6 Å²	51.6	16%	0.162	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-38.7	176.1	-71.8	164.7	0	0	0	113	G122 D123 Y124 R128 M129 L149 K152 V153	G122-L126 WeakPolarHBondContact O-CG 3.41Å; G122-L126 PolarHBondContact O-N 3.39Å; D123-L126 PolarHBondContact O-N 2.79Å; Y124-L126 VanDerWaalsContact C-N 3.32Å; Y124-L126 PolarHBondContact O-N 2.87Å; L126-R128 PolarHBondContact O-N 2.86Å; L126-M129 HydrophobicContact CD2-CE 4.21Å; L126-M129 PolarHBondContact O-N 3.21Å; L126-L149 HydrophobicContact CD1-CD1 3.77Å; L126-L149 HydrophobicContact CD2-CD1 3.75Å; L126-L149 HydrophobicContact CG-CD1 3.5Å; L126-K152 HydrophobicContact CD1-CB 4.19Å; L126-K152 HydrophobicContact CD1-CD 3.4Å; L126-K152 VanDerWaalsContact CD1-CD 3.4Å; L126-K152 HydrophobicContact CD1-CG 4.45Å; L126-K152 HydrophobicContact CD2-CB 3.74Å; L126-K152 HydrophobicContact CD2-CD 4.44Å; L126-V153 HydrophobicContact CD2-CG2 3.99Å
127	S	95.1	Very high	95.2	Very high	85 Å²	85	43.8 Å²	43.8	59%	0.594	23%	0.231	S	C	*	.	H	α-helix	trans	-69.9	-16	178.5	77.6	0	0	0	0	114.5	D123 Y124 L125	D123-S127 PolarHBondContact O-N 3.42Å; Y124-S127 PolarHBondContact O-N 3.22Å; Y124-S127 VanDerWaalsContact O-N 3.09Å; Y124-S127 PolarHBondContact O-OG 2.9Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 2.93Å
128	R	93.5	Very high	95	Very high	131 Å²	131	43.9 Å²	43.9	49%	0.494	23%	0.231	S	C	.	.	H	α-helix	trans	-106.8	-3.5	-179.4	-61.6	-59.1	-62.7	-178.5	2.9	112.9	Y124 L125 L126	Y124-R128 HydrophobicContact CD1-CG 4.24Å; Y124-R128 HydrophobicContact CE1-CG 3.78Å; Y124-R128 HydrophobicContact CE2-CG 4.08Å; Y124-R128 WeakPolarHBondContact O-CG 3.48Å; Y124-R128 PolarHBondContact O-N 2.81Å; L125-R128 PolarHBondContact O-N 3.15Å; L126-R128 PolarHBondContact O-N 2.86Å
129	M	94.4	Very high	94.8	Very high	23 Å²	23	45 Å²	45	11%	0.113	24%	0.239	C	C	.	.			trans	-70.8	139.8	-180	-172.2	173.3	58.8	0	0	110.5	L125 L126 C134 Y137 V153 Y156	L125-M129 PolarHBondContact O-N 2.54Å; L125-M129 VanDerWaalsContact O-N 3.14Å; L126-M129 HydrophobicContact CD2-CE 4.21Å; L126-M129 PolarHBondContact O-N 3.21Å; M129-C134 HydrophobicContact CG-CB 3.99Å; M129-C134 HydrophobicContact SD-CB 3.95Å; M129-Y137 HydrophobicContact CB-CD2 3.77Å; M129-Y137 HydrophobicContact CB-CE2 3.92Å; M129-Y137 HydrophobicContact CG-CD2 3.85Å; M129-Y137 HydrophobicContact CG-CE2 4.39Å; M129-Y137 HydrophobicContact SD-CD2 4.21Å; M129-V153 HydrophobicContact CE-CG2 4.44Å; M129-V153 HydrophobicContact SD-CB 4.2Å; M129-V153 HydrophobicContact SD-CG1 3.84Å; M129-V153 HydrophobicContact SD-CG2 3.81Å; M129-Y156 VanDerWaalsContact CE-CB 3.45Å; M129-Y156 HydrophobicContact CE-CD1 3.84Å; M129-Y156 HydrophobicContact CE-CD2 3.82Å; M129-Y156 HydrophobicContact CE-CG 3.42Å; M129-Y156 VanDerWaalsContact CE-CG 3.42Å; M129-Y156 HydrophobicContact SD-CD1 4.35Å; M129-Y156 HydrophobicContact SD-CG 4.49Å
130	D	94.8	Very high	94.7	Very high	68 Å²	68	42.1 Å²	42.1	36%	0.364	23%	0.226	S	C	.	.			trans	-139.3	-178.7	174.2	58.3	32.2	0	0	0	110.1	T132 S133 C134	D130-T132 PolarHBondContact O-N 2.93Å; D130-T132 PolarHBondContact OD1-N 3.12Å; D130-T132 VanDerWaalsContact OD1-N 3.09Å; D130-T132 PolarHBondContact OD1-OG1 3.07Å; D130-S133 PolarHBondContact N-OG 2.77Å; D130-S133 PolarHBondContact O-N 3.49Å; D130-S133 PolarHBondContact O-OG 2.85Å; D130-S133 WeakPolarHBondContact OD1-CB 3.33Å; D130-S133 PolarHBondContact OD1-N 3.37Å; D130-S133 PolarHBondContact OD1-OG 2.88Å; D130-C134 WeakPolarHBondContact O-CB 3.3Å; D130-C134 PolarHBondContact O-N 3.13Å
131	V	94.8	Very high	94.5	Very high	29 Å²	29	38.1 Å²	38.1	18%	0.176	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.4	-179.1	-63.5	0	0	0	0	112.8	C134 Y156 H160 Q163 I164	V131-C134 PolarHBondContact O-SG 2.99Å; V131-Y156 PolarHBondContact N-OH 2.95Å; V131-H160 HydrophobicContact CG1-CB 4.25Å; V131-Q163 HydrophobicContact CG1-CB 4.18Å; V131-I164 HydrophobicContact CB-CG1 4.14Å; V131-I164 HydrophobicContact CG1-CG1 4.28Å
132	T	94.6	Very high	94.2	Very high	75 Å²	75	40.2 Å²	40.2	46%	0.46	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-28.3	-178	73.6	0	0	0	0	113.1	D130	D130-T132 PolarHBondContact O-N 2.93Å; D130-T132 PolarHBondContact OD1-N 3.12Å; D130-T132 VanDerWaalsContact OD1-N 3.09Å; D130-T132 PolarHBondContact OD1-OG1 3.07Å
133	S	93.1	Very high	93.9	Very high	20 Å²	20	45.3 Å²	45.3	14%	0.14	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-14.3	-171.4	56.2	0	0	0	0	114.5	D130 I135 S136 Y137	D130-S133 PolarHBondContact N-OG 2.77Å; D130-S133 PolarHBondContact O-N 3.49Å; D130-S133 PolarHBondContact O-OG 2.85Å; D130-S133 WeakPolarHBondContact OD1-CB 3.33Å; D130-S133 PolarHBondContact OD1-N 3.37Å; D130-S133 PolarHBondContact OD1-OG 2.88Å; S133-I135 PolarHBondContact O-N 2.77Å; S133-S136 WeakPolarHBondContact O-CB 3.35Å; S133-S136 PolarHBondContact O-N 2.75Å; S133-S136 VanDerWaalsContact O-N 3.16Å; S133-Y137 PolarHBondContact O-N 2.81Å
134	C	94.7	Very high	93.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-40.7	-173.2	65.2	0	0	0	0	114.1	M129 D130 V131 Y137 R138 V153 Y156 I157 I164	M129-C134 HydrophobicContact CG-CB 3.99Å; M129-C134 HydrophobicContact SD-CB 3.95Å; D130-C134 WeakPolarHBondContact O-CB 3.3Å; D130-C134 PolarHBondContact O-N 3.13Å; V131-C134 PolarHBondContact O-SG 2.99Å; C134-Y137 PolarHBondContact O-N 3.03Å; C134-R138 WeakPolarHBondContact O-CB 3.41Å; C134-R138 PolarHBondContact O-N 2.72Å; C134-V153 WeakPolarHBondContact O-CG1 3.49Å; C134-Y156 HydrophobicContact CB-CD1 4.05Å; C134-Y156 HydrophobicContact CB-CE1 4.2Å; C134-I157 HydrophobicContact CB-CG1 4.07Å; C134-I164 VanDerWaalsContact SG-CD1 3.55Å
135	I	94	Very high	93.3	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-43.9	178.1	-67.9	170.5	0	0	0	110.9	S133 Y137 R138 N139 I164 E169 F170 L173 F312	S133-I135 PolarHBondContact O-N 2.77Å; I135-Y137 VanDerWaalsContact C-N 3.29Å; I135-Y137 PolarHBondContact O-N 2.78Å; I135-R138 WeakPolarHBondContact O-CB 3.16Å; I135-R138 PolarHBondContact O-N 3.46Å; I135-N139 PolarHBondContact O-N 2.94Å; I135-I164 HydrophobicContact CD1-CG2 4.09Å; I135-I164 HydrophobicContact CG1-CG2 4.44Å; I135-E169 HydrophobicContact CD1-CB 4.18Å; I135-F170 HydrophobicContact CD1-CB 3.81Å; I135-F170 HydrophobicContact CD1-CD2 4.32Å; I135-L173 HydrophobicContact CD1-CD1 4.21Å; I135-F312 HydrophobicContact CG1-CE1 4.42Å; I135-F312 HydrophobicContact CG2-CE1 4.05Å
136	S	93	Very high	92.9	Very high	48 Å²	48	43.9 Å²	43.9	34%	0.336	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-41	175.7	-178.5	0	0	0	0	111.5	K103 S133 F140	K103-S136 PolarHBondContact NZ-OG 3.3Å; S133-S136 WeakPolarHBondContact O-CB 3.35Å; S133-S136 PolarHBondContact O-N 2.75Å; S133-S136 VanDerWaalsContact O-N 3.16Å; S136-F140 WeakPolarHBondContact O-CB 3.48Å; S136-F140 PolarHBondContact O-N 3.34Å
137	Y	93.9	Very high	92.7	Very high	38 Å²	38	46.2 Å²	46.2	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-72.2	-33.4	179.5	-75.6	13.2	0	0	0	112	L125 M129 S133 C134 I135 F140 A141	L125-Y137 HydrophobicContact CB-CD2 4.5Å; L125-Y137 HydrophobicContact CB-CE2 4.23Å; L125-Y137 HydrophobicContact CD2-CE2 4.46Å; L125-Y137 WeakPolarHBondContact O-CE2 3.41Å; M129-Y137 HydrophobicContact CB-CD2 3.77Å; M129-Y137 HydrophobicContact CB-CE2 3.92Å; M129-Y137 HydrophobicContact CG-CD2 3.85Å; M129-Y137 HydrophobicContact CG-CE2 4.39Å; M129-Y137 HydrophobicContact SD-CD2 4.21Å; S133-Y137 PolarHBondContact O-N 2.81Å; C134-Y137 PolarHBondContact O-N 3.03Å; I135-Y137 VanDerWaalsContact C-N 3.29Å; I135-Y137 PolarHBondContact O-N 2.78Å; Y137-F140 PolarHBondContact O-N 3.39Å; Y137-A141 WeakPolarHBondContact O-CB 3.38Å; Y137-A141 PolarHBondContact O-N 3.2Å
138	R	93.9	Very high	92.6	Very high	4 Å²	4	47 Å²	47	2%	0.015	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-50.2	173.2	-165.7	-166.6	179.6	-80.8	-17.9	111.3	C134 I135 F140 A141 S142 L150 V153 D154 I157 F312	C134-R138 WeakPolarHBondContact O-CB 3.41Å; C134-R138 PolarHBondContact O-N 2.72Å; I135-R138 WeakPolarHBondContact O-CB 3.16Å; I135-R138 PolarHBondContact O-N 3.46Å; R138-F140 VanDerWaalsContact C-N 3.29Å; R138-F140 PolarHBondContact O-N 3.31Å; R138-A141 PolarHBondContact O-N 2.71Å; R138-A141 VanDerWaalsContact O-N 3.16Å; R138-S142 WeakPolarHBondContact O-CB 3.39Å; R138-S142 PolarHBondContact O-N 2.96Å; R138-L150 HydrophobicContact CG-CD1 3.73Å; R138-V153 HydrophobicContact CB-CG1 3.63Å; R138-V153 HydrophobicContact CG-CG1 4.14Å; R138-D154 WeakPolarHBondContact CD-OD1 3.4Å; R138-D154 IonicContact CZ-OD1 2.73Å; R138-D154 IonicContact NE-OD1 2.75Å; R138-D154 PolarHBondContact NE-OD1 2.81Å; R138-D154 IonicContact NH2-OD1 2.68Å; R138-D154 PolarHBondContact NH2-OD1 2.81Å; R138-D154 IonicContact NH2-OD2 2.83Å; R138-I157 HydrophobicContact CB-CD1 4.11Å; R138-I157 HydrophobicContact CG-CD1 4.19Å; R138-F312 VanDerWaalsContact CD-CZ 3.45Å
139	N	92.2	Very high	92.6	Very high	66 Å²	66	41.1 Å²	41.1	35%	0.353	25%	0.248	S	C	.	.	H	α-helix	trans	-59.6	-43.8	178	-71.1	-15.6	0	0	0	110.6	I135 S142 C143	I135-N139 PolarHBondContact O-N 2.94Å; N139-S142 PolarHBondContact O-N 3.27Å; N139-C143 PolarHBondContact O-N 2.77Å; N139-C143 PolarHBondContact O-SG 3Å
140	F	93.5	Very high	92.5	Very high	31 Å²	31	40.8 Å²	40.8	14%	0.136	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-51.9	172.5	176.9	-103.4	0	0	0	112	K103 Y106 L125 S136 Y137 R138 S142 C143 M144 L149	K103-F140 HydrophobicContact CB-CD2 4.41Å; K103-F140 HydrophobicContact CB-CE2 3.89Å; K103-F140 HydrophobicContact CB-CZ 4.02Å; K103-F140 HydrophobicContact CD-CD2 4.27Å; K103-F140 HydrophobicContact CD-CG 4.4Å; K103-F140 HydrophobicContact CG-CD2 4.42Å; K103-F140 HydrophobicContact CG-CE1 4.45Å; K103-F140 HydrophobicContact CG-CE2 4.28Å; K103-F140 HydrophobicContact CG-CZ 4.29Å; K103-F140 WeakPolarHBondContact O-CZ 3.41Å; Y106-F140 AromaticContact CD1-CE1 3.72Å; Y106-F140 HydrophobicContact CD1-CE1 3.72Å; Y106-F140 AromaticContact CD1-CZ 3.57Å; Y106-F140 HydrophobicContact CD1-CZ 3.57Å; Y106-F140 HydrophobicContact CE1-CE1 4.14Å; Y106-F140 HydrophobicContact CE1-CZ 4.31Å; Y106-F140 HydrophobicContact CG-CE1 4.05Å; Y106-F140 HydrophobicContact CG-CZ 4Å; L125-F140 HydrophobicContact CD1-CD1 4.35Å; L125-F140 HydrophobicContact CD1-CE1 3.85Å; S136-F140 WeakPolarHBondContact O-CB 3.48Å; S136-F140 PolarHBondContact O-N 3.34Å; Y137-F140 PolarHBondContact O-N 3.39Å; R138-F140 VanDerWaalsContact C-N 3.29Å; R138-F140 PolarHBondContact O-N 3.31Å; F140-S142 VanDerWaalsContact C-N 3.29Å; F140-S142 PolarHBondContact O-N 2.89Å; F140-C143 PolarHBondContact O-N 3.49Å; F140-M144 HydrophobicContact CD1-CG 4.26Å; F140-M144 HydrophobicContact CD2-CG 4.11Å; F140-M144 HydrophobicContact CE1-CG 3.89Å; F140-M144 HydrophobicContact CE2-CG 3.73Å; F140-M144 HydrophobicContact CE2-SD 4.04Å; F140-M144 HydrophobicContact CG-CG 4.36Å; F140-M144 HydrophobicContact CZ-CG 3.62Å; F140-M144 HydrophobicContact CZ-SD 4.24Å; F140-M144 WeakPolarHBondContact O-CB 3.09Å; F140-M144 VanDerWaalsContact O-CG 3.22Å; F140-M144 WeakPolarHBondContact O-CG 3.05Å; F140-M144 PolarHBondContact O-N 3Å; F140-L149 HydrophobicContact CD1-CD2 4.26Å; F140-L149 HydrophobicContact CE1-CD2 4.33Å
141	A	93.3	Very high	92.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-37.6	-179.6	0	0	0	0	0	113	Y137 R138 M144 G145 D146 L149 L150	Y137-A141 WeakPolarHBondContact O-CB 3.38Å; Y137-A141 PolarHBondContact O-N 3.2Å; R138-A141 PolarHBondContact O-N 2.71Å; R138-A141 VanDerWaalsContact O-N 3.16Å; A141-M144 CarbonylContact O-C 3.54Å; A141-M144 PolarHBondContact O-N 3.27Å; A141-G145 PolarHBondContact O-N 3.06Å; A141-D146 PolarHBondContact O-N 3.25Å; A141-D146 VanDerWaalsContact O-N 3.16Å; A141-L149 HydrophobicContact CB-CB 4.09Å; A141-L149 HydrophobicContact CB-CD2 3.83Å; A141-L149 HydrophobicContact CB-CG 3.78Å; A141-L150 HydrophobicContact CB-CB 4.05Å; A141-L150 HydrophobicContact CB-CD1 4.09Å
142	S	91.1	Very high	92.5	Very high	48 Å²	48	45.4 Å²	45.4	34%	0.336	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-50.9	174.8	-174.6	0	0	0	0	111.7	R138 N139 F140 M144 G145	R138-S142 WeakPolarHBondContact O-CB 3.39Å; R138-S142 PolarHBondContact O-N 2.96Å; N139-S142 PolarHBondContact O-N 3.27Å; F140-S142 VanDerWaalsContact C-N 3.29Å; F140-S142 PolarHBondContact O-N 2.89Å; S142-M144 PolarHBondContact O-N 2.85Å; S142-G145 WeakPolarHBondContact O-CA 3.36Å; S142-G145 PolarHBondContact O-N 2.53Å
143	C	89.6	Confident	92.6	Very high	112 Å²	112	41.8 Å²	41.8	76%	0.757	24%	0.243	S	C	*	.	H	α-helix	trans	-57.4	-37.6	173.8	-69.9	0	0	0	0	111.9	N139 F140 G145	N139-C143 PolarHBondContact O-N 2.77Å; N139-C143 PolarHBondContact O-SG 3Å; F140-C143 PolarHBondContact O-N 3.49Å; C143-G145 PolarHBondContact O-N 2.96Å
144	M	90.1	Very high	92.7	Very high	25 Å²	25	41.3 Å²	41.3	12%	0.123	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.4	176.1	-63	-47.1	-60.8	0	0	113.3	Y106 S107 K110 F140 A141 S142 D146	Y106-M144 HydrophobicContact CD1-CE 4.13Å; Y106-M144 HydrophobicContact CD1-CG 4.17Å; Y106-M144 HydrophobicContact CE1-CB 4.03Å; Y106-M144 HydrophobicContact CE1-CE 4.17Å; Y106-M144 HydrophobicContact CE1-CG 3.95Å; S107-M144 PolarHBondContact OG-SD 2.91Å; K110-M144 HydrophobicContact CB-CE 3.97Å; K110-M144 HydrophobicContact CD-CE 3.35Å; K110-M144 VanDerWaalsContact CE-O 3.24Å; K110-M144 WeakPolarHBondContact CE-O 3.37Å; K110-M144 HydrophobicContact CG-CE 4.27Å; K110-M144 PolarHBondContact NZ-O 3.17Å; F140-M144 HydrophobicContact CD1-CG 4.26Å; F140-M144 HydrophobicContact CD2-CG 4.11Å; F140-M144 HydrophobicContact CE1-CG 3.89Å; F140-M144 HydrophobicContact CE2-CG 3.73Å; F140-M144 HydrophobicContact CE2-SD 4.04Å; F140-M144 HydrophobicContact CG-CG 4.36Å; F140-M144 HydrophobicContact CZ-CG 3.62Å; F140-M144 HydrophobicContact CZ-SD 4.24Å; F140-M144 WeakPolarHBondContact O-CB 3.09Å; F140-M144 VanDerWaalsContact O-CG 3.22Å; F140-M144 WeakPolarHBondContact O-CG 3.05Å; F140-M144 PolarHBondContact O-N 3Å; A141-M144 CarbonylContact O-C 3.54Å; A141-M144 PolarHBondContact O-N 3.27Å; S142-M144 PolarHBondContact O-N 2.85Å; M144-D146 PolarHBondContact O-N 3.49Å
145	G	88.8	Confident	92.7	Very high	58 Å²	58	44.2 Å²	44.2	60%	0.598	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	30.9	-179.7	0	0	0	0	0	113.9	A141 S142 C143	A141-G145 PolarHBondContact O-N 3.06Å; S142-G145 WeakPolarHBondContact O-CA 3.36Å; S142-G145 PolarHBondContact O-N 2.53Å; C143-G145 PolarHBondContact O-N 2.96Å
146	D	88.4	Confident	92.9	Very high	25 Å²	25	46.6 Å²	46.6	13%	0.134	27%	0.272	C	S	.	.			trans	-98.8	96.4	-177.7	-166.8	-55.8	0	0	0	109.5	Y106 A141 M144 R148 L149 L150	Y106-D146 WeakPolarHBondContact OH-CB 3.4Å; Y106-D146 PolarHBondContact OH-OD2 2.88Å; A141-D146 PolarHBondContact O-N 3.25Å; A141-D146 VanDerWaalsContact O-N 3.16Å; M144-D146 PolarHBondContact O-N 3.49Å; D146-R148 PolarHBondContact O-N 2.77Å; D146-R148 WeakPolarHBondContact OD1-CB 3.49Å; D146-R148 PolarHBondContact OD1-N 3.5Å; D146-L149 HydrophobicContact CB-CB 4.17Å; D146-L149 PolarHBondContact O-N 3.46Å; D146-L149 PolarHBondContact OD1-N 2.79Å; D146-L150 VanDerWaalsContact O-CB 3.25Å; D146-L150 WeakPolarHBondContact O-CB 3.42Å; D146-L150 PolarHBondContact O-N 3.32Å
147	S	90.3	Very high	93	Very high	81 Å²	81	44.3 Å²	44.3	57%	0.566	26%	0.256	S	S	*	.	H	α-helix	trans	-62.1	-29	-177	-50.4	0	0	0	0	113	N151	S147-N151 VanDerWaalsContact O-CB 3.23Å; S147-N151 WeakPolarHBondContact O-CB 3.4Å; S147-N151 PolarHBondContact O-N 2.79Å; S147-N151 PolarHBondContact O-ND2 2.72Å; S147-N151 VanDerWaalsContact O-ND2 3.16Å
148	R	92.8	Very high	93.1	Very high	101 Å²	101	46 Å²	46	38%	0.381	27%	0.265	S	S	.	.	H	α-helix	trans	-69.8	-49.9	178.6	169.6	-172.2	153.8	169.8	-1.9	110.2	D123 D146 K152	D123-R148 IonicContact OD1-CZ 2.72Å; D123-R148 IonicContact OD1-NH2 2.82Å; D123-R148 PolarHBondContact OD1-NH2 2.84Å; D123-R148 IonicContact OD2-NH2 2.81Å; D123-R148 PolarHBondContact OD2-NH2 2.86Å; D146-R148 PolarHBondContact O-N 2.77Å; D146-R148 WeakPolarHBondContact OD1-CB 3.49Å; D146-R148 PolarHBondContact OD1-N 3.5Å; R148-K152 PolarHBondContact O-N 2.89Å
149	L	92.8	Very high	93.1	Very high	8 Å²	8	53 Å²	53	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-46.7	178.4	-174.7	62.2	0	0	0	109.9	Y106 L126 F140 A141 D146 N151 K152 V153	Y106-L149 HydrophobicContact CE2-CD2 4.35Å; L126-L149 HydrophobicContact CD1-CD1 3.77Å; L126-L149 HydrophobicContact CD2-CD1 3.75Å; L126-L149 HydrophobicContact CG-CD1 3.5Å; F140-L149 HydrophobicContact CD1-CD2 4.26Å; F140-L149 HydrophobicContact CE1-CD2 4.33Å; A141-L149 HydrophobicContact CB-CB 4.09Å; A141-L149 HydrophobicContact CB-CD2 3.83Å; A141-L149 HydrophobicContact CB-CG 3.78Å; D146-L149 HydrophobicContact CB-CB 4.17Å; D146-L149 PolarHBondContact O-N 3.46Å; D146-L149 PolarHBondContact OD1-N 2.79Å; L149-N151 PolarHBondContact O-N 3.06Å; L149-K152 PolarHBondContact O-N 2.89Å; L149-V153 HydrophobicContact CD1-CG2 4.49Å; L149-V153 VanDerWaalsContact O-CG2 3.32Å; L149-V153 WeakPolarHBondContact O-CG2 3.17Å; L149-V153 PolarHBondContact O-N 3.18Å
150	L	93.1	Very high	93.3	Very high	16 Å²	16	51.8 Å²	51.8	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-59.1	-46.6	-179.6	-172	64.2	0	0	0	112.3	R138 A141 D146 K152 V153 D154	R138-L150 HydrophobicContact CG-CD1 3.73Å; A141-L150 HydrophobicContact CB-CB 4.05Å; A141-L150 HydrophobicContact CB-CD1 4.09Å; D146-L150 VanDerWaalsContact O-CB 3.25Å; D146-L150 WeakPolarHBondContact O-CB 3.42Å; D146-L150 PolarHBondContact O-N 3.32Å; L150-K152 VanDerWaalsContact C-N 3.33Å; L150-K152 PolarHBondContact O-N 3.49Å; L150-V153 PolarHBondContact O-N 3.18Å; L150-D154 WeakPolarHBondContact O-CB 3.38Å; L150-D154 VanDerWaalsContact O-CG 3.29Å; L150-D154 PolarHBondContact O-N 2.81Å
151	N	93.6	Very high	93.3	Very high	91 Å²	91	50.4 Å²	50.4	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-36.1	179.7	-72.6	-16.3	0	0	0	112.9	S147 L149 A155	S147-N151 VanDerWaalsContact O-CB 3.23Å; S147-N151 WeakPolarHBondContact O-CB 3.4Å; S147-N151 PolarHBondContact O-N 2.79Å; S147-N151 PolarHBondContact O-ND2 2.72Å; S147-N151 VanDerWaalsContact O-ND2 3.16Å; L149-N151 PolarHBondContact O-N 3.06Å; N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 3.49Å
152	K	95.8	Very high	93.2	Very high	102 Å²	102	54.5 Å²	54.5	44%	0.443	31%	0.306	S	S	.	.	H	α-helix	trans	-70.9	-38.2	176.5	-74	-173.2	174.7	-169	0	112.1	D123 L126 R148 L149 L150 Y156	D123-K152 IonicContact OD1-NZ 3.68Å; L126-K152 HydrophobicContact CD1-CB 4.19Å; L126-K152 HydrophobicContact CD1-CD 3.4Å; L126-K152 VanDerWaalsContact CD1-CD 3.4Å; L126-K152 HydrophobicContact CD1-CG 4.45Å; L126-K152 HydrophobicContact CD2-CB 3.74Å; L126-K152 HydrophobicContact CD2-CD 4.44Å; R148-K152 PolarHBondContact O-N 2.89Å; L149-K152 PolarHBondContact O-N 2.89Å; L150-K152 VanDerWaalsContact C-N 3.33Å; L150-K152 PolarHBondContact O-N 3.49Å; K152-Y156 PolarHBondContact O-N 3.22Å; K152-Y156 VanDerWaalsContact O-N 3.16Å
153	V	96.6	Very high	93.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67	-45.3	174.4	178.1	0	0	0	0	110.6	L126 M129 C134 R138 L149 L150 A155 Y156 I157	L126-V153 HydrophobicContact CD2-CG2 3.99Å; M129-V153 HydrophobicContact CE-CG2 4.44Å; M129-V153 HydrophobicContact SD-CB 4.2Å; M129-V153 HydrophobicContact SD-CG1 3.84Å; M129-V153 HydrophobicContact SD-CG2 3.81Å; C134-V153 WeakPolarHBondContact O-CG1 3.49Å; R138-V153 HydrophobicContact CB-CG1 3.63Å; R138-V153 HydrophobicContact CG-CG1 4.14Å; L149-V153 HydrophobicContact CD1-CG2 4.49Å; L149-V153 VanDerWaalsContact O-CG2 3.32Å; L149-V153 WeakPolarHBondContact O-CG2 3.17Å; L149-V153 PolarHBondContact O-N 3.18Å; L150-V153 PolarHBondContact O-N 3.18Å; V153-A155 VanDerWaalsContact C-N 3.32Å; V153-A155 PolarHBondContact O-N 3.43Å; V153-Y156 WeakPolarHBondContact O-CB 3.45Å; V153-Y156 PolarHBondContact O-N 2.88Å; V153-I157 HydrophobicContact CG1-CD1 3.88Å; V153-I157 HydrophobicContact CG1-CG1 4.39Å; V153-I157 WeakPolarHBondContact O-CG1 3.43Å; V153-I157 PolarHBondContact O-N 3.48Å
154	D	95.8	Very high	93.6	Very high	10 Å²	10	52.2 Å²	52.2	5%	0.053	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-41.7	176.9	-74.9	-8.1	0	0	0	111.6	R138 L150 I157 Q158 K290 V292	R138-D154 WeakPolarHBondContact CD-OD1 3.4Å; R138-D154 IonicContact CZ-OD1 2.73Å; R138-D154 IonicContact NE-OD1 2.75Å; R138-D154 PolarHBondContact NE-OD1 2.81Å; R138-D154 IonicContact NH2-OD1 2.68Å; R138-D154 PolarHBondContact NH2-OD1 2.81Å; R138-D154 IonicContact NH2-OD2 2.83Å; L150-D154 WeakPolarHBondContact O-CB 3.38Å; L150-D154 VanDerWaalsContact O-CG 3.29Å; L150-D154 PolarHBondContact O-N 2.81Å; D154-I157 PolarHBondContact O-N 2.97Å; D154-Q158 PolarHBondContact O-N 3.39Å; D154-K290 IonicContact OD2-NZ 2.72Å; D154-K290 PolarHBondContact OD2-NZ 2.84Å; D154-V292 HydrophobicContact CB-CG1 4.21Å; D154-V292 WeakPolarHBondContact OD1-CG1 3.45Å
155	A	95.3	Very high	93.8	Very high	61 Å²	61	52.4 Å²	52.4	50%	0.504	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-43.3	175.4	0	0	0	0	0	112.4	N151 V153 I157 Q158 E159	N151-A155 WeakPolarHBondContact O-CB 3.49Å; N151-A155 PolarHBondContact O-N 3.49Å; V153-A155 VanDerWaalsContact C-N 3.32Å; V153-A155 PolarHBondContact O-N 3.43Å; A155-I157 VanDerWaalsContact C-N 3.34Å; A155-I157 PolarHBondContact O-N 2.79Å; A155-Q158 PolarHBondContact O-N 2.85Å; A155-E159 PolarHBondContact O-N 2.82Å; A155-E159 VanDerWaalsContact O-N 3.12Å
156	Y	96.6	Very high	93.9	Very high	54 Å²	54	57.3 Å²	57.3	21%	0.212	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-41.3	175.3	-178	-86.3	0	0	0	111.9	M129 V131 C134 K152 V153 E159 H160	M129-Y156 VanDerWaalsContact CE-CB 3.45Å; M129-Y156 HydrophobicContact CE-CD1 3.84Å; M129-Y156 HydrophobicContact CE-CD2 3.82Å; M129-Y156 HydrophobicContact CE-CG 3.42Å; M129-Y156 VanDerWaalsContact CE-CG 3.42Å; M129-Y156 HydrophobicContact SD-CD1 4.35Å; M129-Y156 HydrophobicContact SD-CG 4.49Å; V131-Y156 PolarHBondContact N-OH 2.95Å; C134-Y156 HydrophobicContact CB-CD1 4.05Å; C134-Y156 HydrophobicContact CB-CE1 4.2Å; K152-Y156 PolarHBondContact O-N 3.22Å; K152-Y156 VanDerWaalsContact O-N 3.16Å; V153-Y156 WeakPolarHBondContact O-CB 3.45Å; V153-Y156 PolarHBondContact O-N 2.88Å; Y156-E159 PolarHBondContact O-N 3.13Å; Y156-H160 AromaticContact CD2-CE1 3.87Å; Y156-H160 AromaticContact CD2-ND1 3.81Å; Y156-H160 HydrophobicContact CE1-CB 4.4Å; Y156-H160 AromaticContact CE1-ND1 3.93Å; Y156-H160 AromaticContact CE2-CE1 3.6Å; Y156-H160 AromaticContact CE2-ND1 3.71Å; Y156-H160 AromaticContact CG-ND1 3.97Å; Y156-H160 AromaticContact CZ-CE1 3.97Å; Y156-H160 AromaticContact CZ-ND1 3.76Å; Y156-H160 PolarHBondContact O-N 2.7Å; Y156-H160 VanDerWaalsContact O-N 3.1Å; Y156-H160 PolarHBondContact O-ND1 3.31Å
157	I	96.6	Very high	94.3	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-42.3	177.3	-68.2	169.1	0	0	0	110.9	C134 R138 V153 D154 A155 E159 H160 L161 I164 V292 A293 L305	C134-I157 HydrophobicContact CB-CG1 4.07Å; R138-I157 HydrophobicContact CB-CD1 4.11Å; R138-I157 HydrophobicContact CG-CD1 4.19Å; V153-I157 HydrophobicContact CG1-CD1 3.88Å; V153-I157 HydrophobicContact CG1-CG1 4.39Å; V153-I157 WeakPolarHBondContact O-CG1 3.43Å; V153-I157 PolarHBondContact O-N 3.48Å; D154-I157 PolarHBondContact O-N 2.97Å; A155-I157 VanDerWaalsContact C-N 3.34Å; A155-I157 PolarHBondContact O-N 2.79Å; I157-E159 VanDerWaalsContact C-N 3.35Å; I157-E159 PolarHBondContact O-N 3.49Å; I157-H160 CarbonylContact O-C 3.57Å; I157-H160 PolarHBondContact O-N 2.76Å; I157-L161 VanDerWaalsContact O-CA 3.28Å; I157-L161 WeakPolarHBondContact O-CA 3.43Å; I157-L161 WeakPolarHBondContact O-CB 3.49Å; I157-L161 PolarHBondContact O-N 2.97Å; I157-I164 HydrophobicContact CB-CD1 4.19Å; I157-I164 HydrophobicContact CG1-CD1 4.14Å; I157-I164 HydrophobicContact CG2-CD1 4.18Å; I157-V292 HydrophobicContact CG2-CG1 4.27Å; I157-A293 HydrophobicContact CG2-CB 3.82Å; I157-L305 HydrophobicContact CG2-CD1 3.5Å
158	Q	94.8	Very high	94.3	Very high	73 Å²	73	61.3 Å²	61.3	34%	0.341	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-39.9	176.4	175.8	61	69.2	0	0	112.4	D154 A155 A293 S294	D154-Q158 PolarHBondContact O-N 3.39Å; A155-Q158 PolarHBondContact O-N 2.85Å; Q158-A293 HydrophobicContact CB-CB 4.09Å; Q158-S294 PolarHBondContact NE2-O 3.21Å; Q158-S294 VanDerWaalsContact NE2-O 3.09Å
159	E	95	Very high	94.1	Very high	151 Å²	151	60.2 Å²	60.2	71%	0.706	30%	0.298	S	S	*	.	H	α-helix	trans	-69.5	-32.1	179.2	-173.3	178.8	-173.9	0	0	112.7	A155 Y156 I157	A155-E159 PolarHBondContact O-N 2.82Å; A155-E159 VanDerWaalsContact O-N 3.12Å; Y156-E159 PolarHBondContact O-N 3.13Å; I157-E159 VanDerWaalsContact C-N 3.35Å; I157-E159 PolarHBondContact O-N 3.49Å
160	H	95.5	Very high	94.1	Very high	40 Å²	40	60 Å²	60	19%	0.185	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	17.6	-173.4	-58.3	83.7	0	0	0	113.7	V131 Y156 I157 L162 Q163 I164	V131-H160 HydrophobicContact CG1-CB 4.25Å; Y156-H160 AromaticContact CD2-CE1 3.87Å; Y156-H160 AromaticContact CD2-ND1 3.81Å; Y156-H160 HydrophobicContact CE1-CB 4.4Å; Y156-H160 AromaticContact CE1-ND1 3.93Å; Y156-H160 AromaticContact CE2-CE1 3.6Å; Y156-H160 AromaticContact CE2-ND1 3.71Å; Y156-H160 AromaticContact CG-ND1 3.97Å; Y156-H160 AromaticContact CZ-CE1 3.97Å; Y156-H160 AromaticContact CZ-ND1 3.76Å; Y156-H160 PolarHBondContact O-N 2.7Å; Y156-H160 VanDerWaalsContact O-N 3.1Å; Y156-H160 PolarHBondContact O-ND1 3.31Å; I157-H160 CarbonylContact O-C 3.57Å; I157-H160 PolarHBondContact O-N 2.76Å; H160-L162 VanDerWaalsContact C-N 3.29Å; H160-L162 PolarHBondContact O-N 3.26Å; H160-L162 VanDerWaalsContact O-N 3.16Å; H160-Q163 PolarHBondContact O-N 2.86Å; H160-I164 HydrophobicContact CB-CD1 3.83Å; H160-I164 HydrophobicContact CB-CG1 4.2Å; H160-I164 WeakPolarHBondContact O-CG1 3.38Å; H160-I164 PolarHBondContact O-N 3.28Å
161	L	93.9	Very high	93.9	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-54.3	-41.6	-169.1	178.6	58	0	0	0	113.3	I157 I164 S165 F170 A293 S294 E295 L305	I157-L161 VanDerWaalsContact O-CA 3.28Å; I157-L161 WeakPolarHBondContact O-CA 3.43Å; I157-L161 WeakPolarHBondContact O-CB 3.49Å; I157-L161 PolarHBondContact O-N 2.97Å; L161-I164 PolarHBondContact O-N 2.95Å; L161-S165 WeakPolarHBondContact O-CB 3.24Å; L161-S165 PolarHBondContact O-N 3.46Å; L161-F170 HydrophobicContact CD1-CE2 4.15Å; L161-A293 HydrophobicContact CB-CB 4.37Å; L161-A293 HydrophobicContact CD1-CB 4.07Å; L161-A293 HydrophobicContact CD2-CB 3.84Å; L161-A293 HydrophobicContact CG-CB 4.32Å; L161-S294 VanDerWaalsContact CD2-C 3.49Å; L161-E295 HydrophobicContact CD2-CB 3.77Å; L161-E295 HydrophobicContact CG-CB 4.43Å; L161-L305 HydrophobicContact CD1-CD1 3.68Å; L161-L305 HydrophobicContact CD1-CG 4.09Å
162	L	91.4	Very high	93.8	Very high	87 Å²	87	65.5 Å²	65.5	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-45.3	179.5	-68.8	176.6	0	0	0	112.1	H160 S165 E295 T297	H160-L162 VanDerWaalsContact C-N 3.29Å; H160-L162 PolarHBondContact O-N 3.26Å; H160-L162 VanDerWaalsContact O-N 3.16Å; L162-S165 PolarHBondContact O-N 2.67Å; L162-S165 PolarHBondContact O-OG 3.25Å; L162-E295 HydrophobicContact CD1-CG 4.17Å; L162-E295 HydrophobicContact CD2-CB 4.32Å; L162-E295 HydrophobicContact CD2-CG 3.7Å; L162-E295 HydrophobicContact CG-CG 3.87Å; L162-T297 HydrophobicContact CD2-CG2 4Å
163	Q	93.8	Very high	93.6	Very high	112 Å²	112	61.6 Å²	61.6	52%	0.523	30%	0.303	S	S	.	.	H	α-helix	trans	-66.8	-43.2	177.8	-63.8	172.6	13.9	0	0	110.7	V131 H160 S165 E166	V131-Q163 HydrophobicContact CG1-CB 4.18Å; H160-Q163 PolarHBondContact O-N 2.86Å; Q163-S165 PolarHBondContact O-N 3.22Å; Q163-E166 PolarHBondContact O-N 2.79Å
164	I	95.5	Very high	93.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-31.7	177.3	-64.8	163.2	0	0	0	111.1	V131 C134 I135 I157 H160 L161 E166 E167 F170	V131-I164 HydrophobicContact CB-CG1 4.14Å; V131-I164 HydrophobicContact CG1-CG1 4.28Å; C134-I164 VanDerWaalsContact SG-CD1 3.55Å; I135-I164 HydrophobicContact CD1-CG2 4.09Å; I135-I164 HydrophobicContact CG1-CG2 4.44Å; I157-I164 HydrophobicContact CB-CD1 4.19Å; I157-I164 HydrophobicContact CG1-CD1 4.14Å; I157-I164 HydrophobicContact CG2-CD1 4.18Å; H160-I164 HydrophobicContact CB-CD1 3.83Å; H160-I164 HydrophobicContact CB-CG1 4.2Å; H160-I164 WeakPolarHBondContact O-CG1 3.38Å; H160-I164 PolarHBondContact O-N 3.28Å; L161-I164 PolarHBondContact O-N 2.95Å; I164-E166 PolarHBondContact O-N 3.19Å; I164-E166 VanDerWaalsContact O-N 3.16Å; I164-E167 WeakPolarHBondContact O-CB 3.42Å; I164-E167 PolarHBondContact O-N 3.24Å; I164-E167 VanDerWaalsContact O-N 3.08Å; I164-F170 HydrophobicContact CG2-CB 4.42Å; I164-F170 HydrophobicContact CG2-CD2 3.98Å; I164-F170 WeakPolarHBondContact O-CB 3.33Å
165	S	92.9	Very high	93.4	Very high	28 Å²	28	67.3 Å²	67.3	20%	0.196	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.7	-178.8	78.4	0	0	0	0	114.3	L161 L162 Q163 F170	L161-S165 WeakPolarHBondContact O-CB 3.24Å; L161-S165 PolarHBondContact O-N 3.46Å; L162-S165 PolarHBondContact O-N 2.67Å; L162-S165 PolarHBondContact O-OG 3.25Å; Q163-S165 PolarHBondContact O-N 3.22Å; S165-F170 WeakPolarHBondContact O-CD1 3.47Å
166	E	92.3	Very high	93.3	Very high	161 Å²	161	64.4 Å²	64.4	75%	0.752	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-10.7	177.8	-59.1	-178.7	171.2	0	0	112.6	Q163 I164	Q163-E166 PolarHBondContact O-N 2.79Å; I164-E166 PolarHBondContact O-N 3.19Å; I164-E166 VanDerWaalsContact O-N 3.16Å
167	E	95.5	Very high	93.1	Very high	60 Å²	60	66.6 Å²	66.6	28%	0.28	32%	0.319	S	S	.	.	S	Bend	trans	-82.9	149.8	-174.3	-64.8	-63.9	159.7	0	0	113.7	I164 E169 F170 L171	I164-E167 WeakPolarHBondContact O-CB 3.42Å; I164-E167 PolarHBondContact O-N 3.24Å; I164-E167 VanDerWaalsContact O-N 3.08Å; E167-E169 PolarHBondContact O-N 2.46Å; E167-F170 WeakPolarHBondContact O-CB 3.4Å; E167-F170 PolarHBondContact O-N 3.45Å; E167-F170 VanDerWaalsContact O-N 3.1Å; E167-L171 WeakPolarHBondContact O-CG 3.41Å; E167-L171 PolarHBondContact O-N 3.41Å
168	E	91.4	Very high	92.9	Very high	130 Å²	130	66.7 Å²	66.7	61%	0.607	32%	0.32	S	S	*	.	H	α-helix	trans	-59.9	-41.1	-174.4	-162.4	-165.9	139.8	0	0	113	F170 L171 K172	E168-F170 VanDerWaalsContact C-N 3.28Å; E168-F170 PolarHBondContact O-N 3.47Å; E168-L171 PolarHBondContact O-N 3.38Å; E168-K172 WeakPolarHBondContact O-CG 3.25Å; E168-K172 PolarHBondContact O-N 3.31Å; E168-K172 WeakPolarHBondContact OE1-CE 3.5Å; E168-K172 IonicContact OE1-NZ 3.7Å; E168-K172 PolarHBondContact OE1-NZ 3.32Å
169	E	88.9	Confident	92.6	Very high	79 Å²	79	65.7 Å²	65.7	37%	0.369	32%	0.315	S	S	.	.	H	α-helix	trans	-65.9	-30.5	179.5	-71.2	-65.1	111	0	0	112.4	I135 E167 K172	I135-E169 HydrophobicContact CD1-CB 4.18Å; E167-E169 PolarHBondContact O-N 2.46Å; E169-K172 IonicContact OE1-NZ 3.78Å; E169-K172 PolarHBondContact OE1-NZ 3.49Å
170	F	92.8	Very high	92.2	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-72.3	-37.3	174.8	-178.6	-86.4	0	0	0	111.8	I135 L161 I164 S165 E167 E168 K172 L173 R175 L303 L305 V314	I135-F170 HydrophobicContact CD1-CB 3.81Å; I135-F170 HydrophobicContact CD1-CD2 4.32Å; L161-F170 HydrophobicContact CD1-CE2 4.15Å; I164-F170 HydrophobicContact CG2-CB 4.42Å; I164-F170 HydrophobicContact CG2-CD2 3.98Å; I164-F170 WeakPolarHBondContact O-CB 3.33Å; S165-F170 WeakPolarHBondContact O-CD1 3.47Å; E167-F170 WeakPolarHBondContact O-CB 3.4Å; E167-F170 PolarHBondContact O-N 3.45Å; E167-F170 VanDerWaalsContact O-N 3.1Å; E168-F170 VanDerWaalsContact C-N 3.28Å; E168-F170 PolarHBondContact O-N 3.47Å; F170-K172 PolarHBondContact O-N 3.21Å; F170-L173 HydrophobicContact CD2-CD1 4.31Å; F170-L173 WeakPolarHBondContact O-CB 3.26Å; F170-L173 PolarHBondContact O-N 3.22Å; F170-R175 PolarHBondContact O-NH1 2.8Å; F170-L303 HydrophobicContact CE1-CD1 4.5Å; F170-L303 HydrophobicContact CZ-CD1 4.07Å; F170-L303 HydrophobicContact CZ-CD2 3.98Å; F170-L303 HydrophobicContact CZ-CG 4.3Å; F170-L305 HydrophobicContact CD2-CD1 4.07Å; F170-L305 HydrophobicContact CD2-CD2 4.01Å; F170-L305 HydrophobicContact CD2-CG 4.3Å; F170-L305 HydrophobicContact CE2-CD1 3.71Å; F170-L305 HydrophobicContact CE2-CD2 3.58Å; F170-L305 HydrophobicContact CE2-CG 3.6Å; F170-L305 HydrophobicContact CZ-CD2 4.43Å; F170-L305 HydrophobicContact CZ-CG 4.5Å; F170-V314 HydrophobicContact CD1-CG2 4.5Å; F170-V314 HydrophobicContact CE1-CG1 4.4Å; F170-V314 HydrophobicContact CE1-CG2 3.92Å; F170-V314 HydrophobicContact CE2-CG2 4.01Å; F170-V314 HydrophobicContact CZ-CG1 4.05Å; F170-V314 HydrophobicContact CZ-CG2 3.64Å
171	L	88.9	Confident	91.6	Very high	104 Å²	104	60.1 Å²	60.1	55%	0.545	29%	0.29	S	S	.	.	H	α-helix	trans	-67.6	-26.6	178.9	-63.4	177.5	0	0	0	112.6	E167 E168 L173 R175	E167-L171 WeakPolarHBondContact O-CG 3.41Å; E167-L171 PolarHBondContact O-N 3.41Å; E168-L171 PolarHBondContact O-N 3.38Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-R175 PolarHBondContact O-NH1 3.19Å; L171-R175 VanDerWaalsContact O-NH1 3.17Å
172	K	90	Very high	91	Very high	120 Å²	120	60.3 Å²	60.3	52%	0.522	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-15	175.5	-68.8	171.2	-170.7	162.4	0	114.2	E168 E169 F170	E168-K172 WeakPolarHBondContact O-CG 3.25Å; E168-K172 PolarHBondContact O-N 3.31Å; E168-K172 WeakPolarHBondContact OE1-CE 3.5Å; E168-K172 IonicContact OE1-NZ 3.7Å; E168-K172 PolarHBondContact OE1-NZ 3.32Å; E169-K172 IonicContact OE1-NZ 3.78Å; E169-K172 PolarHBondContact OE1-NZ 3.49Å; F170-K172 PolarHBondContact O-N 3.21Å
173	L	92.7	Very high	90.1	Very high	19 Å²	19	59.9 Å²	59.9	10%	0.099	29%	0.286	C	S	.	.	S	Bend	trans	-67.2	140.3	-178.5	-65.8	175.3	0	0	0	111.3	I135 F170 L171 R175 L305 F312 V314	I135-L173 HydrophobicContact CD1-CD1 4.21Å; F170-L173 HydrophobicContact CD2-CD1 4.31Å; F170-L173 WeakPolarHBondContact O-CB 3.26Å; F170-L173 PolarHBondContact O-N 3.22Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L173-R175 VanDerWaalsContact O-CG 3.32Å; L173-R175 WeakPolarHBondContact O-CG 3.27Å; L173-R175 PolarHBondContact O-NH1 3.2Å; L173-L305 HydrophobicContact CD1-CD2 3.44Å; L173-L305 VanDerWaalsContact CD1-CD2 3.44Å; L173-F312 HydrophobicContact CD1-CD1 4.18Å; L173-F312 HydrophobicContact CD1-CE1 3.91Å; L173-F312 HydrophobicContact CD2-CD1 3.76Å; L173-F312 HydrophobicContact CD2-CE1 4.22Å; L173-V314 HydrophobicContact CB-CG2 3.93Å; L173-V314 HydrophobicContact CD1-CG2 4.1Å
174	P	93.8	Very high	88.7	Confident	62 Å²	62	59.9 Å²	59.9	40%	0.403	29%	0.29	S	S	.	.			trans	-50.6	144.9	170.1	-28.3	36.9	0	0	0	111.6	M217 I311 C313 V314	P174-M217 HydrophobicContact CB-CE 3.25Å; P174-M217 HydrophobicContact CB-SD 4.34Å; P174-I311 HydrophobicContact CG-CG2 4.24Å; P174-C313 HydrophobicContact CB-CB 4.07Å; P174-C313 CarbonylContact O-C 3.55Å; P174-C313 WeakPolarHBondContact O-CA 3.46Å; P174-C313 VanDerWaalsContact O-CB 3.25Å; P174-C313 WeakPolarHBondContact O-CB 3.36Å; P174-V314 PolarHBondContact O-N 2.81Å
175	R	93.3	Very high	87	Confident	68 Å²	68	68.2 Å²	68.2	26%	0.257	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.7	-174.1	-52.8	-177.6	117.8	69.4	-5	112.9	F170 L171 L173 M217 V314	F170-R175 PolarHBondContact O-NH1 2.8Å; L171-R175 PolarHBondContact O-NH1 3.19Å; L171-R175 VanDerWaalsContact O-NH1 3.17Å; L173-R175 VanDerWaalsContact O-CG 3.32Å; L173-R175 WeakPolarHBondContact O-CG 3.27Å; L173-R175 PolarHBondContact O-NH1 3.2Å; R175-M217 VanDerWaalsContact C-CE 3.41Å; R175-M217 WeakPolarHBondContact O-CB 3.44Å; R175-V314 CarbonylContact C-O 3.51Å; R175-V314 VanDerWaalsContact CA-O 3.29Å; R175-V314 WeakPolarHBondContact CA-O 3.14Å; R175-V314 HydrophobicContact CG-CB 4.28Å
176	L	94.1	Very high	85.8	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.8	165.7	179	65.5	0	0	0	108.3	L178 V198 W201 V202 L216 M217 Q221 L308 V314 I315 F316	L176-L178 HydrophobicContact CD1-CD2 4.09Å; L176-L178 HydrophobicContact CD2-CD1 4.43Å; L176-L178 HydrophobicContact CD2-CD2 4.3Å; L176-L178 HydrophobicContact CG-CD2 3.93Å; L176-L178 HydrophobicContact CG-CG 4.22Å; L176-V198 HydrophobicContact CD2-CG1 4.04Å; L176-W201 HydrophobicContact CD1-CZ3 4.29Å; L176-W201 HydrophobicContact CD2-CZ3 4.25Å; L176-V202 HydrophobicContact CD2-CG2 3.55Å; L176-L216 HydrophobicContact CD1-CB 4.13Å; L176-L216 WeakPolarHBondContact CD1-O 3.25Å; L176-M217 HydrophobicContact CB-CG 4.25Å; L176-M217 HydrophobicContact CD1-CG 4.29Å; L176-Q221 HydrophobicContact CD1-CG 4.42Å; L176-L308 HydrophobicContact CD2-CD1 4.02Å; L176-V314 PolarHBondContact N-O 3.36Å; L176-I315 HydrophobicContact CB-CG1 4.5Å; L176-I315 HydrophobicContact CD2-CG1 4.4Å; L176-F316 PolarHBondContact O-N 3.17Å
177	K	92.4	Very high	84.7	Confident	101 Å²	101	65.2 Å²	65.2	44%	0.439	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.5	-177.2	-65.4	175.8	-174	166.1	0	110.3	V220 Q221 F316	K177-V220 HydrophobicContact CB-CG1 4.49Å; K177-V220 HydrophobicContact CB-CG2 4.07Å; K177-V220 HydrophobicContact CD-CG2 4.14Å; K177-Q221 PolarHBondContact O-N 3.5Å; K177-F316 WeakPolarHBondContact CA-O 3.37Å
178	L	91.2	Very high	83.6	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.8	-175.7	-53.2	177.9	0	0	0	111	L176 V198 W201 Q221 L223 I315 F316 L317 H318	L176-L178 HydrophobicContact CD1-CD2 4.09Å; L176-L178 HydrophobicContact CD2-CD1 4.43Å; L176-L178 HydrophobicContact CD2-CD2 4.3Å; L176-L178 HydrophobicContact CG-CD2 3.93Å; L176-L178 HydrophobicContact CG-CG 4.22Å; L178-V198 HydrophobicContact CD1-CB 4.12Å; L178-V198 HydrophobicContact CD1-CG1 3.43Å; L178-V198 VanDerWaalsContact CD1-CG1 3.43Å; L178-V198 HydrophobicContact CD1-CG2 3.54Å; L178-W201 HydrophobicContact CD2-CE3 4.47Å; L178-W201 HydrophobicContact CD2-CH2 4.2Å; L178-W201 HydrophobicContact CD2-CZ3 3.82Å; L178-Q221 CarbonylContact C-O 3.55Å; L178-Q221 WeakPolarHBondContact CA-O 3.48Å; L178-Q221 HydrophobicContact CD2-CB 3.63Å; L178-Q221 HydrophobicContact CD2-CG 4.16Å; L178-L223 HydrophobicContact CD1-CD1 4.3Å; L178-L223 HydrophobicContact CD2-CD1 4.13Å; L178-I315 HydrophobicContact CD1-CG2 4.12Å; L178-F316 PolarHBondContact N-O 2.89Å; L178-L317 HydrophobicContact CB-CB 4.29Å; L178-L317 HydrophobicContact CB-CD1 4.46Å; L178-L317 HydrophobicContact CB-CG 4.12Å; L178-L317 HydrophobicContact CD1-CD1 4.16Å; L178-L317 WeakPolarHBondContact O-CA 3.37Å; L178-H318 PolarHBondContact O-N 3.06Å
179	E	88.8	Confident	82.6	Confident	52 Å²	52	58.1 Å²	58.1	24%	0.243	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.8	165	-74.4	-172.1	159.8	0	0	109.1	V220 Q221 T222 L223 H318 R320	E179-V220 HydrophobicContact CB-CG1 4.3Å; E179-V220 HydrophobicContact CG-CG1 3.67Å; E179-Q221 PolarHBondContact N-O 3.36Å; E179-T222 CarbonylContact O-C 3.47Å; E179-T222 WeakPolarHBondContact O-CA 3.31Å; E179-L223 PolarHBondContact O-N 3.02Å; E179-H318 WeakPolarHBondContact CA-O 3.44Å; E179-R320 IonicContact OE1-CZ 2.8Å; E179-R320 IonicContact OE1-NH1 3.34Å; E179-R320 PolarHBondContact OE1-NH1 2.86Å; E179-R320 IonicContact OE1-NH2 2.75Å; E179-R320 PolarHBondContact OE1-NH2 2.85Å; E179-R320 IonicContact OE2-CZ 2.65Å; E179-R320 IonicContact OE2-NH1 3.95Å; E179-R320 PolarHBondContact OE2-NH1 2.88Å; E179-R320 IonicContact OE2-NH2 3.94Å
180	V	87.5	Confident	81.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	112.6	-175	-174.7	0	0	0	0	110.2	L188 L223 L231 L317 H318 G319 R320	V180-L188 HydrophobicContact CB-CD1 4.33Å; V180-L188 HydrophobicContact CB-CD2 4.36Å; V180-L188 HydrophobicContact CG1-CD2 3.8Å; V180-L223 CarbonylContact C-O 3.57Å; V180-L223 VanDerWaalsContact CA-O 3.31Å; V180-L223 WeakPolarHBondContact CA-O 3.42Å; V180-L223 HydrophobicContact CG2-CB 4.39Å; V180-L231 HydrophobicContact CG1-CD1 3.87Å; V180-L231 HydrophobicContact CG2-CD1 4.25Å; V180-L317 HydrophobicContact CB-CD2 4.29Å; V180-L317 HydrophobicContact CG2-CD1 3.8Å; V180-L317 HydrophobicContact CG2-CD2 3.77Å; V180-L317 HydrophobicContact CG2-CG 3.67Å; V180-H318 PolarHBondContact N-O 2.73Å; V180-G319 CarbonylContact O-C 3.55Å; V180-G319 WeakPolarHBondContact O-CA 3.38Å; V180-R320 PolarHBondContact O-N 3.19Å
181	M	83.4	Confident	79.7	Confident	74 Å²	74	62 Å²	62	37%	0.365	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130	174.1	-63.8	-174	71.9	0	0	110.1	T222 L223 Y224 Y225 R320	M181-T222 HydrophobicContact CG-CG2 4.35Å; M181-T222 HydrophobicContact SD-CG2 4.28Å; M181-L223 PolarHBondContact N-O 3.23Å; M181-Y224 HydrophobicContact CB-CD2 4Å; M181-Y225 PolarHBondContact O-N 3.37Å; M181-R320 CarbonylContact C-O 3.43Å; M181-R320 WeakPolarHBondContact CA-O 3.5Å
182	L	80.4	Confident	78.4	Confident	6 Å²	6	58.5 Å²	58.5	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.3	-177.5	-65	164.2	0	0	0	110.7	L188 Y225 R320 S322	L182-L188 HydrophobicContact CD1-CD1 4.44Å; L182-L188 HydrophobicContact CD1-CG 4.26Å; L182-L188 HydrophobicContact CD2-CD1 4.44Å; L182-L188 HydrophobicContact CD2-CD2 3.86Å; L182-L188 HydrophobicContact CD2-CG 3.65Å; L182-L188 HydrophobicContact CG-CG 4.4Å; L182-Y225 HydrophobicContact CD2-CD1 3.77Å; L182-Y225 HydrophobicContact CD2-CG 4.22Å; L182-R320 PolarHBondContact N-O 2.88Å; L182-S322 PolarHBondContact O-N 2.76Å
183	E	73.4	Confident	77.5	Confident	78 Å²	78	55.9 Å²	55.9	36%	0.364	31%	0.306	S	S	.	.			trans	-66	155.2	165	-158.4	169.9	179.7	0	0	111.1	N185 V186 Y224 Y225 A227	E183-N185 PolarHBondContact O-N 2.88Å; E183-V186 HydrophobicContact CB-CG2 4Å; E183-V186 WeakPolarHBondContact O-CB 3.17Å; E183-V186 PolarHBondContact O-N 2.75Å; E183-Y224 WeakPolarHBondContact CB-OH 3.2Å; E183-Y224 WeakPolarHBondContact CG-OH 3.32Å; E183-Y224 PolarHBondContact OE2-OH 2.82Å; E183-Y225 PolarHBondContact N-O 2.83Å; E183-A227 VanDerWaalsContact OE2-CB 3.23Å; E183-A227 WeakPolarHBondContact OE2-CB 3.42Å; E183-A227 PolarHBondContact OE2-N 3.31Å
184	D	63.4	Low	77	Confident	111 Å²	111	55 Å²	55	59%	0.594	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	134.6	-176	-71.6	-14	0	0	0	111.4	V186 S322	D184-V186 PolarHBondContact O-N 2.89Å; D184-S322 PolarHBondContact OD1-OG 2.83Å
185	N	60.3	Low	76.6	Confident	176 Å²	176	52.2 Å²	52.2	94%	0.941	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	12.5	-175.9	-52.6	-49	0	0	0	115.9	E183	E183-N185 PolarHBondContact O-N 2.88Å
186	V	66.7	Low	76.2	Confident	19 Å²	19	52 Å²	52	12%	0.115	29%	0.289	C	S	.	.			trans	-100.2	133.8	174.2	-173.2	0	0	0	0	110.8	E183 D184 Y225 A227	E183-V186 HydrophobicContact CB-CG2 4Å; E183-V186 WeakPolarHBondContact O-CB 3.17Å; E183-V186 PolarHBondContact O-N 2.75Å; D184-V186 PolarHBondContact O-N 2.89Å; V186-Y225 HydrophobicContact CG1-CD1 3.48Å; V186-Y225 VanDerWaalsContact CG1-CD1 3.48Å; V186-Y225 HydrophobicContact CG1-CE1 3.45Å; V186-Y225 VanDerWaalsContact CG1-CE1 3.45Å; V186-A227 HydrophobicContact CG2-CB 4.41Å
187	C	68.9	Low	75.9	Confident	107 Å²	107	55 Å²	55	72%	0.723	30%	0.302	S	S	*	.			trans	-114.4	143.4	175.1	-74.4	0	0	0	0	110.8
188	L	73.3	Confident	75.7	Confident	11 Å²	11	50.1 Å²	50.1	6%	0.058	28%	0.281	C	S	.	.			trans	-65.5	135.7	171.1	-69.4	164.9	0	0	0	110	V180 L182 S190 L194 Y225 Y302 L317	V180-L188 HydrophobicContact CB-CD1 4.33Å; V180-L188 HydrophobicContact CB-CD2 4.36Å; V180-L188 HydrophobicContact CG1-CD2 3.8Å; L182-L188 HydrophobicContact CD1-CD1 4.44Å; L182-L188 HydrophobicContact CD1-CG 4.26Å; L182-L188 HydrophobicContact CD2-CD1 4.44Å; L182-L188 HydrophobicContact CD2-CD2 3.86Å; L182-L188 HydrophobicContact CD2-CG 3.65Å; L182-L188 HydrophobicContact CG-CG 4.4Å; L188-S190 PolarHBondContact O-N 2.83Å; L188-L194 HydrophobicContact CB-CD2 4.37Å; L188-L194 HydrophobicContact CD2-CD1 3.75Å; L188-Y225 HydrophobicContact CD2-CD1 4.29Å; L188-Y225 HydrophobicContact CD2-CD2 4.39Å; L188-Y225 HydrophobicContact CD2-CG 4.09Å; L188-Y302 HydrophobicContact CB-CE2 3.75Å; L188-Y302 HydrophobicContact CD1-CD2 4.12Å; L188-Y302 HydrophobicContact CD1-CE2 3.67Å; L188-Y302 HydrophobicContact CG-CE2 4.38Å; L188-Y302 PolarHBondContact O-OH 2.93Å; L188-Y302 VanDerWaalsContact O-OH 3.14Å; L188-L317 HydrophobicContact CD1-CD2 3.52Å
189	P	70.4	Confident	75.7	Confident	29 Å²	29	50.7 Å²	50.7	19%	0.188	28%	0.284	C	S	.	.			trans	-66.5	135.6	179.3	22.1	-27	0	0	0	110.7	N191 K193 L194	P189-N191 PolarHBondContact O-N 2.99Å; P189-K193 HydrophobicContact CG-CB 4.42Å; P189-L194 HydrophobicContact CG-CB 4.07Å
190	S	61.8	Low	75.6	Confident	75 Å²	75	51.6 Å²	51.6	52%	0.524	29%	0.29	S	S	.	.	S	Bend	trans	-74.3	-0.3	179.1	46.9	0	0	0	0	115.2	L188	L188-S190 PolarHBondContact O-N 2.83Å
191	N	59.4	Low	75.8	Confident	89 Å²	89	51.9 Å²	51.9	48%	0.476	29%	0.291	S	S	.	.	S	Bend	trans	-117.8	168.1	-164.7	-48.2	6.5	0	0	0	109.4	P189 K193 L194	P189-N191 PolarHBondContact O-N 2.99Å; N191-K193 PolarHBondContact O-N 3.21Å; N191-L194 PolarHBondContact O-N 2.99Å; N191-L194 VanDerWaalsContact O-N 3.1Å
192	G	61	Low	76.1	Confident	30 Å²	30	48.3 Å²	48.3	31%	0.309	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-9.5	-179.2	0	0	0	0	0	117.2	L194 Y195 T196	G192-L194 VanDerWaalsContact C-N 3.33Å; G192-L194 PolarHBondContact O-N 2.9Å; G192-Y195 PolarHBondContact O-N 2.85Å; G192-T196 PolarHBondContact O-N 2.85Å; G192-T196 VanDerWaalsContact O-N 3.08Å; G192-T196 PolarHBondContact O-OG1 2.84Å
193	K	72.3	Confident	76.5	Confident	65 Å²	65	49.6 Å²	49.6	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-58	-38.8	171.3	-59	176.6	-177.4	-165.1	0	113	P189 N191 T196 K197 E618	P189-K193 HydrophobicContact CG-CB 4.42Å; N191-K193 PolarHBondContact O-N 3.21Å; K193-T196 PolarHBondContact O-N 2.68Å; K193-K197 WeakPolarHBondContact O-CG 3.13Å; K193-K197 PolarHBondContact O-N 3.04Å; K193-K197 VanDerWaalsContact O-N 3.16Å; K193-E618 WeakPolarHBondContact CD-OE1 3.48Å; K193-E618 WeakPolarHBondContact CE-OE1 3.21Å; K193-E618 IonicContact NZ-OE1 3.2Å; K193-E618 PolarHBondContact NZ-OE1 2.85Å; K193-E618 IonicContact NZ-OE2 2.64Å; K193-E618 PolarHBondContact NZ-OE2 3.01Å
194	L	81.8	Confident	77.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-51.9	178.6	179.3	55.9	0	0	0	110.6	L188 P189 N191 G192 T196 K197 V198 Y302 L317	L188-L194 HydrophobicContact CB-CD2 4.37Å; L188-L194 HydrophobicContact CD2-CD1 3.75Å; P189-L194 HydrophobicContact CG-CB 4.07Å; N191-L194 PolarHBondContact O-N 2.99Å; N191-L194 VanDerWaalsContact O-N 3.1Å; G192-L194 VanDerWaalsContact C-N 3.33Å; G192-L194 PolarHBondContact O-N 2.9Å; L194-T196 VanDerWaalsContact C-N 3.28Å; L194-T196 PolarHBondContact O-N 3.5Å; L194-K197 WeakPolarHBondContact O-CB 3.42Å; L194-K197 PolarHBondContact O-N 3.05Å; L194-K197 VanDerWaalsContact O-N 3.09Å; L194-V198 WeakPolarHBondContact O-CG2 3.39Å; L194-V198 PolarHBondContact O-N 3.4Å; L194-Y302 HydrophobicContact CD2-CD1 3.73Å; L194-Y302 HydrophobicContact CD2-CD2 4.02Å; L194-Y302 HydrophobicContact CD2-CE1 4.17Å; L194-Y302 HydrophobicContact CD2-CE2 4.43Å; L194-Y302 HydrophobicContact CD2-CG 3.65Å; L194-L317 HydrophobicContact CD1-CD1 3.75Å; L194-L317 HydrophobicContact CD2-CD1 3.82Å; L194-L317 HydrophobicContact CD2-CD2 4.01Å; L194-L317 HydrophobicContact CD2-CG 4.47Å; L194-L317 HydrophobicContact CG-CD1 3.8Å
195	Y	84.9	Confident	78.2	Confident	3 Å²	3	45.4 Å²	45.4	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-69.7	-26.4	-178.4	-55.9	-69.8	0	0	0	112.9	G192 V198 I199 Y302 L303 C304 I315	G192-Y195 PolarHBondContact O-N 2.85Å; Y195-V198 PolarHBondContact O-N 3.03Å; Y195-I199 VanDerWaalsContact O-CG1 3.3Å; Y195-I199 WeakPolarHBondContact O-CG1 3.43Å; Y195-I199 PolarHBondContact O-N 3Å; Y195-Y302 WeakPolarHBondContact OH-CA 3.21Å; Y195-Y302 VanDerWaalsContact OH-CB 3.26Å; Y195-Y302 WeakPolarHBondContact OH-CB 3.44Å; Y195-L303 PolarHBondContact OH-N 2.81Å; Y195-L303 PolarHBondContact OH-O 2.77Å; Y195-C304 HydrophobicContact CD1-CB 3.29Å; Y195-C304 HydrophobicContact CD2-CB 3.99Å; Y195-C304 HydrophobicContact CE1-CB 3.11Å; Y195-C304 HydrophobicContact CE2-CB 3.87Å; Y195-C304 HydrophobicContact CG-CB 3.71Å; Y195-I315 HydrophobicContact CD1-CB 4.42Å; Y195-I315 HydrophobicContact CD1-CG2 4.11Å; Y195-I315 HydrophobicContact CE1-CG2 4.3Å
196	T	85.4	Confident	79.4	Confident	63 Å²	63	38.4 Å²	38.4	39%	0.387	22%	0.215	S	C	.	.	H	α-helix	trans	-64.4	-42.1	170.5	-53.5	0	0	0	0	110.8	G192 K193 L194 V198 I199 N200	G192-T196 PolarHBondContact O-N 2.85Å; G192-T196 VanDerWaalsContact O-N 3.08Å; G192-T196 PolarHBondContact O-OG1 2.84Å; K193-T196 PolarHBondContact O-N 2.68Å; L194-T196 VanDerWaalsContact C-N 3.28Å; L194-T196 PolarHBondContact O-N 3.5Å; T196-V198 VanDerWaalsContact C-N 3.33Å; T196-I199 PolarHBondContact O-N 3Å; T196-N200 VanDerWaalsContact O-CG 3.24Å; T196-N200 PolarHBondContact O-N 2.75Å; T196-N200 PolarHBondContact O-OD1 3.33Å
197	K	86.3	Confident	80.2	Confident	63 Å²	63	45 Å²	45	27%	0.274	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-37.9	174.5	-67.2	177.5	-172.6	-69.8	0	111.9	K193 L194 N200 W201 Y225 H229 L231	K193-K197 WeakPolarHBondContact O-CG 3.13Å; K193-K197 PolarHBondContact O-N 3.04Å; K193-K197 VanDerWaalsContact O-N 3.16Å; L194-K197 WeakPolarHBondContact O-CB 3.42Å; L194-K197 PolarHBondContact O-N 3.05Å; L194-K197 VanDerWaalsContact O-N 3.09Å; K197-N200 PolarHBondContact O-N 2.67Å; K197-W201 WeakPolarHBondContact O-CB 3.36Å; K197-W201 PolarHBondContact O-N 2.97Å; K197-Y225 HydrophobicContact CD-CE2 3.92Å; K197-H229 WeakPolarHBondContact CE-O 3.13Å; K197-H229 PolarHBondContact NZ-O 2.91Å; K197-L231 HydrophobicContact CB-CB 4.27Å; K197-L231 HydrophobicContact CB-CD2 4.33Å
198	V	89.2	Confident	80.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-49.1	172.9	172.4	0	0	0	0	111.1	L176 L178 L194 Y195 T196 N200 W201 V202 L231 I315 L317	L176-V198 HydrophobicContact CD2-CG1 4.04Å; L178-V198 HydrophobicContact CD1-CB 4.12Å; L178-V198 HydrophobicContact CD1-CG1 3.43Å; L178-V198 VanDerWaalsContact CD1-CG1 3.43Å; L178-V198 HydrophobicContact CD1-CG2 3.54Å; L194-V198 WeakPolarHBondContact O-CG2 3.39Å; L194-V198 PolarHBondContact O-N 3.4Å; Y195-V198 PolarHBondContact O-N 3.03Å; T196-V198 VanDerWaalsContact C-N 3.33Å; V198-N200 VanDerWaalsContact C-N 3.33Å; V198-N200 PolarHBondContact O-N 3.35Å; V198-W201 WeakPolarHBondContact O-CA 3.48Å; V198-W201 WeakPolarHBondContact O-CB 3.2Å; V198-W201 PolarHBondContact O-N 3.35Å; V198-W201 VanDerWaalsContact O-N 3.08Å; V198-V202 HydrophobicContact CG1-CG2 4.35Å; V198-V202 WeakPolarHBondContact O-CG2 3.37Å; V198-V202 PolarHBondContact O-N 3.44Å; V198-L231 HydrophobicContact CG2-CD2 3.99Å; V198-I315 HydrophobicContact CG1-CD1 4.1Å; V198-I315 HydrophobicContact CG1-CG2 3.97Å; V198-L317 HydrophobicContact CG2-CD1 3.83Å
199	I	90.2	Very high	80.8	Confident	14 Å²	14	50.9 Å²	50.9	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-45.9	178	-72.5	169.1	0	0	0	110.8	Y195 T196 W201 V202 Q203 W289 I291 L308	Y195-I199 VanDerWaalsContact O-CG1 3.3Å; Y195-I199 WeakPolarHBondContact O-CG1 3.43Å; Y195-I199 PolarHBondContact O-N 3Å; T196-I199 PolarHBondContact O-N 3Å; I199-W201 PolarHBondContact O-N 3.06Å; I199-V202 PolarHBondContact O-N 2.65Å; I199-Q203 HydrophobicContact CG2-CG 4.41Å; I199-Q203 WeakPolarHBondContact O-CB 3.33Å; I199-Q203 WeakPolarHBondContact O-CG 3.4Å; I199-Q203 PolarHBondContact O-N 2.63Å; I199-W289 HydrophobicContact CG2-CB 4.25Å; I199-W289 HydrophobicContact CG2-CD2 4.46Å; I199-W289 HydrophobicContact CG2-CE3 3.93Å; I199-I291 HydrophobicContact CD1-CD1 4.2Å; I199-I291 HydrophobicContact CD1-CG1 3.61Å; I199-L308 HydrophobicContact CD1-CD2 4.4Å; I199-L308 HydrophobicContact CG1-CD2 3.7Å
200	N	88.5	Confident	81.1	Confident	70 Å²	70	52.4 Å²	52.4	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-64.6	-29.6	177.6	-69.1	-8	0	0	0	112.7	T196 K197 V198 R204	T196-N200 VanDerWaalsContact O-CG 3.24Å; T196-N200 PolarHBondContact O-N 2.75Å; T196-N200 PolarHBondContact O-OD1 3.33Å; K197-N200 PolarHBondContact O-N 2.67Å; V198-N200 VanDerWaalsContact C-N 3.33Å; V198-N200 PolarHBondContact O-N 3.35Å; N200-R204 WeakPolarHBondContact O-CG 3.39Å; N200-R204 PolarHBondContact O-N 3.47Å; N200-R204 PolarHBondContact O-NE 3.47Å
201	W	90.6	Very high	82	Confident	6 Å²	6	51.3 Å²	51.3	2%	0.023	27%	0.267	C	S	.	.	H	α-helix	trans	-70.4	-51.2	172.3	167.4	79.6	0	0	0	110.6	L176 L178 K197 V198 I199 Q203 R204 S205 L216 Q221 L223 L231 D233	L176-W201 HydrophobicContact CD1-CZ3 4.29Å; L176-W201 HydrophobicContact CD2-CZ3 4.25Å; L178-W201 HydrophobicContact CD2-CE3 4.47Å; L178-W201 HydrophobicContact CD2-CH2 4.2Å; L178-W201 HydrophobicContact CD2-CZ3 3.82Å; K197-W201 WeakPolarHBondContact O-CB 3.36Å; K197-W201 PolarHBondContact O-N 2.97Å; V198-W201 WeakPolarHBondContact O-CA 3.48Å; V198-W201 WeakPolarHBondContact O-CB 3.2Å; V198-W201 PolarHBondContact O-N 3.35Å; V198-W201 VanDerWaalsContact O-N 3.08Å; I199-W201 PolarHBondContact O-N 3.06Å; W201-Q203 VanDerWaalsContact C-N 3.28Å; W201-Q203 PolarHBondContact O-N 2.95Å; W201-R204 PolarHBondContact O-N 3.41Å; W201-S205 PolarHBondContact O-N 2.83Å; W201-S205 PolarHBondContact O-OG 3.4Å; W201-L216 HydrophobicContact CH2-CD1 4.46Å; W201-L216 HydrophobicContact CH2-CD2 3.93Å; W201-L216 HydrophobicContact CZ2-CD2 4.31Å; W201-Q221 HydrophobicContact CH2-CB 3.84Å; W201-Q221 HydrophobicContact CH2-CG 3.75Å; W201-Q221 HydrophobicContact CZ2-CB 4.22Å; W201-Q221 HydrophobicContact CZ2-CG 4.42Å; W201-L223 HydrophobicContact CD2-CD1 3.91Å; W201-L223 HydrophobicContact CD2-CD2 4.13Å; W201-L223 HydrophobicContact CE3-CD1 4.14Å; W201-L223 HydrophobicContact CG-CD1 4.27Å; W201-L223 HydrophobicContact CG-CD2 4.43Å; W201-L223 HydrophobicContact CZ2-CD2 3.85Å; W201-L231 HydrophobicContact CB-CD2 4.31Å; W201-D233 PolarHBondContact NE1-OD1 3.33Å
202	V	90	Very high	83.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-54.3	-44.6	176.1	174.9	0	0	0	0	111.5	L176 V198 I199 R204 S205 I206 L213 L216 W289 L308	L176-V202 HydrophobicContact CD2-CG2 3.55Å; V198-V202 HydrophobicContact CG1-CG2 4.35Å; V198-V202 WeakPolarHBondContact O-CG2 3.37Å; V198-V202 PolarHBondContact O-N 3.44Å; I199-V202 PolarHBondContact O-N 2.65Å; V202-R204 VanDerWaalsContact C-N 3.35Å; V202-R204 PolarHBondContact O-N 3.48Å; V202-S205 PolarHBondContact O-N 2.82Å; V202-I206 HydrophobicContact CG1-CD1 3.62Å; V202-I206 HydrophobicContact CG1-CG1 4.42Å; V202-I206 WeakPolarHBondContact O-CG1 3.44Å; V202-I206 PolarHBondContact O-N 3.08Å; V202-L213 HydrophobicContact CG1-CD1 3.98Å; V202-L216 HydrophobicContact CG1-CD1 4.11Å; V202-W289 HydrophobicContact CB-CZ3 4.45Å; V202-W289 HydrophobicContact CG1-CH2 4.08Å; V202-W289 HydrophobicContact CG1-CZ3 3.82Å; V202-L308 HydrophobicContact CG2-CD1 4.45Å
203	Q	88.9	Confident	84.6	Confident	33 Å²	33	47.9 Å²	47.9	15%	0.154	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-42.1	177.1	-78.1	178.1	-21.5	0	0	112.5	I199 W201 W207 W289	I199-Q203 HydrophobicContact CG2-CG 4.41Å; I199-Q203 WeakPolarHBondContact O-CB 3.33Å; I199-Q203 WeakPolarHBondContact O-CG 3.4Å; I199-Q203 PolarHBondContact O-N 2.63Å; W201-Q203 VanDerWaalsContact C-N 3.28Å; W201-Q203 PolarHBondContact O-N 2.95Å; Q203-W207 HydrophobicContact CB-CD2 4.34Å; Q203-W207 HydrophobicContact CB-CE3 3.9Å; Q203-W207 HydrophobicContact CB-CH2 4.01Å; Q203-W207 HydrophobicContact CB-CZ2 4.43Å; Q203-W207 HydrophobicContact CB-CZ3 3.73Å; Q203-W207 HydrophobicContact CG-CH2 3.76Å; Q203-W207 HydrophobicContact CG-CZ2 4.09Å; Q203-W207 HydrophobicContact CG-CZ3 4.01Å; Q203-W207 VanDerWaalsContact O-CB 3.25Å; Q203-W207 WeakPolarHBondContact O-CB 3.35Å; Q203-W207 VanDerWaalsContact O-CG 3.22Å; Q203-W207 PolarHBondContact O-N 3.29Å; Q203-W289 HydrophobicContact CG-CD2 3.97Å; Q203-W289 HydrophobicContact CG-CE3 4.04Å; Q203-W289 HydrophobicContact CG-CH2 3.96Å; Q203-W289 HydrophobicContact CG-CZ2 3.9Å; Q203-W289 HydrophobicContact CG-CZ3 4.03Å; Q203-W289 VanDerWaalsContact NE2-CG 3.27Å
204	R	87	Confident	85.3	Confident	98 Å²	98	51.1 Å²	51.1	37%	0.37	26%	0.26	S	S	.	.	H	α-helix	trans	-67.2	-44.3	176.3	-77.8	178.3	-75.9	156	2.4	111.4	N200 W201 V202 I206 W207 E208 N209	N200-R204 WeakPolarHBondContact O-CG 3.39Å; N200-R204 PolarHBondContact O-N 3.47Å; N200-R204 PolarHBondContact O-NE 3.47Å; W201-R204 PolarHBondContact O-N 3.41Å; V202-R204 VanDerWaalsContact C-N 3.35Å; V202-R204 PolarHBondContact O-N 3.48Å; R204-I206 VanDerWaalsContact C-N 3.32Å; R204-I206 PolarHBondContact O-N 3.25Å; R204-W207 PolarHBondContact O-N 2.88Å; R204-E208 WeakPolarHBondContact O-CA 3.29Å; R204-E208 VanDerWaalsContact O-CB 3.24Å; R204-E208 WeakPolarHBondContact O-CB 3.48Å; R204-E208 PolarHBondContact O-N 2.9Å; R204-N209 PolarHBondContact O-N 3.26Å
205	S	85.8	Confident	85.5	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.014	28%	0.283	C	S	.	.	I	π-helix	trans	-56.5	-46.1	175.2	-57	0	0	0	0	111.7	W201 V202 N209 G210 D211	W201-S205 PolarHBondContact O-N 2.83Å; W201-S205 PolarHBondContact O-OG 3.4Å; V202-S205 PolarHBondContact O-N 2.82Å; S205-N209 CarbonylContact O-C 3.52Å; S205-N209 WeakPolarHBondContact O-CA 3.16Å; S205-N209 VanDerWaalsContact O-CB 3.27Å; S205-N209 WeakPolarHBondContact O-CB 3.47Å; S205-N209 PolarHBondContact O-N 3.34Å; S205-G210 PolarHBondContact O-N 3.44Å; S205-G210 VanDerWaalsContact O-N 3.13Å; S205-D211 WeakPolarHBondContact CB-OD2 3.33Å; S205-D211 PolarHBondContact O-N 3.23Å
206	I	86.2	Confident	85.7	Confident	30 Å²	30	56.3 Å²	56.3	15%	0.154	29%	0.285	C	S	.	.	I	π-helix	trans	-71.8	-43.6	-179.5	-64.4	166.1	0	0	0	112.3	V202 R204 G210 D211 L213 L216 W289	V202-I206 HydrophobicContact CG1-CD1 3.62Å; V202-I206 HydrophobicContact CG1-CG1 4.42Å; V202-I206 WeakPolarHBondContact O-CG1 3.44Å; V202-I206 PolarHBondContact O-N 3.08Å; R204-I206 VanDerWaalsContact C-N 3.32Å; R204-I206 PolarHBondContact O-N 3.25Å; I206-G210 WeakPolarHBondContact O-CA 3.4Å; I206-D211 WeakPolarHBondContact CA-O 3.47Å; I206-D211 WeakPolarHBondContact CG1-O 3.23Å; I206-L213 HydrophobicContact CD1-CB 4.06Å; I206-L213 HydrophobicContact CD1-CD1 4.49Å; I206-L216 HydrophobicContact CG1-CD1 4.21Å; I206-W289 HydrophobicContact CD1-CH2 3.9Å
207	W	83.1	Confident	85.9	Confident	156 Å²	156	55 Å²	55	59%	0.591	27%	0.274	S	S	*	.	I	π-helix	trans	-85.2	-33.6	-173	-63.1	-23.8	0	0	0	114.5	Q203 R204 W289	Q203-W207 HydrophobicContact CB-CD2 4.34Å; Q203-W207 HydrophobicContact CB-CE3 3.9Å; Q203-W207 HydrophobicContact CB-CH2 4.01Å; Q203-W207 HydrophobicContact CB-CZ2 4.43Å; Q203-W207 HydrophobicContact CB-CZ3 3.73Å; Q203-W207 HydrophobicContact CG-CH2 3.76Å; Q203-W207 HydrophobicContact CG-CZ2 4.09Å; Q203-W207 HydrophobicContact CG-CZ3 4.01Å; Q203-W207 VanDerWaalsContact O-CB 3.25Å; Q203-W207 WeakPolarHBondContact O-CB 3.35Å; Q203-W207 VanDerWaalsContact O-CG 3.22Å; Q203-W207 PolarHBondContact O-N 3.29Å; R204-W207 PolarHBondContact O-N 2.88Å; W207-W289 HydrophobicContact CZ2-CZ2 4.44Å
208	E	78.9	Confident	85.9	Confident	146 Å²	146	59.3 Å²	59.3	68%	0.682	30%	0.296	S	S	*	.	I	π-helix	trans	-100.3	-44.5	-175	-57.9	180	173.6	0	0	111.6	R204	R204-E208 WeakPolarHBondContact O-CA 3.29Å; R204-E208 VanDerWaalsContact O-CB 3.24Å; R204-E208 WeakPolarHBondContact O-CB 3.48Å; R204-E208 PolarHBondContact O-N 2.9Å
209	N	74.4	Confident	85.6	Confident	97 Å²	97	65.8 Å²	65.8	52%	0.519	33%	0.326	S	S	.	.	I	π-helix	trans	-86.6	-17.9	-179.7	-55.2	-20	0	0	0	112.5	R204 S205 D211	R204-N209 PolarHBondContact O-N 3.26Å; S205-N209 CarbonylContact O-C 3.52Å; S205-N209 WeakPolarHBondContact O-CA 3.16Å; S205-N209 VanDerWaalsContact O-CB 3.27Å; S205-N209 WeakPolarHBondContact O-CB 3.47Å; S205-N209 PolarHBondContact O-N 3.34Å; N209-D211 VanDerWaalsContact C-N 3.32Å; N209-D211 WeakPolarHBondContact CB-OD2 3.32Å
210	G	76.8	Confident	85.4	Confident	61 Å²	61	68.4 Å²	68.4	63%	0.629	34%	0.342	S	S	*	.			trans	78	16.7	-179.5	0	0	0	0	0	113.8	S205 I206	S205-G210 PolarHBondContact O-N 3.44Å; S205-G210 VanDerWaalsContact O-N 3.13Å; I206-G210 WeakPolarHBondContact O-CA 3.4Å
211	D	82.2	Confident	85.4	Confident	52 Å²	52	67.1 Å²	67.1	28%	0.278	33%	0.334	S	S	.	.			trans	-66.9	148.3	177.2	-57.5	-39.5	0	0	0	110.4	S205 I206 N209 L216	S205-D211 WeakPolarHBondContact CB-OD2 3.33Å; S205-D211 PolarHBondContact O-N 3.23Å; I206-D211 WeakPolarHBondContact CA-O 3.47Å; I206-D211 WeakPolarHBondContact CG1-O 3.23Å; N209-D211 VanDerWaalsContact C-N 3.32Å; N209-D211 WeakPolarHBondContact CB-OD2 3.32Å; D211-L216 HydrophobicContact CB-CD2 4.28Å; D211-L216 HydrophobicContact CB-CG 4.33Å
212	S	86.8	Confident	85.2	Confident	35 Å²	35	69.4 Å²	69.4	25%	0.245	35%	0.349	C	S	.	.			trans	-86.6	151.4	166.8	66.3	0	0	0	0	111	E214 E215 L216	S212-E214 PolarHBondContact O-N 2.91Å; S212-E215 PolarHBondContact N-OE2 2.81Å; S212-E215 PolarHBondContact O-N 3.45Å; S212-E215 WeakPolarHBondContact OG-CB 3.3Å; S212-E215 WeakPolarHBondContact OG-CG 3.45Å; S212-E215 PolarHBondContact OG-N 2.96Å; S212-E215 PolarHBondContact OG-OE2 3.5Å; S212-L216 PolarHBondContact O-N 3.01Å
213	L	87.9	Confident	85.2	Confident	12 Å²	12	69.4 Å²	69.4	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-30.8	174.6	-178.2	56.7	0	0	0	111.5	V202 I206 L216 M217 L308 D309 I311	V202-L213 HydrophobicContact CG1-CD1 3.98Å; I206-L213 HydrophobicContact CD1-CB 4.06Å; I206-L213 HydrophobicContact CD1-CD1 4.49Å; L213-L216 PolarHBondContact O-N 3.2Å; L213-M217 HydrophobicContact CD1-CG 4.27Å; L213-M217 HydrophobicContact CD1-SD 3.9Å; L213-M217 HydrophobicContact CD2-SD 4.47Å; L213-M217 HydrophobicContact CG-SD 3.75Å; L213-M217 WeakPolarHBondContact O-CG 3.4Å; L213-M217 PolarHBondContact O-N 2.8Å; L213-L308 HydrophobicContact CD1-CB 4.36Å; L213-L308 HydrophobicContact CD1-CD1 4.21Å; L213-L308 HydrophobicContact CD2-CB 3.76Å; L213-L308 VanDerWaalsContact CD2-O 3.31Å; L213-L308 WeakPolarHBondContact CD2-O 3.26Å; L213-D309 HydrophobicContact CD2-CB 4.29Å; L213-I311 HydrophobicContact CD2-CB 4.2Å; L213-I311 HydrophobicContact CD2-CD1 3.87Å; L213-I311 HydrophobicContact CD2-CG1 4.2Å
214	E	87.4	Confident	84.9	Confident	133 Å²	133	70.2 Å²	70.2	62%	0.621	35%	0.351	S	S	*	.	H	α-helix	trans	-62.5	-48.7	175	-69.1	128.3	-176.9	0	0	111.5	S212 L216 M217 E218	S212-E214 PolarHBondContact O-N 2.91Å; E214-L216 VanDerWaalsContact C-N 3.33Å; E214-L216 PolarHBondContact O-N 2.92Å; E214-M217 PolarHBondContact O-N 2.8Å; E214-E218 PolarHBondContact O-N 3.32Å; E214-E218 VanDerWaalsContact O-N 3.1Å
215	E	85.8	Confident	84.8	Confident	105 Å²	105	65.9 Å²	65.9	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-41.3	177.3	-75.2	160.1	161.8	0	0	112.2	S212 M217 E218	S212-E215 PolarHBondContact N-OE2 2.81Å; S212-E215 PolarHBondContact O-N 3.45Å; S212-E215 WeakPolarHBondContact OG-CB 3.3Å; S212-E215 WeakPolarHBondContact OG-CG 3.45Å; S212-E215 PolarHBondContact OG-N 2.96Å; S212-E215 PolarHBondContact OG-OE2 3.5Å; E215-M217 PolarHBondContact O-N 3.07Å; E215-E218 PolarHBondContact O-N 2.69Å
216	L	87.8	Confident	84.4	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.037	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-25.5	176.8	-65.5	177.1	0	0	0	112.9	L176 W201 V202 I206 D211 S212 L213 E214 Q221	L176-L216 HydrophobicContact CD1-CB 4.13Å; L176-L216 WeakPolarHBondContact CD1-O 3.25Å; W201-L216 HydrophobicContact CH2-CD1 4.46Å; W201-L216 HydrophobicContact CH2-CD2 3.93Å; W201-L216 HydrophobicContact CZ2-CD2 4.31Å; V202-L216 HydrophobicContact CG1-CD1 4.11Å; I206-L216 HydrophobicContact CG1-CD1 4.21Å; D211-L216 HydrophobicContact CB-CD2 4.28Å; D211-L216 HydrophobicContact CB-CG 4.33Å; S212-L216 PolarHBondContact O-N 3.01Å; L213-L216 PolarHBondContact O-N 3.2Å; E214-L216 VanDerWaalsContact C-N 3.33Å; E214-L216 PolarHBondContact O-N 2.92Å; L216-Q221 WeakPolarHBondContact O-CG 3.4Å; L216-Q221 PolarHBondContact O-NE2 3.13Å; L216-Q221 VanDerWaalsContact O-NE2 3.1Å
217	M	90.3	Very high	83.6	Confident	35 Å²	35	67.6 Å²	67.6	17%	0.172	35%	0.352	C	S	.	.	H	α-helix	trans	-95.3	-13.8	-176.3	-65.6	174.1	86.8	0	0	113.6	P174 R175 L176 L213 E214 E215 C313	P174-M217 HydrophobicContact CB-CE 3.25Å; P174-M217 HydrophobicContact CB-SD 4.34Å; R175-M217 VanDerWaalsContact C-CE 3.41Å; R175-M217 WeakPolarHBondContact O-CB 3.44Å; L176-M217 HydrophobicContact CB-CG 4.25Å; L176-M217 HydrophobicContact CD1-CG 4.29Å; L213-M217 HydrophobicContact CD1-CG 4.27Å; L213-M217 HydrophobicContact CD1-SD 3.9Å; L213-M217 HydrophobicContact CD2-SD 4.47Å; L213-M217 HydrophobicContact CG-SD 3.75Å; L213-M217 WeakPolarHBondContact O-CG 3.4Å; L213-M217 PolarHBondContact O-N 2.8Å; E214-M217 PolarHBondContact O-N 2.8Å; E215-M217 PolarHBondContact O-N 3.07Å; M217-C313 HydrophobicContact CE-CB 3.77Å
218	E	85.3	Confident	83.2	Confident	154 Å²	154	64.3 Å²	64.3	72%	0.72	35%	0.346	S	S	*	.	H	α-helix	trans	-68.6	-42.8	174.9	-75.5	-176.3	168.8	0	0	111.8	E214 E215	E214-E218 PolarHBondContact O-N 3.32Å; E214-E218 VanDerWaalsContact O-N 3.1Å; E215-E218 PolarHBondContact O-N 2.69Å
219	E	82.9	Confident	82.9	Confident	136 Å²	136	62.1 Å²	62.1	64%	0.636	34%	0.336	S	S	*	.	S	Bend	trans	-113.6	160	-174.1	-68.1	-63.8	160.9	0	0	113.2	Q221	E219-Q221 PolarHBondContact O-N 3.18Å; E219-Q221 PolarHBondContact O-NE2 2.88Å
220	V	86	Confident	83.2	Confident	68 Å²	68	63 Å²	63	41%	0.412	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-78.5	119.4	172.7	-180	0	0	0	0	109.2	K177 E179	K177-V220 HydrophobicContact CB-CG1 4.49Å; K177-V220 HydrophobicContact CB-CG2 4.07Å; K177-V220 HydrophobicContact CD-CG2 4.14Å; E179-V220 HydrophobicContact CB-CG1 4.3Å; E179-V220 HydrophobicContact CG-CG1 3.67Å
221	Q	89.5	Confident	83.4	Confident	43 Å²	43	60.3 Å²	60.3	20%	0.201	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.6	-176.1	-50.8	-66.3	-29	0	0	109.7	L176 K177 L178 E179 W201 L216 E219	L176-Q221 HydrophobicContact CD1-CG 4.42Å; K177-Q221 PolarHBondContact O-N 3.5Å; L178-Q221 CarbonylContact C-O 3.55Å; L178-Q221 WeakPolarHBondContact CA-O 3.48Å; L178-Q221 HydrophobicContact CD2-CB 3.63Å; L178-Q221 HydrophobicContact CD2-CG 4.16Å; E179-Q221 PolarHBondContact N-O 3.36Å; W201-Q221 HydrophobicContact CH2-CB 3.84Å; W201-Q221 HydrophobicContact CH2-CG 3.75Å; W201-Q221 HydrophobicContact CZ2-CB 4.22Å; W201-Q221 HydrophobicContact CZ2-CG 4.42Å; L216-Q221 WeakPolarHBondContact O-CG 3.4Å; L216-Q221 PolarHBondContact O-NE2 3.13Å; L216-Q221 VanDerWaalsContact O-NE2 3.1Å; E219-Q221 PolarHBondContact O-N 3.18Å; E219-Q221 PolarHBondContact O-NE2 2.88Å
222	T	87.4	Confident	83.3	Confident	54 Å²	54	61.2 Å²	61.2	33%	0.331	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.6	178.6	-55.7	0	0	0	0	109.9	E179 M181 G234	E179-T222 CarbonylContact O-C 3.47Å; E179-T222 WeakPolarHBondContact O-CA 3.31Å; M181-T222 HydrophobicContact CG-CG2 4.35Å; M181-T222 HydrophobicContact SD-CG2 4.28Å; T222-G234 WeakPolarHBondContact O-CA 3.27Å; T222-G234 PolarHBondContact O-N 3.4Å
223	L	88.3	Confident	82.9	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.4	-178.5	-55.1	177.7	0	0	0	110.4	L178 E179 V180 M181 W201 L231 L232	L178-L223 HydrophobicContact CD1-CD1 4.3Å; L178-L223 HydrophobicContact CD2-CD1 4.13Å; E179-L223 PolarHBondContact O-N 3.02Å; V180-L223 CarbonylContact C-O 3.57Å; V180-L223 VanDerWaalsContact CA-O 3.31Å; V180-L223 WeakPolarHBondContact CA-O 3.42Å; V180-L223 HydrophobicContact CG2-CB 4.39Å; M181-L223 PolarHBondContact N-O 3.23Å; W201-L223 HydrophobicContact CD2-CD1 3.91Å; W201-L223 HydrophobicContact CD2-CD2 4.13Å; W201-L223 HydrophobicContact CE3-CD1 4.14Å; W201-L223 HydrophobicContact CG-CD1 4.27Å; W201-L223 HydrophobicContact CG-CD2 4.43Å; W201-L223 HydrophobicContact CZ2-CD2 3.85Å; L223-L231 HydrophobicContact CB-CD1 3.79Å; L223-L231 HydrophobicContact CB-CG 4.08Å; L223-L231 HydrophobicContact CD1-CD1 4.11Å; L223-L231 HydrophobicContact CD1-CD2 3.58Å; L223-L231 HydrophobicContact CD1-CG 3.77Å; L223-L231 HydrophobicContact CG-CG 4.48Å; L223-L232 CarbonylContact C-O 3.6Å; L223-L232 VanDerWaalsContact CA-O 3.24Å; L223-L232 WeakPolarHBondContact CA-O 3.47Å; L223-L232 WeakPolarHBondContact CB-O 3.25Å
224	Y	82.9	Confident	81.5	Confident	49 Å²	49	62.2 Å²	62.2	19%	0.192	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.1	173.3	-175.4	-103.2	0	0	0	110	M181 E183 L231 L232 L237	M181-Y224 HydrophobicContact CB-CD2 4Å; E183-Y224 WeakPolarHBondContact CB-OH 3.2Å; E183-Y224 WeakPolarHBondContact CG-OH 3.32Å; E183-Y224 PolarHBondContact OE2-OH 2.82Å; Y224-L231 WeakPolarHBondContact O-CA 3.49Å; Y224-L232 PolarHBondContact N-O 2.73Å; Y224-L232 PolarHBondContact O-N 3.46Å; Y224-L237 HydrophobicContact CD1-CD1 4.47Å; Y224-L237 HydrophobicContact CD2-CD1 3.87Å; Y224-L237 HydrophobicContact CE2-CD1 4.45Å; Y224-L237 HydrophobicContact CG-CD1 3.87Å
225	Y	84.4	Confident	80	Confident	7 Å²	7	63 Å²	63	3%	0.027	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	106.1	174.1	-169.4	-103.9	0	0	0	110	M181 L182 E183 V186 L188 K197 H229 K230 L231	M181-Y225 PolarHBondContact O-N 3.37Å; L182-Y225 HydrophobicContact CD2-CD1 3.77Å; L182-Y225 HydrophobicContact CD2-CG 4.22Å; E183-Y225 PolarHBondContact N-O 2.83Å; V186-Y225 HydrophobicContact CG1-CD1 3.48Å; V186-Y225 VanDerWaalsContact CG1-CD1 3.48Å; V186-Y225 HydrophobicContact CG1-CE1 3.45Å; V186-Y225 VanDerWaalsContact CG1-CE1 3.45Å; L188-Y225 HydrophobicContact CD2-CD1 4.29Å; L188-Y225 HydrophobicContact CD2-CD2 4.39Å; L188-Y225 HydrophobicContact CD2-CG 4.09Å; K197-Y225 HydrophobicContact CD-CE2 3.92Å; Y225-H229 AromaticContact CE1-ND1 3.88Å; Y225-H229 HydrophobicContact CE2-CB 4.46Å; Y225-H229 AromaticContact CZ-ND1 3.88Å; Y225-H229 WeakPolarHBondContact OH-CB 3.19Å; Y225-H229 PolarHBondContact OH-ND1 2.72Å; Y225-K230 WeakPolarHBondContact CA-O 3.47Å; Y225-K230 WeakPolarHBondContact CD2-O 3.33Å; Y225-L231 HydrophobicContact CD2-CD1 4.2Å
226	S	77.6	Confident	78.2	Confident	11 Å²	11	64.3 Å²	64.3	8%	0.077	34%	0.336	C	S	.	.			trans	-82.5	162	-174.3	46.9	0	0	0	0	112.9	D228 H229 K230	S226-D228 WeakPolarHBondContact CB-OD1 3.33Å; S226-D228 PolarHBondContact O-N 3.09Å; S226-D228 PolarHBondContact OG-OD1 3.48Å; S226-H229 WeakPolarHBondContact O-CA 3.35Å; S226-H229 PolarHBondContact O-N 2.99Å; S226-K230 PolarHBondContact N-O 2.99Å; S226-K230 WeakPolarHBondContact OG-CB 3.44Å; S226-K230 PolarHBondContact OG-N 3.05Å; S226-K230 PolarHBondContact OG-O 2.87Å
227	A	70.4	Confident	76.3	Confident	57 Å²	57	69.3 Å²	69.3	47%	0.471	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.7	174.9	0	0	0	0	0	113.7	E183 V186 H229	E183-A227 VanDerWaalsContact OE2-CB 3.23Å; E183-A227 WeakPolarHBondContact OE2-CB 3.42Å; E183-A227 PolarHBondContact OE2-N 3.31Å; V186-A227 HydrophobicContact CG2-CB 4.41Å; A227-H229 PolarHBondContact O-N 3.11Å
228	D	73.5	Confident	73.7	Confident	87 Å²	87	75.8 Å²	75.8	47%	0.465	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	13	172	75.9	-20.8	0	0	0	113.4	S226 K230	S226-D228 WeakPolarHBondContact CB-OD1 3.33Å; S226-D228 PolarHBondContact O-N 3.09Å; S226-D228 PolarHBondContact OG-OD1 3.48Å; D228-K230 VanDerWaalsContact C-N 3.28Å; D228-K230 PolarHBondContact O-N 3.3Å; D228-K230 PolarHBondContact OD1-N 3.43Å; D228-K230 WeakPolarHBondContact OD2-CD 3.36Å; D228-K230 WeakPolarHBondContact OD2-CE 3.27Å; D228-K230 IonicContact OD2-NZ 3.47Å; D228-K230 PolarHBondContact OD2-NZ 3.26Å
229	H	74	Confident	71.4	Confident	101 Å²	101	71.3 Å²	71.3	47%	0.468	39%	0.393	S	S	.	.			trans	61.3	28.4	177.1	-55.6	-42.7	0	0	0	114.3	K197 Y225 S226 A227	K197-H229 WeakPolarHBondContact CE-O 3.13Å; K197-H229 PolarHBondContact NZ-O 2.91Å; Y225-H229 AromaticContact CE1-ND1 3.88Å; Y225-H229 HydrophobicContact CE2-CB 4.46Å; Y225-H229 AromaticContact CZ-ND1 3.88Å; Y225-H229 WeakPolarHBondContact OH-CB 3.19Å; Y225-H229 PolarHBondContact OH-ND1 2.72Å; S226-H229 WeakPolarHBondContact O-CA 3.35Å; S226-H229 PolarHBondContact O-N 2.99Å; A227-H229 PolarHBondContact O-N 3.11Å
230	K	79.3	Confident	68.9	Low	116 Å²	116	74.2 Å²	74.2	50%	0.504	41%	0.406	S	S	.	.			trans	-92	152.8	172.6	-66.5	-178.9	-172.8	139.6	0	111	Y225 S226 D228 L232	Y225-K230 WeakPolarHBondContact CA-O 3.47Å; Y225-K230 WeakPolarHBondContact CD2-O 3.33Å; S226-K230 PolarHBondContact N-O 2.99Å; S226-K230 WeakPolarHBondContact OG-CB 3.44Å; S226-K230 PolarHBondContact OG-N 3.05Å; S226-K230 PolarHBondContact OG-O 2.87Å; D228-K230 VanDerWaalsContact C-N 3.28Å; D228-K230 PolarHBondContact O-N 3.3Å; D228-K230 PolarHBondContact OD1-N 3.43Å; D228-K230 WeakPolarHBondContact OD2-CD 3.36Å; D228-K230 WeakPolarHBondContact OD2-CE 3.27Å; D228-K230 IonicContact OD2-NZ 3.47Å; D228-K230 PolarHBondContact OD2-NZ 3.26Å; K230-L232 HydrophobicContact CB-CD2 4.33Å; K230-L232 HydrophobicContact CB-CG 4.32Å
231	L	81.7	Confident	66.3	Low	4 Å²	4	75.6 Å²	75.6	2%	0.021	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.8	172.6	-165.5	70	0	0	0	107	V180 K197 V198 W201 L223 Y224 Y225	V180-L231 HydrophobicContact CG1-CD1 3.87Å; V180-L231 HydrophobicContact CG2-CD1 4.25Å; K197-L231 HydrophobicContact CB-CB 4.27Å; K197-L231 HydrophobicContact CB-CD2 4.33Å; V198-L231 HydrophobicContact CG2-CD2 3.99Å; W201-L231 HydrophobicContact CB-CD2 4.31Å; L223-L231 HydrophobicContact CB-CD1 3.79Å; L223-L231 HydrophobicContact CB-CG 4.08Å; L223-L231 HydrophobicContact CD1-CD1 4.11Å; L223-L231 HydrophobicContact CD1-CD2 3.58Å; L223-L231 HydrophobicContact CD1-CG 3.77Å; L223-L231 HydrophobicContact CG-CG 4.48Å; Y224-L231 WeakPolarHBondContact O-CA 3.49Å; Y225-L231 HydrophobicContact CD2-CD1 4.2Å
232	L	80.1	Confident	63.4	Low	70 Å²	70	82 Å²	82	37%	0.366	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	155.9	-172.3	-59	175	0	0	0	110.3	L223 Y224 K230 G234	L223-L232 CarbonylContact C-O 3.6Å; L223-L232 VanDerWaalsContact CA-O 3.24Å; L223-L232 WeakPolarHBondContact CA-O 3.47Å; L223-L232 WeakPolarHBondContact CB-O 3.25Å; Y224-L232 PolarHBondContact N-O 2.73Å; Y224-L232 PolarHBondContact O-N 3.46Å; K230-L232 HydrophobicContact CB-CD2 4.33Å; K230-L232 HydrophobicContact CB-CG 4.32Å; L232-G234 PolarHBondContact O-N 2.87Å
233	D	77.7	Confident	60.6	Low	49 Å²	49	85.5 Å²	85.5	26%	0.262	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	131	175.2	-67.6	-48.3	0	0	0	111.2	W201 N235 L236	W201-D233 PolarHBondContact NE1-OD1 3.33Å; D233-N235 PolarHBondContact O-N 3.37Å; D233-L236 HydrophobicContact CB-CD1 4.24Å; D233-L236 PolarHBondContact O-N 3.08Å
234	G	59.1	Low	57.8	Low	19 Å²	19	95.5 Å²	95.5	20%	0.196	52%	0.519	C	S	.	.	G	3₁₀ helix	trans	-65.1	-19.1	177.9	0	0	0	0	0	113.7	T222 L232 L236	T222-G234 WeakPolarHBondContact O-CA 3.27Å; T222-G234 PolarHBondContact O-N 3.4Å; L232-G234 PolarHBondContact O-N 2.87Å; G234-L236 PolarHBondContact O-N 3.09Å
235	N	55.3	Low	55	Low	150 Å²	150	96.8 Å²	96.8	80%	0.802	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-74.4	-8.7	179.6	-65.4	-17.7	0	0	0	113.7	D233	D233-N235 PolarHBondContact O-N 3.37Å
236	L	48.2	Very low	52.4	Low	132 Å²	132	101.4 Å²	101.4	69%	0.691	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-89.4	-4.6	-179.4	-81.6	160.6	0	0	0	114.4	D233 G234	D233-L236 HydrophobicContact CB-CD1 4.24Å; D233-L236 PolarHBondContact O-N 3.08Å; G234-L236 PolarHBondContact O-N 3.09Å
237	L	48.3	Very low	50	Low	112 Å²	112	107.9 Å²	107.9	59%	0.586	62%	0.615	S	S	*	*	S	Bend	trans	-91.4	-13.6	-176.9	-72.1	166.3	0	0	0	114	Y224 G239	Y224-L237 HydrophobicContact CD1-CD1 4.47Å; Y224-L237 HydrophobicContact CD2-CD1 3.87Å; Y224-L237 HydrophobicContact CE2-CD1 4.45Å; Y224-L237 HydrophobicContact CG-CD1 3.87Å; L237-G239 PolarHBondContact O-N 3.16Å
238	D	35.3	Very low	48	Very low	172 Å²	172	112.2 Å²	112.2	92%	0.92	63%	0.63	S	S	*	*	S	Bend	trans	-94.1	72.1	174.1	-113.4	-1.2	0	0	0	110.2
239	G	36.9	Very low	46	Very low	59 Å²	59	114.8 Å²	114.8	61%	0.608	64%	0.644	S	S	*	*	S	Bend	trans	133.7	69.1	163.6	0	0	0	0	0	116.6	L237	L237-G239 PolarHBondContact O-N 3.16Å
240	Q	30.4	Very low	43.7	Very low	197 Å²	197	118.8 Å²	118.8	92%	0.921	66%	0.662	S	S	*	*			trans	-160.2	67.8	148	-109.1	167.9	43	0	0	110.7
241	A	32.2	Very low	41.2	Very low	97 Å²	97	121.7 Å²	121.7	80%	0.802	68%	0.681	S	S	*	*			trans	-88.8	106.9	145.8	0	0	0	0	0	106.3
242	E	29.3	Very low	38.5	Very low	179 Å²	179	129.8 Å²	129.8	84%	0.836	72%	0.719	S	S	*	*			trans	171.1	120.1	140	-94	-177.5	-171.8	0	0	113.2
243	V	28.3	Very low	35.8	Very low	126 Å²	126	135.8 Å²	135.8	76%	0.764	74%	0.743	S	S	*	*			trans	76.8	112.5	137.5	-170.2	0	0	0	0	121.3
244	F	28	Very low	33.3	Very low	211 Å²	211	139 Å²	139	93%	0.925	76%	0.764	S	S	*	*			trans	-6.1	145.6	147.7	-73.6	-93	0	0	0	120.4
245	G	24.5	Very low	31.8	Very low	76 Å²	76	146 Å²	146	78%	0.784	79%	0.791	S	S	*	*			trans	163.6	117.8	145.5	0	0	0	0	0	115.3
246	S	31.3	Very low	30.3	Very low	104 Å²	104	148.2 Å²	148.2	73%	0.727	79%	0.794	S	S	*	*			trans	-58.2	142.4	162.5	49.3	0	0	0	0	112.9
247	D	26.2	Very low	29.2	Very low	148 Å²	148	150.4 Å²	150.4	79%	0.791	80%	0.798	S	S	*	*			trans	140.4	135.8	135.8	-73.7	-20.3	0	0	0	114.4
248	D	27.8	Very low	28.2	Very low	147 Å²	147	150.7 Å²	150.7	79%	0.786	81%	0.806	S	S	*	*			trans	62.5	107.9	153.4	-82.9	-14.9	0	0	0	121.9
249	D	32.3	Very low	27.8	Very low	142 Å²	142	148.7 Å²	148.7	76%	0.759	80%	0.803	S	S	*	*				7.1	111.6	119.1	-80.3	-24.3	0	0	0	116.3
250	H	25.1	Very low	27.4	Very low	185 Å²	185	157.4 Å²	157.4	86%	0.856	82%	0.817	S	S	*	*				165.8	99.7	129.8	-88	-49.6	0	0	0	110.4
251	I	27	Very low	27.6	Very low	176 Å²	176	156.6 Å²	156.6	90%	0.903	81%	0.814	S	S	*	*			trans	-140	129.1	144.1	-60.4	-171.1	0	0	0	110.4
252	Q	24.8	Very low	27.3	Very low	174 Å²	174	160 Å²	160	81%	0.813	82%	0.818	S	S	*	*			trans	-66.3	144.5	-171.2	-70.3	166.8	-24	0	0	114.8	V254	Q252-V254 PolarHBondContact O-N 3.45Å
253	F	24.1	Very low	27.1	Very low	196 Å²	196	155.2 Å²	155.2	86%	0.86	82%	0.816	S	S	*	*			trans	-55.5	122.3	158.4	-81.8	-97	0	0	0	111.6
254	V	23.8	Very low	27.1	Very low	118 Å²	118	158.4 Å²	158.4	72%	0.715	82%	0.823	S	S	*	*			trans	-119.5	92.6	154.6	-179	0	0	0	0	108.5	Q252 K256	Q252-V254 PolarHBondContact O-N 3.45Å; V254-K256 HydrophobicContact CG1-CG 4.49Å; V254-K256 PolarHBondContact O-N 3.01Å
255	Q	28	Very low	27	Very low	164 Å²	164	158.4 Å²	158.4	77%	0.766	82%	0.822	S	S	*	*			trans	-64.3	112.3	159.7	-75.7	-179.1	-13.4	0	0	108.9
256	K	24.1	Very low	27.1	Very low	198 Å²	198	163.7 Å²	163.7	86%	0.861	83%	0.827	S	S	*	*			trans	-97.6	105.4	158.1	-94.3	-176.6	177.3	175.4	0	109.4	V254	V254-K256 HydrophobicContact CG1-CG 4.49Å; V254-K256 PolarHBondContact O-N 3.01Å
257	K	25.6	Very low	26.8	Very low	178 Å²	178	167 Å²	167	77%	0.774	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-62.5	150.3	163.8	-79.8	176.2	175.3	172.3	0	110.6
258	P	26.3	Very low	26.7	Very low	117 Å²	117	165 Å²	165	76%	0.76	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-72.3	141.1	172.6	29.7	-31.7	0	0	0	110.7
259	P	27.3	Very low	26.5	Very low	130 Å²	130	163.2 Å²	163.2	84%	0.844	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-77.7	140	176.7	-6.2	23.2	0	0	0	111.8
260	R	29.6	Very low	26	Very low	243 Å²	243	161.4 Å²	161.4	92%	0.917	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-76.7	151.3	167.3	-76.4	176.2	168.6	168.8	-4.6	111.4
261	E	33	Very low	26	Very low	180 Å²	180	157.7 Å²	157.7	84%	0.841	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-56.8	140.6	172	-65.9	175	135.7	0	0	114.2
262	N	26.2	Very low	25.9	Very low	169 Å²	169	156 Å²	156	90%	0.904	82%	0.823	S	S	*	*				166.9	135.2	122.5	-92.6	-27.7	0	0	0	111.4
263	G	25.6	Very low	25.9	Very low	77 Å²	77	151.3 Å²	151.3	79%	0.794	82%	0.821	S	S	*	*			trans	160.6	92.3	164.6	0	0	0	0	0	116
264	H	27.7	Very low	25.9	Very low	193 Å²	193	148.4 Å²	148.4	89%	0.894	82%	0.823	S	S	*	*			trans	-45.1	143.9	168.3	-75.9	-60.8	0	0	0	115.7
265	K	27.3	Very low	26	Very low	211 Å²	211	151.8 Å²	151.8	92%	0.917	84%	0.836	S	S	*	*			trans	-156.9	125.7	132.6	-110.4	172.4	-173.5	-179.5	0	112.2
266	Q	25.2	Very low	25.9	Very low	187 Å²	187	149.6 Å²	149.6	87%	0.874	84%	0.839	S	S	*	*			trans	-68.5	141.2	175.7	-69.3	172.7	-41.4	0	0	112.2
267	I	25.8	Very low	26.1	Very low	173 Å²	173	145.8 Å²	145.8	89%	0.887	84%	0.837	S	S	*	*			trans	-140.6	132.6	137.9	-59.6	-175.7	0	0	0	107.9
268	S	23.5	Very low	26.3	Very low	106 Å²	106	142.8 Å²	142.8	74%	0.741	84%	0.836	S	S	*	*			trans	-89.1	144.4	-171.4	52.1	0	0	0	0	114.4
269	S	23.7	Very low	26.5	Very low	110 Å²	110	145 Å²	145	77%	0.769	84%	0.841	S	S	*	*				-178.5	113.2	124.1	55.7	0	0	0	0	114.3
270	S	23.2	Very low	26.6	Very low	105 Å²	105	143 Å²	143	73%	0.734	84%	0.836	S	S	*	*			trans	55.7	118.9	140.2	60.2	0	0	0	0	124.6
271	S	24.1	Very low	26.5	Very low	107 Å²	107	137.4 Å²	137.4	75%	0.748	83%	0.829	S	S	*	*			trans	67.1	130.4	135.5	66.7	0	0	0	0	118.4
272	T	25.7	Very low	26.4	Very low	141 Å²	141	135.2 Å²	135.2	87%	0.865	83%	0.828	S	S	*	*			cis	-157.4	150.6	34	31.7	0	0	0	0	109.6
273	G	24.2	Very low	26.8	Very low	75 Å²	75	134.4 Å²	134.4	77%	0.773	82%	0.818	S	S	*	*			trans	-81.9	164.9	-168.1	0	0	0	0	0	117.8
274	C	23.8	Very low	27.1	Very low	134 Å²	134	135 Å²	135	91%	0.905	81%	0.811	S	S	*	*			trans	-163.9	131.7	146	-102.6	0	0	0	0	108.4
275	L	25.6	Very low	27.8	Very low	190 Å²	190	131 Å²	131	100%	0.995	80%	0.802	S	S	*	*			trans	-73.3	126.2	-179.9	-77	139.1	0	0	0	110.4
276	S	26.5	Very low	29.1	Very low	118 Å²	118	128.6 Å²	128.6	83%	0.825	79%	0.791	S	S	*	*			trans	-114.1	132.3	168.8	46.9	0	0	0	0	111
277	S	28.9	Very low	31.2	Very low	118 Å²	118	125.4 Å²	125.4	83%	0.825	78%	0.776	S	S	*	*			trans	-64	153	178.9	-73.3	0	0	0	0	113.7
278	P	29.4	Very low	33.9	Very low	115 Å²	115	120.4 Å²	120.4	75%	0.747	75%	0.749	S	S	*	*	S	Bend	trans	-88.6	117.6	175.3	33.9	-27.4	0	0	0	110.4
279	N	29.9	Very low	37.1	Very low	162 Å²	162	117.9 Å²	117.9	87%	0.866	72%	0.723	S	S	*	*			trans	158.7	60.4	148.1	-82	-15.5	0	0	0	110.9
280	A	30.3	Very low	40.2	Very low	89 Å²	89	115.4 Å²	115.4	74%	0.736	70%	0.699	S	S	*	*			trans	-110	92.7	151.9	0	0	0	0	0	106.2	V282	A280-V282 PolarHBondContact O-N 3.47Å
281	T	27.4	Very low	43.5	Very low	125 Å²	125	112.7 Å²	112.7	77%	0.767	68%	0.676	S	S	*	*			trans	-64.6	91.6	159	40.4	0	0	0	0	106.7	Q283	T281-Q283 VanDerWaalsContact C-N 3.28Å; T281-Q283 PolarHBondContact O-N 3.3Å
282	V	30.4	Very low	46.7	Very low	134 Å²	134	108.1 Å²	108.1	81%	0.812	64%	0.643	S	S	*	*			trans	-59.7	100.3	159.4	177.7	0	0	0	0	105	A280 S284	A280-V282 PolarHBondContact O-N 3.47Å; V282-S284 PolarHBondContact O-N 3.14Å
283	Q	35.2	Very low	49.9	Very low	152 Å²	152	101.4 Å²	101.4	71%	0.71	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-62.9	118.4	171.7	-75.6	179	-9.8	0	0	106.7	T281	T281-Q283 VanDerWaalsContact C-N 3.28Å; T281-Q283 PolarHBondContact O-N 3.3Å
284	S	31.7	Very low	53.2	Low	91 Å²	91	98.9 Å²	98.9	64%	0.636	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-51.2	142.3	163.4	51.7	0	0	0	0	109.1	V282 K286	V282-S284 PolarHBondContact O-N 3.14Å; S284-K286 PolarHBondContact O-N 2.76Å
285	P	42	Very low	56.2	Low	109 Å²	109	96.1 Å²	96.1	71%	0.708	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-55.6	121.3	178.1	22.6	-30.4	0	0	0	108.4	H287	P285-H287 PolarHBondContact O-N 2.85Å
286	K	54.9	Low	59.1	Low	160 Å²	160	90.6 Å²	90.6	70%	0.696	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-73.2	117.3	172.8	-76.8	-178.6	177	178.4	0	106.3	S284 E288	S284-K286 PolarHBondContact O-N 2.76Å; K286-E288 PolarHBondContact O-N 2.87Å
287	H	69.1	Low	61.7	Low	119 Å²	119	88.1 Å²	88.1	55%	0.551	49%	0.494	S	S	*	.			trans	-63.9	76.5	167.3	-60.9	-74.7	0	0	0	108.9	P285 D309	P285-H287 PolarHBondContact O-N 2.85Å; H287-D309 WeakPolarHBondContact CA-OD1 3.31Å; H287-D309 WeakPolarHBondContact CB-OD1 3.42Å; H287-D309 IonicContact CE1-OD1 2.7Å; H287-D309 IonicContact CG-OD1 3.78Å; H287-D309 IonicContact ND1-OD1 2.87Å; H287-D309 PolarHBondContact ND1-OD1 2.96Å; H287-D309 IonicContact ND1-OD2 3.81Å
288	E	83.4	Confident	64.2	Low	69 Å²	69	85.1 Å²	85.1	32%	0.322	47%	0.473	S	S	.	.			trans	-87.4	127.2	-178.7	-173.7	176.6	-177.4	0	0	109.7	K286 V307 D309 G310	K286-E288 PolarHBondContact O-N 2.87Å; E288-V307 HydrophobicContact CB-CG1 4.16Å; E288-V307 HydrophobicContact CG-CG1 4.2Å; E288-D309 PolarHBondContact O-N 3.34Å; E288-G310 PolarHBondContact O-N 2.64Å
289	W	89.3	Confident	66.2	Low	52 Å²	52	86 Å²	86	20%	0.197	47%	0.472	C	S	.	.			trans	-124.8	112.9	179.1	-58.2	89.9	0	0	0	108.5	I199 V202 Q203 I206 W207 V307 L308 D309	I199-W289 HydrophobicContact CG2-CB 4.25Å; I199-W289 HydrophobicContact CG2-CD2 4.46Å; I199-W289 HydrophobicContact CG2-CE3 3.93Å; V202-W289 HydrophobicContact CB-CZ3 4.45Å; V202-W289 HydrophobicContact CG1-CH2 4.08Å; V202-W289 HydrophobicContact CG1-CZ3 3.82Å; Q203-W289 HydrophobicContact CG-CD2 3.97Å; Q203-W289 HydrophobicContact CG-CE3 4.04Å; Q203-W289 HydrophobicContact CG-CH2 3.96Å; Q203-W289 HydrophobicContact CG-CZ2 3.9Å; Q203-W289 HydrophobicContact CG-CZ3 4.03Å; Q203-W289 VanDerWaalsContact NE2-CG 3.27Å; I206-W289 HydrophobicContact CD1-CH2 3.9Å; W207-W289 HydrophobicContact CZ2-CZ2 4.44Å; W289-V307 WeakPolarHBondContact CA-O 3.19Å; W289-L308 HydrophobicContact CE3-CB 4.29Å; W289-L308 HydrophobicContact CE3-CD2 3.87Å; W289-L308 HydrophobicContact CZ3-CB 3.92Å; W289-L308 HydrophobicContact CZ3-CD2 3.96Å; W289-D309 HydrophobicContact CH2-CB 3.73Å; W289-D309 HydrophobicContact CZ2-CB 3.68Å; W289-D309 HydrophobicContact CZ3-CB 4.46Å
290	K	90.1	Very high	68.7	Low	58 Å²	58	81.1 Å²	81.1	25%	0.252	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	133.5	-173.2	-173.2	-179.3	-178.1	-172.8	0	112	D154 A306 V307	D154-K290 IonicContact OD2-NZ 2.72Å; D154-K290 PolarHBondContact OD2-NZ 2.84Å; K290-A306 CarbonylContact O-C 3.58Å; K290-A306 WeakPolarHBondContact O-CA 3.3Å; K290-A306 WeakPolarHBondContact O-CB 3.43Å; K290-V307 HydrophobicContact CB-CB 4.31Å; K290-V307 PolarHBondContact N-O 2.85Å; K290-V307 PolarHBondContact O-N 2.82Å
291	I	91.1	Very high	71.3	Confident	49 Å²	49	77.9 Å²	77.9	25%	0.251	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.4	164.1	-60.2	163.2	0	0	0	107.6	I199	I199-I291 HydrophobicContact CD1-CD1 4.2Å; I199-I291 HydrophobicContact CD1-CG1 3.61Å
292	V	92.6	Very high	74.3	Confident	11 Å²	11	72.2 Å²	72.2	7%	0.067	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-51.6	-179.3	175.8	0	0	0	0	110.2	D154 I157 L305 V307 F312	D154-V292 HydrophobicContact CB-CG1 4.21Å; D154-V292 WeakPolarHBondContact OD1-CG1 3.45Å; I157-V292 HydrophobicContact CG2-CG1 4.27Å; V292-L305 WeakPolarHBondContact CA-O 3.28Å; V292-L305 HydrophobicContact CB-CB 4.13Å; V292-L305 WeakPolarHBondContact CB-O 3.39Å; V292-L305 PolarHBondContact N-O 3.29Å; V292-V307 HydrophobicContact CG2-CG2 4.19Å; V292-F312 HydrophobicContact CB-CE2 4.22Å; V292-F312 HydrophobicContact CG1-CE2 4.29Å; V292-F312 HydrophobicContact CG2-CD2 4.44Å; V292-F312 HydrophobicContact CG2-CE2 3.86Å
293	A	92.8	Very high	77.1	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	147.9	177.9	0	0	0	0	0	110.7	I157 Q158 L161 C304 L305	I157-A293 HydrophobicContact CG2-CB 3.82Å; Q158-A293 HydrophobicContact CB-CB 4.09Å; L161-A293 HydrophobicContact CB-CB 4.37Å; L161-A293 HydrophobicContact CD1-CB 4.07Å; L161-A293 HydrophobicContact CD2-CB 3.84Å; L161-A293 HydrophobicContact CG-CB 4.32Å; A293-C304 CarbonylContact O-C 3.46Å; A293-C304 VanDerWaalsContact O-CA 3.25Å; A293-C304 WeakPolarHBondContact O-CA 3.27Å; A293-C304 PolarHBondContact O-SG 3.49Å; A293-L305 HydrophobicContact CB-CB 4.39Å; A293-L305 PolarHBondContact N-O 2.91Å; A293-L305 PolarHBondContact O-N 3.25Å
294	S	92.3	Very high	79.9	Confident	21 Å²	21	59.1 Å²	59.1	15%	0.147	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	145.5	173.7	64.9	0	0	0	0	113	Q158 L161 L303	Q158-S294 PolarHBondContact NE2-O 3.21Å; Q158-S294 VanDerWaalsContact NE2-O 3.09Å; L161-S294 VanDerWaalsContact CD2-C 3.49Å; S294-L303 CarbonylContact C-O 3.55Å; S294-L303 WeakPolarHBondContact CA-O 3.27Å
295	E	87.8	Confident	82.8	Confident	76 Å²	76	54.8 Å²	54.8	36%	0.355	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.6	178.9	-166.2	62	-138	0	0	110.7	L161 L162 L303	L161-E295 HydrophobicContact CD2-CB 3.77Å; L161-E295 HydrophobicContact CG-CB 4.43Å; L162-E295 HydrophobicContact CD1-CG 4.17Å; L162-E295 HydrophobicContact CD2-CB 4.32Å; L162-E295 HydrophobicContact CD2-CG 3.7Å; L162-E295 HydrophobicContact CG-CG 3.87Å; E295-L303 PolarHBondContact N-O 2.77Å; E295-L303 PolarHBondContact O-N 3.38Å
296	K	86.3	Confident	85.3	Confident	75 Å²	75	49.6 Å²	49.6	33%	0.326	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	107.7	169.8	-179.8	176.1	-179.7	164.4	0	108.6	S298 N299 Y302	K296-S298 WeakPolarHBondContact CE-O 3.48Å; K296-S298 WeakPolarHBondContact CG-O 3.28Å; K296-N299 WeakPolarHBondContact CE-O 3.46Å; K296-N299 PolarHBondContact NZ-O 2.84Å; K296-Y302 HydrophobicContact CB-CD1 4.16Å; K296-Y302 HydrophobicContact CB-CE1 4.09Å; K296-Y302 HydrophobicContact CD-CD1 4.5Å; K296-Y302 HydrophobicContact CD-CE1 3.66Å; K296-Y302 WeakPolarHBondContact CE-OH 3.48Å; K296-Y302 HydrophobicContact CG-CD1 4.06Å; K296-Y302 HydrophobicContact CG-CE1 3.7Å; K296-Y302 PolarHBondContact NZ-OH 3.49Å
297	T	81.2	Confident	87.2	Confident	66 Å²	66	42.2 Å²	42.2	41%	0.405	22%	0.216	S	C	.	.			trans	-83.7	-27.9	-173.5	59.4	0	0	0	0	113.4	L162 T301 L303	L162-T297 HydrophobicContact CD2-CG2 4Å; T297-T301 PolarHBondContact N-O 3.1Å; T297-T301 WeakPolarHBondContact OG1-CB 3.49Å; T297-T301 WeakPolarHBondContact OG1-CG2 3.38Å; T297-T301 PolarHBondContact OG1-O 3.38Å; T297-L303 HydrophobicContact CG2-CB 3.89Å; T297-L303 HydrophobicContact CG2-CD2 4.41Å
298	S	80.4	Confident	88.3	Confident	55 Å²	55	36.6 Å²	36.6	39%	0.385	19%	0.189	S	C	.	.	S	Bend	trans	-147.5	178.1	174.6	86.2	0	0	0	0	110.5	K296 N300 T301	K296-S298 WeakPolarHBondContact CE-O 3.48Å; K296-S298 WeakPolarHBondContact CG-O 3.28Å; S298-N300 PolarHBondContact O-N 3.47Å; S298-N300 PolarHBondContact OG-N 2.81Å; S298-T301 PolarHBondContact N-O 3.36Å; S298-T301 PolarHBondContact O-N 2.91Å; S298-T301 VanDerWaalsContact OG-CB 3.25Å; S298-T301 WeakPolarHBondContact OG-CB 3.05Å; S298-T301 PolarHBondContact OG-N 3.18Å; S298-T301 VanDerWaalsContact OG-N 3.08Å; S298-T301 PolarHBondContact OG-OG1 3.1Å
299	N	72.9	Confident	88.5	Confident	134 Å²	134	35.8 Å²	35.8	72%	0.717	19%	0.187	S	C	*	.	S	Bend	trans	-52	-33.3	177.9	-77.4	-5.4	0	0	0	113.4	K296	K296-N299 WeakPolarHBondContact CE-O 3.46Å; K296-N299 PolarHBondContact NZ-O 2.84Å
300	N	81.1	Confident	88.4	Confident	58 Å²	58	35.3 Å²	35.3	31%	0.31	20%	0.199	S	C	.	.	S	Bend	trans	-124.7	5	-175.1	-72.1	15.9	0	0	0	113.8	S298 H318 G319	S298-N300 PolarHBondContact O-N 3.47Å; S298-N300 PolarHBondContact OG-N 2.81Å; N300-H318 CarbonylContact O-C 3.54Å; N300-H318 WeakPolarHBondContact O-CA 3.46Å; N300-G319 WeakPolarHBondContact CB-O 3.36Å; N300-G319 PolarHBondContact ND2-O 2.83Å; N300-G319 PolarHBondContact O-N 3.32Å
301	T	85.7	Confident	88.4	Confident	21 Å²	21	35.5 Å²	35.5	13%	0.129	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.4	-177.9	-50.8	0	0	0	0	111	T297 S298 F316 L317 H318	T297-T301 PolarHBondContact N-O 3.1Å; T297-T301 WeakPolarHBondContact OG1-CB 3.49Å; T297-T301 WeakPolarHBondContact OG1-CG2 3.38Å; T297-T301 PolarHBondContact OG1-O 3.38Å; S298-T301 PolarHBondContact N-O 3.36Å; S298-T301 PolarHBondContact O-N 2.91Å; S298-T301 VanDerWaalsContact OG-CB 3.25Å; S298-T301 WeakPolarHBondContact OG-CB 3.05Å; S298-T301 PolarHBondContact OG-N 3.18Å; S298-T301 VanDerWaalsContact OG-N 3.08Å; S298-T301 PolarHBondContact OG-OG1 3.1Å; T301-F316 HydrophobicContact CG2-CD2 4.38Å; T301-F316 HydrophobicContact CG2-CE1 4.24Å; T301-F316 HydrophobicContact CG2-CE2 3.42Å; T301-F316 VanDerWaalsContact CG2-CE2 3.42Å; T301-F316 HydrophobicContact CG2-CZ 3.34Å; T301-L317 WeakPolarHBondContact CA-O 3.23Å; T301-H318 PolarHBondContact OG1-ND1 3.22Å
302	Y	89.3	Confident	88.5	Confident	6 Å²	6	34.1 Å²	34.1	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.4	-170.3	-67.4	-86.1	0	0	0	108.6	L188 L194 Y195 K296 L317	L188-Y302 HydrophobicContact CB-CE2 3.75Å; L188-Y302 HydrophobicContact CD1-CD2 4.12Å; L188-Y302 HydrophobicContact CD1-CE2 3.67Å; L188-Y302 HydrophobicContact CG-CE2 4.38Å; L188-Y302 PolarHBondContact O-OH 2.93Å; L188-Y302 VanDerWaalsContact O-OH 3.14Å; L194-Y302 HydrophobicContact CD2-CD1 3.73Å; L194-Y302 HydrophobicContact CD2-CD2 4.02Å; L194-Y302 HydrophobicContact CD2-CE1 4.17Å; L194-Y302 HydrophobicContact CD2-CE2 4.43Å; L194-Y302 HydrophobicContact CD2-CG 3.65Å; Y195-Y302 WeakPolarHBondContact OH-CA 3.21Å; Y195-Y302 VanDerWaalsContact OH-CB 3.26Å; Y195-Y302 WeakPolarHBondContact OH-CB 3.44Å; K296-Y302 HydrophobicContact CB-CD1 4.16Å; K296-Y302 HydrophobicContact CB-CE1 4.09Å; K296-Y302 HydrophobicContact CD-CD1 4.5Å; K296-Y302 HydrophobicContact CD-CE1 3.66Å; K296-Y302 WeakPolarHBondContact CE-OH 3.48Å; K296-Y302 HydrophobicContact CG-CD1 4.06Å; K296-Y302 HydrophobicContact CG-CE1 3.7Å; K296-Y302 PolarHBondContact NZ-OH 3.49Å; Y302-L317 HydrophobicContact CD2-CD2 3.74Å; Y302-L317 HydrophobicContact CG-CD2 4.34Å; Y302-L317 PolarHBondContact N-O 3.2Å; Y302-L317 PolarHBondContact O-N 2.95Å
303	L	90.6	Very high	88.6	Confident	12 Å²	12	33.6 Å²	33.6	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.1	179.3	-175.2	69.7	0	0	0	110.8	F170 Y195 S294 E295 T297 V314 F316	F170-L303 HydrophobicContact CE1-CD1 4.5Å; F170-L303 HydrophobicContact CZ-CD1 4.07Å; F170-L303 HydrophobicContact CZ-CD2 3.98Å; F170-L303 HydrophobicContact CZ-CG 4.3Å; Y195-L303 PolarHBondContact OH-N 2.81Å; Y195-L303 PolarHBondContact OH-O 2.77Å; S294-L303 CarbonylContact C-O 3.55Å; S294-L303 WeakPolarHBondContact CA-O 3.27Å; E295-L303 PolarHBondContact N-O 2.77Å; E295-L303 PolarHBondContact O-N 3.38Å; T297-L303 HydrophobicContact CG2-CB 3.89Å; T297-L303 HydrophobicContact CG2-CD2 4.41Å; L303-V314 HydrophobicContact CD1-CG1 3.52Å; L303-F316 HydrophobicContact CD1-CD2 4.26Å
304	C	92.5	Very high	88.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	140.1	176.1	168.4	0	0	0	0	112	Y195 A293 V314 I315	Y195-C304 HydrophobicContact CD1-CB 3.29Å; Y195-C304 HydrophobicContact CD2-CB 3.99Å; Y195-C304 HydrophobicContact CE1-CB 3.11Å; Y195-C304 HydrophobicContact CE2-CB 3.87Å; Y195-C304 HydrophobicContact CG-CB 3.71Å; A293-C304 CarbonylContact O-C 3.46Å; A293-C304 VanDerWaalsContact O-CA 3.25Å; A293-C304 WeakPolarHBondContact O-CA 3.27Å; A293-C304 PolarHBondContact O-SG 3.49Å; C304-V314 CarbonylContact O-C 3.59Å; C304-V314 WeakPolarHBondContact O-CA 3.38Å; C304-I315 HydrophobicContact CB-CB 4.17Å; C304-I315 PolarHBondContact N-O 2.98Å; C304-I315 PolarHBondContact O-N 2.95Å
305	L	94.2	Very high	88.8	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.4	161.7	-80.1	169.9	0	0	0	108.8	I157 L161 F170 L173 V292 A293 F312 V314	I157-L305 HydrophobicContact CG2-CD1 3.5Å; L161-L305 HydrophobicContact CD1-CD1 3.68Å; L161-L305 HydrophobicContact CD1-CG 4.09Å; F170-L305 HydrophobicContact CD2-CD1 4.07Å; F170-L305 HydrophobicContact CD2-CD2 4.01Å; F170-L305 HydrophobicContact CD2-CG 4.3Å; F170-L305 HydrophobicContact CE2-CD1 3.71Å; F170-L305 HydrophobicContact CE2-CD2 3.58Å; F170-L305 HydrophobicContact CE2-CG 3.6Å; F170-L305 HydrophobicContact CZ-CD2 4.43Å; F170-L305 HydrophobicContact CZ-CG 4.5Å; L173-L305 HydrophobicContact CD1-CD2 3.44Å; L173-L305 VanDerWaalsContact CD1-CD2 3.44Å; V292-L305 WeakPolarHBondContact CA-O 3.28Å; V292-L305 HydrophobicContact CB-CB 4.13Å; V292-L305 WeakPolarHBondContact CB-O 3.39Å; V292-L305 PolarHBondContact N-O 3.29Å; A293-L305 HydrophobicContact CB-CB 4.39Å; A293-L305 PolarHBondContact N-O 2.91Å; A293-L305 PolarHBondContact O-N 3.25Å; L305-F312 HydrophobicContact CB-CE2 4.19Å; L305-F312 HydrophobicContact CB-CZ 4.38Å; L305-F312 HydrophobicContact CD1-CZ 4.18Å; L305-F312 HydrophobicContact CD2-CE1 4.41Å; L305-F312 HydrophobicContact CD2-CE2 4.17Å; L305-F312 HydrophobicContact CD2-CZ 3.86Å; L305-F312 HydrophobicContact CG-CZ 4.39Å; L305-V314 HydrophobicContact CD2-CG2 3.85Å
306	A	94.1	Very high	89	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159.9	-179.7	0	0	0	0	0	111.6	K290 L308 F312 C313 I315	K290-A306 CarbonylContact O-C 3.58Å; K290-A306 WeakPolarHBondContact O-CA 3.3Å; K290-A306 WeakPolarHBondContact O-CB 3.43Å; A306-L308 HydrophobicContact CB-CD2 4.24Å; A306-L308 HydrophobicContact CB-CG 4.35Å; A306-F312 WeakPolarHBondContact O-CA 3.42Å; A306-F312 WeakPolarHBondContact O-CD2 3.17Å; A306-C313 PolarHBondContact N-O 2.91Å; A306-C313 PolarHBondContact O-N 2.91Å; A306-I315 HydrophobicContact CB-CD1 3.76Å; A306-I315 HydrophobicContact CB-CG1 4.27Å
307	V	93.4	Very high	89.1	Confident	5 Å²	5	29.3 Å²	29.3	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.7	160.7	-175.4	0	0	0	0	106.3	E288 W289 K290 V292 G310 I311 F312	E288-V307 HydrophobicContact CB-CG1 4.16Å; E288-V307 HydrophobicContact CG-CG1 4.2Å; W289-V307 WeakPolarHBondContact CA-O 3.19Å; K290-V307 HydrophobicContact CB-CB 4.31Å; K290-V307 PolarHBondContact N-O 2.85Å; K290-V307 PolarHBondContact O-N 2.82Å; V292-V307 HydrophobicContact CG2-CG2 4.19Å; V307-G310 VanDerWaalsContact CG1-CA 3.5Å; V307-I311 CarbonylContact C-O 3.59Å; V307-I311 VanDerWaalsContact CA-O 3.28Å; V307-I311 WeakPolarHBondContact CA-O 3.34Å; V307-F312 HydrophobicContact CG2-CD2 4.04Å
308	L	92.9	Very high	89.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.9	175.7	-61.2	-175.5	0	0	0	108.1	L176 I199 V202 L213 W289 A306 G310 I311 C313 I315	L176-L308 HydrophobicContact CD2-CD1 4.02Å; I199-L308 HydrophobicContact CD1-CD2 4.4Å; I199-L308 HydrophobicContact CG1-CD2 3.7Å; V202-L308 HydrophobicContact CG2-CD1 4.45Å; L213-L308 HydrophobicContact CD1-CB 4.36Å; L213-L308 HydrophobicContact CD1-CD1 4.21Å; L213-L308 HydrophobicContact CD2-CB 3.76Å; L213-L308 VanDerWaalsContact CD2-O 3.31Å; L213-L308 WeakPolarHBondContact CD2-O 3.26Å; W289-L308 HydrophobicContact CE3-CB 4.29Å; W289-L308 HydrophobicContact CE3-CD2 3.87Å; W289-L308 HydrophobicContact CZ3-CB 3.92Å; W289-L308 HydrophobicContact CZ3-CD2 3.96Å; A306-L308 HydrophobicContact CB-CD2 4.24Å; A306-L308 HydrophobicContact CB-CG 4.35Å; L308-G310 PolarHBondContact O-N 3.04Å; L308-I311 PolarHBondContact N-O 3.03Å; L308-I311 WeakPolarHBondContact O-CA 3.31Å; L308-I311 VanDerWaalsContact O-CB 3.31Å; L308-I311 WeakPolarHBondContact O-CB 3.43Å; L308-I311 PolarHBondContact O-N 3.26Å; L308-C313 VanDerWaalsContact CD1-SG 3.55Å; L308-C313 VanDerWaalsContact CG-SG 3.54Å; L308-I315 HydrophobicContact CD1-CD1 4.21Å; L308-I315 HydrophobicContact CD1-CG1 4.25Å; L308-I315 HydrophobicContact CD2-CD1 4.3Å
309	D	88.9	Confident	89.7	Confident	52 Å²	52	26.2 Å²	26.2	28%	0.278	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.1	-175.2	-154.1	28.6	0	0	0	114.7	L213 H287 E288 W289 I311	L213-D309 HydrophobicContact CD2-CB 4.29Å; H287-D309 WeakPolarHBondContact CA-OD1 3.31Å; H287-D309 WeakPolarHBondContact CB-OD1 3.42Å; H287-D309 IonicContact CE1-OD1 2.7Å; H287-D309 IonicContact CG-OD1 3.78Å; H287-D309 IonicContact ND1-OD1 2.87Å; H287-D309 PolarHBondContact ND1-OD1 2.96Å; H287-D309 IonicContact ND1-OD2 3.81Å; E288-D309 PolarHBondContact O-N 3.34Å; W289-D309 HydrophobicContact CH2-CB 3.73Å; W289-D309 HydrophobicContact CZ2-CB 3.68Å; W289-D309 HydrophobicContact CZ3-CB 4.46Å; D309-I311 PolarHBondContact O-N 2.85Å
310	G	86.6	Confident	90.1	Very high	42 Å²	42	25.3 Å²	25.3	43%	0.433	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-7.7	-174.9	0	0	0	0	0	115.5	E288 V307 L308	E288-G310 PolarHBondContact O-N 2.64Å; V307-G310 VanDerWaalsContact CG1-CA 3.5Å; L308-G310 PolarHBondContact O-N 3.04Å
311	I	90	Very high	89.7	Confident	62 Å²	62	28 Å²	28	32%	0.318	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.1	176.1	-53.5	-169.9	0	0	0	110	P174 L213 V307 L308 D309 C313	P174-I311 HydrophobicContact CG-CG2 4.24Å; L213-I311 HydrophobicContact CD2-CB 4.2Å; L213-I311 HydrophobicContact CD2-CD1 3.87Å; L213-I311 HydrophobicContact CD2-CG1 4.2Å; V307-I311 CarbonylContact C-O 3.59Å; V307-I311 VanDerWaalsContact CA-O 3.28Å; V307-I311 WeakPolarHBondContact CA-O 3.34Å; L308-I311 PolarHBondContact N-O 3.03Å; L308-I311 WeakPolarHBondContact O-CA 3.31Å; L308-I311 VanDerWaalsContact O-CB 3.31Å; L308-I311 WeakPolarHBondContact O-CB 3.43Å; L308-I311 PolarHBondContact O-N 3.26Å; D309-I311 PolarHBondContact O-N 2.85Å; I311-C313 PolarHBondContact O-N 2.85Å
312	F	93.4	Very high	88.3	Confident	21 Å²	21	29.2 Å²	29.2	9%	0.092	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	114.6	174.1	-171.5	-130.4	0	0	0	110.4	I135 R138 L173 V292 L305 A306 V307	I135-F312 HydrophobicContact CG1-CE1 4.42Å; I135-F312 HydrophobicContact CG2-CE1 4.05Å; R138-F312 VanDerWaalsContact CD-CZ 3.45Å; L173-F312 HydrophobicContact CD1-CD1 4.18Å; L173-F312 HydrophobicContact CD1-CE1 3.91Å; L173-F312 HydrophobicContact CD2-CD1 3.76Å; L173-F312 HydrophobicContact CD2-CE1 4.22Å; V292-F312 HydrophobicContact CB-CE2 4.22Å; V292-F312 HydrophobicContact CG1-CE2 4.29Å; V292-F312 HydrophobicContact CG2-CD2 4.44Å; V292-F312 HydrophobicContact CG2-CE2 3.86Å; L305-F312 HydrophobicContact CB-CE2 4.19Å; L305-F312 HydrophobicContact CB-CZ 4.38Å; L305-F312 HydrophobicContact CD1-CZ 4.18Å; L305-F312 HydrophobicContact CD2-CE1 4.41Å; L305-F312 HydrophobicContact CD2-CE2 4.17Å; L305-F312 HydrophobicContact CD2-CZ 3.86Å; L305-F312 HydrophobicContact CG-CZ 4.39Å; A306-F312 WeakPolarHBondContact O-CA 3.42Å; A306-F312 WeakPolarHBondContact O-CD2 3.17Å; V307-F312 HydrophobicContact CG2-CD2 4.04Å
313	C	94.7	Very high	86.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	168.7	-168.9	66.5	0	0	0	0	113.1	P174 M217 A306 L308 I311	P174-C313 HydrophobicContact CB-CB 4.07Å; P174-C313 CarbonylContact O-C 3.55Å; P174-C313 WeakPolarHBondContact O-CA 3.46Å; P174-C313 VanDerWaalsContact O-CB 3.25Å; P174-C313 WeakPolarHBondContact O-CB 3.36Å; M217-C313 HydrophobicContact CE-CB 3.77Å; A306-C313 PolarHBondContact N-O 2.91Å; A306-C313 PolarHBondContact O-N 2.91Å; L308-C313 VanDerWaalsContact CD1-SG 3.55Å; L308-C313 VanDerWaalsContact CG-SG 3.54Å; I311-C313 PolarHBondContact O-N 2.85Å
314	V	94.9	Very high	83.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128	174.2	-179.4	0	0	0	0	109.5	F170 L173 P174 R175 L176 L303 C304 L305	F170-V314 HydrophobicContact CD1-CG2 4.5Å; F170-V314 HydrophobicContact CE1-CG1 4.4Å; F170-V314 HydrophobicContact CE1-CG2 3.92Å; F170-V314 HydrophobicContact CE2-CG2 4.01Å; F170-V314 HydrophobicContact CZ-CG1 4.05Å; F170-V314 HydrophobicContact CZ-CG2 3.64Å; L173-V314 HydrophobicContact CB-CG2 3.93Å; L173-V314 HydrophobicContact CD1-CG2 4.1Å; P174-V314 PolarHBondContact O-N 2.81Å; R175-V314 CarbonylContact C-O 3.51Å; R175-V314 VanDerWaalsContact CA-O 3.29Å; R175-V314 WeakPolarHBondContact CA-O 3.14Å; R175-V314 HydrophobicContact CG-CB 4.28Å; L176-V314 PolarHBondContact N-O 3.36Å; L303-V314 HydrophobicContact CD1-CG1 3.52Å; C304-V314 CarbonylContact O-C 3.59Å; C304-V314 WeakPolarHBondContact O-CA 3.38Å; L305-V314 HydrophobicContact CD2-CG2 3.85Å
315	I	93.6	Very high	80.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118	166.1	-56	173.9	0	0	0	107.3	L176 L178 Y195 V198 C304 A306 L308	L176-I315 HydrophobicContact CB-CG1 4.5Å; L176-I315 HydrophobicContact CD2-CG1 4.4Å; L178-I315 HydrophobicContact CD1-CG2 4.12Å; Y195-I315 HydrophobicContact CD1-CB 4.42Å; Y195-I315 HydrophobicContact CD1-CG2 4.11Å; Y195-I315 HydrophobicContact CE1-CG2 4.3Å; V198-I315 HydrophobicContact CG1-CD1 4.1Å; V198-I315 HydrophobicContact CG1-CG2 3.97Å; C304-I315 HydrophobicContact CB-CB 4.17Å; C304-I315 PolarHBondContact N-O 2.98Å; C304-I315 PolarHBondContact O-N 2.95Å; A306-I315 HydrophobicContact CB-CD1 3.76Å; A306-I315 HydrophobicContact CB-CG1 4.27Å; L308-I315 HydrophobicContact CD1-CD1 4.21Å; L308-I315 HydrophobicContact CD1-CG1 4.25Å; L308-I315 HydrophobicContact CD2-CD1 4.3Å
316	F	91.3	Very high	77.7	Confident	81 Å²	81	52.6 Å²	52.6	36%	0.355	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.6	175	-176.2	-92.1	0	0	0	109.3	L176 K177 L178 T301 L303 H318	L176-F316 PolarHBondContact O-N 3.17Å; K177-F316 WeakPolarHBondContact CA-O 3.37Å; L178-F316 PolarHBondContact N-O 2.89Å; T301-F316 HydrophobicContact CG2-CD2 4.38Å; T301-F316 HydrophobicContact CG2-CE1 4.24Å; T301-F316 HydrophobicContact CG2-CE2 3.42Å; T301-F316 VanDerWaalsContact CG2-CE2 3.42Å; T301-F316 HydrophobicContact CG2-CZ 3.34Å; L303-F316 HydrophobicContact CD1-CD2 4.26Å; F316-H318 HydrophobicContact CE1-CB 4.45Å
317	L	90.1	Very high	74.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.4	-175.3	-174.7	161.6	0	0	0	111.1	L178 V180 L188 L194 V198 T301 Y302	L178-L317 HydrophobicContact CB-CB 4.29Å; L178-L317 HydrophobicContact CB-CD1 4.46Å; L178-L317 HydrophobicContact CB-CG 4.12Å; L178-L317 HydrophobicContact CD1-CD1 4.16Å; L178-L317 WeakPolarHBondContact O-CA 3.37Å; V180-L317 HydrophobicContact CB-CD2 4.29Å; V180-L317 HydrophobicContact CG2-CD1 3.8Å; V180-L317 HydrophobicContact CG2-CD2 3.77Å; V180-L317 HydrophobicContact CG2-CG 3.67Å; L188-L317 HydrophobicContact CD1-CD2 3.52Å; L194-L317 HydrophobicContact CD1-CD1 3.75Å; L194-L317 HydrophobicContact CD2-CD1 3.82Å; L194-L317 HydrophobicContact CD2-CD2 4.01Å; L194-L317 HydrophobicContact CD2-CG 4.47Å; L194-L317 HydrophobicContact CG-CD1 3.8Å; V198-L317 HydrophobicContact CG2-CD1 3.83Å; T301-L317 WeakPolarHBondContact CA-O 3.23Å; Y302-L317 HydrophobicContact CD2-CD2 3.74Å; Y302-L317 HydrophobicContact CG-CD2 4.34Å; Y302-L317 PolarHBondContact N-O 3.2Å; Y302-L317 PolarHBondContact O-N 2.95Å
318	H	88.7	Confident	71.9	Confident	56 Å²	56	65.1 Å²	65.1	26%	0.259	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.9	178	-174.1	68.2	0	0	0	111.8	L178 E179 V180 N300 T301 F316	L178-H318 PolarHBondContact O-N 3.06Å; E179-H318 WeakPolarHBondContact CA-O 3.44Å; V180-H318 PolarHBondContact N-O 2.73Å; N300-H318 CarbonylContact O-C 3.54Å; N300-H318 WeakPolarHBondContact O-CA 3.46Å; T301-H318 PolarHBondContact OG1-ND1 3.22Å; F316-H318 HydrophobicContact CE1-CB 4.45Å
319	G	84.3	Confident	69	Low	1 Å²	1	70.6 Å²	70.6	1%	0.01	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.4	177.8	0	0	0	0	0	113.2	V180 N300	V180-G319 CarbonylContact O-C 3.55Å; V180-G319 WeakPolarHBondContact O-CA 3.38Å; N300-G319 WeakPolarHBondContact CB-O 3.36Å; N300-G319 PolarHBondContact ND2-O 2.83Å; N300-G319 PolarHBondContact O-N 3.32Å
320	R	81.7	Confident	66.2	Low	114 Å²	114	74.1 Å²	74.1	43%	0.43	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.4	174.2	-69.7	-168.2	169.8	134.1	13.4	110.8	E179 V180 M181 L182	E179-R320 IonicContact OE1-CZ 2.8Å; E179-R320 IonicContact OE1-NH1 3.34Å; E179-R320 PolarHBondContact OE1-NH1 2.86Å; E179-R320 IonicContact OE1-NH2 2.75Å; E179-R320 PolarHBondContact OE1-NH2 2.85Å; E179-R320 IonicContact OE2-CZ 2.65Å; E179-R320 IonicContact OE2-NH1 3.95Å; E179-R320 PolarHBondContact OE2-NH1 2.88Å; E179-R320 IonicContact OE2-NH2 3.94Å; V180-R320 PolarHBondContact O-N 3.19Å; M181-R320 CarbonylContact C-O 3.43Å; M181-R320 WeakPolarHBondContact CA-O 3.5Å; L182-R320 PolarHBondContact N-O 2.88Å
321	N	72.1	Confident	63.7	Low	114 Å²	114	78.1 Å²	78.1	61%	0.61	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	146.9	169	-64.2	-8.2	0	0	0	109.2
322	S	56.2	Low	60.7	Low	47 Å²	47	84.9 Å²	84.9	33%	0.329	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-54.6	137	175.4	89.6	0	0	0	0	110.7	L182 D184 Q324	L182-S322 PolarHBondContact O-N 2.76Å; D184-S322 PolarHBondContact OD1-OG 2.83Å; S322-Q324 PolarHBondContact O-N 2.83Å
323	P	43.9	Very low	57.6	Low	111 Å²	111	91.7 Å²	91.7	72%	0.721	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-68.5	122.4	172.1	24.5	-28.6	0	0	0	109.3	S325	P323-S325 PolarHBondContact O-N 3.29Å; P323-S325 VanDerWaalsContact O-N 3.07Å
324	Q	38.3	Very low	54.8	Low	186 Å²	186	96.9 Å²	96.9	87%	0.869	56%	0.556	S	S	*	*			trans	-54.9	115.9	170.5	-75.2	-175.3	-19.2	0	0	109.6	S322 S326	S322-Q324 PolarHBondContact O-N 2.83Å; Q324-S326 PolarHBondContact O-N 3.01Å
325	S	34.2	Very low	51.7	Low	114 Å²	114	106.5 Å²	106.5	80%	0.797	60%	0.597	S	S	*	*			trans	-55.3	138.1	168.9	55.5	0	0	0	0	110.3	P323	P323-S325 PolarHBondContact O-N 3.29Å; P323-S325 VanDerWaalsContact O-N 3.07Å
326	S	28	Very low	49.2	Very low	98 Å²	98	111.9 Å²	111.9	69%	0.685	64%	0.635	S	S	*	*			trans	-50.9	149.3	-176.8	-46.3	0	0	0	0	114	Q324 T328	Q324-S326 PolarHBondContact O-N 3.01Å; S326-T328 PolarHBondContact O-N 3.23Å
327	P	32.9	Very low	46.3	Very low	130 Å²	130	115.5 Å²	115.5	84%	0.844	66%	0.657	S	S	*	*			trans	-73.3	114.9	-171.9	30	-32.6	0	0	0	110.6
328	T	34.4	Very low	43.4	Very low	138 Å²	138	120 Å²	120	85%	0.847	69%	0.689	S	S	*	*			trans	-115.6	68.2	170.1	19	0	0	0	0	110.2	S326	S326-T328 PolarHBondContact O-N 3.23Å
329	S	31.4	Very low	41.1	Very low	116 Å²	116	127.2 Å²	127.2	81%	0.811	72%	0.72	S	S	*	*	S	Bend	trans	177.8	139.1	141.5	29.6	0	0	0	0	113.1
330	T	30.6	Very low	38.5	Very low	126 Å²	126	135.3 Å²	135.3	77%	0.773	76%	0.757	S	S	*	*			trans	-64.9	139.2	-175.4	-43.8	0	0	0	0	113	K332	T330-K332 PolarHBondContact O-N 3.48Å
331	P	32.6	Very low	36.5	Very low	125 Å²	125	138.6 Å²	138.6	81%	0.812	78%	0.78	S	S	*	*			trans	-72.6	128.7	177.5	28.9	-31.8	0	0	0	110.4
332	K	27.9	Very low	34.6	Very low	204 Å²	204	141 Å²	141	89%	0.887	79%	0.787	S	S	*	*			trans	-106.4	137.6	165.1	-79.3	-171.6	179.7	176.8	0	110.6	T330	T330-K332 PolarHBondContact O-N 3.48Å
333	L	27.6	Very low	33.7	Very low	165 Å²	165	147 Å²	147	86%	0.864	81%	0.81	S	S	*	*			trans	-46.3	143.7	-174	-119.9	79.2	0	0	0	114.8	K335	L333-K335 PolarHBondContact O-N 2.66Å
334	S	37	Very low	33.4	Very low	109 Å²	109	149.8 Å²	149.8	76%	0.762	82%	0.819	S	S	*	*			trans	-47.6	128.4	162.9	44.7	0	0	0	0	112.4
335	K	28.8	Very low	33.7	Very low	201 Å²	201	149.2 Å²	149.2	87%	0.874	82%	0.816	S	S	*	*			trans	-124.8	113.4	153.1	-91.8	-175.1	174.5	-178.8	0	108.4	L333	L333-K335 PolarHBondContact O-N 2.66Å
336	S	40.9	Very low	34.6	Very low	113 Å²	113	149.4 Å²	149.4	79%	0.79	81%	0.808	S	S	*	*			trans	-57.4	136.6	160.3	58.7	0	0	0	0	109.9
337	L	31.1	Very low	36.6	Very low	157 Å²	157	149.3 Å²	149.3	82%	0.822	80%	0.799	S	S	*	*			trans	-164.9	101.5	152.6	-95	162.4	0	0	0	103.4
338	S	29.5	Very low	39	Very low	96 Å²	96	148.3 Å²	148.3	67%	0.671	78%	0.783	S	S	*	*				91.5	119.1	89.3	61.7	0	0	0	0	111	E340	S338-E340 PolarHBondContact O-N 2.87Å
339	F	40.1	Very low	41.6	Very low	206 Å²	206	144.9 Å²	144.9	90%	0.904	76%	0.756	S	S	*	*			trans	-33.6	115.2	165.6	-111.7	-106.5	0	0	0	112.2
340	E	28.6	Very low	44.5	Very low	171 Å²	171	143.2 Å²	143.2	80%	0.799	74%	0.742	S	S	*	*			trans	-128.8	123.2	147	-82.5	-171.4	165.2	0	0	108	S338 Q342	S338-E340 PolarHBondContact O-N 2.87Å; E340-Q342 PolarHBondContact O-N 2.74Å
341	M	39.7	Very low	47.6	Very low	183 Å²	183	137.9 Å²	137.9	90%	0.901	71%	0.709	S	S	*	*			trans	-76.4	112.4	178.3	-168.7	171.2	73.5	0	0	107.5
342	Q	32.3	Very low	50.6	Low	164 Å²	164	133.4 Å²	133.4	77%	0.766	68%	0.68	S	S	*	*			trans	-137.9	115.5	171.1	-92.5	-177.4	-14	0	0	110.7	E340	E340-Q342 PolarHBondContact O-N 2.74Å
343	Q	37.5	Very low	53.9	Low	174 Å²	174	126.8 Å²	126.8	81%	0.813	66%	0.659	S	S	*	*			trans	50.9	122.3	152.4	-99.5	156.7	-29.2	0	0	119.2	E345	Q343-E345 PolarHBondContact O-N 3.16Å
344	D	38.3	Very low	57.3	Low	169 Å²	169	119 Å²	119	90%	0.904	62%	0.618	S	S	*	*			trans	-40.2	96.7	168.8	-64.3	-44.1	0	0	0	111.8	L346	D344-L346 PolarHBondContact O-N 3.1Å; D344-L346 VanDerWaalsContact O-N 3.11Å
345	E	44.6	Very low	60	Low	174 Å²	174	119.9 Å²	119.9	81%	0.813	61%	0.61	S	S	*	*			trans	-69	107.7	170.2	-82.9	-173.1	159.5	0	0	107.5	Q343 I347	Q343-E345 PolarHBondContact O-N 3.16Å; E345-I347 PolarHBondContact O-N 2.82Å
346	L	53.3	Low	62.7	Low	118 Å²	118	113.8 Å²	113.8	62%	0.618	58%	0.582	S	S	*	*			trans	-59.3	97.9	167.6	-76.2	161.6	0	0	0	108.5	D344 E348 K638	D344-L346 PolarHBondContact O-N 3.1Å; D344-L346 VanDerWaalsContact O-N 3.11Å; L346-E348 PolarHBondContact O-N 3.11Å; L346-K638 HydrophobicContact CD2-CD 4.29Å
347	I	70.2	Confident	65.3	Low	97 Å²	97	109.5 Å²	109.5	50%	0.497	55%	0.553	S	S	.	*			trans	-73.5	108.9	172.1	-64.1	175	0	0	0	107.6	E345 I639	E345-I347 PolarHBondContact O-N 2.82Å; I347-I639 PolarHBondContact O-N 3.25Å
348	E	81.8	Confident	68.5	Low	109 Å²	109	102 Å²	102	51%	0.509	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.5	166.7	-74	-171.9	169	0	0	109.6	L346 Y636 T637 K638	L346-E348 PolarHBondContact O-N 3.11Å; E348-Y636 HydrophobicContact CB-CD1 4.35Å; E348-T637 WeakPolarHBondContact CA-O 3.4Å; E348-K638 HydrophobicContact CG-CG 4.19Å
349	K	89.9	Confident	71.8	Confident	66 Å²	66	97.4 Å²	97.4	29%	0.287	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.7	171.9	68.3	167.3	175.5	124.7	0	110.8	M351 D393 Y636 T637 I639	K349-M351 PolarHBondContact O-N 2.97Å; K349-D393 VanDerWaalsContact CE-OD2 3.23Å; K349-D393 WeakPolarHBondContact CE-OD2 2.79Å; K349-D393 IonicContact NZ-OD2 3.51Å; K349-D393 PolarHBondContact NZ-OD2 3.02Å; K349-Y636 VanDerWaalsContact C-CD1 3.42Å; K349-Y636 CarbonylContact O-C 3.54Å; K349-Y636 VanDerWaalsContact O-CA 3.26Å; K349-Y636 WeakPolarHBondContact O-CA 3.46Å; K349-T637 HydrophobicContact CG-CG2 4.24Å; K349-T637 PolarHBondContact N-O 3.28Å; K349-T637 PolarHBondContact O-N 3.05Å; K349-I639 HydrophobicContact CD-CD1 4.1Å; K349-I639 HydrophobicContact CD-CG1 4Å; K349-I639 HydrophobicContact CG-CG1 4.01Å
350	P	92.4	Very high	74.4	Confident	80 Å²	80	88 Å²	88	52%	0.519	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	135.7	168.2	-22.9	33.6	0	0	0	110	P635 Y636	P350-P635 CarbonylContact C-O 3.56Å; P350-P635 WeakPolarHBondContact CA-O 3.28Å; P350-Y636 HydrophobicContact CG-CD1 4.15Å; P350-Y636 HydrophobicContact CG-CE1 3.68Å
351	M	95.3	Very high	77.8	Confident	14 Å²	14	80.4 Å²	80.4	7%	0.069	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-58.4	143.5	174	-74.5	-175.9	163.5	0	0	110.1	K349 D393 Y609 V623 V625 P635 T637	K349-M351 PolarHBondContact O-N 2.97Å; M351-D393 WeakPolarHBondContact CA-OD1 3.5Å; M351-Y609 HydrophobicContact CE-CE1 4.15Å; M351-Y609 HydrophobicContact SD-CE1 4.31Å; M351-V623 HydrophobicContact CB-CG1 3.61Å; M351-V623 HydrophobicContact CG-CG1 4.48Å; M351-V623 HydrophobicContact SD-CG1 4.14Å; M351-V625 HydrophobicContact CE-CB 4.26Å; M351-V625 HydrophobicContact CE-CG1 3.54Å; M351-V625 HydrophobicContact CE-CG2 3.69Å; M351-V625 HydrophobicContact SD-CG1 3.94Å; M351-V625 HydrophobicContact SD-CG2 4.33Å; M351-P635 PolarHBondContact N-O 3.35Å; M351-T637 HydrophobicContact CG-CG2 3.9Å
352	S	96.4	Very high	80.6	Confident	31 Å²	31	71.8 Å²	71.8	22%	0.217	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-64.8	127.3	-179.3	-58.9	0	0	0	0	109	D393 W395	S352-D393 WeakPolarHBondContact CB-O 3.24Å; S352-D393 PolarHBondContact N-OD1 3.27Å; S352-D393 PolarHBondContact N-OD2 3.39Å; S352-D393 PolarHBondContact OG-O 3.25Å; S352-D393 PolarHBondContact OG-OD2 3.25Å; S352-W395 VanDerWaalsContact O-CD1 3.28Å; S352-W395 PolarHBondContact O-NE1 3.01Å
353	P	96.8	Very high	83.7	Confident	66 Å²	66	65 Å²	65	43%	0.429	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-76	162.3	177.3	32.3	-35.3	0	0	0	110.9	N621	P353-N621 CarbonylContact C-O 3.53Å; P353-N621 WeakPolarHBondContact CA-O 3.46Å; P353-N621 HydrophobicContact CB-CB 4.48Å; P353-N621 WeakPolarHBondContact CB-O 3.39Å
354	M	98.2	Very high	86.6	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-60	152.1	166.6	-66.8	-179.3	-58.6	0	0	110.5	Y356 R358 A372 E386 W395 V611 N621	M354-Y356 VanDerWaalsContact C-N 3.29Å; M354-Y356 WeakPolarHBondContact CB-O 3.19Å; M354-R358 HydrophobicContact CE-CB 3.94Å; M354-R358 HydrophobicContact CE-CG 3.99Å; M354-R358 VanDerWaalsContact SD-CD 3.58Å; M354-R358 HydrophobicContact SD-CG 4.29Å; M354-A372 HydrophobicContact SD-CB 3.65Å; M354-E386 WeakPolarHBondContact CA-OE2 3.32Å; M354-E386 WeakPolarHBondContact CB-OE2 3.34Å; M354-W395 HydrophobicContact CG-CD2 3.87Å; M354-W395 HydrophobicContact CG-CE3 3.95Å; M354-W395 HydrophobicContact CG-CH2 3.4Å; M354-W395 HydrophobicContact CG-CZ2 3.32Å; M354-W395 HydrophobicContact CG-CZ3 3.71Å; M354-W395 HydrophobicContact SD-CH2 3.8Å; M354-W395 HydrophobicContact SD-CZ2 4.24Å; M354-W395 HydrophobicContact SD-CZ3 4.13Å; M354-V611 HydrophobicContact CE-CG2 3.51Å; M354-V611 HydrophobicContact CG-CG2 4.06Å; M354-V611 HydrophobicContact SD-CG2 3.54Å; M354-V611 VanDerWaalsContact SD-CG2 3.54Å; M354-N621 HydrophobicContact CB-CB 4.18Å; M354-N621 PolarHBondContact N-O 3.41Å; M354-N621 WeakPolarHBondContact O-CB 3.33Å; M354-N621 PolarHBondContact O-ND2 2.68Å
355	Q	93.7	Very high	89.4	Confident	127 Å²	127	52.4 Å²	52.4	59%	0.593	27%	0.273	S	S	*	.	S	Bend	trans	-64.4	-38.7	171.7	-178.2	168.1	-1.5	0	0	111.1	E386 F397	Q355-E386 PolarHBondContact N-OE2 3.1Å; Q355-F397 HydrophobicContact CB-CZ 4.21Å
356	Y	87.1	Confident	91.9	Very high	72 Å²	72	45 Å²	45	28%	0.282	24%	0.238	S	C	.	.	S	Bend	trans	-107	138.3	178.5	-63.9	-86.5	0	0	0	111.4	M354 L382 T384 E386 F397	M354-Y356 VanDerWaalsContact C-N 3.29Å; M354-Y356 WeakPolarHBondContact CB-O 3.19Å; Y356-L382 HydrophobicContact CD1-CD2 4.04Å; Y356-L382 HydrophobicContact CG-CD1 4.48Å; Y356-L382 HydrophobicContact CG-CD2 4.42Å; Y356-T384 HydrophobicContact CE2-CG2 4.43Å; Y356-E386 PolarHBondContact N-OE1 3.26Å; Y356-F397 HydrophobicContact CD2-CE1 4.31Å; Y356-F397 HydrophobicContact CD2-CZ 4.29Å; Y356-F397 HydrophobicContact CE2-CE1 4.08Å; Y356-F397 AromaticContact CE2-CZ 3.86Å; Y356-F397 HydrophobicContact CE2-CZ 3.86Å
357	A	95.3	Very high	93.8	Very high	23 Å²	23	45.4 Å²	45.4	19%	0.19	24%	0.241	C	C	.	.			trans	-68.4	134.9	163.4	0	0	0	0	0	109.8	N377 F619 L620 N621	A357-N377 HydrophobicContact CB-CB 4.42Å; A357-N377 WeakPolarHBondContact O-CB 3.25Å; A357-N377 PolarHBondContact O-ND2 3.09Å; A357-F619 HydrophobicContact CB-CB 3.81Å; A357-F619 WeakPolarHBondContact CB-O 3.37Å; A357-L620 WeakPolarHBondContact CA-O 3.4Å; A357-N621 HydrophobicContact CB-CB 4.23Å
358	R	98.2	Very high	95	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.			trans	-137.8	124.9	-173.5	-60.4	178	-174.7	-91.1	-1.6	110.6	M354 L361 G374 L382 T384 E386 G612 G613 L620	M354-R358 HydrophobicContact CE-CB 3.94Å; M354-R358 HydrophobicContact CE-CG 3.99Å; M354-R358 VanDerWaalsContact SD-CD 3.58Å; M354-R358 HydrophobicContact SD-CG 4.29Å; R358-L361 HydrophobicContact CB-CB 4.17Å; R358-L361 HydrophobicContact CB-CD1 3.91Å; R358-L361 HydrophobicContact CB-CD2 4.35Å; R358-L361 HydrophobicContact CB-CG 4.37Å; R358-G374 WeakPolarHBondContact CD-O 3.19Å; R358-G374 PolarHBondContact NH1-O 3.38Å; R358-L382 HydrophobicContact CG-CD1 3.84Å; R358-T384 PolarHBondContact NH1-O 3.45Å; R358-T384 PolarHBondContact NH1-OG1 3.47Å; R358-T384 PolarHBondContact NH2-OG1 2.82Å; R358-E386 IonicContact CZ-OE1 2.64Å; R358-E386 VanDerWaalsContact CZ-OE1 3.25Å; R358-E386 IonicContact NE-OE1 2.9Å; R358-E386 PolarHBondContact NE-OE1 3.46Å; R358-E386 IonicContact NH2-OE1 3.61Å; R358-E386 PolarHBondContact NH2-OE1 3.17Å; R358-G612 WeakPolarHBondContact O-CA 3.24Å; R358-G613 PolarHBondContact O-N 2.97Å; R358-L620 PolarHBondContact N-O 2.91Å
359	S	97.7	Very high	95.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-125.1	154.7	164	-176	0	0	0	0	110.1	L361 G375 Y376 N598	S359-L361 PolarHBondContact O-N 2.99Å; S359-G375 CarbonylContact O-C 3.6Å; S359-G375 WeakPolarHBondContact O-CA 3.11Å; S359-Y376 PolarHBondContact N-O 2.79Å; S359-Y376 WeakPolarHBondContact O-CD1 3.42Å; S359-Y376 WeakPolarHBondContact O-CE1 3.48Å; S359-Y376 PolarHBondContact O-N 2.87Å; S359-N598 VanDerWaalsContact OG-CB 3.26Å; S359-N598 WeakPolarHBondContact OG-CB 3.34Å; S359-N598 PolarHBondContact OG-O 3.01Å
360	G	96.3	Very high	96.2	Very high	9 Å²	9	36.9 Å²	36.9	9%	0.093	21%	0.207	C	C	.	.	S	Bend	trans	57.5	31.6	-174.8	0	0	0	0	0	113	A406 R407 N598	G360-A406 CarbonylContact O-C 3.57Å; G360-R407 PolarHBondContact O-N 3.33Å; G360-N598 PolarHBondContact N-O 3.18Å
361	L	98.3	Very high	96.5	Very high	11 Å²	11	33.1 Å²	33.1	6%	0.058	18%	0.183	C	C	.	.			trans	-81.9	161	176.5	74	165.4	0	0	0	111.8	R358 S359 T363 A372 A373	R358-L361 HydrophobicContact CB-CB 4.17Å; R358-L361 HydrophobicContact CB-CD1 3.91Å; R358-L361 HydrophobicContact CB-CD2 4.35Å; R358-L361 HydrophobicContact CB-CG 4.37Å; S359-L361 PolarHBondContact O-N 2.99Å; L361-T363 HydrophobicContact CD1-CG2 3.77Å; L361-T363 HydrophobicContact CG-CG2 4.04Å; L361-A372 HydrophobicContact CD1-CB 3.69Å; L361-A373 WeakPolarHBondContact CB-O 3.46Å
362	G	98.2	Very high	96.6	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.5	164.6	0	0	0	0	0	110.8	A373	G362-A373 PolarHBondContact N-O 2.83Å; G362-A373 PolarHBondContact O-N 3.46Å
363	T	98.5	Very high	96.8	Very high	22 Å²	22	31 Å²	31	14%	0.135	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.4	172.6	48.9	0	0	0	0	112.7	L361 I371 M410 G600 I601 V611	L361-T363 HydrophobicContact CD1-CG2 3.77Å; L361-T363 HydrophobicContact CG-CG2 4.04Å; T363-I371 WeakPolarHBondContact CA-O 3.19Å; T363-I371 WeakPolarHBondContact CG2-O 3.44Å; T363-M410 VanDerWaalsContact C-CE 3.46Å; T363-G600 VanDerWaalsContact CG2-CA 3.43Å; T363-G600 VanDerWaalsContact OG1-CA 3.29Å; T363-G600 WeakPolarHBondContact OG1-CA 3.27Å; T363-I601 PolarHBondContact OG1-N 2.94Å; T363-I601 PolarHBondContact OG1-O 2.95Å; T363-V611 HydrophobicContact CG2-CG1 3.82Å
364	A	98.1	Very high	96.8	Very high	8 Å²	8	27.9 Å²	27.9	7%	0.066	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	165.5	173	0	0	0	0	0	110.7	I371 M410 V412 L417	A364-I371 PolarHBondContact N-O 3.49Å; A364-I371 PolarHBondContact O-N 2.99Å; A364-M410 HydrophobicContact CB-CE 3.67Å; A364-M410 HydrophobicContact CB-CG 4.48Å; A364-V412 HydrophobicContact CB-CG2 3.61Å; A364-L417 HydrophobicContact CB-CD2 3.77Å
365	E	97.7	Very high	96.7	Very high	71 Å²	71	27.8 Å²	27.8	33%	0.332	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.5	163.5	-176.4	-79.8	143	0	0	109.5	N367 G368 K369 V412 T603 V604	E365-N367 PolarHBondContact OE1-N 3.4Å; E365-G368 WeakPolarHBondContact OE1-CA 3.36Å; E365-G368 PolarHBondContact OE1-N 3.25Å; E365-K369 WeakPolarHBondContact CA-O 3.47Å; E365-V412 WeakPolarHBondContact O-CG2 3.35Å; E365-T603 VanDerWaalsContact CB-O 3.3Å; E365-T603 WeakPolarHBondContact CB-O 3.3Å; E365-V604 HydrophobicContact CB-CG2 4.09Å; E365-V604 HydrophobicContact CG-CB 4.26Å; E365-V604 HydrophobicContact CG-CG1 4.13Å; E365-V604 HydrophobicContact CG-CG2 4.05Å
366	M	95.7	Very high	96.6	Very high	17 Å²	17	25.2 Å²	25.2	8%	0.084	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	127.1	169	-174.4	172.8	65.2	0	0	109.3	G368 K369 I371 L398 L417 Y436	M366-G368 VanDerWaalsContact C-N 3.27Å; M366-G368 PolarHBondContact O-N 2.86Å; M366-K369 PolarHBondContact N-O 3.32Å; M366-K369 PolarHBondContact O-N 3.31Å; M366-I371 HydrophobicContact CB-CD1 4.49Å; M366-I371 HydrophobicContact CB-CG1 3.97Å; M366-I371 HydrophobicContact CE-CD1 4.15Å; M366-I371 HydrophobicContact CE-CG1 4.17Å; M366-L398 HydrophobicContact CE-CD1 4.07Å; M366-L417 HydrophobicContact CB-CD2 4.48Å; M366-L417 HydrophobicContact CE-CD1 3.8Å; M366-L417 HydrophobicContact CE-CG 4.37Å; M366-L417 HydrophobicContact SD-CD1 3.91Å; M366-L417 HydrophobicContact SD-CD2 4.22Å; M366-L417 HydrophobicContact SD-CG 3.8Å; M366-Y436 HydrophobicContact CE-CD1 3.74Å; M366-Y436 HydrophobicContact CE-CE1 3.42Å; M366-Y436 VanDerWaalsContact CE-CE1 3.42Å; M366-Y436 HydrophobicContact SD-CD1 4.11Å; M366-Y436 HydrophobicContact SD-CE1 4.22Å
367	N	93.7	Very high	96.5	Very high	127 Å²	127	22.8 Å²	22.8	68%	0.679	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	37.7	178.4	-58.2	-35.3	0	0	0	113.9	E365 K369	E365-N367 PolarHBondContact OE1-N 3.4Å; N367-K369 VanDerWaalsContact C-N 3.27Å; N367-K369 PolarHBondContact O-N 3.04Å
368	G	95.8	Very high	95.8	Very high	29 Å²	29	29 Å²	29	30%	0.299	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	12.3	-178.5	0	0	0	0	0	114.4	E365 M366 V604	E365-G368 WeakPolarHBondContact OE1-CA 3.36Å; E365-G368 PolarHBondContact OE1-N 3.25Å; M366-G368 VanDerWaalsContact C-N 3.27Å; M366-G368 PolarHBondContact O-N 2.86Å; G368-V604 VanDerWaalsContact C-CG1 3.46Å; G368-V604 WeakPolarHBondContact O-CG1 3.46Å
369	K	97.9	Very high	94.9	Very high	65 Å²	65	37.4 Å²	37.4	28%	0.283	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.5	-176.9	-56.1	-166.9	-170.5	-151.4	0	111.6	E365 M366 N367 C387 Y388 D389	E365-K369 WeakPolarHBondContact CA-O 3.47Å; M366-K369 PolarHBondContact N-O 3.32Å; M366-K369 PolarHBondContact O-N 3.31Å; N367-K369 VanDerWaalsContact C-N 3.27Å; N367-K369 PolarHBondContact O-N 3.04Å; K369-C387 VanDerWaalsContact CB-SG 3.57Å; K369-C387 WeakPolarHBondContact CD-SG 3.35Å; K369-Y388 WeakPolarHBondContact CA-O 3.43Å; K369-Y388 WeakPolarHBondContact CB-O 3.01Å; K369-D389 HydrophobicContact CD-CB 4.16Å; K369-D389 WeakPolarHBondContact CE-OD2 3.38Å; K369-D389 IonicContact NZ-OD2 2.62Å; K369-D389 PolarHBondContact NZ-OD2 2.95Å
370	L	98.7	Very high	94.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	121.3	175	175	66.2	0	0	0	109.4	C387 Y388 W395 A602 V604 Y609 V611 V623	L370-C387 CarbonylContact O-C 3.58Å; L370-C387 WeakPolarHBondContact O-CA 3.36Å; L370-Y388 PolarHBondContact N-O 2.76Å; L370-Y388 PolarHBondContact O-N 2.91Å; L370-W395 HydrophobicContact CD2-CH2 4.23Å; L370-A602 HydrophobicContact CD1-CB 3.79Å; L370-V604 HydrophobicContact CB-CG2 3.82Å; L370-V604 HydrophobicContact CD1-CG2 4.13Å; L370-Y609 HydrophobicContact CD2-CD1 4.19Å; L370-Y609 HydrophobicContact CD2-CG 4.16Å; L370-V611 HydrophobicContact CD2-CB 4.12Å; L370-V611 HydrophobicContact CD2-CG1 3.91Å; L370-V623 HydrophobicContact CD2-CG2 4.35Å
371	I	98.8	Very high	93.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.3	176.7	-48.9	-52.6	0	0	0	109.6	T363 A364 M366 V385 C387 L398 M410 L417	T363-I371 WeakPolarHBondContact CA-O 3.19Å; T363-I371 WeakPolarHBondContact CG2-O 3.44Å; A364-I371 PolarHBondContact N-O 3.49Å; A364-I371 PolarHBondContact O-N 2.99Å; M366-I371 HydrophobicContact CB-CD1 4.49Å; M366-I371 HydrophobicContact CB-CG1 3.97Å; M366-I371 HydrophobicContact CE-CD1 4.15Å; M366-I371 HydrophobicContact CE-CG1 4.17Å; I371-V385 HydrophobicContact CG2-CG1 3.65Å; I371-C387 HydrophobicContact CD1-CB 3.75Å; I371-C387 VanDerWaalsContact CD1-SG 3.51Å; I371-L398 HydrophobicContact CD1-CD1 3.87Å; I371-L398 HydrophobicContact CG2-CD1 4.32Å; I371-M410 HydrophobicContact CB-CE 4.15Å; I371-M410 HydrophobicContact CG2-CE 4.02Å; I371-L417 HydrophobicContact CB-CD1 4.4Å; I371-L417 HydrophobicContact CG1-CD1 4.24Å; I371-L417 HydrophobicContact CG2-CD1 3.94Å
372	A	98.8	Very high	93.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	100.6	176.5	0	0	0	0	0	109.9	M354 L361 E386 W395	M354-A372 HydrophobicContact SD-CB 3.65Å; L361-A372 HydrophobicContact CD1-CB 3.69Å; A372-E386 PolarHBondContact N-O 3.08Å; A372-E386 PolarHBondContact O-N 3.44Å; A372-W395 HydrophobicContact CB-CH2 4.18Å; A372-W395 HydrophobicContact CB-CZ3 3.95Å
373	A	98.6	Very high	93.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.1	-173.4	0	0	0	0	0	112.3	L361 G362 G375 V385 F408 M410	L361-A373 WeakPolarHBondContact CB-O 3.46Å; G362-A373 PolarHBondContact N-O 2.83Å; G362-A373 PolarHBondContact O-N 3.46Å; A373-G375 PolarHBondContact O-N 2.82Å; A373-V385 HydrophobicContact CB-CG1 4.05Å; A373-V385 HydrophobicContact CB-CG2 3.98Å; A373-F408 HydrophobicContact CB-CZ 4.23Å; A373-F408 VanDerWaalsContact O-CZ 3.28Å; A373-F408 WeakPolarHBondContact O-CZ 3.47Å; A373-M410 HydrophobicContact CB-CE 4.25Å; A373-M410 HydrophobicContact CB-SD 4.05Å
374	G	97.4	Very high	93.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.227	C	C	.	.			trans	59.7	-132.8	173.7	0	0	0	0	0	113.8	R358 L382 T384 M401	R358-G374 WeakPolarHBondContact CD-O 3.19Å; R358-G374 PolarHBondContact NH1-O 3.38Å; G374-L382 VanDerWaalsContact CA-O 3.31Å; G374-L382 WeakPolarHBondContact CA-O 3.2Å; G374-T384 PolarHBondContact N-O 2.95Å; G374-M401 VanDerWaalsContact CA-CE 3.48Å
375	G	96.3	Very high	93.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.224	C	C	.	.			trans	87	-172.8	-170	0	0	0	0	0	111.7	S359 A373 L382 R405	S359-G375 CarbonylContact O-C 3.6Å; S359-G375 WeakPolarHBondContact O-CA 3.11Å; A373-G375 PolarHBondContact O-N 2.82Å; G375-L382 WeakPolarHBondContact O-CB 3.43Å; G375-L382 PolarHBondContact O-N 3.31Å; G375-R405 PolarHBondContact N-O 3.48Å
376	Y	91.3	Very high	93.4	Very high	73 Å²	73	44.1 Å²	44.1	29%	0.286	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-139.1	160.7	179.4	70.4	-72.8	0	0	0	110.8	S359 E380 A406 R407 F619	S359-Y376 PolarHBondContact N-O 2.79Å; S359-Y376 WeakPolarHBondContact O-CD1 3.42Å; S359-Y376 WeakPolarHBondContact O-CE1 3.48Å; S359-Y376 PolarHBondContact O-N 2.87Å; Y376-E380 WeakPolarHBondContact CA-O 3.18Å; Y376-A406 HydrophobicContact CD1-CB 3.75Å; Y376-A406 HydrophobicContact CG-CB 4.23Å; Y376-R407 HydrophobicContact CE1-CG 4.3Å; Y376-F619 AromaticContact CD2-CE1 3.68Å; Y376-F619 HydrophobicContact CD2-CE1 3.68Å; Y376-F619 AromaticContact CD2-CZ 3.94Å; Y376-F619 HydrophobicContact CD2-CZ 3.94Å; Y376-F619 AromaticContact CE2-CE1 3.37Å; Y376-F619 HydrophobicContact CE2-CE1 3.37Å; Y376-F619 AromaticContact CE2-CZ 3.53Å; Y376-F619 HydrophobicContact CE2-CZ 3.53Å; Y376-F619 HydrophobicContact CG-CE1 4.4Å; Y376-F619 AromaticContact CZ-CE1 3.84Å; Y376-F619 WeakPolarHBondContact O-CD1 3.45Å
377	N	86.2	Confident	93.6	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.118	21%	0.206	C	C	.	.			trans	-133.6	-162.2	169.8	60.1	39.1	0	0	0	109.6	A357 E379 E380 F619	A357-N377 HydrophobicContact CB-CB 4.42Å; A357-N377 WeakPolarHBondContact O-CB 3.25Å; A357-N377 PolarHBondContact O-ND2 3.09Å; N377-E379 VanDerWaalsContact C-N 3.27Å; N377-E379 PolarHBondContact O-N 3.49Å; N377-E379 WeakPolarHBondContact OD1-CA 3.31Å; N377-E379 WeakPolarHBondContact OD1-CB 3.39Å; N377-E379 PolarHBondContact OD1-N 3.09Å; N377-E380 PolarHBondContact N-O 3.42Å; N377-E380 PolarHBondContact OD1-N 3.39Å; N377-E380 PolarHBondContact OD1-O 3.05Å; N377-F619 HydrophobicContact CB-CB 4.21Å; N377-F619 HydrophobicContact CB-CD1 4.41Å; N377-F619 HydrophobicContact CB-CG 4.16Å
378	R	79	Confident	93.8	Very high	154 Å²	154	37.5 Å²	37.5	58%	0.581	17%	0.174	S	C	*	.	S	Bend	trans	-69.4	-26.1	179.8	-66.3	-179.4	-174.2	163.4	-2.5	113.3	N617 F619	R378-N617 PolarHBondContact NH2-O 3.29Å; R378-F619 HydrophobicContact CB-CE2 4.5Å; R378-F619 HydrophobicContact CG-CD2 3.58Å; R378-F619 HydrophobicContact CG-CE2 3.53Å
379	E	80.4	Confident	93.9	Very high	175 Å²	175	37.4 Å²	37.4	82%	0.818	17%	0.166	S	C	*	.	S	Bend	trans	-92.2	-46.1	-171.1	-60.9	174.7	-169.1	0	0	110.5	N377	N377-E379 VanDerWaalsContact C-N 3.27Å; N377-E379 PolarHBondContact O-N 3.49Å; N377-E379 WeakPolarHBondContact OD1-CA 3.31Å; N377-E379 WeakPolarHBondContact OD1-CB 3.39Å; N377-E379 PolarHBondContact OD1-N 3.09Å
380	E	82.4	Confident	93.7	Very high	101 Å²	101	35.6 Å²	35.6	47%	0.472	16%	0.161	S	C	.	.			trans	-156.1	167	-170	61.8	178.1	173.5	0	0	114.6	Y376 N377 L382	Y376-E380 WeakPolarHBondContact CA-O 3.18Å; N377-E380 PolarHBondContact N-O 3.42Å; N377-E380 PolarHBondContact OD1-N 3.39Å; N377-E380 PolarHBondContact OD1-O 3.05Å; E380-L382 HydrophobicContact CG-CD2 3.75Å; E380-L382 WeakPolarHBondContact OE1-CD2 3.47Å
381	C	89.2	Confident	93.4	Very high	20 Å²	20	43.1 Å²	43.1	14%	0.135	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-87.5	134.5	162	-169	0	0	0	0	108.5	P404 A406 S423	C381-P404 HydrophobicContact CB-CB 4.01Å; C381-P404 WeakPolarHBondContact O-CB 3.36Å; C381-A406 VanDerWaalsContact SG-CB 3.55Å; C381-S423 PolarHBondContact SG-O 2.86Å; C381-S423 VanDerWaalsContact SG-O 3.4Å
382	L	93.1	Very high	93.1	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.026	22%	0.222	C	C	.	.			trans	-100.2	142.6	-170.1	-59.5	169.2	0	0	0	111.4	Y356 R358 G374 G375 E380 P404 R405	Y356-L382 HydrophobicContact CD1-CD2 4.04Å; Y356-L382 HydrophobicContact CG-CD1 4.48Å; Y356-L382 HydrophobicContact CG-CD2 4.42Å; R358-L382 HydrophobicContact CG-CD1 3.84Å; G374-L382 VanDerWaalsContact CA-O 3.31Å; G374-L382 WeakPolarHBondContact CA-O 3.2Å; G375-L382 WeakPolarHBondContact O-CB 3.43Å; G375-L382 PolarHBondContact O-N 3.31Å; E380-L382 HydrophobicContact CG-CD2 3.75Å; E380-L382 WeakPolarHBondContact OE1-CD2 3.47Å; L382-P404 WeakPolarHBondContact O-CA 3.42Å; L382-R405 PolarHBondContact O-N 3.32Å
383	R	95	Very high	93	Very high	105 Å²	105	47.6 Å²	47.6	40%	0.396	22%	0.223	S	C	.	.			trans	-107	-13.1	168.1	64.2	179.1	-68.5	-137.8	-4.9	113.6	P400 M401 P404	R383-P400 HydrophobicContact CG-CB 4.35Å; R383-P400 WeakPolarHBondContact O-CA 3.5Å; R383-M401 PolarHBondContact NE-O 2.96Å; R383-M401 PolarHBondContact NH2-O 3.27Å; R383-M401 PolarHBondContact O-N 3.4Å; R383-P404 HydrophobicContact CB-CB 4.42Å; R383-P404 HydrophobicContact CB-CG 4.15Å
384	T	96.8	Very high	92.8	Very high	30 Å²	30	53.2 Å²	53.2	18%	0.184	25%	0.249	C	C	.	.			trans	-68.5	149.6	-177.1	51.7	0	0	0	0	110.8	Y356 R358 G374	Y356-T384 HydrophobicContact CE2-CG2 4.43Å; R358-T384 PolarHBondContact NH1-O 3.45Å; R358-T384 PolarHBondContact NH1-OG1 3.47Å; R358-T384 PolarHBondContact NH2-OG1 2.82Å; G374-T384 PolarHBondContact N-O 2.95Å
385	V	98.6	Very high	92.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.1	179.3	-176.4	0	0	0	0	107.9	I371 A373 F397 L398 M401 W443	I371-V385 HydrophobicContact CG2-CG1 3.65Å; A373-V385 HydrophobicContact CB-CG1 4.05Å; A373-V385 HydrophobicContact CB-CG2 3.98Å; V385-F397 WeakPolarHBondContact O-CA 3.04Å; V385-L398 HydrophobicContact CB-CB 4.28Å; V385-L398 HydrophobicContact CG1-CB 4.14Å; V385-L398 HydrophobicContact CG1-CD1 4.19Å; V385-L398 HydrophobicContact CG1-CG 4.49Å; V385-L398 PolarHBondContact O-N 3.18Å; V385-M401 HydrophobicContact CG2-CG 4.13Å; V385-W443 HydrophobicContact CG2-CZ2 3.9Å
386	E	98.6	Very high	92.9	Very high	3 Å²	3	56.9 Å²	56.9	1%	0.014	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.2	179.2	-74.2	178.7	-100.6	0	0	109.9	M354 Q355 Y356 R358 A372 W395 S396 F397	M354-E386 WeakPolarHBondContact CA-OE2 3.32Å; M354-E386 WeakPolarHBondContact CB-OE2 3.34Å; Q355-E386 PolarHBondContact N-OE2 3.1Å; Y356-E386 PolarHBondContact N-OE1 3.26Å; R358-E386 IonicContact CZ-OE1 2.64Å; R358-E386 VanDerWaalsContact CZ-OE1 3.25Å; R358-E386 IonicContact NE-OE1 2.9Å; R358-E386 PolarHBondContact NE-OE1 3.46Å; R358-E386 IonicContact NH2-OE1 3.61Å; R358-E386 PolarHBondContact NH2-OE1 3.17Å; A372-E386 PolarHBondContact N-O 3.08Å; A372-E386 PolarHBondContact O-N 3.44Å; E386-W395 HydrophobicContact CB-CE3 3.57Å; E386-W395 HydrophobicContact CB-CZ3 3.85Å; E386-S396 CarbonylContact C-O 3.53Å; E386-F397 HydrophobicContact CG-CD1 3.76Å; E386-F397 HydrophobicContact CG-CE1 3.37Å; E386-F397 HydrophobicContact CG-CZ 4.09Å
387	C	98.5	Very high	93.2	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.034	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.5	-176.9	171	0	0	0	0	108.9	K369 L370 I371 W395 S396 L398	K369-C387 VanDerWaalsContact CB-SG 3.57Å; K369-C387 WeakPolarHBondContact CD-SG 3.35Å; L370-C387 CarbonylContact O-C 3.58Å; L370-C387 WeakPolarHBondContact O-CA 3.36Å; I371-C387 HydrophobicContact CD1-CB 3.75Å; I371-C387 VanDerWaalsContact CD1-SG 3.51Å; C387-W395 WeakPolarHBondContact O-CA 3.39Å; C387-S396 PolarHBondContact N-O 3.31Å; C387-S396 PolarHBondContact O-N 3.44Å; C387-S396 PolarHBondContact O-OG 2.83Å; C387-L398 HydrophobicContact CB-CD1 4.17Å; C387-L398 HydrophobicContact CB-CD2 4.16Å; C387-L398 HydrophobicContact CB-CG 3.89Å
388	Y	98.6	Very high	93.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.2	178.2	179.7	-109.1	0	0	0	110.8	K369 L370 P390 D393 W395 Y609	K369-Y388 WeakPolarHBondContact CA-O 3.43Å; K369-Y388 WeakPolarHBondContact CB-O 3.01Å; L370-Y388 PolarHBondContact N-O 2.76Å; L370-Y388 PolarHBondContact O-N 2.91Å; Y388-P390 HydrophobicContact CD1-CG 4.09Å; Y388-P390 HydrophobicContact CE1-CB 4.23Å; Y388-P390 HydrophobicContact CE1-CG 4.09Å; Y388-P390 WeakPolarHBondContact O-CD 3.33Å; Y388-D393 WeakPolarHBondContact CE2-OD1 3.49Å; Y388-D393 VanDerWaalsContact CZ-OD1 3.25Å; Y388-D393 PolarHBondContact OH-OD1 3.05Å; Y388-W395 AromaticContact CD2-CD1 3.67Å; Y388-W395 AromaticContact CD2-CD2 3.92Å; Y388-W395 HydrophobicContact CD2-CD2 3.92Å; Y388-W395 AromaticContact CD2-CE2 3.54Å; Y388-W395 HydrophobicContact CD2-CG 4.02Å; Y388-W395 HydrophobicContact CD2-CZ2 4.07Å; Y388-W395 AromaticContact CD2-NE1 3.33Å; Y388-W395 VanDerWaalsContact CD2-NE1 3.33Å; Y388-W395 AromaticContact CE2-NE1 3.92Å; Y388-W395 HydrophobicContact CG-CD2 4.24Å; Y388-W395 AromaticContact CG-CE2 3.87Å; Y388-W395 HydrophobicContact CG-CH2 4.42Å; Y388-W395 AromaticContact CG-CZ2 3.97Å; Y388-W395 HydrophobicContact CG-CZ2 3.97Å; Y388-Y609 HydrophobicContact CD1-CE1 4.18Å; Y388-Y609 HydrophobicContact CE1-CD1 4.45Å; Y388-Y609 AromaticContact CE1-CE1 3.73Å; Y388-Y609 HydrophobicContact CE1-CE1 3.73Å
389	D	97.4	Very high	94.4	Very high	26 Å²	26	51.6 Å²	51.6	14%	0.139	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	107.9	172.2	-169.3	-33.6	0	0	0	109.8	K369 H391 T392 D393 H394	K369-D389 HydrophobicContact CD-CB 4.16Å; K369-D389 WeakPolarHBondContact CE-OD2 3.38Å; K369-D389 IonicContact NZ-OD2 2.62Å; K369-D389 PolarHBondContact NZ-OD2 2.95Å; D389-H391 PolarHBondContact O-N 2.97Å; D389-H391 WeakPolarHBondContact OD1-CB 3.25Å; D389-H391 IonicContact OD1-CD2 2.82Å; D389-H391 IonicContact OD1-CG 2.82Å; D389-H391 PolarHBondContact OD1-N 3.31Å; D389-T392 WeakPolarHBondContact CB-OG1 3.34Å; D389-T392 PolarHBondContact O-N 3.3Å; D389-D393 WeakPolarHBondContact O-CA 3.41Å; D389-D393 PolarHBondContact O-N 2.71Å; D389-H394 PolarHBondContact N-O 2.75Å; D389-H394 PolarHBondContact O-N 2.91Å
390	P	94.6	Very high	95.2	Very high	27 Å²	27	45.8 Å²	45.8	18%	0.175	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.4	-179.8	-26.7	37.3	0	0	0	114.6	Y388 V604 Y609	Y388-P390 HydrophobicContact CD1-CG 4.09Å; Y388-P390 HydrophobicContact CE1-CB 4.23Å; Y388-P390 HydrophobicContact CE1-CG 4.09Å; Y388-P390 WeakPolarHBondContact O-CD 3.33Å; P390-V604 HydrophobicContact CG-CG1 4.17Å; P390-Y609 WeakPolarHBondContact CB-OH 3.21Å
391	H	92.3	Very high	95.8	Very high	159 Å²	159	41 Å²	41	74%	0.736	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-32.9	-177.9	-65.4	-67.9	0	0	0	112.1	D389	D389-H391 PolarHBondContact O-N 2.97Å; D389-H391 WeakPolarHBondContact OD1-CB 3.25Å; D389-H391 IonicContact OD1-CD2 2.82Å; D389-H391 IonicContact OD1-CG 2.82Å; D389-H391 PolarHBondContact OD1-N 3.31Å
392	T	93.1	Very high	95.7	Very high	88 Å²	88	47.5 Å²	47.5	54%	0.54	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-6.1	-179.4	62.5	0	0	0	0	113.3	D389 H394	D389-T392 WeakPolarHBondContact CB-OG1 3.34Å; D389-T392 PolarHBondContact O-N 3.3Å; T392-H394 VanDerWaalsContact C-N 3.29Å; T392-H394 PolarHBondContact O-N 3.04Å
393	D	94.8	Very high	95.5	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.032	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	53.4	-169.6	-175.4	42.9	0	0	0	111.7	K349 M351 S352 Y388 D389 T637	K349-D393 VanDerWaalsContact CE-OD2 3.23Å; K349-D393 WeakPolarHBondContact CE-OD2 2.79Å; K349-D393 IonicContact NZ-OD2 3.51Å; K349-D393 PolarHBondContact NZ-OD2 3.02Å; M351-D393 WeakPolarHBondContact CA-OD1 3.5Å; S352-D393 WeakPolarHBondContact CB-O 3.24Å; S352-D393 PolarHBondContact N-OD1 3.27Å; S352-D393 PolarHBondContact N-OD2 3.39Å; S352-D393 PolarHBondContact OG-O 3.25Å; S352-D393 PolarHBondContact OG-OD2 3.25Å; Y388-D393 WeakPolarHBondContact CE2-OD1 3.49Å; Y388-D393 VanDerWaalsContact CZ-OD1 3.25Å; Y388-D393 PolarHBondContact OH-OD1 3.05Å; D389-D393 WeakPolarHBondContact O-CA 3.41Å; D389-D393 PolarHBondContact O-N 2.71Å; D393-T637 HydrophobicContact CB-CG2 3.96Å
394	H	95.4	Very high	95.3	Very high	119 Å²	119	46.5 Å²	46.5	55%	0.551	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	142	-176.7	-162.4	69.7	0	0	0	111.5	D389 T392	D389-H394 PolarHBondContact N-O 2.75Å; D389-H394 PolarHBondContact O-N 2.91Å; T392-H394 VanDerWaalsContact C-N 3.29Å; T392-H394 PolarHBondContact O-N 3.04Å
395	W	98.1	Very high	95	Very high	24 Å²	24	45.1 Å²	45.1	9%	0.091	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.9	171.7	-71.4	91.8	0	0	0	109.9	S352 M354 L370 A372 E386 C387 Y388 V611 V623	S352-W395 VanDerWaalsContact O-CD1 3.28Å; S352-W395 PolarHBondContact O-NE1 3.01Å; M354-W395 HydrophobicContact CG-CD2 3.87Å; M354-W395 HydrophobicContact CG-CE3 3.95Å; M354-W395 HydrophobicContact CG-CH2 3.4Å; M354-W395 HydrophobicContact CG-CZ2 3.32Å; M354-W395 HydrophobicContact CG-CZ3 3.71Å; M354-W395 HydrophobicContact SD-CH2 3.8Å; M354-W395 HydrophobicContact SD-CZ2 4.24Å; M354-W395 HydrophobicContact SD-CZ3 4.13Å; L370-W395 HydrophobicContact CD2-CH2 4.23Å; A372-W395 HydrophobicContact CB-CH2 4.18Å; A372-W395 HydrophobicContact CB-CZ3 3.95Å; E386-W395 HydrophobicContact CB-CE3 3.57Å; E386-W395 HydrophobicContact CB-CZ3 3.85Å; C387-W395 WeakPolarHBondContact O-CA 3.39Å; Y388-W395 AromaticContact CD2-CD1 3.67Å; Y388-W395 AromaticContact CD2-CD2 3.92Å; Y388-W395 HydrophobicContact CD2-CD2 3.92Å; Y388-W395 AromaticContact CD2-CE2 3.54Å; Y388-W395 HydrophobicContact CD2-CG 4.02Å; Y388-W395 HydrophobicContact CD2-CZ2 4.07Å; Y388-W395 AromaticContact CD2-NE1 3.33Å; Y388-W395 VanDerWaalsContact CD2-NE1 3.33Å; Y388-W395 AromaticContact CE2-NE1 3.92Å; Y388-W395 HydrophobicContact CG-CD2 4.24Å; Y388-W395 AromaticContact CG-CE2 3.87Å; Y388-W395 HydrophobicContact CG-CH2 4.42Å; Y388-W395 AromaticContact CG-CZ2 3.97Å; Y388-W395 HydrophobicContact CG-CZ2 3.97Å; W395-V611 HydrophobicContact CH2-CG2 3.84Å; W395-V611 HydrophobicContact CZ2-CG2 3.9Å; W395-V623 HydrophobicContact CZ2-CB 4.41Å
396	S	96.7	Very high	94.7	Very high	52 Å²	52	45.2 Å²	45.2	36%	0.364	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	156.9	170.5	58.2	0	0	0	0	110.4	E386 C387	E386-S396 CarbonylContact C-O 3.53Å; C387-S396 PolarHBondContact N-O 3.31Å; C387-S396 PolarHBondContact O-N 3.44Å; C387-S396 PolarHBondContact O-OG 2.83Å
397	F	97.7	Very high	94.5	Very high	95 Å²	95	48.4 Å²	48.4	42%	0.417	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	139.8	171.8	-70.9	-73.6	0	0	0	111.4	Q355 Y356 V385 E386	Q355-F397 HydrophobicContact CB-CZ 4.21Å; Y356-F397 HydrophobicContact CD2-CE1 4.31Å; Y356-F397 HydrophobicContact CD2-CZ 4.29Å; Y356-F397 HydrophobicContact CE2-CE1 4.08Å; Y356-F397 AromaticContact CE2-CZ 3.86Å; Y356-F397 HydrophobicContact CE2-CZ 3.86Å; V385-F397 WeakPolarHBondContact O-CA 3.04Å; E386-F397 HydrophobicContact CG-CD1 3.76Å; E386-F397 HydrophobicContact CG-CE1 3.37Å; E386-F397 HydrophobicContact CG-CZ 4.09Å
398	L	96.6	Very high	94.2	Very high	30 Å²	30	48.6 Å²	48.6	16%	0.157	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	173.4	157.7	-57.5	-177.5	0	0	0	109	M366 I371 V385 C387 Y436	M366-L398 HydrophobicContact CE-CD1 4.07Å; I371-L398 HydrophobicContact CD1-CD1 3.87Å; I371-L398 HydrophobicContact CG2-CD1 4.32Å; V385-L398 HydrophobicContact CB-CB 4.28Å; V385-L398 HydrophobicContact CG1-CB 4.14Å; V385-L398 HydrophobicContact CG1-CD1 4.19Å; V385-L398 HydrophobicContact CG1-CG 4.49Å; V385-L398 PolarHBondContact O-N 3.18Å; C387-L398 HydrophobicContact CB-CD1 4.17Å; C387-L398 HydrophobicContact CB-CD2 4.16Å; C387-L398 HydrophobicContact CB-CG 3.89Å; L398-Y436 HydrophobicContact CB-CE2 4.29Å; L398-Y436 HydrophobicContact CD1-CE1 4.12Å
399	A	95.1	Very high	94.1	Very high	14 Å²	14	50.9 Å²	50.9	12%	0.116	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-52.6	133.3	172.5	0	0	0	0	0	111.5	Y436 D441 W443	A399-Y436 HydrophobicContact CB-CE2 4.41Å; A399-D441 WeakPolarHBondContact CB-O 3.4Å; A399-D441 PolarHBondContact N-OD1 3.16Å; A399-W443 VanDerWaalsContact O-CD1 3.23Å; A399-W443 PolarHBondContact O-NE1 3.19Å
400	P	96.2	Very high	94.1	Very high	53 Å²	53	50.3 Å²	50.3	34%	0.344	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-71.2	145.8	179.6	29.6	-34.4	0	0	0	110.3	R383	R383-P400 HydrophobicContact CG-CB 4.35Å; R383-P400 WeakPolarHBondContact O-CA 3.5Å
401	M	94.7	Very high	94.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-53.9	154.3	169	-68	-178.8	-66.9	0	0	110.2	G374 R383 V385 T403 R405 F408 V419 W443	G374-M401 VanDerWaalsContact CA-CE 3.48Å; R383-M401 PolarHBondContact NE-O 2.96Å; R383-M401 PolarHBondContact NH2-O 3.27Å; R383-M401 PolarHBondContact O-N 3.4Å; V385-M401 HydrophobicContact CG2-CG 4.13Å; M401-T403 VanDerWaalsContact C-N 3.29Å; M401-T403 PolarHBondContact O-N 2.94Å; M401-R405 HydrophobicContact CE-CB 3.84Å; M401-R405 HydrophobicContact SD-CB 4.16Å; M401-F408 HydrophobicContact CE-CZ 4.38Å; M401-F408 HydrophobicContact SD-CZ 4.34Å; M401-V419 HydrophobicContact SD-CG1 4.4Å; M401-V419 HydrophobicContact SD-CG2 4.01Å; M401-W443 HydrophobicContact CG-CD2 3.9Å; M401-W443 HydrophobicContact CG-CE3 4.31Å; M401-W443 HydrophobicContact CG-CG 4.42Å; M401-W443 HydrophobicContact CG-CH2 4.21Å; M401-W443 HydrophobicContact CG-CZ2 3.8Å; M401-W443 HydrophobicContact CG-CZ3 4.45Å
402	R	88.8	Confident	94.4	Very high	157 Å²	157	44.6 Å²	44.6	59%	0.592	23%	0.228	S	C	*	.	S	Bend	trans	-66.7	-33.7	-176.5	-59.8	-174.4	82.3	-132.2	3.9	112.2	E434 W443	R402-E434 WeakPolarHBondContact CB-OE2 3.38Å; R402-E434 WeakPolarHBondContact CG-OE2 3.46Å; R402-E434 PolarHBondContact N-OE2 2.64Å; R402-W443 HydrophobicContact CG-CB 4.46Å
403	T	87.4	Confident	94.6	Very high	51 Å²	51	40.7 Å²	40.7	31%	0.313	20%	0.204	S	C	.	.	S	Bend	trans	-129.4	148.5	176.6	52	0	0	0	0	111.5	M401 R405	M401-T403 VanDerWaalsContact C-N 3.29Å; M401-T403 PolarHBondContact O-N 2.94Å; T403-R405 PolarHBondContact O-N 3.12Å
404	P	91.2	Very high	94.5	Very high	37 Å²	37	46.2 Å²	46.2	24%	0.24	23%	0.231	C	C	.	.			trans	-54.1	137.8	170.4	-27	36	0	0	0	112.2	C381 L382 R383 N424	C381-P404 HydrophobicContact CB-CB 4.01Å; C381-P404 WeakPolarHBondContact O-CB 3.36Å; L382-P404 WeakPolarHBondContact O-CA 3.42Å; R383-P404 HydrophobicContact CB-CB 4.42Å; R383-P404 HydrophobicContact CB-CG 4.15Å; P404-N424 VanDerWaalsContact O-CA 3.3Å; P404-N424 WeakPolarHBondContact O-CA 3.38Å; P404-N424 WeakPolarHBondContact O-CB 3.45Å
405	R	91.4	Very high	94.3	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	23%	0.229	C	C	.	.			trans	-147	127	-176	-166.1	-175.3	-63.4	-94.3	-0	110.5	G375 L382 M401 T403 F408 G421 L430 C432 E434	G375-R405 PolarHBondContact N-O 3.48Å; L382-R405 PolarHBondContact O-N 3.32Å; M401-R405 HydrophobicContact CE-CB 3.84Å; M401-R405 HydrophobicContact SD-CB 4.16Å; T403-R405 PolarHBondContact O-N 3.12Å; R405-F408 HydrophobicContact CB-CD1 4.17Å; R405-F408 HydrophobicContact CB-CE1 4.09Å; R405-F408 HydrophobicContact CG-CB 4.33Å; R405-F408 HydrophobicContact CG-CD1 3.51Å; R405-F408 HydrophobicContact CG-CE1 3.91Å; R405-F408 HydrophobicContact CG-CG 3.91Å; R405-F408 VanDerWaalsContact O-CE1 3.27Å; R405-F408 WeakPolarHBondContact O-CE1 3.39Å; R405-G421 WeakPolarHBondContact CD-O 3.44Å; R405-G421 PolarHBondContact NH1-O 3.16Å; R405-L430 HydrophobicContact CG-CD1 3.88Å; R405-C432 PolarHBondContact NH2-O 2.71Å; R405-E434 IonicContact CZ-OE1 2.71Å; R405-E434 IonicContact NE-OE1 2.6Å; R405-E434 IonicContact NH2-OE1 2.75Å; R405-E434 PolarHBondContact NH2-OE1 2.6Å
406	A	92.5	Very high	94.1	Very high	1 Å²	1	44 Å²	44	1%	0.008	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-134.7	168.5	174.2	0	0	0	0	0	110.6	G360 Y376 C381 F408 G422 S423	G360-A406 CarbonylContact O-C 3.57Å; Y376-A406 HydrophobicContact CD1-CB 3.75Å; Y376-A406 HydrophobicContact CG-CB 4.23Å; C381-A406 VanDerWaalsContact SG-CB 3.55Å; A406-F408 PolarHBondContact O-N 3.49Å; A406-G422 CarbonylContact O-C 3.56Å; A406-G422 WeakPolarHBondContact O-CA 3.35Å; A406-S423 PolarHBondContact N-O 3.05Å; A406-S423 PolarHBondContact O-N 3.37Å
407	R	92.5	Very high	94.2	Very high	70 Å²	70	41.5 Å²	41.5	26%	0.264	22%	0.218	S	C	.	.	S	Bend	trans	58.7	37.2	176.9	-57.2	173.5	72.3	-169.3	6.4	112.4	G360 Y376 N455	G360-R407 PolarHBondContact O-N 3.33Å; Y376-R407 HydrophobicContact CE1-CG 4.3Å; R407-N455 WeakPolarHBondContact CB-OD1 3.49Å; R407-N455 PolarHBondContact NE-ND2 3.21Å; R407-N455 PolarHBondContact NE-OD1 3.46Å; R407-N455 PolarHBondContact NH2-ND2 2.79Å; R407-N455 WeakPolarHBondContact O-CA 3.41Å; R407-N455 PolarHBondContact O-N 3.19Å
408	F	93.7	Very high	94.1	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.039	20%	0.2	C	C	.	.			trans	-121.6	167.6	175.6	73.7	-77.5	0	0	0	109.6	A373 M401 R405 A406 M410 V419	A373-F408 HydrophobicContact CB-CZ 4.23Å; A373-F408 VanDerWaalsContact O-CZ 3.28Å; A373-F408 WeakPolarHBondContact O-CZ 3.47Å; M401-F408 HydrophobicContact CE-CZ 4.38Å; M401-F408 HydrophobicContact SD-CZ 4.34Å; R405-F408 HydrophobicContact CB-CD1 4.17Å; R405-F408 HydrophobicContact CB-CE1 4.09Å; R405-F408 HydrophobicContact CG-CB 4.33Å; R405-F408 HydrophobicContact CG-CD1 3.51Å; R405-F408 HydrophobicContact CG-CE1 3.91Å; R405-F408 HydrophobicContact CG-CG 3.91Å; R405-F408 VanDerWaalsContact O-CE1 3.27Å; R405-F408 WeakPolarHBondContact O-CE1 3.39Å; A406-F408 PolarHBondContact O-N 3.49Å; F408-M410 HydrophobicContact CE2-CB 4.25Å; F408-V419 HydrophobicContact CD2-CB 3.84Å; F408-V419 HydrophobicContact CD2-CG1 4.08Å; F408-V419 HydrophobicContact CE2-CB 3.63Å; F408-V419 HydrophobicContact CE2-CG1 3.4Å; F408-V419 HydrophobicContact CZ-CG1 4.21Å
409	Q	95.2	Very high	94	Very high	48 Å²	48	36.1 Å²	36.1	22%	0.224	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151.4	165.3	-82.2	-178.8	2.6	0	0	109.8	V458 S505	Q409-V458 HydrophobicContact CB-CB 3.98Å; Q409-V458 HydrophobicContact CB-CG2 4.16Å; Q409-S505 PolarHBondContact NE2-O 3.2Å
410	M	97.2	Very high	93.8	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.069	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.6	179.7	-176.3	160.4	67.7	0	0	108.9	T363 A364 I371 A373 F408 L417 Y418 V419 W443	T363-M410 VanDerWaalsContact C-CE 3.46Å; A364-M410 HydrophobicContact CB-CE 3.67Å; A364-M410 HydrophobicContact CB-CG 4.48Å; I371-M410 HydrophobicContact CB-CE 4.15Å; I371-M410 HydrophobicContact CG2-CE 4.02Å; A373-M410 HydrophobicContact CB-CE 4.25Å; A373-M410 HydrophobicContact CB-SD 4.05Å; F408-M410 HydrophobicContact CE2-CB 4.25Å; M410-L417 HydrophobicContact CE-CD1 4.43Å; M410-L417 HydrophobicContact CG-CB 4.31Å; M410-L417 HydrophobicContact SD-CB 3.99Å; M410-L417 HydrophobicContact SD-CD1 4.07Å; M410-L417 HydrophobicContact SD-CD2 4.35Å; M410-L417 HydrophobicContact SD-CG 4.38Å; M410-Y418 WeakPolarHBondContact CA-O 3.24Å; M410-V419 HydrophobicContact CB-CG1 4.29Å; M410-V419 HydrophobicContact CG-CG1 3.97Å; M410-V419 HydrophobicContact SD-CG1 3.87Å; M410-W443 HydrophobicContact SD-CH2 4.44Å
411	A	97.4	Very high	93.5	Very high	7 Å²	7	33.2 Å²	33.2	6%	0.058	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.1	174.4	0	0	0	0	0	110.5	Y418 V458 L465	A411-Y418 PolarHBondContact N-O 3.14Å; A411-Y418 VanDerWaalsContact N-O 3.1Å; A411-Y418 PolarHBondContact O-N 3.29Å; A411-V458 HydrophobicContact CB-CG1 3.99Å; A411-L465 HydrophobicContact CB-CD1 3.62Å
412	V	97.1	Very high	93.1	Very high	60 Å²	60	33.4 Å²	33.4	36%	0.364	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122	169.6	-171.5	0	0	0	0	107.7	A364 E365 Q416 L417 A460	A364-V412 HydrophobicContact CB-CG2 3.61Å; E365-V412 WeakPolarHBondContact O-CG2 3.35Å; V412-Q416 WeakPolarHBondContact CA-O 3.48Å; V412-L417 HydrophobicContact CG2-CD2 3.87Å; V412-A460 WeakPolarHBondContact O-CB 3.47Å
413	L	96.3	Very high	93	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	121.2	177.5	-178	65.2	0	0	0	109.2	G415 Q416 Y418 A460 L465 P487	L413-G415 PolarHBondContact O-N 2.8Å; L413-Q416 PolarHBondContact N-O 3.18Å; L413-Q416 PolarHBondContact O-N 3.16Å; L413-Y418 HydrophobicContact CB-CD2 3.79Å; L413-Y418 HydrophobicContact CB-CE2 3.82Å; L413-Y418 HydrophobicContact CD2-CE2 4.23Å; L413-Y418 HydrophobicContact CG-CE2 4.37Å; L413-A460 HydrophobicContact CB-CB 4.2Å; L413-A460 HydrophobicContact CD1-CB 3.73Å; L413-L465 HydrophobicContact CD2-CB 4.18Å; L413-P487 HydrophobicContact CD2-CB 4.38Å; L413-P487 HydrophobicContact CD2-CG 3.75Å
414	M	92.9	Very high	92.7	Very high	121 Å²	121	26 Å²	26	60%	0.596	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	37.7	-177.9	-61.6	-178.1	-78.2	0	0	113.4	Q416 P487	M414-Q416 VanDerWaalsContact C-N 3.3Å; M414-Q416 PolarHBondContact O-N 3.17Å; M414-P487 HydrophobicContact CE-CB 4.08Å; M414-P487 HydrophobicContact CE-CG 3.3Å
415	G	91.3	Very high	91.8	Very high	49 Å²	49	27.3 Å²	27.3	51%	0.505	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	4.6	179.4	0	0	0	0	0	115.3	L413	L413-G415 PolarHBondContact O-N 2.8Å
416	Q	94.8	Very high	90.7	Very high	48 Å²	48	33.9 Å²	33.9	22%	0.224	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	148.1	177.5	-65.9	178.6	-43.6	0	0	110.9	V412 L413 M414 Y418 M435	V412-Q416 WeakPolarHBondContact CA-O 3.48Å; L413-Q416 PolarHBondContact N-O 3.18Å; L413-Q416 PolarHBondContact O-N 3.16Å; M414-Q416 VanDerWaalsContact C-N 3.3Å; M414-Q416 PolarHBondContact O-N 3.17Å; Q416-Y418 HydrophobicContact CB-CE2 3.97Å; Q416-M435 HydrophobicContact CB-CG 4.09Å; Q416-M435 HydrophobicContact CB-SD 4.48Å; Q416-M435 PolarHBondContact OE1-SD 2.86Å
417	L	97.6	Very high	88.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.9	175.7	-52	172.9	0	0	0	109.6	A364 M366 I371 M410 V412 M435 Y436 W443	A364-L417 HydrophobicContact CB-CD2 3.77Å; M366-L417 HydrophobicContact CB-CD2 4.48Å; M366-L417 HydrophobicContact CE-CD1 3.8Å; M366-L417 HydrophobicContact CE-CG 4.37Å; M366-L417 HydrophobicContact SD-CD1 3.91Å; M366-L417 HydrophobicContact SD-CD2 4.22Å; M366-L417 HydrophobicContact SD-CG 3.8Å; I371-L417 HydrophobicContact CB-CD1 4.4Å; I371-L417 HydrophobicContact CG1-CD1 4.24Å; I371-L417 HydrophobicContact CG2-CD1 3.94Å; M410-L417 HydrophobicContact CE-CD1 4.43Å; M410-L417 HydrophobicContact CG-CB 4.31Å; M410-L417 HydrophobicContact SD-CB 3.99Å; M410-L417 HydrophobicContact SD-CD1 4.07Å; M410-L417 HydrophobicContact SD-CD2 4.35Å; M410-L417 HydrophobicContact SD-CG 4.38Å; V412-L417 HydrophobicContact CG2-CD2 3.87Å; L417-M435 CarbonylContact O-C 3.5Å; L417-M435 VanDerWaalsContact O-CA 3.25Å; L417-M435 WeakPolarHBondContact O-CA 3.19Å; L417-Y436 HydrophobicContact CD1-CD1 4.01Å; L417-Y436 HydrophobicContact CD1-CG 4.41Å; L417-Y436 HydrophobicContact CG-CD1 4.42Å; L417-Y436 PolarHBondContact O-N 3.26Å; L417-W443 HydrophobicContact CB-CH2 4.44Å
418	Y	96.7	Very high	87.2	Confident	12 Å²	12	40.9 Å²	40.9	5%	0.047	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.7	173.3	-74	-97	0	0	0	110.4	M410 A411 L413 Q416 M435 V446 L449	M410-Y418 WeakPolarHBondContact CA-O 3.24Å; A411-Y418 PolarHBondContact N-O 3.14Å; A411-Y418 VanDerWaalsContact N-O 3.1Å; A411-Y418 PolarHBondContact O-N 3.29Å; L413-Y418 HydrophobicContact CB-CD2 3.79Å; L413-Y418 HydrophobicContact CB-CE2 3.82Å; L413-Y418 HydrophobicContact CD2-CE2 4.23Å; L413-Y418 HydrophobicContact CG-CE2 4.37Å; Q416-Y418 HydrophobicContact CB-CE2 3.97Å; Y418-M435 HydrophobicContact CD1-CB 4.01Å; Y418-M435 HydrophobicContact CD1-CG 4.18Å; Y418-M435 HydrophobicContact CD2-CG 4.42Å; Y418-M435 HydrophobicContact CE1-CB 3.81Å; Y418-M435 HydrophobicContact CE1-CG 3.72Å; Y418-M435 HydrophobicContact CE1-SD 3.89Å; Y418-M435 HydrophobicContact CE2-CG 4.01Å; Y418-M435 HydrophobicContact CE2-SD 4.29Å; Y418-M435 VanDerWaalsContact CZ-SD 3.56Å; Y418-M435 PolarHBondContact OH-SD 3.42Å; Y418-V446 HydrophobicContact CE1-CG2 4.42Å; Y418-L449 HydrophobicContact CD1-CD1 3.8Å; Y418-L449 HydrophobicContact CE1-CD1 4.34Å
419	V	94.6	Very high	85.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125	173	-56	0	0	0	0	109.8	M401 F408 M410 G433 E434 W443	M401-V419 HydrophobicContact SD-CG1 4.4Å; M401-V419 HydrophobicContact SD-CG2 4.01Å; F408-V419 HydrophobicContact CD2-CB 3.84Å; F408-V419 HydrophobicContact CD2-CG1 4.08Å; F408-V419 HydrophobicContact CE2-CB 3.63Å; F408-V419 HydrophobicContact CE2-CG1 3.4Å; F408-V419 HydrophobicContact CZ-CG1 4.21Å; M410-V419 HydrophobicContact CB-CG1 4.29Å; M410-V419 HydrophobicContact CG-CG1 3.97Å; M410-V419 HydrophobicContact SD-CG1 3.87Å; V419-G433 VanDerWaalsContact O-CA 3.27Å; V419-G433 WeakPolarHBondContact O-CA 3.31Å; V419-E434 HydrophobicContact CG2-CB 3.71Å; V419-E434 HydrophobicContact CG2-CG 4.49Å; V419-E434 PolarHBondContact N-O 2.95Å; V419-E434 PolarHBondContact O-N 2.99Å; V419-W443 HydrophobicContact CB-CZ3 4.28Å; V419-W443 HydrophobicContact CG1-CH2 3.57Å; V419-W443 HydrophobicContact CG1-CZ3 3.67Å; V419-W443 HydrophobicContact CG2-CE3 4.28Å; V419-W443 HydrophobicContact CG2-CH2 4.28Å; V419-W443 HydrophobicContact CG2-CZ3 3.65Å
420	V	91.6	Very high	84	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.2	-173.7	-175.4	0	0	0	0	110.6	L449 T451 V458 L465 I467	V420-L449 HydrophobicContact CG2-CB 4.3Å; V420-L449 HydrophobicContact CG2-CD1 3.78Å; V420-L449 HydrophobicContact CG2-CD2 4.13Å; V420-L449 HydrophobicContact CG2-CG 4.3Å; V420-T451 HydrophobicContact CG1-CG2 3.77Å; V420-V458 HydrophobicContact CB-CG2 4.29Å; V420-L465 HydrophobicContact CG2-CD2 3.62Å; V420-I467 HydrophobicContact CG1-CG1 4.07Å
421	G	88.1	Confident	82	Confident	3 Å²	3	45.4 Å²	45.4	3%	0.031	28%	0.28	C	S	.	.			trans	70.1	-156.2	179.2	0	0	0	0	0	113.8	R405 L430 R453	R405-G421 WeakPolarHBondContact CD-O 3.44Å; R405-G421 PolarHBondContact NH1-O 3.16Å; G421-L430 WeakPolarHBondContact O-CD1 3.45Å; G421-R453 CarbonylContact C-O 3.56Å; G421-R453 WeakPolarHBondContact CA-O 3.32Å
422	G	88.2	Confident	80.7	Confident	4 Å²	4	46.4 Å²	46.4	4%	0.041	29%	0.286	C	S	.	.			trans	89.9	-168.9	-177.2	0	0	0	0	0	114.3	A406 L430 R453 C454	A406-G422 CarbonylContact O-C 3.56Å; A406-G422 WeakPolarHBondContact O-CA 3.35Å; G422-L430 WeakPolarHBondContact O-CD1 3.47Å; G422-R453 PolarHBondContact N-O 2.87Å; G422-C454 PolarHBondContact O-SG 2.6Å
423	S	85.3	Confident	80.3	Confident	30 Å²	30	43.5 Å²	43.5	21%	0.21	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-135.7	148.2	-177.8	60.3	0	0	0	0	112.1	C381 A406	C381-S423 PolarHBondContact SG-O 2.86Å; C381-S423 VanDerWaalsContact SG-O 3.4Å; A406-S423 PolarHBondContact N-O 3.05Å; A406-S423 PolarHBondContact O-N 3.37Å
424	N	82.4	Confident	80.2	Confident	22 Å²	22	43.5 Å²	43.5	12%	0.118	27%	0.268	C	S	.	.			trans	-101.2	8	-177.9	57.3	14.1	0	0	0	114.6	P404 H426 D428 L430	P404-N424 VanDerWaalsContact O-CA 3.3Å; P404-N424 WeakPolarHBondContact O-CA 3.38Å; P404-N424 WeakPolarHBondContact O-CB 3.45Å; N424-H426 PolarHBondContact O-N 2.63Å; N424-H426 PolarHBondContact O-ND1 3.32Å; N424-H426 WeakPolarHBondContact OD1-CA 3.44Å; N424-H426 PolarHBondContact OD1-N 3.39Å; N424-H426 PolarHBondContact OD1-O 2.88Å; N424-D428 PolarHBondContact ND2-O 2.86Å; N424-D428 VanDerWaalsContact ND2-O 3.09Å; N424-L430 HydrophobicContact CB-CD2 3.73Å; N424-L430 HydrophobicContact CB-CG 4.47Å
425	G	71.5	Confident	80.3	Confident	64 Å²	64	38.8 Å²	38.8	66%	0.66	25%	0.245	S	C	*	.	S	Bend	trans	75.7	0.8	-175.5	0	0	0	0	0	114.9
426	H	67.5	Low	80.6	Confident	141 Å²	141	36.8 Å²	36.8	65%	0.653	22%	0.222	S	C	*	.	S	Bend	trans	-115.2	162.5	174.6	-60.1	73.1	0	0	0	109.2	N424 D428	N424-H426 PolarHBondContact O-N 2.63Å; N424-H426 PolarHBondContact O-ND1 3.32Å; N424-H426 WeakPolarHBondContact OD1-CA 3.44Å; N424-H426 PolarHBondContact OD1-N 3.39Å; N424-H426 PolarHBondContact OD1-O 2.88Å; H426-D428 PolarHBondContact O-N 3.37Å; H426-D428 VanDerWaalsContact O-N 3.11Å
427	S	55.8	Low	80.4	Confident	98 Å²	98	35.8 Å²	35.8	69%	0.685	22%	0.218	S	C	*	.	S	Bend	trans	-73.4	7.2	179.2	55.7	0	0	0	0	114.3	Y474	S427-Y474 PolarHBondContact O-OH 3.19Å
428	D	56.2	Low	80.2	Confident	119 Å²	119	38 Å²	38	64%	0.636	23%	0.234	S	C	*	.	S	Bend	trans	-90.7	119.1	178.9	-79.5	-20.8	0	0	0	110.5	N424 H426 L430	N424-D428 PolarHBondContact ND2-O 2.86Å; N424-D428 VanDerWaalsContact ND2-O 3.09Å; H426-D428 PolarHBondContact O-N 3.37Å; H426-D428 VanDerWaalsContact O-N 3.11Å; D428-L430 PolarHBondContact O-N 3.16Å
429	D	56.8	Low	80	Confident	89 Å²	89	44 Å²	44	48%	0.476	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-51.7	126.4	169.9	-75.3	-29.3	0	0	0	110.1	S431 N452	D429-S431 PolarHBondContact O-N 3.41Å; D429-N452 HydrophobicContact CB-CB 4.31Å
430	L	64.3	Low	79.9	Confident	11 Å²	11	49 Å²	49	6%	0.058	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-56.4	126.1	179.5	-78.8	177.6	0	0	0	110.8	R405 G421 G422 N424 D428	R405-L430 HydrophobicContact CG-CD1 3.88Å; G421-L430 WeakPolarHBondContact O-CD1 3.45Å; G422-L430 WeakPolarHBondContact O-CD1 3.47Å; N424-L430 HydrophobicContact CB-CD2 3.73Å; N424-L430 HydrophobicContact CB-CG 4.47Å; D428-L430 PolarHBondContact O-N 3.16Å
431	S	56.3	Low	80	Confident	66 Å²	66	52.3 Å²	52.3	46%	0.462	31%	0.31	S	S	.	.			trans	-82.8	-19.8	-165.1	62.5	0	0	0	0	114.6	D429 R450	D429-S431 PolarHBondContact O-N 3.41Å; S431-R450 PolarHBondContact O-NE 3.21Å; S431-R450 PolarHBondContact O-NH2 2.88Å
432	C	70.8	Confident	80.4	Confident	28 Å²	28	56 Å²	56	19%	0.189	33%	0.329	C	S	.	.			trans	-157.8	159.8	179.1	-44.9	0	0	0	0	111.8	R405	R405-C432 PolarHBondContact NH2-O 2.71Å
433	G	88	Confident	80.7	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	165.1	157.9	0	0	0	0	0	110.9	V419 V446	V419-G433 VanDerWaalsContact O-CA 3.27Å; V419-G433 WeakPolarHBondContact O-CA 3.31Å; G433-V446 PolarHBondContact N-O 3.46Å; G433-V446 PolarHBondContact O-N 3.47Å
434	E	93.1	Very high	81.1	Confident	6 Å²	6	57.7 Å²	57.7	3%	0.028	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.8	179.9	-57.4	169.8	-112.7	0	0	110	R402 R405 V419 W443	R402-E434 WeakPolarHBondContact CB-OE2 3.38Å; R402-E434 WeakPolarHBondContact CG-OE2 3.46Å; R402-E434 PolarHBondContact N-OE2 2.64Å; R405-E434 IonicContact CZ-OE1 2.71Å; R405-E434 IonicContact NE-OE1 2.6Å; R405-E434 IonicContact NH2-OE1 2.75Å; R405-E434 PolarHBondContact NH2-OE1 2.6Å; V419-E434 HydrophobicContact CG2-CB 3.71Å; V419-E434 HydrophobicContact CG2-CG 4.49Å; V419-E434 PolarHBondContact N-O 2.95Å; V419-E434 PolarHBondContact O-N 2.99Å; E434-W443 HydrophobicContact CB-CE3 3.62Å; E434-W443 HydrophobicContact CB-CZ3 4.24Å
435	M	95.6	Very high	81.5	Confident	22 Å²	22	59 Å²	59	11%	0.108	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.7	178.4	177.6	-166.3	73.7	0	0	109	Q416 L417 Y418 W443 I444 V446	Q416-M435 HydrophobicContact CB-CG 4.09Å; Q416-M435 HydrophobicContact CB-SD 4.48Å; Q416-M435 PolarHBondContact OE1-SD 2.86Å; L417-M435 CarbonylContact O-C 3.5Å; L417-M435 VanDerWaalsContact O-CA 3.25Å; L417-M435 WeakPolarHBondContact O-CA 3.19Å; Y418-M435 HydrophobicContact CD1-CB 4.01Å; Y418-M435 HydrophobicContact CD1-CG 4.18Å; Y418-M435 HydrophobicContact CD2-CG 4.42Å; Y418-M435 HydrophobicContact CE1-CB 3.81Å; Y418-M435 HydrophobicContact CE1-CG 3.72Å; Y418-M435 HydrophobicContact CE1-SD 3.89Å; Y418-M435 HydrophobicContact CE2-CG 4.01Å; Y418-M435 HydrophobicContact CE2-SD 4.29Å; Y418-M435 VanDerWaalsContact CZ-SD 3.56Å; Y418-M435 PolarHBondContact OH-SD 3.42Å; M435-W443 CarbonylContact O-C 3.56Å; M435-W443 WeakPolarHBondContact O-CA 3.3Å; M435-I444 HydrophobicContact CE-CB 3.97Å; M435-I444 HydrophobicContact CE-CD1 3.67Å; M435-I444 HydrophobicContact CE-CG1 4.33Å; M435-I444 HydrophobicContact CE-CG2 4.36Å; M435-I444 PolarHBondContact N-O 2.86Å; M435-I444 PolarHBondContact O-N 3.29Å; M435-V446 HydrophobicContact CB-CG2 3.74Å
436	Y	97.4	Very high	82.4	Confident	6 Å²	6	56.7 Å²	56.7	2%	0.024	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127	175.7	-178.4	-104.2	0	0	0	110.5	M366 L398 A399 L417 D441 W443	M366-Y436 HydrophobicContact CE-CD1 3.74Å; M366-Y436 HydrophobicContact CE-CE1 3.42Å; M366-Y436 VanDerWaalsContact CE-CE1 3.42Å; M366-Y436 HydrophobicContact SD-CD1 4.11Å; M366-Y436 HydrophobicContact SD-CE1 4.22Å; L398-Y436 HydrophobicContact CB-CE2 4.29Å; L398-Y436 HydrophobicContact CD1-CE1 4.12Å; A399-Y436 HydrophobicContact CB-CE2 4.41Å; L417-Y436 HydrophobicContact CD1-CD1 4.01Å; L417-Y436 HydrophobicContact CD1-CG 4.41Å; L417-Y436 HydrophobicContact CG-CD1 4.42Å; L417-Y436 PolarHBondContact O-N 3.26Å; Y436-D441 VanDerWaalsContact CE2-OD1 3.31Å; Y436-D441 WeakPolarHBondContact CE2-OD1 3.46Å; Y436-D441 VanDerWaalsContact CZ-OD1 3.31Å; Y436-D441 PolarHBondContact OH-OD1 2.96Å; Y436-W443 AromaticContact CD2-CD1 3.85Å; Y436-W443 HydrophobicContact CD2-CD2 4.1Å; Y436-W443 AromaticContact CD2-CE2 3.72Å; Y436-W443 HydrophobicContact CD2-CG 4.21Å; Y436-W443 HydrophobicContact CD2-CZ2 4.22Å; Y436-W443 AromaticContact CD2-NE1 3.54Å; Y436-W443 HydrophobicContact CG-CD2 4.49Å; Y436-W443 HydrophobicContact CG-CZ2 4.27Å
437	D	90.9	Very high	82.9	Confident	27 Å²	27	53.3 Å²	53.3	14%	0.144	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	108.7	172.1	-172.6	-20.6	0	0	0	109.9	N439 I440 D441 D442 I444	D437-N439 PolarHBondContact O-N 3.17Å; D437-N439 WeakPolarHBondContact OD1-CB 3.47Å; D437-N439 PolarHBondContact OD1-N 3.19Å; D437-N439 PolarHBondContact OD1-ND2 3.39Å; D437-I440 HydrophobicContact CB-CD1 4.18Å; D437-I440 HydrophobicContact CB-CG1 3.81Å; D437-I440 PolarHBondContact O-N 3.3Å; D437-D441 PolarHBondContact O-N 3.24Å; D437-D442 PolarHBondContact N-O 2.95Å; D437-D442 PolarHBondContact O-N 3.38Å; D437-I444 HydrophobicContact CB-CD1 4.09Å
438	S	93.1	Very high	84.1	Confident	46 Å²	46	51.6 Å²	51.6	32%	0.322	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.4	-178	61.3	0	0	0	0	114.1
439	N	91.9	Very high	85.1	Confident	140 Å²	140	46 Å²	46	75%	0.749	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-30.5	-179.8	-57.6	-62.7	0	0	0	112.3	D437	D437-N439 PolarHBondContact O-N 3.17Å; D437-N439 WeakPolarHBondContact OD1-CB 3.47Å; D437-N439 PolarHBondContact OD1-N 3.19Å; D437-N439 PolarHBondContact OD1-ND2 3.39Å
440	I	92.6	Very high	85.8	Confident	103 Å²	103	49.4 Å²	49.4	53%	0.528	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-6.3	-179	60.7	171.2	0	0	0	112.8	D437 D442 I444	D437-I440 HydrophobicContact CB-CD1 4.18Å; D437-I440 HydrophobicContact CB-CG1 3.81Å; D437-I440 PolarHBondContact O-N 3.3Å; I440-D442 HydrophobicContact CD1-CB 3.95Å; I440-D442 HydrophobicContact CG1-CB 4.02Å; I440-I444 HydrophobicContact CD1-CD1 4.32Å
441	D	94.9	Very high	86.3	Confident	73 Å²	73	50.1 Å²	50.1	39%	0.39	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	60	-172.7	-175.1	28.9	0	0	0	110.8	A399 Y436 D437	A399-D441 WeakPolarHBondContact CB-O 3.4Å; A399-D441 PolarHBondContact N-OD1 3.16Å; Y436-D441 VanDerWaalsContact CE2-OD1 3.31Å; Y436-D441 WeakPolarHBondContact CE2-OD1 3.46Å; Y436-D441 VanDerWaalsContact CZ-OD1 3.31Å; Y436-D441 PolarHBondContact OH-OD1 2.96Å; D437-D441 PolarHBondContact O-N 3.24Å
442	D	95.1	Very high	87	Confident	82 Å²	82	50.6 Å²	50.6	44%	0.439	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.4	178.6	-157	3.4	0	0	0	112.4	D437 I440	D437-D442 PolarHBondContact N-O 2.95Å; D437-D442 PolarHBondContact O-N 3.38Å; I440-D442 HydrophobicContact CD1-CB 3.95Å; I440-D442 HydrophobicContact CG1-CB 4.02Å
443	W	95.4	Very high	87.7	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.5	178.3	-72	87.4	0	0	0	111.5	V385 A399 M401 R402 M410 L417 V419 E434 M435 Y436	V385-W443 HydrophobicContact CG2-CZ2 3.9Å; A399-W443 VanDerWaalsContact O-CD1 3.23Å; A399-W443 PolarHBondContact O-NE1 3.19Å; M401-W443 HydrophobicContact CG-CD2 3.9Å; M401-W443 HydrophobicContact CG-CE3 4.31Å; M401-W443 HydrophobicContact CG-CG 4.42Å; M401-W443 HydrophobicContact CG-CH2 4.21Å; M401-W443 HydrophobicContact CG-CZ2 3.8Å; M401-W443 HydrophobicContact CG-CZ3 4.45Å; R402-W443 HydrophobicContact CG-CB 4.46Å; M410-W443 HydrophobicContact SD-CH2 4.44Å; L417-W443 HydrophobicContact CB-CH2 4.44Å; V419-W443 HydrophobicContact CB-CZ3 4.28Å; V419-W443 HydrophobicContact CG1-CH2 3.57Å; V419-W443 HydrophobicContact CG1-CZ3 3.67Å; V419-W443 HydrophobicContact CG2-CE3 4.28Å; V419-W443 HydrophobicContact CG2-CH2 4.28Å; V419-W443 HydrophobicContact CG2-CZ3 3.65Å; E434-W443 HydrophobicContact CB-CE3 3.62Å; E434-W443 HydrophobicContact CB-CZ3 4.24Å; M435-W443 CarbonylContact O-C 3.56Å; M435-W443 WeakPolarHBondContact O-CA 3.3Å; Y436-W443 AromaticContact CD2-CD1 3.85Å; Y436-W443 HydrophobicContact CD2-CD2 4.1Å; Y436-W443 AromaticContact CD2-CE2 3.72Å; Y436-W443 HydrophobicContact CD2-CG 4.21Å; Y436-W443 HydrophobicContact CD2-CZ2 4.22Å; Y436-W443 AromaticContact CD2-NE1 3.54Å; Y436-W443 HydrophobicContact CG-CD2 4.49Å; Y436-W443 HydrophobicContact CG-CZ2 4.27Å
444	I	93.3	Very high	87.5	Confident	64 Å²	64	50.3 Å²	50.3	33%	0.328	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.8	178.5	-59	170.5	0	0	0	109	M435 D437 I440	M435-I444 HydrophobicContact CE-CB 3.97Å; M435-I444 HydrophobicContact CE-CD1 3.67Å; M435-I444 HydrophobicContact CE-CG1 4.33Å; M435-I444 HydrophobicContact CE-CG2 4.36Å; M435-I444 PolarHBondContact N-O 2.86Å; M435-I444 PolarHBondContact O-N 3.29Å; D437-I444 HydrophobicContact CB-CD1 4.09Å; I440-I444 HydrophobicContact CD1-CD1 4.32Å
445	P	91.5	Very high	87.4	Confident	49 Å²	49	50.6 Å²	50.6	32%	0.318	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	138	173.7	-19.6	30.6	0	0	0	111.6	P447	P445-P447 WeakPolarHBondContact O-CD 3.44Å
446	V	89	Confident	87.3	Confident	16 Å²	16	49.9 Å²	49.9	10%	0.097	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	85.4	170.5	-170.4	0	0	0	0	107.7	Y418 G433 M435 E448 L449 F485	Y418-V446 HydrophobicContact CE1-CG2 4.42Å; G433-V446 PolarHBondContact N-O 3.46Å; G433-V446 PolarHBondContact O-N 3.47Å; M435-V446 HydrophobicContact CB-CG2 3.74Å; V446-E448 WeakPolarHBondContact CG1-OE2 3.49Å; V446-E448 PolarHBondContact O-N 3.36Å; V446-E448 VanDerWaalsContact O-N 3.17Å; V446-L449 HydrophobicContact CB-CB 4.34Å; V446-L449 HydrophobicContact CB-CD1 3.88Å; V446-L449 HydrophobicContact CB-CG 4.19Å; V446-L449 HydrophobicContact CG1-CB 4.23Å; V446-L449 HydrophobicContact CG1-CD1 3.7Å; V446-L449 HydrophobicContact CG1-CG 3.7Å; V446-L449 HydrophobicContact CG2-CD1 4.39Å; V446-L449 WeakPolarHBondContact O-CB 3.48Å; V446-L449 PolarHBondContact O-N 3.45Å; V446-F485 HydrophobicContact CG1-CZ 4.28Å
447	P	79.6	Confident	87.2	Confident	71 Å²	71	49.6 Å²	49.6	46%	0.461	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-58	-28.3	-177.5	-24.8	34.6	0	0	0	113.4	P445 L449 R450	P445-P447 WeakPolarHBondContact O-CD 3.44Å; P447-L449 PolarHBondContact O-N 2.88Å; P447-R450 WeakPolarHBondContact O-CB 3.41Å; P447-R450 PolarHBondContact O-N 3.16Å
448	E	81.1	Confident	87.5	Confident	62 Å²	62	48.6 Å²	48.6	29%	0.29	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-64.3	-23.7	177.3	-55.7	89.4	162.8	0	0	111.3	V446 R450 F485 K490 W492	V446-E448 WeakPolarHBondContact CG1-OE2 3.49Å; V446-E448 PolarHBondContact O-N 3.36Å; V446-E448 VanDerWaalsContact O-N 3.17Å; E448-R450 PolarHBondContact O-N 3.25Å; E448-F485 HydrophobicContact CB-CE2 3.77Å; E448-F485 HydrophobicContact CB-CZ 4.15Å; E448-K490 HydrophobicContact CG-CB 4.21Å; E448-K490 WeakPolarHBondContact OE1-CD 3.46Å; E448-K490 IonicContact OE1-NZ 3.37Å; E448-K490 PolarHBondContact OE1-NZ 3.47Å; E448-W492 PolarHBondContact O-NE1 3Å
449	L	76.9	Confident	87.8	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-84.3	19.2	176.1	-69.6	173.9	0	0	0	114.2	Y418 V420 V446 P447 T451 L465 F485 W492	Y418-L449 HydrophobicContact CD1-CD1 3.8Å; Y418-L449 HydrophobicContact CE1-CD1 4.34Å; V420-L449 HydrophobicContact CG2-CB 4.3Å; V420-L449 HydrophobicContact CG2-CD1 3.78Å; V420-L449 HydrophobicContact CG2-CD2 4.13Å; V420-L449 HydrophobicContact CG2-CG 4.3Å; V446-L449 HydrophobicContact CB-CB 4.34Å; V446-L449 HydrophobicContact CB-CD1 3.88Å; V446-L449 HydrophobicContact CB-CG 4.19Å; V446-L449 HydrophobicContact CG1-CB 4.23Å; V446-L449 HydrophobicContact CG1-CD1 3.7Å; V446-L449 HydrophobicContact CG1-CG 3.7Å; V446-L449 HydrophobicContact CG2-CD1 4.39Å; V446-L449 WeakPolarHBondContact O-CB 3.48Å; V446-L449 PolarHBondContact O-N 3.45Å; P447-L449 PolarHBondContact O-N 2.88Å; L449-T451 PolarHBondContact O-N 3.21Å; L449-T451 VanDerWaalsContact O-N 3.17Å; L449-L465 HydrophobicContact CD1-CD2 4.33Å; L449-L465 HydrophobicContact CD2-CD2 4.15Å; L449-F485 HydrophobicContact CD1-CD1 4.47Å; L449-F485 HydrophobicContact CD1-CE1 4.31Å; L449-F485 HydrophobicContact CD2-CB 3.87Å; L449-F485 HydrophobicContact CD2-CD1 3.47Å; L449-F485 VanDerWaalsContact CD2-CD1 3.47Å; L449-F485 HydrophobicContact CD2-CD2 3.93Å; L449-F485 HydrophobicContact CD2-CE1 3.88Å; L449-F485 HydrophobicContact CD2-CE2 4.32Å; L449-F485 HydrophobicContact CD2-CG 3.47Å; L449-F485 VanDerWaalsContact CD2-CG 3.47Å; L449-F485 HydrophobicContact CD2-CZ 4.29Å; L449-F485 HydrophobicContact CG-CD1 4.17Å; L449-F485 HydrophobicContact CG-CE1 4.07Å; L449-F485 HydrophobicContact CG-CG 4.45Å; L449-F485 HydrophobicContact CG-CZ 4.3Å; L449-W492 HydrophobicContact CD2-CH2 4.03Å; L449-W492 HydrophobicContact CD2-CZ2 3.56Å
450	R	71.4	Confident	88	Confident	161 Å²	161	41.4 Å²	41.4	61%	0.608	22%	0.217	S	C	*	.			trans	-64.7	116.3	179.3	-178.2	179.1	-67.6	-149.3	-4.1	110.9	S431 P447 E448	S431-R450 PolarHBondContact O-NE 3.21Å; S431-R450 PolarHBondContact O-NH2 2.88Å; P447-R450 WeakPolarHBondContact O-CB 3.41Å; P447-R450 PolarHBondContact O-N 3.16Å; E448-R450 PolarHBondContact O-N 3.25Å
451	T	73.4	Confident	88.3	Confident	27 Å²	27	36.9 Å²	36.9	17%	0.166	19%	0.194	C	C	.	.			trans	-149.4	141.4	169.5	-172.5	0	0	0	0	109.4	V420 L449 R453	V420-T451 HydrophobicContact CG1-CG2 3.77Å; L449-T451 PolarHBondContact O-N 3.21Å; L449-T451 VanDerWaalsContact O-N 3.17Å; T451-R453 HydrophobicContact CG2-CB 4.14Å; T451-R453 PolarHBondContact O-N 3.4Å; T451-R453 VanDerWaalsContact OG1-CB 3.3Å; T451-R453 WeakPolarHBondContact OG1-CB 3.5Å; T451-R453 PolarHBondContact OG1-N 3.32Å
452	N	72.9	Confident	88.3	Confident	75 Å²	75	38.8 Å²	38.8	40%	0.401	20%	0.204	S	C	.	.			trans	-86.7	11	170.6	66.2	-19	0	0	0	111.9	D429 C454 P473	D429-N452 HydrophobicContact CB-CB 4.31Å; N452-C454 PolarHBondContact O-N 3.14Å; N452-P473 HydrophobicContact CB-CG 4.15Å; N452-P473 WeakPolarHBondContact O-CD 3.38Å; N452-P473 WeakPolarHBondContact O-CG 3.26Å
453	R	83.6	Confident	88.4	Confident	22 Å²	22	36.6 Å²	36.6	8%	0.083	20%	0.201	C	C	.	.			trans	-73.9	126.5	-177	-165.9	-173.5	-76.7	-169.4	19.1	110.9	G421 G422 T451 A456 I467 G469 S471 L479 N481 D483	G421-R453 CarbonylContact C-O 3.56Å; G421-R453 WeakPolarHBondContact CA-O 3.32Å; G422-R453 PolarHBondContact N-O 2.87Å; T451-R453 HydrophobicContact CG2-CB 4.14Å; T451-R453 PolarHBondContact O-N 3.4Å; T451-R453 VanDerWaalsContact OG1-CB 3.3Å; T451-R453 WeakPolarHBondContact OG1-CB 3.5Å; T451-R453 PolarHBondContact OG1-N 3.32Å; R453-A456 VanDerWaalsContact CD-CB 3.44Å; R453-A456 HydrophobicContact CG-CB 3.86Å; R453-I467 PolarHBondContact NH1-O 3.25Å; R453-G469 WeakPolarHBondContact CD-O 3.3Å; R453-G469 PolarHBondContact NE-O 2.65Å; R453-G469 PolarHBondContact NH1-O 2.8Å; R453-S471 WeakPolarHBondContact CA-O 3.42Å; R453-L479 HydrophobicContact CG-CD1 4.33Å; R453-N481 PolarHBondContact NH1-O 3.26Å; R453-N481 VanDerWaalsContact NH1-O 3.13Å; R453-D483 IonicContact CZ-OD2 2.68Å; R453-D483 IonicContact NH1-OD2 3.67Å; R453-D483 IonicContact NH2-OD2 3.11Å; R453-D483 PolarHBondContact NH2-OD2 3.28Å
454	C	85.6	Confident	88.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-105.3	154.8	173.8	-69.8	0	0	0	0	110.9	G422 N452 A456 G470 S471	G422-C454 PolarHBondContact O-SG 2.6Å; N452-C454 PolarHBondContact O-N 3.14Å; C454-A456 PolarHBondContact O-N 2.89Å; C454-G470 CarbonylContact O-C 3.57Å; C454-G470 WeakPolarHBondContact O-CA 3.45Å; C454-S471 PolarHBondContact N-O 3.29Å; C454-S471 PolarHBondContact O-N 2.88Å
455	N	90.3	Very high	88.7	Confident	12 Å²	12	36.5 Å²	36.5	6%	0.064	20%	0.198	C	C	.	.	S	Bend	trans	52	29.1	177.4	-42.2	-83.4	0	0	0	114	R407 H503 Q504	R407-N455 WeakPolarHBondContact CB-OD1 3.49Å; R407-N455 PolarHBondContact NE-ND2 3.21Å; R407-N455 PolarHBondContact NE-OD1 3.46Å; R407-N455 PolarHBondContact NH2-ND2 2.79Å; R407-N455 WeakPolarHBondContact O-CA 3.41Å; R407-N455 PolarHBondContact O-N 3.19Å; N455-H503 HydrophobicContact CB-CB 4.27Å; N455-Q504 HydrophobicContact CB-CB 4.39Å; N455-Q504 HydrophobicContact CB-CG 3.53Å; N455-Q504 PolarHBondContact O-N 2.85Å; N455-Q504 WeakPolarHBondContact OD1-CG 3.33Å; N455-Q504 PolarHBondContact OD1-NE2 3Å
456	A	93.6	Very high	89	Confident	7 Å²	7	34.9 Å²	34.9	6%	0.058	19%	0.186	C	C	.	.			trans	-76.6	148.3	173.3	0	0	0	0	0	110.1	R453 C454 I467	R453-A456 VanDerWaalsContact CD-CB 3.44Å; R453-A456 HydrophobicContact CG-CB 3.86Å; C454-A456 PolarHBondContact O-N 2.89Å; A456-I467 HydrophobicContact CB-CG2 3.91Å
457	G	96	Very high	89.3	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132	164.4	0	0	0	0	0	109.8	I467 V468	G457-I467 CarbonylContact O-C 3.53Å; G457-I467 WeakPolarHBondContact O-CA 3.39Å; G457-V468 PolarHBondContact N-O 3Å; G457-V468 PolarHBondContact O-N 3.45Å
458	V	96.7	Very high	90.1	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.03	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.6	173.3	-174.6	0	0	0	0	109.2	Q409 A411 V420 L465 Y466 V507	Q409-V458 HydrophobicContact CB-CB 3.98Å; Q409-V458 HydrophobicContact CB-CG2 4.16Å; A411-V458 HydrophobicContact CB-CG1 3.99Å; V420-V458 HydrophobicContact CB-CG2 4.29Å; V458-L465 HydrophobicContact CG1-CD1 3.69Å; V458-L465 HydrophobicContact CG1-CD2 4.15Å; V458-L465 HydrophobicContact CG1-CG 3.95Å; V458-Y466 WeakPolarHBondContact CA-O 3.13Å; V458-V507 WeakPolarHBondContact O-CG1 3.4Å
459	C	97.9	Very high	90.7	Very high	13 Å²	13	28 Å²	28	9%	0.088	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.9	-178.2	-153.2	0	0	0	0	112.2	Y466 V507 E509 L514	C459-Y466 PolarHBondContact N-O 2.87Å; C459-Y466 PolarHBondContact O-N 3.35Å; C459-V507 HydrophobicContact CB-CG1 3.84Å; C459-V507 HydrophobicContact CB-CG2 4.01Å; C459-E509 PolarHBondContact SG-N 3.46Å; C459-E509 VanDerWaalsContact SG-N 3.38Å; C459-L514 HydrophobicContact CB-CD2 3.82Å
460	A	98.1	Very high	91.4	Very high	23 Å²	23	28 Å²	28	19%	0.19	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.4	171.7	0	0	0	0	0	110.5	V412 L413 K464 E509	V412-A460 WeakPolarHBondContact O-CB 3.47Å; L413-A460 HydrophobicContact CB-CB 4.2Å; L413-A460 HydrophobicContact CD1-CB 3.73Å; A460-K464 WeakPolarHBondContact CA-O 3.45Å; A460-E509 WeakPolarHBondContact O-CB 3.36Å
461	L	97.9	Very high	92.1	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.037	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	134.5	171.1	170.9	63.8	0	0	0	108.8	G463 K464 Y466 E509 L514 P534	L461-G463 VanDerWaalsContact C-N 3.25Å; L461-G463 PolarHBondContact O-N 3.47Å; L461-G463 VanDerWaalsContact O-N 3.17Å; L461-K464 PolarHBondContact N-O 3.38Å; L461-K464 PolarHBondContact O-N 2.98Å; L461-Y466 HydrophobicContact CB-CD2 4.03Å; L461-Y466 HydrophobicContact CB-CE2 3.83Å; L461-Y466 HydrophobicContact CD2-CE2 4.28Å; L461-Y466 HydrophobicContact CG-CE2 4.29Å; L461-E509 HydrophobicContact CB-CG 4.29Å; L461-E509 HydrophobicContact CD1-CG 3.74Å; L461-L514 HydrophobicContact CB-CD2 3.88Å; L461-L514 HydrophobicContact CB-CG 4.35Å; L461-L514 HydrophobicContact CD2-CD1 4.35Å; L461-L514 HydrophobicContact CD2-CD2 4.11Å; L461-L514 HydrophobicContact CD2-CG 3.76Å; L461-P534 HydrophobicContact CD2-CB 4.27Å; L461-P534 HydrophobicContact CD2-CG 4.02Å
462	D	95.9	Very high	92.2	Very high	113 Å²	113	22 Å²	22	60%	0.604	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	41.9	177.4	-60.8	-31.6	0	0	0	114.3	K464	D462-K464 PolarHBondContact O-N 3.1Å
463	G	96.3	Very high	91.7	Very high	36 Å²	36	20.1 Å²	20.1	37%	0.371	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	10.9	179.3	0	0	0	0	0	114.6	L461 P487	L461-G463 VanDerWaalsContact C-N 3.25Å; L461-G463 PolarHBondContact O-N 3.47Å; L461-G463 VanDerWaalsContact O-N 3.17Å; G463-P487 WeakPolarHBondContact O-CD 3.45Å; G463-P487 WeakPolarHBondContact O-CG 3.31Å
464	K	97.1	Very high	90.7	Very high	66 Å²	66	26.8 Å²	26.8	29%	0.287	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	158.9	179.7	-59.7	174.1	-168.1	-76.1	0	111.2	A460 L461 D462 Y466 V484 D486	A460-K464 WeakPolarHBondContact CA-O 3.45Å; L461-K464 PolarHBondContact N-O 3.38Å; L461-K464 PolarHBondContact O-N 2.98Å; D462-K464 PolarHBondContact O-N 3.1Å; K464-Y466 HydrophobicContact CB-CE2 4.17Å; K464-V484 HydrophobicContact CB-CG1 3.66Å; K464-V484 HydrophobicContact CD-CG1 3.8Å; K464-V484 HydrophobicContact CG-CG1 4.29Å; K464-D486 HydrophobicContact CG-CB 4.47Å; K464-D486 IonicContact NZ-OD2 3.25Å; K464-D486 PolarHBondContact NZ-OD2 3.02Å
465	L	97.3	Very high	89.4	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.7	178.1	-165.4	70.8	0	0	0	110.2	A411 L413 V420 L449 V458 I467 V484 F485	A411-L465 HydrophobicContact CB-CD1 3.62Å; L413-L465 HydrophobicContact CD2-CB 4.18Å; V420-L465 HydrophobicContact CG2-CD2 3.62Å; L449-L465 HydrophobicContact CD1-CD2 4.33Å; L449-L465 HydrophobicContact CD2-CD2 4.15Å; V458-L465 HydrophobicContact CG1-CD1 3.69Å; V458-L465 HydrophobicContact CG1-CD2 4.15Å; V458-L465 HydrophobicContact CG1-CG 3.95Å; L465-I467 HydrophobicContact CB-CD1 4.43Å; L465-I467 HydrophobicContact CD2-CD1 4.17Å; L465-I467 HydrophobicContact CG-CD1 4.03Å; L465-I467 WeakPolarHBondContact O-CD1 3.48Å; L465-V484 CarbonylContact O-C 3.46Å; L465-V484 WeakPolarHBondContact O-CA 3.35Å; L465-F485 HydrophobicContact CB-CB 4.3Å; L465-F485 HydrophobicContact CB-CD1 4.47Å; L465-F485 PolarHBondContact N-O 2.67Å; L465-F485 PolarHBondContact O-N 3.07Å
466	Y	97.3	Very high	87.9	Confident	15 Å²	15	31 Å²	31	6%	0.059	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.4	177.8	-75.4	-107.7	0	0	0	110.4	V458 C459 L461 K464 V484 L514 Y532	V458-Y466 WeakPolarHBondContact CA-O 3.13Å; C459-Y466 PolarHBondContact N-O 2.87Å; C459-Y466 PolarHBondContact O-N 3.35Å; L461-Y466 HydrophobicContact CB-CD2 4.03Å; L461-Y466 HydrophobicContact CB-CE2 3.83Å; L461-Y466 HydrophobicContact CD2-CE2 4.28Å; L461-Y466 HydrophobicContact CG-CE2 4.29Å; K464-Y466 HydrophobicContact CB-CE2 4.17Å; Y466-V484 HydrophobicContact CD1-CB 4.5Å; Y466-V484 HydrophobicContact CD1-CG1 4.48Å; Y466-V484 HydrophobicContact CD1-CG2 3.51Å; Y466-V484 HydrophobicContact CD2-CG1 4.13Å; Y466-V484 HydrophobicContact CE1-CB 4.34Å; Y466-V484 HydrophobicContact CE1-CG1 4.19Å; Y466-V484 HydrophobicContact CE1-CG2 3.25Å; Y466-V484 HydrophobicContact CE2-CG1 3.8Å; Y466-V484 HydrophobicContact CE2-CG2 4.4Å; Y466-V484 HydrophobicContact CG-CG1 4.43Å; Y466-V484 HydrophobicContact CG-CG2 4.17Å; Y466-L514 HydrophobicContact CD1-CD1 3.52Å; Y466-L514 HydrophobicContact CD2-CD1 3.98Å; Y466-L514 HydrophobicContact CE1-CD1 4.18Å; Y466-L514 HydrophobicContact CG-CD1 3.41Å; Y466-L514 VanDerWaalsContact CG-CD1 3.41Å; Y466-Y532 HydrophobicContact CD1-CE1 4.36Å; Y466-Y532 HydrophobicContact CE1-CD1 4.11Å; Y466-Y532 AromaticContact CE1-CE1 3.49Å; Y466-Y532 HydrophobicContact CE1-CE1 3.49Å; Y466-Y532 VanDerWaalsContact CE1-CE1 3.49Å
467	I	95.5	Very high	86.9	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	111.3	176.7	-60	70.7	0	0	0	108	V420 R453 A456 G457 L465 C482 D483 W492	V420-I467 HydrophobicContact CG1-CG1 4.07Å; R453-I467 PolarHBondContact NH1-O 3.25Å; A456-I467 HydrophobicContact CB-CG2 3.91Å; G457-I467 CarbonylContact O-C 3.53Å; G457-I467 WeakPolarHBondContact O-CA 3.39Å; L465-I467 HydrophobicContact CB-CD1 4.43Å; L465-I467 HydrophobicContact CD2-CD1 4.17Å; L465-I467 HydrophobicContact CG-CD1 4.03Å; L465-I467 WeakPolarHBondContact O-CD1 3.48Å; I467-C482 WeakPolarHBondContact O-CA 3.36Å; I467-D483 PolarHBondContact N-O 3.22Å; I467-D483 PolarHBondContact O-N 2.96Å; I467-W492 HydrophobicContact CB-CZ3 4.39Å; I467-W492 HydrophobicContact CD1-CH2 3.42Å; I467-W492 VanDerWaalsContact CD1-CH2 3.42Å; I467-W492 HydrophobicContact CD1-CZ3 3.48Å; I467-W492 VanDerWaalsContact CD1-CZ3 3.48Å; I467-W492 HydrophobicContact CG1-CH2 3.83Å; I467-W492 HydrophobicContact CG1-CZ3 4.07Å
468	V	96.4	Very high	86.1	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.1	-163.8	-172.7	0	0	0	0	110.9	G457 L498 I516 W539	G457-V468 PolarHBondContact N-O 3Å; G457-V468 PolarHBondContact O-N 3.45Å; V468-L498 HydrophobicContact CG1-CD1 4Å; V468-L498 HydrophobicContact CG1-CD2 3.85Å; V468-L498 HydrophobicContact CG1-CG 4.15Å; V468-I516 HydrophobicContact CB-CD1 4.01Å; V468-I516 HydrophobicContact CG1-CD1 3.34Å; V468-W539 HydrophobicContact CG1-CH2 3.77Å; V468-W539 HydrophobicContact CG1-CZ2 3.63Å; V468-W539 HydrophobicContact CG2-CH2 4.33Å; V468-W539 HydrophobicContact CG2-CZ2 4.13Å
469	G	94.4	Very high	85.8	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.01	20%	0.203	C	C	.	.	S	Bend	trans	67.7	-135.1	176.9	0	0	0	0	0	112.4	R453 N481 R502	R453-G469 WeakPolarHBondContact CD-O 3.3Å; R453-G469 PolarHBondContact NE-O 2.65Å; R453-G469 PolarHBondContact NH1-O 2.8Å; G469-N481 PolarHBondContact N-O 3.24Å; G469-R502 CarbonylContact C-O 3.49Å; G469-R502 WeakPolarHBondContact CA-O 3.2Å
470	G	91.1	Very high	85.6	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.01	22%	0.215	C	C	.	.			trans	90.7	-174	179.3	0	0	0	0	0	113.7	C454 G478 L479 R502	C454-G470 CarbonylContact O-C 3.57Å; C454-G470 WeakPolarHBondContact O-CA 3.45Å; G470-G478 CarbonylContact O-C 3.55Å; G470-L479 WeakPolarHBondContact O-CB 3.28Å; G470-L479 WeakPolarHBondContact O-CG 3.39Å; G470-L479 PolarHBondContact O-N 2.84Å; G470-R502 PolarHBondContact N-O 3.4Å
471	S	86	Confident	85.4	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.014	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-134.7	158.9	175.2	71.6	0	0	0	0	109.9	R453 C454 G475	R453-S471 WeakPolarHBondContact CA-O 3.42Å; C454-S471 PolarHBondContact N-O 3.29Å; C454-S471 PolarHBondContact O-N 2.88Å; S471-G475 WeakPolarHBondContact CB-O 2.95Å
472	D	75.4	Confident	85.2	Confident	60 Å²	60	44.5 Å²	44.5	32%	0.321	23%	0.225	S	C	.	.			trans	-63.3	159.6	157.5	61.2	-59.7	0	0	0	109.8	Y474 G475	D472-Y474 PolarHBondContact O-N 2.84Å; D472-G475 VanDerWaalsContact CG-N 3.33Å; D472-G475 PolarHBondContact O-N 2.86Å; D472-G475 VanDerWaalsContact OD1-CA 3.28Å; D472-G475 WeakPolarHBondContact OD1-CA 3.47Å; D472-G475 VanDerWaalsContact OD2-CA 3.32Å; D472-G475 WeakPolarHBondContact OD2-CA 3.1Å; D472-G475 PolarHBondContact OD2-N 2.99Å
473	P	62.6	Low	85.1	Confident	34 Å²	34	40.8 Å²	40.8	22%	0.221	21%	0.205	C	C	.	.	S	Bend	trans	-60.7	-29.5	-174.4	-21.6	31.8	0	0	0	113.5	N452	N452-P473 HydrophobicContact CB-CG 4.15Å; N452-P473 WeakPolarHBondContact O-CD 3.38Å; N452-P473 WeakPolarHBondContact O-CG 3.26Å
474	Y	62.7	Low	85.1	Confident	163 Å²	163	39.3 Å²	39.3	64%	0.639	19%	0.189	S	C	*	.	S	Bend	trans	-104.1	-20.1	-173	-51.2	-72.4	0	0	0	113.3	S427 D472	S427-Y474 PolarHBondContact O-OH 3.19Å; D472-Y474 PolarHBondContact O-N 2.84Å
475	G	58.4	Low	85	Confident	17 Å²	17	36.3 Å²	36.3	18%	0.175	18%	0.176	C	C	.	.			trans	-90.5	138	-178.3	0	0	0	0	0	113.4	S471 D472 K477	S471-G475 WeakPolarHBondContact CB-O 2.95Å; D472-G475 VanDerWaalsContact CG-N 3.33Å; D472-G475 PolarHBondContact O-N 2.86Å; D472-G475 VanDerWaalsContact OD1-CA 3.28Å; D472-G475 WeakPolarHBondContact OD1-CA 3.47Å; D472-G475 VanDerWaalsContact OD2-CA 3.32Å; D472-G475 WeakPolarHBondContact OD2-CA 3.1Å; D472-G475 PolarHBondContact OD2-N 2.99Å; G475-K477 VanDerWaalsContact C-N 3.26Å
476	Q	58.6	Low	84.8	Confident	83 Å²	83	37.6 Å²	37.6	39%	0.388	18%	0.183	S	C	.	.			trans	-85.9	-0.2	167.8	-60.6	-61.5	-26.6	0	0	112	G478 H503 S522 W523	Q476-G478 PolarHBondContact O-N 3.25Å; Q476-H503 PolarHBondContact O-NE2 3.49Å; Q476-S522 WeakPolarHBondContact O-CA 3.25Å; Q476-W523 HydrophobicContact CG-CH2 4.48Å; Q476-W523 HydrophobicContact CG-CZ2 4.1Å
477	K	74.2	Confident	84.6	Confident	131 Å²	131	38 Å²	38	57%	0.57	19%	0.187	S	C	*	.			trans	-87.2	111.6	-176.9	-169	175.8	-178.3	178.8	0	109.4	G475	G475-K477 VanDerWaalsContact C-N 3.26Å
478	G	79.3	Confident	84.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.			trans	-56	151.7	173.7	0	0	0	0	0	112.9	G470 Q476 R501	G470-G478 CarbonylContact O-C 3.55Å; Q476-G478 PolarHBondContact O-N 3.25Å; G478-R501 WeakPolarHBondContact O-CB 3.25Å; G478-R501 PolarHBondContact O-NH1 3.24Å
479	L	89.4	Confident	84.2	Confident	48 Å²	48	47.2 Å²	47.2	25%	0.251	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-100.2	157.6	177.4	-62.5	171.7	0	0	0	110.8	R453 G470 R501 R502	R453-L479 HydrophobicContact CG-CD1 4.33Å; G470-L479 WeakPolarHBondContact O-CB 3.28Å; G470-L479 WeakPolarHBondContact O-CG 3.39Å; G470-L479 PolarHBondContact O-N 2.84Å; L479-R501 WeakPolarHBondContact O-CA 3.45Å; L479-R502 PolarHBondContact O-N 3.49Å; L479-R502 VanDerWaalsContact O-N 3.1Å
480	K	94.3	Very high	84.1	Confident	80 Å²	80	52.5 Å²	52.5	35%	0.348	27%	0.266	S	S	.	.			trans	-102.4	-7.1	169.7	-68.2	-178.2	169.3	-156.7	0	112.5	C482 P497 L498 N499 R501	K480-C482 PolarHBondContact O-SG 3.4Å; K480-C482 VanDerWaalsContact O-SG 3.41Å; K480-P497 HydrophobicContact CB-CB 4.11Å; K480-P497 CarbonylContact O-C 3.52Å; K480-P497 VanDerWaalsContact O-CA 3.25Å; K480-P497 WeakPolarHBondContact O-CA 3.39Å; K480-P497 WeakPolarHBondContact O-CB 3.48Å; K480-L498 HydrophobicContact CB-CB 4.3Å; K480-L498 VanDerWaalsContact CD-O 3.29Å; K480-L498 WeakPolarHBondContact CD-O 3.44Å; K480-L498 HydrophobicContact CG-CB 4.48Å; K480-L498 PolarHBondContact O-N 3.38Å; K480-N499 WeakPolarHBondContact CE-O 3.38Å; K480-N499 PolarHBondContact NZ-O 3.31Å; K480-R501 HydrophobicContact CG-CB 3.91Å
481	N	92.7	Very high	84.1	Confident	80 Å²	80	57.8 Å²	57.8	43%	0.428	29%	0.293	S	S	.	.			trans	-63.3	136.8	-172.4	-64.2	74.2	0	0	0	111.1	R453 G469	R453-N481 PolarHBondContact NH1-O 3.26Å; R453-N481 VanDerWaalsContact NH1-O 3.13Å; G469-N481 PolarHBondContact N-O 3.24Å
482	C	94.3	Very high	84.5	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.007	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.7	174.5	-54.2	0	0	0	0	106.6	I467 K480 C495 A496	I467-C482 WeakPolarHBondContact O-CA 3.36Å; K480-C482 PolarHBondContact O-SG 3.4Å; K480-C482 VanDerWaalsContact O-SG 3.41Å; C482-C495 WeakPolarHBondContact CB-SG 3.39Å; C482-C495 PolarHBondContact O-N 2.81Å; C482-C495 PolarHBondContact O-SG 3.24Å; C482-C495 VanDerWaalsContact O-SG 3.38Å; C482-A496 WeakPolarHBondContact CB-O 3.23Å; C482-A496 PolarHBondContact SG-O 3.21Å; C482-A496 VanDerWaalsContact SG-O 3.4Å
483	D	93.6	Very high	85.3	Confident	34 Å²	34	63.1 Å²	63.1	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.1	-175.2	-56.6	-76.6	0	0	0	108.9	R453 I467 W492	R453-D483 IonicContact CZ-OD2 2.68Å; R453-D483 IonicContact NH1-OD2 3.67Å; R453-D483 IonicContact NH2-OD2 3.11Å; R453-D483 PolarHBondContact NH2-OD2 3.28Å; I467-D483 PolarHBondContact N-O 3.22Å; I467-D483 PolarHBondContact O-N 2.96Å; D483-W492 HydrophobicContact CB-CE3 3.7Å; D483-W492 HydrophobicContact CB-CZ3 3.64Å
484	V	95.8	Very high	86.7	Confident	5 Å²	5	66 Å²	66	3%	0.03	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.9	-175.4	-169.9	0	0	0	0	108.6	K464 L465 Y466 W492 T493 C495	K464-V484 HydrophobicContact CB-CG1 3.66Å; K464-V484 HydrophobicContact CD-CG1 3.8Å; K464-V484 HydrophobicContact CG-CG1 4.29Å; L465-V484 CarbonylContact O-C 3.46Å; L465-V484 WeakPolarHBondContact O-CA 3.35Å; Y466-V484 HydrophobicContact CD1-CB 4.5Å; Y466-V484 HydrophobicContact CD1-CG1 4.48Å; Y466-V484 HydrophobicContact CD1-CG2 3.51Å; Y466-V484 HydrophobicContact CD2-CG1 4.13Å; Y466-V484 HydrophobicContact CE1-CB 4.34Å; Y466-V484 HydrophobicContact CE1-CG1 4.19Å; Y466-V484 HydrophobicContact CE1-CG2 3.25Å; Y466-V484 HydrophobicContact CE2-CG1 3.8Å; Y466-V484 HydrophobicContact CE2-CG2 4.4Å; Y466-V484 HydrophobicContact CG-CG1 4.43Å; Y466-V484 HydrophobicContact CG-CG2 4.17Å; V484-W492 CarbonylContact O-C 3.47Å; V484-W492 WeakPolarHBondContact O-CA 3.38Å; V484-T493 PolarHBondContact N-O 3.16Å; V484-T493 PolarHBondContact O-N 3.4Å; V484-T493 PolarHBondContact O-OG1 3.08Å; V484-C495 HydrophobicContact CG2-CB 3.86Å
485	F	94.9	Very high	88.1	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.3	173.5	176.8	-104.9	0	0	0	110.1	V446 E448 L449 L465 P487 K490 W492	V446-F485 HydrophobicContact CG1-CZ 4.28Å; E448-F485 HydrophobicContact CB-CE2 3.77Å; E448-F485 HydrophobicContact CB-CZ 4.15Å; L449-F485 HydrophobicContact CD1-CD1 4.47Å; L449-F485 HydrophobicContact CD1-CE1 4.31Å; L449-F485 HydrophobicContact CD2-CB 3.87Å; L449-F485 HydrophobicContact CD2-CD1 3.47Å; L449-F485 VanDerWaalsContact CD2-CD1 3.47Å; L449-F485 HydrophobicContact CD2-CD2 3.93Å; L449-F485 HydrophobicContact CD2-CE1 3.88Å; L449-F485 HydrophobicContact CD2-CE2 4.32Å; L449-F485 HydrophobicContact CD2-CG 3.47Å; L449-F485 VanDerWaalsContact CD2-CG 3.47Å; L449-F485 HydrophobicContact CD2-CZ 4.29Å; L449-F485 HydrophobicContact CG-CD1 4.17Å; L449-F485 HydrophobicContact CG-CE1 4.07Å; L449-F485 HydrophobicContact CG-CG 4.45Å; L449-F485 HydrophobicContact CG-CZ 4.3Å; L465-F485 HydrophobicContact CB-CB 4.3Å; L465-F485 HydrophobicContact CB-CD1 4.47Å; L465-F485 PolarHBondContact N-O 2.67Å; L465-F485 PolarHBondContact O-N 3.07Å; F485-P487 HydrophobicContact CE1-CB 4.05Å; F485-K490 HydrophobicContact CE2-CB 4.47Å; F485-W492 HydrophobicContact CB-CD2 4.05Å; F485-W492 HydrophobicContact CB-CE3 3.98Å; F485-W492 HydrophobicContact CB-CH2 4.09Å; F485-W492 HydrophobicContact CB-CZ2 4.13Å; F485-W492 HydrophobicContact CB-CZ3 4.01Å; F485-W492 AromaticContact CD2-CD1 3.97Å; F485-W492 HydrophobicContact CD2-CD2 4.14Å; F485-W492 AromaticContact CD2-CE2 3.8Å; F485-W492 HydrophobicContact CD2-CG 4.3Å; F485-W492 HydrophobicContact CD2-CZ2 4.34Å; F485-W492 AromaticContact CD2-NE1 3.64Å; F485-W492 HydrophobicContact CG-CZ2 4.47Å
486	D	94.6	Very high	89.9	Confident	27 Å²	27	58.8 Å²	58.8	14%	0.144	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	113.7	172.3	-178.8	-50.8	0	0	0	109.2	K464 V488 T489 K490 L491	K464-D486 HydrophobicContact CG-CB 4.47Å; K464-D486 IonicContact NZ-OD2 3.25Å; K464-D486 PolarHBondContact NZ-OD2 3.02Å; D486-V488 VanDerWaalsContact C-N 3.27Å; D486-V488 PolarHBondContact O-N 2.87Å; D486-V488 WeakPolarHBondContact OD1-CA 3.31Å; D486-V488 WeakPolarHBondContact OD1-CB 3.46Å; D486-V488 PolarHBondContact OD1-N 3.16Å; D486-T489 WeakPolarHBondContact CB-OG1 3.36Å; D486-T489 VanDerWaalsContact CG-OG1 3.24Å; D486-T489 PolarHBondContact OD1-N 3.25Å; D486-T489 PolarHBondContact OD1-OG1 2.64Å; D486-K490 WeakPolarHBondContact O-CA 3.13Å; D486-K490 PolarHBondContact O-N 2.93Å; D486-L491 PolarHBondContact N-O 3.28Å
487	P	91.4	Very high	91.8	Very high	22 Å²	22	58.9 Å²	58.9	14%	0.143	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.9	-176.3	30.8	-38.5	0	0	0	113.9	L413 M414 G463 F485	L413-P487 HydrophobicContact CD2-CB 4.38Å; L413-P487 HydrophobicContact CD2-CG 3.75Å; M414-P487 HydrophobicContact CE-CB 4.08Å; M414-P487 HydrophobicContact CE-CG 3.3Å; G463-P487 WeakPolarHBondContact O-CD 3.45Å; G463-P487 WeakPolarHBondContact O-CG 3.31Å; F485-P487 HydrophobicContact CE1-CB 4.05Å
488	V	91.8	Very high	92.9	Very high	120 Å²	120	52.8 Å²	52.8	73%	0.727	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-48.6	180	179.6	0	0	0	0	110.1	D486	D486-V488 VanDerWaalsContact C-N 3.27Å; D486-V488 PolarHBondContact O-N 2.87Å; D486-V488 WeakPolarHBondContact OD1-CA 3.31Å; D486-V488 WeakPolarHBondContact OD1-CB 3.46Å; D486-V488 PolarHBondContact OD1-N 3.16Å
489	T	93.3	Very high	93.7	Very high	78 Å²	78	56.5 Å²	56.5	48%	0.479	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-17	179.8	63.3	0	0	0	0	113	D486 L491	D486-T489 WeakPolarHBondContact CB-OG1 3.36Å; D486-T489 VanDerWaalsContact CG-OG1 3.24Å; D486-T489 PolarHBondContact OD1-N 3.25Å; D486-T489 PolarHBondContact OD1-OG1 2.64Å; T489-L491 PolarHBondContact O-N 3.45Å; T489-L491 PolarHBondContact OG1-N 2.82Å
490	K	91.7	Very high	94	Very high	113 Å²	113	56 Å²	56	49%	0.491	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	26.6	-173.8	-54.7	177.5	152.8	-144.2	0	113.8	E448 F485 D486	E448-K490 HydrophobicContact CG-CB 4.21Å; E448-K490 WeakPolarHBondContact OE1-CD 3.46Å; E448-K490 IonicContact OE1-NZ 3.37Å; E448-K490 PolarHBondContact OE1-NZ 3.47Å; F485-K490 HydrophobicContact CE2-CB 4.47Å; D486-K490 WeakPolarHBondContact O-CA 3.13Å; D486-K490 PolarHBondContact O-N 2.93Å
491	L	91.8	Very high	93.9	Very high	111 Å²	111	55.3 Å²	55.3	58%	0.581	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.9	-177.9	-63.7	179	0	0	0	111.7	D486 T489	D486-L491 PolarHBondContact N-O 3.28Å; T489-L491 PolarHBondContact O-N 3.45Å; T489-L491 PolarHBondContact OG1-N 2.82Å
492	W	93.3	Very high	94	Very high	93 Å²	93	51.5 Å²	51.5	35%	0.352	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140	169.9	-73.1	90.6	0	0	0	110.9	E448 L449 I467 D483 V484 F485	E448-W492 PolarHBondContact O-NE1 3Å; L449-W492 HydrophobicContact CD2-CH2 4.03Å; L449-W492 HydrophobicContact CD2-CZ2 3.56Å; I467-W492 HydrophobicContact CB-CZ3 4.39Å; I467-W492 HydrophobicContact CD1-CH2 3.42Å; I467-W492 VanDerWaalsContact CD1-CH2 3.42Å; I467-W492 HydrophobicContact CD1-CZ3 3.48Å; I467-W492 VanDerWaalsContact CD1-CZ3 3.48Å; I467-W492 HydrophobicContact CG1-CH2 3.83Å; I467-W492 HydrophobicContact CG1-CZ3 4.07Å; D483-W492 HydrophobicContact CB-CE3 3.7Å; D483-W492 HydrophobicContact CB-CZ3 3.64Å; V484-W492 CarbonylContact O-C 3.47Å; V484-W492 WeakPolarHBondContact O-CA 3.38Å; F485-W492 HydrophobicContact CB-CD2 4.05Å; F485-W492 HydrophobicContact CB-CE3 3.98Å; F485-W492 HydrophobicContact CB-CH2 4.09Å; F485-W492 HydrophobicContact CB-CZ2 4.13Å; F485-W492 HydrophobicContact CB-CZ3 4.01Å; F485-W492 AromaticContact CD2-CD1 3.97Å; F485-W492 HydrophobicContact CD2-CD2 4.14Å; F485-W492 AromaticContact CD2-CE2 3.8Å; F485-W492 HydrophobicContact CD2-CG 4.3Å; F485-W492 HydrophobicContact CD2-CZ2 4.34Å; F485-W492 AromaticContact CD2-NE1 3.64Å; F485-W492 HydrophobicContact CG-CZ2 4.47Å
493	T	93.7	Very high	94	Very high	81 Å²	81	51.8 Å²	51.8	50%	0.497	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.5	171.3	53.8	0	0	0	0	109.3	V484	V484-T493 PolarHBondContact N-O 3.16Å; V484-T493 PolarHBondContact O-N 3.4Å; V484-T493 PolarHBondContact O-OG1 3.08Å
494	S	91.3	Very high	94.1	Very high	96 Å²	96	51.2 Å²	51.2	67%	0.671	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.6	175	-172.9	0	0	0	0	109.6
495	C	92.6	Very high	94.2	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	173.2	169	63.8	0	0	0	0	111	C482 V484 Y532 N537	C482-C495 WeakPolarHBondContact CB-SG 3.39Å; C482-C495 PolarHBondContact O-N 2.81Å; C482-C495 PolarHBondContact O-SG 3.24Å; C482-C495 VanDerWaalsContact O-SG 3.38Å; V484-C495 HydrophobicContact CG2-CB 3.86Å; C495-Y532 HydrophobicContact CB-CE2 4.46Å; C495-Y532 WeakPolarHBondContact CB-OH 3.39Å; C495-N537 WeakPolarHBondContact CB-OD1 3.28Å
496	A	95.8	Very high	94.4	Very high	18 Å²	18	51 Å²	51	15%	0.149	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-54.6	136.3	-175.2	0	0	0	0	0	111.3	C482 N537 W539	C482-A496 WeakPolarHBondContact CB-O 3.23Å; C482-A496 PolarHBondContact SG-O 3.21Å; C482-A496 VanDerWaalsContact SG-O 3.4Å; A496-N537 WeakPolarHBondContact CB-O 3.43Å; A496-N537 PolarHBondContact N-OD1 3.31Å; A496-W539 PolarHBondContact O-NE1 3.21Å
497	P	97.5	Very high	94.6	Very high	86 Å²	86	50.3 Å²	50.3	56%	0.558	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-71.1	155.6	179.7	31.1	-35.5	0	0	0	110.6	K480	K480-P497 HydrophobicContact CB-CB 4.11Å; K480-P497 CarbonylContact O-C 3.52Å; K480-P497 VanDerWaalsContact O-CA 3.25Å; K480-P497 WeakPolarHBondContact O-CA 3.39Å; K480-P497 WeakPolarHBondContact O-CB 3.48Å
498	L	98.2	Very high	94.9	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-61.4	151.3	172.5	-61.6	170.8	0	0	0	112.1	V468 K480 I500 R502 I516 W539	V468-L498 HydrophobicContact CG1-CD1 4Å; V468-L498 HydrophobicContact CG1-CD2 3.85Å; V468-L498 HydrophobicContact CG1-CG 4.15Å; K480-L498 HydrophobicContact CB-CB 4.3Å; K480-L498 VanDerWaalsContact CD-O 3.29Å; K480-L498 WeakPolarHBondContact CD-O 3.44Å; K480-L498 HydrophobicContact CG-CB 4.48Å; K480-L498 PolarHBondContact O-N 3.38Å; L498-I500 WeakPolarHBondContact CB-O 3.49Å; L498-R502 HydrophobicContact CD1-CG 3.39Å; L498-I516 HydrophobicContact CD1-CD1 4.18Å; L498-I516 HydrophobicContact CD2-CG2 3.74Å; L498-W539 HydrophobicContact CD2-CD2 3.52Å; L498-W539 HydrophobicContact CD2-CE3 3.77Å; L498-W539 HydrophobicContact CD2-CG 4.06Å; L498-W539 HydrophobicContact CD2-CH2 3.98Å; L498-W539 HydrophobicContact CD2-CZ2 3.75Å; L498-W539 HydrophobicContact CD2-CZ3 4.01Å
499	N	96.6	Very high	95.3	Very high	78 Å²	78	47.3 Å²	47.3	42%	0.417	25%	0.254	S	S	.	.	S	Bend	trans	-68.1	-42.8	171	-63.7	-75.3	0	0	0	110.5	K480 E530 W539	K480-N499 WeakPolarHBondContact CE-O 3.38Å; K480-N499 PolarHBondContact NZ-O 3.31Å; N499-E530 VanDerWaalsContact CB-OE2 3.26Å; N499-E530 WeakPolarHBondContact CB-OE2 3.49Å; N499-E530 PolarHBondContact N-OE1 3.1Å; N499-E530 PolarHBondContact N-OE2 2.94Å; N499-E530 PolarHBondContact ND2-OE2 2.8Å; N499-W539 PolarHBondContact ND2-O 2.92Å
500	I	94.7	Very high	95.5	Very high	38 Å²	38	45 Å²	45	20%	0.195	24%	0.239	C	C	.	.	S	Bend	trans	-115.1	132.6	-178.7	-55.9	171.6	0	0	0	109.5	L498 R502 L526 T528 E530 L541	L498-I500 WeakPolarHBondContact CB-O 3.49Å; I500-R502 PolarHBondContact O-NE 3.29Å; I500-L526 HydrophobicContact CG2-CD1 3.96Å; I500-T528 HydrophobicContact CD1-CG2 3.91Å; I500-T528 WeakPolarHBondContact CD1-OG1 3.47Å; I500-E530 PolarHBondContact N-OE1 3.35Å; I500-L541 HydrophobicContact CD1-CD2 3.95Å
501	R	92.8	Very high	95.8	Very high	65 Å²	65	42.5 Å²	42.5	25%	0.245	25%	0.245	C	C	.	.			trans	-67.2	140	175.9	66.3	174	70.3	-98.3	-1.7	110	G478 L479 K480 E521	G478-R501 WeakPolarHBondContact O-CB 3.25Å; G478-R501 PolarHBondContact O-NH1 3.24Å; L479-R501 WeakPolarHBondContact O-CA 3.45Å; K480-R501 HydrophobicContact CG-CB 3.91Å; R501-E521 WeakPolarHBondContact CD-OE1 3.19Å; R501-E521 HydrophobicContact CG-CB 4.2Å; R501-E521 HydrophobicContact CG-CG 3.63Å; R501-E521 WeakPolarHBondContact CG-OE1 3.34Å; R501-E521 IonicContact NE-OE1 3.39Å; R501-E521 PolarHBondContact NE-OE1 2.75Å
502	R	94.6	Very high	96.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-157.3	145.8	-175	55.9	-173.2	72	-154	-0.9	112.7	G469 G470 L479 L498 I500 S505 I516 A520 L526 T528 E530	G469-R502 CarbonylContact C-O 3.49Å; G469-R502 WeakPolarHBondContact CA-O 3.2Å; G470-R502 PolarHBondContact N-O 3.4Å; L479-R502 PolarHBondContact O-N 3.49Å; L479-R502 VanDerWaalsContact O-N 3.1Å; L498-R502 HydrophobicContact CD1-CG 3.39Å; I500-R502 PolarHBondContact O-NE 3.29Å; R502-S505 WeakPolarHBondContact CB-OG 3.49Å; R502-S505 WeakPolarHBondContact CD-OG 3.33Å; R502-I516 HydrophobicContact CG-CD1 3.98Å; R502-I516 PolarHBondContact NH1-O 3.22Å; R502-A520 WeakPolarHBondContact CA-O 3.41Å; R502-L526 HydrophobicContact CB-CD1 4.14Å; R502-T528 PolarHBondContact NH1-O 3.3Å; R502-E530 IonicContact CZ-OE1 2.64Å; R502-E530 IonicContact NE-OE1 2.87Å; R502-E530 VanDerWaalsContact NH2-CD 3.34Å; R502-E530 VanDerWaalsContact NH2-CG 3.34Å; R502-E530 IonicContact NH2-OE1 2.66Å; R502-E530 PolarHBondContact NH2-OE1 3.2Å
503	H	94.2	Very high	96.3	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.028	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-135.5	162.2	166.5	62.5	90.3	0	0	0	109.1	N455 Q476 S505 G519 A520	N455-H503 HydrophobicContact CB-CB 4.27Å; Q476-H503 PolarHBondContact O-NE2 3.49Å; H503-S505 PolarHBondContact O-N 3.41Å; H503-G519 CarbonylContact O-C 3.57Å; H503-G519 WeakPolarHBondContact O-CA 3.29Å; H503-A520 PolarHBondContact CD2-O 3.06Å; H503-A520 PolarHBondContact N-O 3.45Å; H503-A520 PolarHBondContact NE2-O 3.33Å; H503-A520 PolarHBondContact O-N 3.14Å
504	Q	96.2	Very high	96.6	Very high	23 Å²	23	33.3 Å²	33.3	11%	0.107	20%	0.203	C	C	.	.	S	Bend	trans	57	28.5	-175.5	-61.9	-175.2	-40.8	0	0	113.4	N455 R550 G551 N598	N455-Q504 HydrophobicContact CB-CB 4.39Å; N455-Q504 HydrophobicContact CB-CG 3.53Å; N455-Q504 PolarHBondContact O-N 2.85Å; N455-Q504 WeakPolarHBondContact OD1-CG 3.33Å; N455-Q504 PolarHBondContact OD1-NE2 3Å; Q504-R550 HydrophobicContact CB-CB 4.33Å; Q504-G551 PolarHBondContact O-N 2.93Å; Q504-N598 PolarHBondContact NE2-ND2 3.34Å
505	S	98.3	Very high	96.9	Very high	3 Å²	3	29 Å²	29	2%	0.021	17%	0.172	C	C	.	.			trans	-80	147	172.7	-55.4	0	0	0	0	110.3	Q409 R502 H503 I516 I517 G518 G519	Q409-S505 PolarHBondContact NE2-O 3.2Å; R502-S505 WeakPolarHBondContact CB-OG 3.49Å; R502-S505 WeakPolarHBondContact CD-OG 3.33Å; H503-S505 PolarHBondContact O-N 3.41Å; S505-I516 VanDerWaalsContact CB-CG1 3.44Å; S505-I517 WeakPolarHBondContact CA-O 3.4Å; S505-I517 WeakPolarHBondContact CB-O 3.38Å; S505-G518 PolarHBondContact OG-O 2.89Å; S505-G519 WeakPolarHBondContact OG-CA 3.36Å
506	A	98.6	Very high	97.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	142.3	164.9	0	0	0	0	0	108.8	I516 I517 V554	A506-I516 WeakPolarHBondContact O-CA 3.11Å; A506-I517 HydrophobicContact CB-CB 4.33Å; A506-I517 PolarHBondContact N-O 3.37Å; A506-I517 PolarHBondContact O-N 3.34Å; A506-V554 HydrophobicContact CB-CB 3.82Å; A506-V554 HydrophobicContact CB-CG1 3.71Å
507	V	98.4	Very high	97.4	Very high	12 Å²	12	27.9 Å²	27.9	7%	0.073	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.4	175.6	78.4	0	0	0	0	110	V458 C459 Y515 V554	V458-V507 WeakPolarHBondContact O-CG1 3.4Å; C459-V507 HydrophobicContact CB-CG1 3.84Å; C459-V507 HydrophobicContact CB-CG2 4.01Å; V507-Y515 VanDerWaalsContact CA-O 3.25Å; V507-Y515 WeakPolarHBondContact CA-O 3.38Å; V507-Y515 WeakPolarHBondContact CG2-O 3.37Å; V507-V554 VanDerWaalsContact O-CG1 3.31Å; V507-V554 WeakPolarHBondContact O-CG1 3.3Å
508	C	98.6	Very high	97.4	Very high	10 Å²	10	23.8 Å²	23.8	7%	0.068	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	163.5	173.6	54.4	0	0	0	0	110.9	L514 Y515 V554 V556	C508-L514 WeakPolarHBondContact O-CA 3.32Å; C508-Y515 PolarHBondContact N-O 3.18Å; C508-Y515 VanDerWaalsContact N-O 3.12Å; C508-Y515 PolarHBondContact O-N 3.01Å; C508-V554 HydrophobicContact CB-CG1 3.78Å; C508-V554 HydrophobicContact CB-CG2 4.38Å; C508-V556 HydrophobicContact CB-CG2 3.89Å
509	E	98.5	Very high	97.4	Very high	70 Å²	70	23.7 Å²	23.7	33%	0.327	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.2	170.2	-174	-77.1	133.7	0	0	108.8	C459 A460 L461 G511 G512 Y513 L514	C459-E509 PolarHBondContact SG-N 3.46Å; C459-E509 VanDerWaalsContact SG-N 3.38Å; A460-E509 WeakPolarHBondContact O-CB 3.36Å; L461-E509 HydrophobicContact CB-CG 4.29Å; L461-E509 HydrophobicContact CD1-CG 3.74Å; E509-G511 PolarHBondContact OE1-N 3.32Å; E509-G512 PolarHBondContact OE1-N 2.7Å; E509-Y513 WeakPolarHBondContact CA-O 3.25Å; E509-L514 HydrophobicContact CB-CD2 3.96Å; E509-L514 HydrophobicContact CG-CD2 4.31Å
510	L	98.5	Very high	97.3	Very high	28 Å²	28	20 Å²	20	15%	0.147	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	123.5	167.3	174.1	61.7	0	0	0	110.5	G512 Y513 Y515 V556 G559 L561 P581	L510-G512 VanDerWaalsContact C-N 3.33Å; L510-G512 PolarHBondContact O-N 3.28Å; L510-Y513 PolarHBondContact N-O 3.34Å; L510-Y513 PolarHBondContact O-N 3.12Å; L510-Y515 HydrophobicContact CB-CD2 4.37Å; L510-Y515 HydrophobicContact CB-CE2 3.99Å; L510-V556 HydrophobicContact CB-CG1 4.47Å; L510-V556 HydrophobicContact CD1-CG1 3.85Å; L510-V556 HydrophobicContact CG-CG1 4.5Å; L510-G559 WeakPolarHBondContact CD2-O 3.42Å; L510-L561 HydrophobicContact CB-CD2 3.86Å; L510-L561 HydrophobicContact CD2-CD2 3.49Å; L510-L561 VanDerWaalsContact CD2-CD2 3.49Å; L510-L561 HydrophobicContact CD2-CG 4.17Å; L510-L561 HydrophobicContact CG-CD2 4.32Å; L510-P581 HydrophobicContact CD2-CG 3.61Å
511	G	97.4	Very high	97	Very high	61 Å²	61	21.8 Å²	21.8	63%	0.629	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	30.9	172.1	0	0	0	0	0	113.8	E509 Y513	E509-G511 PolarHBondContact OE1-N 3.32Å; G511-Y513 WeakPolarHBondContact O-CD2 3.25Å; G511-Y513 WeakPolarHBondContact O-CE2 3.29Å
512	G	97.9	Very high	96.6	Very high	27 Å²	27	21.2 Å²	21.2	28%	0.278	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	10.7	-178.4	0	0	0	0	0	114.2	E509 L510 P534	E509-G512 PolarHBondContact OE1-N 2.7Å; L510-G512 VanDerWaalsContact C-N 3.33Å; L510-G512 PolarHBondContact O-N 3.28Å; G512-P534 VanDerWaalsContact O-CD 3.32Å; G512-P534 WeakPolarHBondContact O-CD 3.41Å
513	Y	98.6	Very high	95.9	Very high	66 Å²	66	29.9 Å²	29.9	26%	0.259	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.7	178.4	-61.2	-92.3	0	0	0	110.5	E509 L510 G511 R531 Y532 N533	E509-Y513 WeakPolarHBondContact CA-O 3.25Å; L510-Y513 PolarHBondContact N-O 3.34Å; L510-Y513 PolarHBondContact O-N 3.12Å; G511-Y513 WeakPolarHBondContact O-CD2 3.25Å; G511-Y513 WeakPolarHBondContact O-CE2 3.29Å; Y513-R531 HydrophobicContact CD1-CG 3.91Å; Y513-R531 HydrophobicContact CG-CG 4.06Å; Y513-Y532 WeakPolarHBondContact CA-O 3.22Å; Y513-Y532 WeakPolarHBondContact CD1-O 3.33Å; Y513-N533 HydrophobicContact CD1-CB 4.02Å; Y513-N533 HydrophobicContact CE1-CB 3.8Å
514	L	98.8	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	141.2	164.9	-58.6	176.7	0	0	0	110.3	C459 L461 Y466 C508 E509 R531 Y532 W539	C459-L514 HydrophobicContact CB-CD2 3.82Å; L461-L514 HydrophobicContact CB-CD2 3.88Å; L461-L514 HydrophobicContact CB-CG 4.35Å; L461-L514 HydrophobicContact CD2-CD1 4.35Å; L461-L514 HydrophobicContact CD2-CD2 4.11Å; L461-L514 HydrophobicContact CD2-CG 3.76Å; Y466-L514 HydrophobicContact CD1-CD1 3.52Å; Y466-L514 HydrophobicContact CD2-CD1 3.98Å; Y466-L514 HydrophobicContact CE1-CD1 4.18Å; Y466-L514 HydrophobicContact CG-CD1 3.41Å; Y466-L514 VanDerWaalsContact CG-CD1 3.41Å; C508-L514 WeakPolarHBondContact O-CA 3.32Å; E509-L514 HydrophobicContact CB-CD2 3.96Å; E509-L514 HydrophobicContact CG-CD2 4.31Å; L514-R531 CarbonylContact O-C 3.58Å; L514-R531 VanDerWaalsContact O-CA 3.26Å; L514-R531 WeakPolarHBondContact O-CA 3.01Å; L514-Y532 HydrophobicContact CD1-CD1 4.26Å; L514-Y532 HydrophobicContact CG-CD1 4.48Å; L514-Y532 PolarHBondContact N-O 3.44Å; L514-Y532 PolarHBondContact O-N 2.91Å; L514-W539 HydrophobicContact CB-CH2 4.29Å
515	Y	98.9	Very high	95.3	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.6	172.5	-65.7	-100.1	0	0	0	108.3	V507 C508 L510 R531 I542 L561 Y579	V507-Y515 VanDerWaalsContact CA-O 3.25Å; V507-Y515 WeakPolarHBondContact CA-O 3.38Å; V507-Y515 WeakPolarHBondContact CG2-O 3.37Å; C508-Y515 PolarHBondContact N-O 3.18Å; C508-Y515 VanDerWaalsContact N-O 3.12Å; C508-Y515 PolarHBondContact O-N 3.01Å; L510-Y515 HydrophobicContact CB-CD2 4.37Å; L510-Y515 HydrophobicContact CB-CE2 3.99Å; Y515-R531 HydrophobicContact CD1-CB 4.21Å; Y515-R531 HydrophobicContact CD1-CG 4.14Å; Y515-R531 HydrophobicContact CE1-CB 4.13Å; Y515-R531 HydrophobicContact CE1-CG 3.79Å; Y515-R531 HydrophobicContact CE2-CG 4.3Å; Y515-R531 WeakPolarHBondContact OH-CD 3.24Å; Y515-I542 HydrophobicContact CD1-CD1 3.79Å; Y515-I542 HydrophobicContact CE1-CD1 3.82Å; Y515-L561 HydrophobicContact CD1-CD1 3.68Å; Y515-L561 HydrophobicContact CD2-CD1 4.03Å; Y515-L561 HydrophobicContact CE1-CD1 4.17Å; Y515-L561 HydrophobicContact CG-CD1 3.58Å; Y515-Y579 HydrophobicContact CD1-CE1 4.49Å; Y515-Y579 HydrophobicContact CE1-CD1 4.43Å; Y515-Y579 AromaticContact CE1-CE1 3.79Å; Y515-Y579 HydrophobicContact CE1-CE1 3.79Å
516	I	98.8	Very high	95.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.9	170.7	-170.8	162.4	0	0	0	109.8	V468 L498 R502 S505 A506 V529 E530 W539	V468-I516 HydrophobicContact CB-CD1 4.01Å; V468-I516 HydrophobicContact CG1-CD1 3.34Å; L498-I516 HydrophobicContact CD1-CD1 4.18Å; L498-I516 HydrophobicContact CD2-CG2 3.74Å; R502-I516 HydrophobicContact CG-CD1 3.98Å; R502-I516 PolarHBondContact NH1-O 3.22Å; S505-I516 VanDerWaalsContact CB-CG1 3.44Å; A506-I516 WeakPolarHBondContact O-CA 3.11Å; I516-V529 WeakPolarHBondContact O-CA 3.25Å; I516-E530 HydrophobicContact CG2-CB 3.82Å; I516-E530 PolarHBondContact N-O 3.46Å; I516-E530 PolarHBondContact O-N 3.06Å; I516-W539 HydrophobicContact CB-CH2 4.21Å; I516-W539 HydrophobicContact CB-CZ3 4.02Å; I516-W539 HydrophobicContact CG2-CE3 3.93Å; I516-W539 HydrophobicContact CG2-CH2 3.81Å; I516-W539 HydrophobicContact CG2-CZ3 3.3Å
517	I	98.9	Very high	95.2	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.9	-158.9	-58.7	157.4	0	0	0	109.4	S505 A506 V529 M545 V554 L561 V563 W586	S505-I517 WeakPolarHBondContact CA-O 3.4Å; S505-I517 WeakPolarHBondContact CB-O 3.38Å; A506-I517 HydrophobicContact CB-CB 4.33Å; A506-I517 PolarHBondContact N-O 3.37Å; A506-I517 PolarHBondContact O-N 3.34Å; I517-V529 HydrophobicContact CB-CG1 4.38Å; I517-V529 HydrophobicContact CB-CG2 4.44Å; I517-V529 HydrophobicContact CG1-CG1 3.68Å; I517-V529 HydrophobicContact CG1-CG2 4.48Å; I517-V529 HydrophobicContact CG2-CG2 3.97Å; I517-M545 HydrophobicContact CG2-CE 3.65Å; I517-M545 HydrophobicContact CG2-CG 4.26Å; I517-M545 HydrophobicContact CG2-SD 3.37Å; I517-M545 WeakPolarHBondContact CG2-SD 3.47Å; I517-V554 HydrophobicContact CD1-CB 4.31Å; I517-V554 HydrophobicContact CD1-CG2 3.81Å; I517-L561 HydrophobicContact CD1-CD1 4.22Å; I517-V563 HydrophobicContact CD1-CG2 3.99Å; I517-V563 HydrophobicContact CG2-CG1 4.36Å; I517-V563 HydrophobicContact CG2-CG2 3.8Å; I517-W586 HydrophobicContact CD1-CH2 4.47Å; I517-W586 HydrophobicContact CG2-CH2 4.1Å
518	G	98.5	Very high	95.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.			trans	56.9	-135.5	178.8	0	0	0	0	0	113.1	S505 L526 T528	S505-G518 PolarHBondContact OG-O 2.89Å; G518-L526 WeakPolarHBondContact CA-O 3.47Å; G518-T528 PolarHBondContact N-O 3.3Å; G518-T528 VanDerWaalsContact N-O 3.09Å
519	G	97.7	Very high	95.2	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	21%	0.211	C	C	.	.			trans	97.8	-159.3	-171.1	0	0	0	0	0	111.5	H503 S505 L526 R549	H503-G519 CarbonylContact O-C 3.57Å; H503-G519 WeakPolarHBondContact O-CA 3.29Å; S505-G519 WeakPolarHBondContact OG-CA 3.36Å; G519-L526 PolarHBondContact O-N 3.4Å; G519-R549 PolarHBondContact N-O 3.39Å
520	A	93.5	Very high	95.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.1	177.2	0	0	0	0	0	112.6	R502 H503 N524 R550	R502-A520 WeakPolarHBondContact CA-O 3.41Å; H503-A520 PolarHBondContact CD2-O 3.06Å; H503-A520 PolarHBondContact N-O 3.45Å; H503-A520 PolarHBondContact NE2-O 3.33Å; H503-A520 PolarHBondContact O-N 3.14Å; A520-N524 VanDerWaalsContact CA-O 3.24Å; A520-N524 WeakPolarHBondContact CA-O 3.32Å; A520-R550 HydrophobicContact CB-CB 3.95Å
521	E	89.5	Confident	95.2	Very high	75 Å²	75	37.4 Å²	37.4	35%	0.35	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	103.2	161.2	174.9	165.8	-140.7	0	0	108	R501 W523 N524 L526	R501-E521 WeakPolarHBondContact CD-OE1 3.19Å; R501-E521 HydrophobicContact CG-CB 4.2Å; R501-E521 HydrophobicContact CG-CG 3.63Å; R501-E521 WeakPolarHBondContact CG-OE1 3.34Å; R501-E521 IonicContact NE-OE1 3.39Å; R501-E521 PolarHBondContact NE-OE1 2.75Å; E521-W523 PolarHBondContact O-N 2.91Å; E521-W523 VanDerWaalsContact O-N 3.12Å; E521-N524 PolarHBondContact N-O 3.09Å; E521-N524 PolarHBondContact O-N 3.2Å; E521-L526 HydrophobicContact CB-CD1 4.31Å; E521-L526 HydrophobicContact CB-CD2 4.19Å
522	S	84.9	Confident	95.3	Very high	53 Å²	53	34.9 Å²	34.9	37%	0.371	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-113.5	-169.3	-167	0	0	0	0	110.3	Q476	Q476-S522 WeakPolarHBondContact O-CA 3.25Å
523	W	78.4	Confident	95.3	Very high	183 Å²	183	34.7 Å²	34.7	69%	0.693	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	-8.7	179.3	-60.9	107.7	0	0	0	113.1	Q476 E521 C525	Q476-W523 HydrophobicContact CG-CH2 4.48Å; Q476-W523 HydrophobicContact CG-CZ2 4.1Å; E521-W523 PolarHBondContact O-N 2.91Å; E521-W523 VanDerWaalsContact O-N 3.12Å; W523-C525 PolarHBondContact O-N 3.39Å
524	N	85.3	Confident	95.2	Very high	113 Å²	113	33 Å²	33	60%	0.604	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.8	-175.8	-63.9	-23.9	0	0	0	109.8	A520 E521	A520-N524 VanDerWaalsContact CA-O 3.24Å; A520-N524 WeakPolarHBondContact CA-O 3.32Å; E521-N524 PolarHBondContact N-O 3.09Å; E521-N524 PolarHBondContact O-N 3.2Å
525	C	92.6	Very high	95.1	Very high	20 Å²	20	41.4 Å²	41.4	14%	0.135	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	142	170.3	-59.9	0	0	0	0	109.7	W523 A548 F567 D568 G569	W523-C525 PolarHBondContact O-N 3.39Å; C525-A548 HydrophobicContact CB-CB 4.12Å; C525-F567 PolarHBondContact SG-O 3.26Å; C525-F567 VanDerWaalsContact SG-O 3.38Å; C525-D568 VanDerWaalsContact SG-C 3.54Å; C525-G569 PolarHBondContact SG-N 2.99Å; C525-G569 VanDerWaalsContact SG-N 3.44Å
526	L	96.8	Very high	95.1	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.099	22%	0.224	C	C	.	.			trans	-108.3	139.3	-176.7	-57.7	176.1	0	0	0	110	I500 R502 G518 G519 E521 R549	I500-L526 HydrophobicContact CG2-CD1 3.96Å; R502-L526 HydrophobicContact CB-CD1 4.14Å; G518-L526 WeakPolarHBondContact CA-O 3.47Å; G519-L526 PolarHBondContact O-N 3.4Å; E521-L526 HydrophobicContact CB-CD1 4.31Å; E521-L526 HydrophobicContact CB-CD2 4.19Å; L526-R549 PolarHBondContact O-N 3.14Å
527	N	98.3	Very high	95	Very high	56 Å²	56	48.8 Å²	48.8	30%	0.299	24%	0.242	S	C	.	.			trans	-102.1	-1.8	164.6	68.9	-25.1	0	0	0	112.3	P544 M545 A548	N527-P544 CarbonylContact O-C 3.49Å; N527-P544 WeakPolarHBondContact O-CA 3.44Å; N527-P544 WeakPolarHBondContact O-CB 3.42Å; N527-M545 HydrophobicContact CB-CB 4.07Å; N527-M545 WeakPolarHBondContact CB-O 3.34Å; N527-M545 PolarHBondContact ND2-O 2.88Å; N527-M545 PolarHBondContact O-N 2.83Å; N527-A548 HydrophobicContact CB-CB 3.98Å
528	T	98.6	Very high	95	Very high	32 Å²	32	51.1 Å²	51.1	20%	0.196	26%	0.256	C	S	.	.			trans	-73.8	145	-177.6	57.6	0	0	0	0	111.6	I500 R502 G518	I500-T528 HydrophobicContact CD1-CG2 3.91Å; I500-T528 WeakPolarHBondContact CD1-OG1 3.47Å; R502-T528 PolarHBondContact NH1-O 3.3Å; G518-T528 PolarHBondContact N-O 3.3Å; G518-T528 VanDerWaalsContact N-O 3.09Å
529	V	98.9	Very high	95	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.5	-178.2	-173.1	0	0	0	0	108.9	I516 I517 L541 I542 M545 W586	I516-V529 WeakPolarHBondContact O-CA 3.25Å; I517-V529 HydrophobicContact CB-CG1 4.38Å; I517-V529 HydrophobicContact CB-CG2 4.44Å; I517-V529 HydrophobicContact CG1-CG1 3.68Å; I517-V529 HydrophobicContact CG1-CG2 4.48Å; I517-V529 HydrophobicContact CG2-CG2 3.97Å; V529-L541 WeakPolarHBondContact O-CA 3.46Å; V529-I542 HydrophobicContact CB-CD1 4.2Å; V529-I542 HydrophobicContact CB-CG1 3.79Å; V529-I542 HydrophobicContact CG1-CD1 3.66Å; V529-I542 HydrophobicContact CG1-CG1 3.77Å; V529-I542 PolarHBondContact O-N 3.27Å; V529-M545 HydrophobicContact CG2-CG 4.08Å; V529-W586 HydrophobicContact CB-CZ2 4.48Å; V529-W586 HydrophobicContact CG1-CZ2 4.36Å; V529-W586 HydrophobicContact CG2-CZ2 3.74Å
530	E	98.8	Very high	95	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.8	177.4	-66.2	-177.9	-124.7	0	0	109.7	N499 I500 R502 I516 W539 T540 L541	N499-E530 VanDerWaalsContact CB-OE2 3.26Å; N499-E530 WeakPolarHBondContact CB-OE2 3.49Å; N499-E530 PolarHBondContact N-OE1 3.1Å; N499-E530 PolarHBondContact N-OE2 2.94Å; N499-E530 PolarHBondContact ND2-OE2 2.8Å; I500-E530 PolarHBondContact N-OE1 3.35Å; R502-E530 IonicContact CZ-OE1 2.64Å; R502-E530 IonicContact NE-OE1 2.87Å; R502-E530 VanDerWaalsContact NH2-CD 3.34Å; R502-E530 VanDerWaalsContact NH2-CG 3.34Å; R502-E530 IonicContact NH2-OE1 2.66Å; R502-E530 PolarHBondContact NH2-OE1 3.2Å; I516-E530 HydrophobicContact CG2-CB 3.82Å; I516-E530 PolarHBondContact N-O 3.46Å; I516-E530 PolarHBondContact O-N 3.06Å; E530-W539 HydrophobicContact CB-CE3 3.73Å; E530-W539 HydrophobicContact CB-CZ3 4.35Å; E530-T540 CarbonylContact C-O 3.48Å; E530-T540 WeakPolarHBondContact CA-O 3.11Å; E530-L541 HydrophobicContact CG-CD2 3.55Å; E530-L541 HydrophobicContact CG-CG 4.09Å
531	R	98.8	Very high	95.3	Very high	71 Å²	71	59.3 Å²	59.3	27%	0.268	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127	174.6	-173.7	-175.5	67.1	-173	-2.3	109.8	Y513 L514 Y515 W539 T540 I542	Y513-R531 HydrophobicContact CD1-CG 3.91Å; Y513-R531 HydrophobicContact CG-CG 4.06Å; L514-R531 CarbonylContact O-C 3.58Å; L514-R531 VanDerWaalsContact O-CA 3.26Å; L514-R531 WeakPolarHBondContact O-CA 3.01Å; Y515-R531 HydrophobicContact CD1-CB 4.21Å; Y515-R531 HydrophobicContact CD1-CG 4.14Å; Y515-R531 HydrophobicContact CE1-CB 4.13Å; Y515-R531 HydrophobicContact CE1-CG 3.79Å; Y515-R531 HydrophobicContact CE2-CG 4.3Å; Y515-R531 WeakPolarHBondContact OH-CD 3.24Å; R531-W539 WeakPolarHBondContact O-CA 3.11Å; R531-T540 PolarHBondContact N-O 2.71Å; R531-T540 PolarHBondContact O-N 3.27Å; R531-I542 HydrophobicContact CB-CG2 3.95Å
532	Y	98.8	Very high	95.7	Very high	7 Å²	7	56.8 Å²	56.8	3%	0.027	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.5	173.9	-176.9	-115.1	0	0	0	110.9	Y466 C495 Y513 L514 P534 N537 T538 W539	Y466-Y532 HydrophobicContact CD1-CE1 4.36Å; Y466-Y532 HydrophobicContact CE1-CD1 4.11Å; Y466-Y532 AromaticContact CE1-CE1 3.49Å; Y466-Y532 HydrophobicContact CE1-CE1 3.49Å; Y466-Y532 VanDerWaalsContact CE1-CE1 3.49Å; C495-Y532 HydrophobicContact CB-CE2 4.46Å; C495-Y532 WeakPolarHBondContact CB-OH 3.39Å; Y513-Y532 WeakPolarHBondContact CA-O 3.22Å; Y513-Y532 WeakPolarHBondContact CD1-O 3.33Å; L514-Y532 HydrophobicContact CD1-CD1 4.26Å; L514-Y532 HydrophobicContact CG-CD1 4.48Å; L514-Y532 PolarHBondContact N-O 3.44Å; L514-Y532 PolarHBondContact O-N 2.91Å; Y532-P534 HydrophobicContact CE1-CB 3.92Å; Y532-N537 WeakPolarHBondContact CE2-OD1 3.36Å; Y532-N537 PolarHBondContact OH-OD1 3.06Å; Y532-T538 WeakPolarHBondContact CA-O 3.45Å; Y532-T538 WeakPolarHBondContact CD2-O 3.34Å; Y532-W539 AromaticContact CD2-CD1 3.78Å; Y532-W539 AromaticContact CD2-CD2 3.92Å; Y532-W539 HydrophobicContact CD2-CD2 3.92Å; Y532-W539 AromaticContact CD2-CE2 3.59Å; Y532-W539 HydrophobicContact CD2-CG 4.05Å; Y532-W539 HydrophobicContact CD2-CZ2 4.13Å; Y532-W539 AromaticContact CD2-NE1 3.45Å; Y532-W539 HydrophobicContact CG-CD2 4.24Å; Y532-W539 AromaticContact CG-CE2 3.9Å; Y532-W539 HydrophobicContact CG-CH2 4.39Å; Y532-W539 HydrophobicContact CG-CZ2 4Å
533	N	98.2	Very high	96.3	Very high	24 Å²	24	55.2 Å²	55.2	13%	0.128	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.7	167.3	-178.4	-12.5	0	0	0	109.3	Y513 E535 N536 N537 T538	Y513-N533 HydrophobicContact CD1-CB 4.02Å; Y513-N533 HydrophobicContact CE1-CB 3.8Å; N533-E535 VanDerWaalsContact C-N 3.33Å; N533-E535 PolarHBondContact O-N 2.92Å; N533-E535 WeakPolarHBondContact OD1-CB 3.34Å; N533-E535 PolarHBondContact OD1-N 3.48Å; N533-N536 WeakPolarHBondContact CB-OD1 3.44Å; N533-N536 PolarHBondContact O-OD1 3.05Å; N533-N537 WeakPolarHBondContact O-CA 3.41Å; N533-N537 PolarHBondContact O-N 2.98Å; N533-T538 PolarHBondContact N-O 3.16Å; N533-T538 PolarHBondContact O-N 3.45Å
534	P	97	Very high	97.3	Very high	31 Å²	31	49.9 Å²	49.9	20%	0.201	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-28.6	178.7	30.5	-37.8	0	0	0	113.3	L461 G512 Y532 N536	L461-P534 HydrophobicContact CD2-CB 4.27Å; L461-P534 HydrophobicContact CD2-CG 4.02Å; G512-P534 VanDerWaalsContact O-CD 3.32Å; G512-P534 WeakPolarHBondContact O-CD 3.41Å; Y532-P534 HydrophobicContact CE1-CB 3.92Å; P534-N536 PolarHBondContact O-N 2.86Å
535	E	97	Very high	97.9	Very high	176 Å²	176	44.7 Å²	44.7	82%	0.822	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-37.4	-174.6	-61.8	-174.1	152.8	0	0	112.8	N533	N533-E535 VanDerWaalsContact C-N 3.33Å; N533-E535 PolarHBondContact O-N 2.92Å; N533-E535 WeakPolarHBondContact OD1-CB 3.34Å; N533-E535 PolarHBondContact OD1-N 3.48Å
536	N	97.3	Very high	98	Very high	91 Å²	91	48.4 Å²	48.4	49%	0.487	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	2.4	179.3	70.5	6	0	0	0	113	N533 P534 T538	N533-N536 WeakPolarHBondContact CB-OD1 3.44Å; N533-N536 PolarHBondContact O-OD1 3.05Å; P534-N536 PolarHBondContact O-N 2.86Å; N536-T538 VanDerWaalsContact CG-OG1 3.28Å; N536-T538 PolarHBondContact ND2-OG1 3.22Å; N536-T538 WeakPolarHBondContact O-CG2 3.46Å; N536-T538 WeakPolarHBondContact OD1-CB 3.41Å; N536-T538 PolarHBondContact OD1-N 2.67Å; N536-T538 PolarHBondContact OD1-OG1 3.39Å
537	N	97.5	Very high	97.8	Very high	70 Å²	70	49.3 Å²	49.3	37%	0.374	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	55.7	-178.8	-172.5	33.7	0	0	0	112.6	C495 A496 Y532 N533	C495-N537 WeakPolarHBondContact CB-OD1 3.28Å; A496-N537 WeakPolarHBondContact CB-O 3.43Å; A496-N537 PolarHBondContact N-OD1 3.31Å; Y532-N537 WeakPolarHBondContact CE2-OD1 3.36Å; Y532-N537 PolarHBondContact OH-OD1 3.06Å; N533-N537 WeakPolarHBondContact O-CA 3.41Å; N533-N537 PolarHBondContact O-N 2.98Å
538	T	98.1	Very high	97.6	Very high	51 Å²	51	48.1 Å²	48.1	31%	0.313	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.5	179.9	63.4	0	0	0	0	113.4	Y532 N533 N536	Y532-T538 WeakPolarHBondContact CA-O 3.45Å; Y532-T538 WeakPolarHBondContact CD2-O 3.34Å; N533-T538 PolarHBondContact N-O 3.16Å; N533-T538 PolarHBondContact O-N 3.45Å; N536-T538 VanDerWaalsContact CG-OG1 3.28Å; N536-T538 PolarHBondContact ND2-OG1 3.22Å; N536-T538 WeakPolarHBondContact O-CG2 3.46Å; N536-T538 WeakPolarHBondContact OD1-CB 3.41Å; N536-T538 PolarHBondContact OD1-N 2.67Å; N536-T538 PolarHBondContact OD1-OG1 3.39Å
539	W	98.7	Very high	97.5	Very high	16 Å²	16	46.7 Å²	46.7	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.6	166.7	-71.6	95.5	0	0	0	110.1	V468 A496 L498 N499 L514 I516 E530 R531 Y532	V468-W539 HydrophobicContact CG1-CH2 3.77Å; V468-W539 HydrophobicContact CG1-CZ2 3.63Å; V468-W539 HydrophobicContact CG2-CH2 4.33Å; V468-W539 HydrophobicContact CG2-CZ2 4.13Å; A496-W539 PolarHBondContact O-NE1 3.21Å; L498-W539 HydrophobicContact CD2-CD2 3.52Å; L498-W539 HydrophobicContact CD2-CE3 3.77Å; L498-W539 HydrophobicContact CD2-CG 4.06Å; L498-W539 HydrophobicContact CD2-CH2 3.98Å; L498-W539 HydrophobicContact CD2-CZ2 3.75Å; L498-W539 HydrophobicContact CD2-CZ3 4.01Å; N499-W539 PolarHBondContact ND2-O 2.92Å; L514-W539 HydrophobicContact CB-CH2 4.29Å; I516-W539 HydrophobicContact CB-CH2 4.21Å; I516-W539 HydrophobicContact CB-CZ3 4.02Å; I516-W539 HydrophobicContact CG2-CE3 3.93Å; I516-W539 HydrophobicContact CG2-CH2 3.81Å; I516-W539 HydrophobicContact CG2-CZ3 3.3Å; E530-W539 HydrophobicContact CB-CE3 3.73Å; E530-W539 HydrophobicContact CB-CZ3 4.35Å; R531-W539 WeakPolarHBondContact O-CA 3.11Å; Y532-W539 AromaticContact CD2-CD1 3.78Å; Y532-W539 AromaticContact CD2-CD2 3.92Å; Y532-W539 HydrophobicContact CD2-CD2 3.92Å; Y532-W539 AromaticContact CD2-CE2 3.59Å; Y532-W539 HydrophobicContact CD2-CG 4.05Å; Y532-W539 HydrophobicContact CD2-CZ2 4.13Å; Y532-W539 AromaticContact CD2-NE1 3.45Å; Y532-W539 HydrophobicContact CG-CD2 4.24Å; Y532-W539 AromaticContact CG-CE2 3.9Å; Y532-W539 HydrophobicContact CG-CH2 4.39Å; Y532-W539 HydrophobicContact CG-CZ2 4Å
540	T	98.6	Very high	97.5	Very high	66 Å²	66	49.3 Å²	49.3	41%	0.405	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129	179.2	-54.2	0	0	0	0	110	E530 R531 I542	E530-T540 CarbonylContact C-O 3.48Å; E530-T540 WeakPolarHBondContact CA-O 3.11Å; R531-T540 PolarHBondContact N-O 2.71Å; R531-T540 PolarHBondContact O-N 3.27Å; T540-I542 PolarHBondContact O-N 3.09Å
541	L	98.6	Very high	97.4	Very high	91 Å²	91	49.6 Å²	49.6	48%	0.476	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129	168.8	-77.1	164.8	0	0	0	109.7	I500 V529 E530	I500-L541 HydrophobicContact CD1-CD2 3.95Å; V529-L541 WeakPolarHBondContact O-CA 3.46Å; E530-L541 HydrophobicContact CG-CD2 3.55Å; E530-L541 HydrophobicContact CG-CG 4.09Å
542	I	98.6	Very high	97.4	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.118	26%	0.259	C	S	.	.			trans	-112.6	-172.1	176.3	62.7	168.8	0	0	0	110	Y515 V529 R531 T540 Y579	Y515-I542 HydrophobicContact CD1-CD1 3.79Å; Y515-I542 HydrophobicContact CE1-CD1 3.82Å; V529-I542 HydrophobicContact CB-CD1 4.2Å; V529-I542 HydrophobicContact CB-CG1 3.79Å; V529-I542 HydrophobicContact CG1-CD1 3.66Å; V529-I542 HydrophobicContact CG1-CG1 3.77Å; V529-I542 PolarHBondContact O-N 3.27Å; R531-I542 HydrophobicContact CB-CG2 3.95Å; T540-I542 PolarHBondContact O-N 3.09Å; I542-Y579 HydrophobicContact CD1-CE1 4.08Å; I542-Y579 HydrophobicContact CD1-CE2 4Å
543	A	97.8	Very high	97.4	Very high	20 Å²	20	47 Å²	47	17%	0.165	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-53.6	129.8	177.6	0	0	0	0	0	110.9	Y579 N584 W586	A543-Y579 HydrophobicContact CB-CE2 4.49Å; A543-N584 WeakPolarHBondContact CB-O 3.46Å; A543-N584 WeakPolarHBondContact CB-OD1 3.21Å; A543-N584 PolarHBondContact N-OD1 3.49Å; A543-N584 VanDerWaalsContact N-OD1 3.08Å; A543-W586 PolarHBondContact O-NE1 2.79Å
544	P	98.3	Very high	97.4	Very high	70 Å²	70	46.7 Å²	46.7	46%	0.455	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-75	154.6	177.8	32.3	-35.1	0	0	0	110.9	N527 W586	N527-P544 CarbonylContact O-C 3.49Å; N527-P544 WeakPolarHBondContact O-CA 3.44Å; N527-P544 WeakPolarHBondContact O-CB 3.42Å; P544-W586 VanDerWaalsContact C-CD1 3.48Å
545	M	98.6	Very high	97.5	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.02	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-61	158.3	168.7	-74.2	-173.7	-58.2	0	0	111.5	I517 N527 V529 V547 R549 V563 E577 W586	I517-M545 HydrophobicContact CG2-CE 3.65Å; I517-M545 HydrophobicContact CG2-CG 4.26Å; I517-M545 HydrophobicContact CG2-SD 3.37Å; I517-M545 WeakPolarHBondContact CG2-SD 3.47Å; N527-M545 HydrophobicContact CB-CB 4.07Å; N527-M545 WeakPolarHBondContact CB-O 3.34Å; N527-M545 PolarHBondContact ND2-O 2.88Å; N527-M545 PolarHBondContact O-N 2.83Å; V529-M545 HydrophobicContact CG2-CG 4.08Å; M545-V547 WeakPolarHBondContact CB-O 3.18Å; M545-R549 HydrophobicContact CE-CB 4.38Å; M545-R549 HydrophobicContact CE-CG 4.47Å; M545-V563 HydrophobicContact SD-CB 4.26Å; M545-V563 HydrophobicContact SD-CG1 3.82Å; M545-V563 HydrophobicContact SD-CG2 4.25Å; M545-E577 VanDerWaalsContact CA-OE2 3.28Å; M545-E577 WeakPolarHBondContact CA-OE2 3.17Å; M545-E577 WeakPolarHBondContact CB-OE2 3.31Å; M545-E577 HydrophobicContact CG-CG 4.5Å; M545-E577 WeakPolarHBondContact CG-OE2 3.47Å; M545-E577 HydrophobicContact SD-CG 4.43Å; M545-W586 HydrophobicContact CG-CD2 3.8Å; M545-W586 HydrophobicContact CG-CE3 3.87Å; M545-W586 HydrophobicContact CG-CH2 3.81Å; M545-W586 HydrophobicContact CG-CZ2 3.73Å; M545-W586 HydrophobicContact CG-CZ3 3.87Å; M545-W586 HydrophobicContact SD-CH2 4.23Å; M545-W586 HydrophobicContact SD-CZ3 4.28Å
546	N	95	Very high	97.5	Very high	98 Å²	98	39.2 Å²	39.2	52%	0.524	23%	0.228	S	C	.	.	S	Bend	trans	-70.1	-41.1	174.2	-63.9	-75.9	0	0	0	110.9	E577 M588	N546-E577 PolarHBondContact N-OE2 2.88Å; N546-M588 HydrophobicContact CB-SD 4.03Å
547	V	91.4	Very high	97.6	Very high	39 Å²	39	35.2 Å²	35.2	24%	0.236	21%	0.207	C	C	.	.	S	Bend	trans	-110.6	136.3	-179	-177.2	0	0	0	0	109.6	M545 R549 D568 I573 E577	M545-V547 WeakPolarHBondContact CB-O 3.18Å; V547-R549 HydrophobicContact CB-CG 4.33Å; V547-R549 HydrophobicContact CG1-CG 4.07Å; V547-R549 WeakPolarHBondContact O-CG 3.48Å; V547-D568 HydrophobicContact CG1-CB 4.24Å; V547-I573 HydrophobicContact CG1-CD1 3.88Å; V547-E577 PolarHBondContact N-OE1 3.14Å
548	A	95	Very high	97.5	Very high	31 Å²	31	36 Å²	36	26%	0.256	21%	0.211	S	C	.	.			trans	-76.8	133.1	171.7	0	0	0	0	0	110	C525 N527 D568	C525-A548 HydrophobicContact CB-CB 4.12Å; N527-A548 HydrophobicContact CB-CB 3.98Å; A548-D568 VanDerWaalsContact O-CA 3.27Å; A548-D568 WeakPolarHBondContact O-CA 3.35Å; A548-D568 WeakPolarHBondContact O-CB 3.35Å
549	R	97.2	Very high	97.5	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	22%	0.217	C	C	.	.			trans	-146.3	131.9	-169.4	-52.9	170.3	-177.1	-114.6	5.6	110.8	G519 L526 M545 V547 A552 G565 F567 I573 C575 E577	G519-R549 PolarHBondContact N-O 3.39Å; L526-R549 PolarHBondContact O-N 3.14Å; M545-R549 HydrophobicContact CE-CB 4.38Å; M545-R549 HydrophobicContact CE-CG 4.47Å; V547-R549 HydrophobicContact CB-CG 4.33Å; V547-R549 HydrophobicContact CG1-CG 4.07Å; V547-R549 WeakPolarHBondContact O-CG 3.48Å; R549-A552 HydrophobicContact CB-CB 4.18Å; R549-G565 WeakPolarHBondContact CD-O 3.11Å; R549-G565 PolarHBondContact NH1-O 3.22Å; R549-F567 CarbonylContact C-O 3.55Å; R549-F567 WeakPolarHBondContact CA-O 3.27Å; R549-I573 HydrophobicContact CG-CD1 3.86Å; R549-C575 PolarHBondContact NH1-O 2.88Å; R549-C575 VanDerWaalsContact NH2-CB 3.32Å; R549-E577 IonicContact CZ-OE1 3.6Å; R549-E577 IonicContact NE-OE1 2.82Å; R549-E577 PolarHBondContact NE-OE1 3.23Å; R549-E577 IonicContact NH2-OE1 3.99Å; R549-E577 PolarHBondContact NH2-OE1 3.38Å
550	R	97.3	Very high	97.5	Very high	56 Å²	56	37.7 Å²	37.7	21%	0.211	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-110.2	148.4	160.7	73.6	-179.4	179.5	74.3	9.4	110.5	Q504 A520 A552 G566 F567	Q504-R550 HydrophobicContact CB-CB 4.33Å; A520-R550 HydrophobicContact CB-CB 3.95Å; R550-A552 PolarHBondContact O-N 2.96Å; R550-G566 CarbonylContact O-C 3.58Å; R550-G566 WeakPolarHBondContact O-CA 3.41Å; R550-F567 HydrophobicContact CG-CB 4.1Å; R550-F567 HydrophobicContact CG-CD1 4.21Å; R550-F567 PolarHBondContact N-O 3.02Å; R550-F567 VanDerWaalsContact NH2-CD1 3.26Å; R550-F567 PolarHBondContact O-N 3.27Å
551	G	97.1	Very high	97.6	Very high	6 Å²	6	34.6 Å²	34.6	6%	0.062	21%	0.208	C	C	.	.	S	Bend	trans	65.4	24.6	179	0	0	0	0	0	113.7	Q504 N598	Q504-G551 PolarHBondContact O-N 2.93Å; G551-N598 VanDerWaalsContact O-CA 3.3Å; G551-N598 WeakPolarHBondContact O-CA 3.3Å; G551-N598 PolarHBondContact O-N 3.14Å
552	A	98.6	Very high	97.6	Very high	11 Å²	11	30.3 Å²	30.3	9%	0.091	19%	0.185	C	C	.	.			trans	-72.1	157.3	167.9	0	0	0	0	0	109.9	R549 R550 V563	R549-A552 HydrophobicContact CB-CB 4.18Å; R550-A552 PolarHBondContact O-N 2.96Å; A552-V563 HydrophobicContact CB-CG1 3.8Å
553	G	98.6	Very high	97.6	Very high	11 Å²	11	29.2 Å²	29.2	11%	0.113	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	162.9	166	0	0	0	0	0	111.1	V563 C564 I601	G553-V563 WeakPolarHBondContact O-CA 3.37Å; G553-C564 PolarHBondContact N-O 2.83Å; G553-C564 VanDerWaalsContact N-O 3.16Å; G553-C564 PolarHBondContact O-N 3.08Å; G553-I601 VanDerWaalsContact CA-CG1 3.47Å
554	V	98.8	Very high	97.6	Very high	18 Å²	18	28.4 Å²	28.4	11%	0.109	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.1	-180	64.5	0	0	0	0	110.4	A506 V507 C508 I517 L561 F562 V563	A506-V554 HydrophobicContact CB-CB 3.82Å; A506-V554 HydrophobicContact CB-CG1 3.71Å; V507-V554 VanDerWaalsContact O-CG1 3.31Å; V507-V554 WeakPolarHBondContact O-CG1 3.3Å; C508-V554 HydrophobicContact CB-CG1 3.78Å; C508-V554 HydrophobicContact CB-CG2 4.38Å; I517-V554 HydrophobicContact CD1-CB 4.31Å; I517-V554 HydrophobicContact CD1-CG2 3.81Å; V554-L561 HydrophobicContact CG2-CB 4.21Å; V554-F562 CarbonylContact C-O 3.56Å; V554-F562 VanDerWaalsContact CA-O 3.28Å; V554-F562 WeakPolarHBondContact CA-O 3.34Å; V554-V563 HydrophobicContact CB-CG2 4.48Å; V554-V563 HydrophobicContact CG2-CG2 4.11Å
555	A	98.6	Very high	97.6	Very high	3 Å²	3	25.1 Å²	25.1	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.9	170.5	0	0	0	0	0	110.1	F562 I601 T603 I608	A555-F562 PolarHBondContact N-O 3.48Å; A555-F562 PolarHBondContact O-N 2.86Å; A555-I601 HydrophobicContact CB-CG2 3.84Å; A555-T603 WeakPolarHBondContact CB-OG1 3.48Å; A555-I608 HydrophobicContact CB-CB 4.31Å; A555-I608 HydrophobicContact CB-CD1 3.96Å; A555-I608 HydrophobicContact CB-CG1 3.74Å; A555-I608 HydrophobicContact CB-CG2 3.68Å
556	V	98.6	Very high	97.6	Very high	48 Å²	48	24.9 Å²	24.9	29%	0.291	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.2	171.9	-178.1	0	0	0	0	108.3	C508 L510 K560 L561 T603	C508-V556 HydrophobicContact CB-CG2 3.89Å; L510-V556 HydrophobicContact CB-CG1 4.47Å; L510-V556 HydrophobicContact CD1-CG1 3.85Å; L510-V556 HydrophobicContact CG-CG1 4.5Å; V556-K560 WeakPolarHBondContact CA-O 3.39Å; V556-L561 HydrophobicContact CG2-CD2 3.87Å; V556-T603 WeakPolarHBondContact O-CB 3.2Å; V556-T603 PolarHBondContact O-OG1 2.95Å
557	L	98.1	Very high	97.7	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	132.2	179.5	-176.6	69.6	0	0	0	109.6	G559 K560 F562 T603 N606 I608 L628	L557-G559 PolarHBondContact O-N 3.17Å; L557-G559 VanDerWaalsContact O-N 3.16Å; L557-K560 PolarHBondContact N-O 2.75Å; L557-K560 PolarHBondContact O-N 3.4Å; L557-F562 HydrophobicContact CB-CD2 4.08Å; L557-F562 HydrophobicContact CB-CE2 3.96Å; L557-T603 HydrophobicContact CD1-CG2 3.85Å; L557-N606 WeakPolarHBondContact CD1-O 3.42Å; L557-N606 VanDerWaalsContact CD1-OD1 3.29Å; L557-N606 WeakPolarHBondContact CD1-OD1 3.36Å; L557-I608 HydrophobicContact CB-CD1 3.93Å; L557-I608 HydrophobicContact CB-CG1 4.16Å; L557-I608 HydrophobicContact CD2-CD1 3.84Å; L557-I608 HydrophobicContact CD2-CG1 3.98Å; L557-L628 HydrophobicContact CD2-CB 4.39Å; L557-L628 HydrophobicContact CD2-CD1 4.45Å; L557-L628 HydrophobicContact CD2-CD2 4.12Å
558	N	96.9	Very high	97.6	Very high	88 Å²	88	23.1 Å²	23.1	47%	0.471	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	42.7	177.7	-70.3	-16	0	0	0	114.2	K560 L628	N558-K560 VanDerWaalsContact C-N 3.28Å; N558-K560 PolarHBondContact O-N 2.83Å; N558-K560 PolarHBondContact O-NZ 3.29Å; N558-L628 WeakPolarHBondContact ND2-CD2 3.36Å
559	G	97.9	Very high	96.9	Very high	43 Å²	43	23.6 Å²	23.6	44%	0.443	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	22.5	178.9	0	0	0	0	0	114.4	L510 L557 P581	L510-G559 WeakPolarHBondContact CD2-O 3.42Å; L557-G559 PolarHBondContact O-N 3.17Å; L557-G559 VanDerWaalsContact O-N 3.16Å; G559-P581 WeakPolarHBondContact O-CD 3.48Å
560	K	98.7	Very high	95.9	Very high	59 Å²	59	27.9 Å²	27.9	26%	0.257	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.6	-178.8	-59.9	-177	-168.6	65.2	0	110.3	V556 L557 N558 F562 M578 Y579 D580	V556-K560 WeakPolarHBondContact CA-O 3.39Å; L557-K560 PolarHBondContact N-O 2.75Å; L557-K560 PolarHBondContact O-N 3.4Å; N558-K560 VanDerWaalsContact C-N 3.28Å; N558-K560 PolarHBondContact O-N 2.83Å; N558-K560 PolarHBondContact O-NZ 3.29Å; K560-F562 HydrophobicContact CB-CE2 4.08Å; K560-M578 HydrophobicContact CB-CG 3.97Å; K560-M578 HydrophobicContact CB-SD 4.21Å; K560-M578 HydrophobicContact CD-CE 3.86Å; K560-M578 HydrophobicContact CD-CG 4.18Å; K560-M578 HydrophobicContact CD-SD 3.32Å; K560-M578 WeakPolarHBondContact CD-SD 3.29Å; K560-M578 HydrophobicContact CG-SD 4.35Å; K560-Y579 WeakPolarHBondContact CB-O 3.45Å; K560-D580 WeakPolarHBondContact CE-OD2 3.16Å
561	L	98.8	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.2	179.3	-43.2	179.1	0	0	0	108.7	L510 Y515 I517 V554 V556 M578 Y579	L510-L561 HydrophobicContact CB-CD2 3.86Å; L510-L561 HydrophobicContact CD2-CD2 3.49Å; L510-L561 VanDerWaalsContact CD2-CD2 3.49Å; L510-L561 HydrophobicContact CD2-CG 4.17Å; L510-L561 HydrophobicContact CG-CD2 4.32Å; Y515-L561 HydrophobicContact CD1-CD1 3.68Å; Y515-L561 HydrophobicContact CD2-CD1 4.03Å; Y515-L561 HydrophobicContact CE1-CD1 4.17Å; Y515-L561 HydrophobicContact CG-CD1 3.58Å; I517-L561 HydrophobicContact CD1-CD1 4.22Å; V554-L561 HydrophobicContact CG2-CB 4.21Å; V556-L561 HydrophobicContact CG2-CD2 3.87Å; L561-M578 CarbonylContact O-C 3.46Å; L561-M578 WeakPolarHBondContact O-CA 3.39Å; L561-Y579 HydrophobicContact CD1-CD1 3.77Å; L561-Y579 HydrophobicContact CD1-CG 4.47Å; L561-Y579 HydrophobicContact CG-CD1 4.09Å; L561-Y579 PolarHBondContact N-O 3.24Å; L561-Y579 VanDerWaalsContact N-O 3.15Å; L561-Y579 PolarHBondContact O-N 3.37Å
562	F	98.9	Very high	94.6	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	111.9	175.5	-73.4	-100	0	0	0	108.8	V554 A555 L557 K560 V576 M578 M589 I608 Y626 L628	V554-F562 CarbonylContact C-O 3.56Å; V554-F562 VanDerWaalsContact CA-O 3.28Å; V554-F562 WeakPolarHBondContact CA-O 3.34Å; A555-F562 PolarHBondContact N-O 3.48Å; A555-F562 PolarHBondContact O-N 2.86Å; L557-F562 HydrophobicContact CB-CD2 4.08Å; L557-F562 HydrophobicContact CB-CE2 3.96Å; K560-F562 HydrophobicContact CB-CE2 4.08Å; F562-V576 HydrophobicContact CD1-CG1 4.44Å; F562-M578 HydrophobicContact CD1-CB 4.06Å; F562-M578 HydrophobicContact CD1-CG 4.17Å; F562-M578 HydrophobicContact CD2-CG 4.28Å; F562-M578 HydrophobicContact CE1-CB 3.94Å; F562-M578 HydrophobicContact CE1-CG 3.81Å; F562-M578 HydrophobicContact CE1-SD 4.26Å; F562-M578 HydrophobicContact CE2-CG 3.92Å; F562-M578 HydrophobicContact CE2-SD 4.43Å; F562-M578 HydrophobicContact CG-CG 4.4Å; F562-M578 HydrophobicContact CZ-CB 4.33Å; F562-M578 HydrophobicContact CZ-CG 3.67Å; F562-M578 HydrophobicContact CZ-SD 3.86Å; F562-M589 HydrophobicContact CE1-CE 4.25Å; F562-M589 HydrophobicContact CE1-CG 4.34Å; F562-I608 HydrophobicContact CB-CD1 3.64Å; F562-I608 HydrophobicContact CD1-CD1 4.02Å; F562-I608 HydrophobicContact CD2-CD1 3.64Å; F562-I608 HydrophobicContact CE2-CD1 4.28Å; F562-I608 HydrophobicContact CG-CD1 3.49Å; F562-I608 VanDerWaalsContact CG-CD1 3.49Å; F562-Y626 HydrophobicContact CD1-CE1 4.18Å; F562-Y626 AromaticContact CE1-CE1 3.68Å; F562-Y626 HydrophobicContact CE1-CE1 3.68Å; F562-Y626 HydrophobicContact CZ-CE1 4.32Å; F562-L628 HydrophobicContact CE1-CD1 4.32Å; F562-L628 HydrophobicContact CZ-CD1 3.76Å
563	V	98.9	Very high	94.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.4	179.2	-179.3	0	0	0	0	108.8	I517 M545 A552 G553 V554 V576 E577 W586	I517-V563 HydrophobicContact CD1-CG2 3.99Å; I517-V563 HydrophobicContact CG2-CG1 4.36Å; I517-V563 HydrophobicContact CG2-CG2 3.8Å; M545-V563 HydrophobicContact SD-CB 4.26Å; M545-V563 HydrophobicContact SD-CG1 3.82Å; M545-V563 HydrophobicContact SD-CG2 4.25Å; A552-V563 HydrophobicContact CB-CG1 3.8Å; G553-V563 WeakPolarHBondContact O-CA 3.37Å; V554-V563 HydrophobicContact CB-CG2 4.48Å; V554-V563 HydrophobicContact CG2-CG2 4.11Å; V563-V576 WeakPolarHBondContact O-CA 3.49Å; V563-E577 HydrophobicContact CB-CG 4.38Å; V563-E577 PolarHBondContact N-O 3.13Å; V563-E577 PolarHBondContact O-N 3.32Å; V563-W586 HydrophobicContact CB-CZ3 4.08Å; V563-W586 HydrophobicContact CG2-CH2 3.51Å; V563-W586 HydrophobicContact CG2-CZ3 3.44Å; V563-W586 VanDerWaalsContact CG2-CZ3 3.44Å
564	C	98.8	Very high	94.4	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.3	-170.4	-51	0	0	0	0	110.6	G553 V576 M592 I601 W633	G553-C564 PolarHBondContact N-O 2.83Å; G553-C564 VanDerWaalsContact N-O 3.16Å; G553-C564 PolarHBondContact O-N 3.08Å; C564-V576 HydrophobicContact CB-CG2 4.16Å; C564-M592 HydrophobicContact CB-CE 4.49Å; C564-M592 HydrophobicContact CB-SD 3.96Å; C564-I601 HydrophobicContact CB-CD1 3.74Å; C564-I601 HydrophobicContact CB-CG1 4.04Å; C564-I601 HydrophobicContact CB-CG2 4.42Å; C564-W633 HydrophobicContact CB-CZ2 4.45Å
565	G	98.5	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.202	C	C	.	.			trans	64.8	-140.2	172.2	0	0	0	0	0	114.5	R549 I573 C575 R596	R549-G565 WeakPolarHBondContact CD-O 3.11Å; R549-G565 PolarHBondContact NH1-O 3.22Å; G565-I573 VanDerWaalsContact CA-O 3.25Å; G565-I573 WeakPolarHBondContact CA-O 3.36Å; G565-C575 PolarHBondContact N-O 2.81Å; G565-C575 VanDerWaalsContact N-O 3.09Å; G565-R596 WeakPolarHBondContact CA-O 3.37Å
566	G	98.1	Very high	94.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.2	C	C	.	.			trans	101.2	-169.4	-172.2	0	0	0	0	0	113.1	R550 A572 I573 R596 S597	R550-G566 CarbonylContact O-C 3.58Å; R550-G566 WeakPolarHBondContact O-CA 3.41Å; G566-A572 WeakPolarHBondContact O-CA 3.08Å; G566-I573 WeakPolarHBondContact O-CG1 3.37Å; G566-I573 PolarHBondContact O-N 2.89Å; G566-R596 PolarHBondContact N-O 2.67Å; G566-S597 WeakPolarHBondContact O-CB 3.06Å
567	F	96.1	Very high	94.2	Very high	44 Å²	44	30.6 Å²	30.6	19%	0.193	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-122.7	129.9	173.7	179.7	-97.2	0	0	0	109.1	C525 R549 R550 G569 S570 H571	C525-F567 PolarHBondContact SG-O 3.26Å; C525-F567 VanDerWaalsContact SG-O 3.38Å; R549-F567 CarbonylContact C-O 3.55Å; R549-F567 WeakPolarHBondContact CA-O 3.27Å; R550-F567 HydrophobicContact CG-CB 4.1Å; R550-F567 HydrophobicContact CG-CD1 4.21Å; R550-F567 PolarHBondContact N-O 3.02Å; R550-F567 VanDerWaalsContact NH2-CD1 3.26Å; R550-F567 PolarHBondContact O-N 3.27Å; F567-G569 VanDerWaalsContact CD1-N 3.27Å; F567-G569 VanDerWaalsContact CE1-N 3.33Å; F567-G569 WeakPolarHBondContact CZ-O 3.4Å; F567-S570 VanDerWaalsContact CE2-C 3.44Å; F567-S570 WeakPolarHBondContact CE2-O 3.15Å; F567-H571 VanDerWaalsContact CA-O 3.32Å; F567-H571 WeakPolarHBondContact CA-O 3.49Å; F567-H571 WeakPolarHBondContact CD2-O 3.01Å
568	D	89.5	Confident	94.2	Very high	56 Å²	56	31.4 Å²	31.4	30%	0.299	19%	0.191	S	C	.	.			trans	-92.4	-5.8	-173	67.1	-2.5	0	0	0	114.7	C525 V547 A548 S570 H571 I573	C525-D568 VanDerWaalsContact SG-C 3.54Å; V547-D568 HydrophobicContact CG1-CB 4.24Å; A548-D568 VanDerWaalsContact O-CA 3.27Å; A548-D568 WeakPolarHBondContact O-CA 3.35Å; A548-D568 WeakPolarHBondContact O-CB 3.35Å; D568-S570 WeakPolarHBondContact OD1-CA 3.46Å; D568-S570 PolarHBondContact OD1-N 3.11Å; D568-H571 PolarHBondContact N-O 3.17Å; D568-H571 VanDerWaalsContact N-O 3.16Å; D568-H571 PolarHBondContact OD1-N 2.94Å; D568-I573 HydrophobicContact CB-CD1 4.46Å; D568-I573 HydrophobicContact CB-CG2 4.23Å
569	G	81.3	Confident	94.3	Very high	41 Å²	41	27.3 Å²	27.3	42%	0.423	17%	0.168	S	C	.	.	S	Bend	trans	118.5	-20.1	-170.7	0	0	0	0	0	112.3	C525 F567	C525-G569 PolarHBondContact SG-N 2.99Å; C525-G569 VanDerWaalsContact SG-N 3.44Å; F567-G569 VanDerWaalsContact CD1-N 3.27Å; F567-G569 VanDerWaalsContact CE1-N 3.33Å; F567-G569 WeakPolarHBondContact CZ-O 3.4Å
570	S	75.3	Confident	94.4	Very high	90 Å²	90	26.3 Å²	26.3	63%	0.629	15%	0.153	S	C	*	.	S	Bend	trans	-131.9	-44.5	-178.1	-58.9	0	0	0	0	112.5	F567 D568	F567-S570 VanDerWaalsContact CE2-C 3.44Å; F567-S570 WeakPolarHBondContact CE2-O 3.15Å; D568-S570 WeakPolarHBondContact OD1-CA 3.46Å; D568-S570 PolarHBondContact OD1-N 3.11Å
571	H	80.3	Confident	94.3	Very high	128 Å²	128	25.2 Å²	25.2	59%	0.593	15%	0.152	S	C	*	.			trans	-125.9	149.1	-174.2	-55.3	94.5	0	0	0	111.4	F567 D568 I573	F567-H571 VanDerWaalsContact CA-O 3.32Å; F567-H571 WeakPolarHBondContact CA-O 3.49Å; F567-H571 WeakPolarHBondContact CD2-O 3.01Å; D568-H571 PolarHBondContact N-O 3.17Å; D568-H571 VanDerWaalsContact N-O 3.16Å; D568-H571 PolarHBondContact OD1-N 2.94Å; H571-I573 HydrophobicContact CB-CG2 4.3Å
572	A	88.1	Confident	94.3	Very high	10 Å²	10	31.2 Å²	31.2	8%	0.083	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-69.4	132.7	153.5	0	0	0	0	0	107.1	G566 P595 F614 D615	G566-A572 WeakPolarHBondContact O-CA 3.08Å; A572-P595 HydrophobicContact CB-CB 4.38Å; A572-P595 WeakPolarHBondContact O-CB 3.34Å; A572-F614 WeakPolarHBondContact CB-O 3.02Å; A572-D615 VanDerWaalsContact CB-C 3.41Å
573	I	94.4	Very high	94.2	Very high	15 Å²	15	38.7 Å²	38.7	8%	0.077	22%	0.217	C	C	.	.			trans	-113.8	154.8	-171.6	60.3	177.4	0	0	0	111.3	V547 R549 G565 G566 D568 H571 C575 R596	V547-I573 HydrophobicContact CG1-CD1 3.88Å; R549-I573 HydrophobicContact CG-CD1 3.86Å; G565-I573 VanDerWaalsContact CA-O 3.25Å; G565-I573 WeakPolarHBondContact CA-O 3.36Å; G566-I573 WeakPolarHBondContact O-CG1 3.37Å; G566-I573 PolarHBondContact O-N 2.89Å; D568-I573 HydrophobicContact CB-CD1 4.46Å; D568-I573 HydrophobicContact CB-CG2 4.23Å; H571-I573 HydrophobicContact CB-CG2 4.3Å; I573-C575 HydrophobicContact CD1-CB 4.49Å; I573-R596 PolarHBondContact O-N 3.11Å
574	S	97.6	Very high	94.1	Very high	26 Å²	26	42.4 Å²	42.4	18%	0.182	24%	0.237	C	C	.	.			trans	-103.1	-5.7	173.2	57.1	0	0	0	0	113.1	M592	S574-M592 VanDerWaalsContact CB-O 3.31Å; S574-M592 WeakPolarHBondContact CB-O 3.3Å; S574-M592 PolarHBondContact O-N 3.15Å
575	C	94.9	Very high	94.1	Very high	31 Å²	31	45.6 Å²	45.6	21%	0.209	25%	0.251	C	S	.	.			trans	-58.2	144.3	-177.2	-58.6	0	0	0	0	111.6	R549 G565 I573 M588 N591	R549-C575 PolarHBondContact NH1-O 2.88Å; R549-C575 VanDerWaalsContact NH2-CB 3.32Å; G565-C575 PolarHBondContact N-O 2.81Å; G565-C575 VanDerWaalsContact N-O 3.09Å; I573-C575 HydrophobicContact CD1-CB 4.49Å; C575-M588 HydrophobicContact CB-CE 3.99Å; C575-N591 WeakPolarHBondContact CA-OD1 3.45Å
576	V	98.8	Very high	94.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.5	175.3	-178.5	0	0	0	0	109.3	F562 V563 C564 M589 M592 W633	F562-V576 HydrophobicContact CD1-CG1 4.44Å; V563-V576 WeakPolarHBondContact O-CA 3.49Å; C564-V576 HydrophobicContact CB-CG2 4.16Å; V576-M589 HydrophobicContact CB-CB 4.21Å; V576-M589 HydrophobicContact CG1-CB 4.1Å; V576-M589 HydrophobicContact CG1-CG 4.45Å; V576-M589 PolarHBondContact O-N 2.98Å; V576-M592 HydrophobicContact CG2-CG 3.94Å; V576-W633 HydrophobicContact CG2-CZ2 3.92Å
577	E	98.4	Very high	94.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.4	175.8	47	-172.3	114.6	0	0	111.5	M545 N546 V547 R549 V563 W586 K587 M588	M545-E577 VanDerWaalsContact CA-OE2 3.28Å; M545-E577 WeakPolarHBondContact CA-OE2 3.17Å; M545-E577 WeakPolarHBondContact CB-OE2 3.31Å; M545-E577 HydrophobicContact CG-CG 4.5Å; M545-E577 WeakPolarHBondContact CG-OE2 3.47Å; M545-E577 HydrophobicContact SD-CG 4.43Å; N546-E577 PolarHBondContact N-OE2 2.88Å; V547-E577 PolarHBondContact N-OE1 3.14Å; R549-E577 IonicContact CZ-OE1 3.6Å; R549-E577 IonicContact NE-OE1 2.82Å; R549-E577 PolarHBondContact NE-OE1 3.23Å; R549-E577 IonicContact NH2-OE1 3.99Å; R549-E577 PolarHBondContact NH2-OE1 3.38Å; V563-E577 HydrophobicContact CB-CG 4.38Å; V563-E577 PolarHBondContact N-O 3.13Å; V563-E577 PolarHBondContact O-N 3.32Å; E577-W586 HydrophobicContact CB-CE3 4.03Å; E577-W586 HydrophobicContact CG-CE3 3.92Å; E577-W586 HydrophobicContact CG-CZ3 4.22Å; E577-K587 CarbonylContact C-O 3.57Å; E577-K587 VanDerWaalsContact CA-O 3.29Å; E577-K587 WeakPolarHBondContact CA-O 3.3Å; E577-M588 HydrophobicContact CB-SD 4.04Å
578	M	98.8	Very high	94.1	Very high	23 Å²	23	54.2 Å²	54.2	11%	0.113	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.7	-176.3	-178.5	-150.5	72.3	0	0	109.9	K560 L561 F562 D580 W586 K587 M589	K560-M578 HydrophobicContact CB-CG 3.97Å; K560-M578 HydrophobicContact CB-SD 4.21Å; K560-M578 HydrophobicContact CD-CE 3.86Å; K560-M578 HydrophobicContact CD-CG 4.18Å; K560-M578 HydrophobicContact CD-SD 3.32Å; K560-M578 WeakPolarHBondContact CD-SD 3.29Å; K560-M578 HydrophobicContact CG-SD 4.35Å; L561-M578 CarbonylContact O-C 3.46Å; L561-M578 WeakPolarHBondContact O-CA 3.39Å; F562-M578 HydrophobicContact CD1-CB 4.06Å; F562-M578 HydrophobicContact CD1-CG 4.17Å; F562-M578 HydrophobicContact CD2-CG 4.28Å; F562-M578 HydrophobicContact CE1-CB 3.94Å; F562-M578 HydrophobicContact CE1-CG 3.81Å; F562-M578 HydrophobicContact CE1-SD 4.26Å; F562-M578 HydrophobicContact CE2-CG 3.92Å; F562-M578 HydrophobicContact CE2-SD 4.43Å; F562-M578 HydrophobicContact CG-CG 4.4Å; F562-M578 HydrophobicContact CZ-CB 4.33Å; F562-M578 HydrophobicContact CZ-CG 3.67Å; F562-M578 HydrophobicContact CZ-SD 3.86Å; M578-D580 HydrophobicContact CE-CB 4.35Å; M578-W586 CarbonylContact O-C 3.6Å; M578-W586 WeakPolarHBondContact O-CA 3.44Å; M578-K587 HydrophobicContact CE-CB 4.35Å; M578-K587 PolarHBondContact N-O 3.35Å; M578-K587 PolarHBondContact O-N 2.92Å; M578-M589 HydrophobicContact CB-CG 3.61Å; M578-M589 HydrophobicContact CB-SD 3.66Å; M578-M589 HydrophobicContact SD-CE 4.41Å; M578-M589 HydrophobicContact SD-SD 4.37Å
579	Y	98.9	Very high	94.5	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129	171.3	178.4	-104.6	0	0	0	111	Y515 I542 A543 K560 L561 P581 N584 E585 W586	Y515-Y579 HydrophobicContact CD1-CE1 4.49Å; Y515-Y579 HydrophobicContact CE1-CD1 4.43Å; Y515-Y579 AromaticContact CE1-CE1 3.79Å; Y515-Y579 HydrophobicContact CE1-CE1 3.79Å; I542-Y579 HydrophobicContact CD1-CE1 4.08Å; I542-Y579 HydrophobicContact CD1-CE2 4Å; A543-Y579 HydrophobicContact CB-CE2 4.49Å; K560-Y579 WeakPolarHBondContact CB-O 3.45Å; L561-Y579 HydrophobicContact CD1-CD1 3.77Å; L561-Y579 HydrophobicContact CD1-CG 4.47Å; L561-Y579 HydrophobicContact CG-CD1 4.09Å; L561-Y579 PolarHBondContact N-O 3.24Å; L561-Y579 VanDerWaalsContact N-O 3.15Å; L561-Y579 PolarHBondContact O-N 3.37Å; Y579-P581 HydrophobicContact CD1-CG 3.98Å; Y579-P581 VanDerWaalsContact CE1-CA 3.48Å; Y579-P581 HydrophobicContact CE1-CB 3.91Å; Y579-P581 HydrophobicContact CE1-CG 3.81Å; Y579-P581 WeakPolarHBondContact O-CD 3.31Å; Y579-N584 PolarHBondContact OH-OD1 3.33Å; Y579-E585 WeakPolarHBondContact CA-O 3.43Å; Y579-E585 WeakPolarHBondContact CD2-O 3.4Å; Y579-W586 AromaticContact CD2-CD1 3.91Å; Y579-W586 HydrophobicContact CD2-CD2 4.08Å; Y579-W586 AromaticContact CD2-CE2 3.59Å; Y579-W586 HydrophobicContact CD2-CG 4.25Å; Y579-W586 AromaticContact CD2-CZ2 3.94Å; Y579-W586 HydrophobicContact CD2-CZ2 3.94Å; Y579-W586 AromaticContact CD2-NE1 3.5Å; Y579-W586 HydrophobicContact CG-CD2 4.42Å; Y579-W586 AromaticContact CG-CE2 3.98Å; Y579-W586 HydrophobicContact CG-CH2 4.36Å; Y579-W586 AromaticContact CG-CZ2 3.93Å; Y579-W586 HydrophobicContact CG-CZ2 3.93Å
580	D	98.4	Very high	95.1	Very high	23 Å²	23	51.5 Å²	51.5	12%	0.123	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	108.5	171	-168.3	-36.9	0	0	0	110.2	K560 M578 T582 R583 N584 E585	K560-D580 WeakPolarHBondContact CE-OD2 3.16Å; M578-D580 HydrophobicContact CE-CB 4.35Å; D580-T582 PolarHBondContact O-N 2.83Å; D580-T582 WeakPolarHBondContact OD1-CB 3.48Å; D580-T582 PolarHBondContact OD1-N 3.18Å; D580-T582 PolarHBondContact OD1-OG1 3.02Å; D580-R583 HydrophobicContact CB-CB 4.41Å; D580-R583 PolarHBondContact O-N 3.3Å; D580-N584 PolarHBondContact O-N 3.2Å; D580-E585 PolarHBondContact N-O 2.98Å; D580-E585 VanDerWaalsContact N-O 3.1Å
581	P	97.9	Very high	96.2	Very high	36 Å²	36	51.2 Å²	51.2	23%	0.234	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.5	-179.5	-21.1	31.2	0	0	0	114.6	L510 G559 Y579 R583	L510-P581 HydrophobicContact CD2-CG 3.61Å; G559-P581 WeakPolarHBondContact O-CD 3.48Å; Y579-P581 HydrophobicContact CD1-CG 3.98Å; Y579-P581 VanDerWaalsContact CE1-CA 3.48Å; Y579-P581 HydrophobicContact CE1-CB 3.91Å; Y579-P581 HydrophobicContact CE1-CG 3.81Å; Y579-P581 WeakPolarHBondContact O-CD 3.31Å; P581-R583 VanDerWaalsContact C-N 3.3Å
582	T	97.9	Very high	97	Very high	125 Å²	125	45.5 Å²	45.5	77%	0.767	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-26.1	-179	69.2	0	0	0	0	112.2	D580	D580-T582 PolarHBondContact O-N 2.83Å; D580-T582 WeakPolarHBondContact OD1-CB 3.48Å; D580-T582 PolarHBondContact OD1-N 3.18Å; D580-T582 PolarHBondContact OD1-OG1 3.02Å
583	R	97.3	Very high	97.4	Very high	160 Å²	160	48.4 Å²	48.4	60%	0.604	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-15.5	-178.3	-65.1	176.8	64.6	172.5	-5	113.1	D580 P581 E585	D580-R583 HydrophobicContact CB-CB 4.41Å; D580-R583 PolarHBondContact O-N 3.3Å; P581-R583 VanDerWaalsContact C-N 3.3Å; R583-E585 VanDerWaalsContact C-N 3.33Å; R583-E585 HydrophobicContact CB-CG 3.72Å; R583-E585 IonicContact CZ-OE1 3.74Å; R583-E585 IonicContact CZ-OE2 2.63Å; R583-E585 VanDerWaalsContact CZ-OE2 3.25Å; R583-E585 IonicContact NE-OE1 3.05Å; R583-E585 PolarHBondContact NE-OE1 3.41Å; R583-E585 IonicContact NE-OE2 3.05Å; R583-E585 PolarHBondContact NE-OE2 3.16Å; R583-E585 IonicContact NH1-OE1 3.75Å; R583-E585 PolarHBondContact NH1-OE1 3.24Å; R583-E585 IonicContact NH2-OE1 3.39Å; R583-E585 PolarHBondContact NH2-OE1 3.48Å; R583-E585 IonicContact NH2-OE2 2.67Å; R583-E585 PolarHBondContact NH2-OE2 3.2Å; R583-E585 PolarHBondContact O-N 2.87Å
584	N	97.5	Very high	97.1	Very high	77 Å²	77	49.2 Å²	49.2	41%	0.412	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	50.9	-173.9	-178.3	41.8	0	0	0	111.4	A543 Y579 D580	A543-N584 WeakPolarHBondContact CB-O 3.46Å; A543-N584 WeakPolarHBondContact CB-OD1 3.21Å; A543-N584 PolarHBondContact N-OD1 3.49Å; A543-N584 VanDerWaalsContact N-OD1 3.08Å; Y579-N584 PolarHBondContact OH-OD1 3.33Å; D580-N584 PolarHBondContact O-N 3.2Å
585	E	97.1	Very high	97	Very high	70 Å²	70	50.4 Å²	50.4	33%	0.327	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.5	-179.7	68.8	180	-144.4	0	0	111.4	Y579 D580 R583	Y579-E585 WeakPolarHBondContact CA-O 3.43Å; Y579-E585 WeakPolarHBondContact CD2-O 3.4Å; D580-E585 PolarHBondContact N-O 2.98Å; D580-E585 VanDerWaalsContact N-O 3.1Å; R583-E585 VanDerWaalsContact C-N 3.33Å; R583-E585 HydrophobicContact CB-CG 3.72Å; R583-E585 IonicContact CZ-OE1 3.74Å; R583-E585 IonicContact CZ-OE2 2.63Å; R583-E585 VanDerWaalsContact CZ-OE2 3.25Å; R583-E585 IonicContact NE-OE1 3.05Å; R583-E585 PolarHBondContact NE-OE1 3.41Å; R583-E585 IonicContact NE-OE2 3.05Å; R583-E585 PolarHBondContact NE-OE2 3.16Å; R583-E585 IonicContact NH1-OE1 3.75Å; R583-E585 PolarHBondContact NH1-OE1 3.24Å; R583-E585 IonicContact NH2-OE1 3.39Å; R583-E585 PolarHBondContact NH2-OE1 3.48Å; R583-E585 IonicContact NH2-OE2 2.67Å; R583-E585 PolarHBondContact NH2-OE2 3.2Å; R583-E585 PolarHBondContact O-N 2.87Å
586	W	98.6	Very high	97.2	Very high	23 Å²	23	49 Å²	49	9%	0.087	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.3	174.3	-68.8	87	0	0	0	110.4	I517 V529 A543 P544 M545 V563 E577 M578 Y579	I517-W586 HydrophobicContact CD1-CH2 4.47Å; I517-W586 HydrophobicContact CG2-CH2 4.1Å; V529-W586 HydrophobicContact CB-CZ2 4.48Å; V529-W586 HydrophobicContact CG1-CZ2 4.36Å; V529-W586 HydrophobicContact CG2-CZ2 3.74Å; A543-W586 PolarHBondContact O-NE1 2.79Å; P544-W586 VanDerWaalsContact C-CD1 3.48Å; M545-W586 HydrophobicContact CG-CD2 3.8Å; M545-W586 HydrophobicContact CG-CE3 3.87Å; M545-W586 HydrophobicContact CG-CH2 3.81Å; M545-W586 HydrophobicContact CG-CZ2 3.73Å; M545-W586 HydrophobicContact CG-CZ3 3.87Å; M545-W586 HydrophobicContact SD-CH2 4.23Å; M545-W586 HydrophobicContact SD-CZ3 4.28Å; V563-W586 HydrophobicContact CB-CZ3 4.08Å; V563-W586 HydrophobicContact CG2-CH2 3.51Å; V563-W586 HydrophobicContact CG2-CZ3 3.44Å; V563-W586 VanDerWaalsContact CG2-CZ3 3.44Å; E577-W586 HydrophobicContact CB-CE3 4.03Å; E577-W586 HydrophobicContact CG-CE3 3.92Å; E577-W586 HydrophobicContact CG-CZ3 4.22Å; M578-W586 CarbonylContact O-C 3.6Å; M578-W586 WeakPolarHBondContact O-CA 3.44Å; Y579-W586 AromaticContact CD2-CD1 3.91Å; Y579-W586 HydrophobicContact CD2-CD2 4.08Å; Y579-W586 AromaticContact CD2-CE2 3.59Å; Y579-W586 HydrophobicContact CD2-CG 4.25Å; Y579-W586 AromaticContact CD2-CZ2 3.94Å; Y579-W586 HydrophobicContact CD2-CZ2 3.94Å; Y579-W586 AromaticContact CD2-NE1 3.5Å; Y579-W586 HydrophobicContact CG-CD2 4.42Å; Y579-W586 AromaticContact CG-CE2 3.98Å; Y579-W586 HydrophobicContact CG-CH2 4.36Å; Y579-W586 AromaticContact CG-CZ2 3.93Å; Y579-W586 HydrophobicContact CG-CZ2 3.93Å
587	K	98.1	Very high	97.1	Very high	125 Å²	125	49.3 Å²	49.3	54%	0.543	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.7	175.5	-176	-177.6	173.3	-173.7	0	110.3	E577 M578 M589	E577-K587 CarbonylContact C-O 3.57Å; E577-K587 VanDerWaalsContact CA-O 3.29Å; E577-K587 WeakPolarHBondContact CA-O 3.3Å; M578-K587 HydrophobicContact CE-CB 4.35Å; M578-K587 PolarHBondContact N-O 3.35Å; M578-K587 PolarHBondContact O-N 2.92Å; K587-M589 HydrophobicContact CB-SD 4.35Å; K587-M589 HydrophobicContact CD-SD 4.21Å; K587-M589 HydrophobicContact CG-SD 4.16Å
588	M	97.8	Very high	97.1	Very high	78 Å²	78	50.4 Å²	50.4	38%	0.384	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	134.6	171.1	-63	-58.2	-63	0	0	110.5	N546 C575 E577	N546-M588 HydrophobicContact CB-SD 4.03Å; C575-M588 HydrophobicContact CB-CE 3.99Å; E577-M588 HydrophobicContact CB-SD 4.04Å
589	M	98.1	Very high	97.1	Very high	24 Å²	24	50 Å²	50	12%	0.118	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-179.5	-179.7	-51.4	-53	-67.6	0	0	110.1	F562 V576 M578 K587 N591 Y626 N631	F562-M589 HydrophobicContact CE1-CE 4.25Å; F562-M589 HydrophobicContact CE1-CG 4.34Å; V576-M589 HydrophobicContact CB-CB 4.21Å; V576-M589 HydrophobicContact CG1-CB 4.1Å; V576-M589 HydrophobicContact CG1-CG 4.45Å; V576-M589 PolarHBondContact O-N 2.98Å; M578-M589 HydrophobicContact CB-CG 3.61Å; M578-M589 HydrophobicContact CB-SD 3.66Å; M578-M589 HydrophobicContact SD-CE 4.41Å; M578-M589 HydrophobicContact SD-SD 4.37Å; K587-M589 HydrophobicContact CB-SD 4.35Å; K587-M589 HydrophobicContact CD-SD 4.21Å; K587-M589 HydrophobicContact CG-SD 4.16Å; M589-N591 PolarHBondContact O-N 3.02Å; M589-Y626 WeakPolarHBondContact CE-OH 3.41Å; M589-N631 WeakPolarHBondContact CB-OD1 3.41Å; M589-N631 WeakPolarHBondContact CE-OD1 3.37Å
590	G	93.8	Very high	97.1	Very high	15 Å²	15	50 Å²	50	16%	0.155	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-57.7	135.9	172.9	0	0	0	0	0	111.5	N631 W633	G590-N631 WeakPolarHBondContact CA-O 3.49Å; G590-N631 PolarHBondContact N-ND2 2.98Å; G590-N631 PolarHBondContact N-OD1 2.99Å; G590-W633 VanDerWaalsContact O-CD1 3.23Å; G590-W633 PolarHBondContact O-NE1 3.34Å; G590-W633 VanDerWaalsContact O-NE1 3.08Å
591	N	97.3	Very high	97.1	Very high	84 Å²	84	49.4 Å²	49.4	45%	0.449	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-72.8	147.5	179.2	-70.6	-3	0	0	0	110.8	C575 M589	C575-N591 WeakPolarHBondContact CA-OD1 3.45Å; M589-N591 PolarHBondContact O-N 3.02Å
592	M	98.3	Very high	97.2	Very high	8 Å²	8	48.1 Å²	48.1	4%	0.039	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-58.4	151.7	166.2	-65.6	-177.5	-57.2	0	0	110.1	C564 S574 V576 S594 R596 A610 W633	C564-M592 HydrophobicContact CB-CE 4.49Å; C564-M592 HydrophobicContact CB-SD 3.96Å; S574-M592 VanDerWaalsContact CB-O 3.31Å; S574-M592 WeakPolarHBondContact CB-O 3.3Å; S574-M592 PolarHBondContact O-N 3.15Å; V576-M592 HydrophobicContact CG2-CG 3.94Å; M592-S594 VanDerWaalsContact C-N 3.25Å; M592-S594 WeakPolarHBondContact CB-O 3.48Å; M592-S594 PolarHBondContact O-N 3.25Å; M592-R596 HydrophobicContact CE-CB 3.9Å; M592-R596 HydrophobicContact CE-CG 3.97Å; M592-R596 HydrophobicContact SD-CG 4.36Å; M592-A610 HydrophobicContact SD-CB 3.78Å; M592-W633 HydrophobicContact CB-CD2 4.35Å; M592-W633 HydrophobicContact CB-CG 4.4Å; M592-W633 HydrophobicContact CG-CD2 3.71Å; M592-W633 HydrophobicContact CG-CE3 4.07Å; M592-W633 HydrophobicContact CG-CG 4.19Å; M592-W633 HydrophobicContact CG-CH2 4.14Å; M592-W633 HydrophobicContact CG-CZ2 3.8Å; M592-W633 HydrophobicContact CG-CZ3 4.27Å; M592-W633 HydrophobicContact SD-CH2 4.34Å; M592-W633 HydrophobicContact SD-CZ2 4.42Å
593	T	96.5	Very high	97.2	Very high	71 Å²	71	43.7 Å²	43.7	44%	0.436	23%	0.226	S	C	.	.	S	Bend	trans	-70.3	-25.4	176.6	62.9	0	0	0	0	112.4	E624 W633	T593-E624 WeakPolarHBondContact CB-OE2 3.4Å; T593-E624 PolarHBondContact N-OE2 3.34Å; T593-E624 PolarHBondContact OG1-OE1 3.07Å; T593-E624 PolarHBondContact OG1-OE2 3.34Å; T593-W633 HydrophobicContact CG2-CB 4.04Å; T593-W633 WeakPolarHBondContact CG2-O 3.37Å
594	S	88.1	Confident	97.2	Very high	33 Å²	33	36.4 Å²	36.4	23%	0.231	20%	0.199	C	C	.	.	S	Bend	trans	-121.1	142.2	172.7	-58	0	0	0	0	111.3	M592 R596 E624	M592-S594 VanDerWaalsContact C-N 3.25Å; M592-S594 WeakPolarHBondContact CB-O 3.48Å; M592-S594 PolarHBondContact O-N 3.25Å; S594-R596 WeakPolarHBondContact O-CG 3.47Å; S594-E624 PolarHBondContact N-OE1 2.65Å
595	P	95.4	Very high	97.1	Very high	50 Å²	50	35.9 Å²	35.9	33%	0.325	21%	0.212	S	C	.	.			trans	-67.1	133.4	166.5	-15.4	29.6	0	0	0	110.5	A572 D615	A572-P595 HydrophobicContact CB-CB 4.38Å; A572-P595 WeakPolarHBondContact O-CB 3.34Å; P595-D615 WeakPolarHBondContact O-CA 3.36Å; P595-D615 VanDerWaalsContact O-CB 3.27Å; P595-D615 WeakPolarHBondContact O-CB 3.21Å
596	R	98.5	Very high	97	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.011	22%	0.222	C	C	.	.			trans	-140.4	110.7	-176.4	-47.5	-177.3	177.2	-98.8	-1.8	111.8	G565 G566 I573 M592 S594 A599 G612 L620 T622 E624	G565-R596 WeakPolarHBondContact CA-O 3.37Å; G566-R596 PolarHBondContact N-O 2.67Å; I573-R596 PolarHBondContact O-N 3.11Å; M592-R596 HydrophobicContact CE-CB 3.9Å; M592-R596 HydrophobicContact CE-CG 3.97Å; M592-R596 HydrophobicContact SD-CG 4.36Å; S594-R596 WeakPolarHBondContact O-CG 3.47Å; R596-A599 HydrophobicContact CB-CB 3.71Å; R596-G612 PolarHBondContact NH1-O 2.95Å; R596-L620 HydrophobicContact CG-CD1 3.94Å; R596-T622 PolarHBondContact NH1-O 2.96Å; R596-T622 PolarHBondContact NH1-OG1 3.43Å; R596-T622 VanDerWaalsContact NH1-OG1 3.13Å; R596-T622 PolarHBondContact NH2-OG1 2.87Å; R596-E624 IonicContact CZ-OE1 2.74Å; R596-E624 IonicContact NE-OE1 2.82Å; R596-E624 PolarHBondContact NE-OE1 3.05Å; R596-E624 IonicContact NH2-OE1 3.09Å; R596-E624 PolarHBondContact NH2-OE1 3.44Å
597	S	97.4	Very high	96.9	Very high	5 Å²	5	38.6 Å²	38.6	4%	0.035	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-99.4	144	165.8	68.7	0	0	0	0	110.7	G566 A599 G613 F614	G566-S597 WeakPolarHBondContact O-CB 3.06Å; S597-A599 PolarHBondContact O-N 2.93Å; S597-A599 VanDerWaalsContact O-N 3.15Å; S597-G613 CarbonylContact O-C 3.59Å; S597-G613 VanDerWaalsContact O-CA 3.25Å; S597-G613 WeakPolarHBondContact O-CA 3.33Å; S597-F614 PolarHBondContact N-O 3.38Å; S597-F614 PolarHBondContact O-N 3.26Å; S597-F614 PolarHBondContact OG-O 3.46Å
598	N	98.1	Very high	97	Very high	24 Å²	24	32.7 Å²	32.7	13%	0.128	21%	0.207	C	C	.	.	S	Bend	trans	54.7	32.7	179.8	-62.9	103.6	0	0	0	113.5	S359 G360 Q504 G551	S359-N598 VanDerWaalsContact OG-CB 3.26Å; S359-N598 WeakPolarHBondContact OG-CB 3.34Å; S359-N598 PolarHBondContact OG-O 3.01Å; G360-N598 PolarHBondContact N-O 3.18Å; Q504-N598 PolarHBondContact NE2-ND2 3.34Å; G551-N598 VanDerWaalsContact O-CA 3.3Å; G551-N598 WeakPolarHBondContact O-CA 3.3Å; G551-N598 PolarHBondContact O-N 3.14Å
599	A	98.4	Very high	97	Very high	14 Å²	14	29.7 Å²	29.7	12%	0.116	19%	0.191	C	C	.	.			trans	-83.1	167.2	176.5	0	0	0	0	0	112.5	R596 S597	R596-A599 HydrophobicContact CB-CB 3.71Å; S597-A599 PolarHBondContact O-N 2.93Å; S597-A599 VanDerWaalsContact O-N 3.15Å
600	G	98.6	Very high	97.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.7	170.7	0	0	0	0	0	110.4	T363 A610 V611	T363-G600 VanDerWaalsContact CG2-CA 3.43Å; T363-G600 VanDerWaalsContact OG1-CA 3.29Å; T363-G600 WeakPolarHBondContact OG1-CA 3.27Å; G600-A610 WeakPolarHBondContact O-CA 3.3Å; G600-V611 PolarHBondContact N-O 2.72Å; G600-V611 PolarHBondContact O-N 3.49Å
601	I	98.8	Very high	97.3	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.062	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.4	177.4	-54.4	-61.9	0	0	0	107.5	T363 G553 A555 C564 I608 Y609 A610	T363-I601 PolarHBondContact OG1-N 2.94Å; T363-I601 PolarHBondContact OG1-O 2.95Å; G553-I601 VanDerWaalsContact CA-CG1 3.47Å; A555-I601 HydrophobicContact CB-CG2 3.84Å; C564-I601 HydrophobicContact CB-CD1 3.74Å; C564-I601 HydrophobicContact CB-CG1 4.04Å; C564-I601 HydrophobicContact CB-CG2 4.42Å; I601-I608 HydrophobicContact CG2-CG2 4.04Å; I601-Y609 WeakPolarHBondContact CA-O 3.32Å; I601-A610 HydrophobicContact CD1-CB 3.38Å
602	A	98.6	Very high	97.4	Very high	9 Å²	9	23.9 Å²	23.9	7%	0.074	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	152.2	177.5	0	0	0	0	0	111.4	L370 Y609	L370-A602 HydrophobicContact CD1-CB 3.79Å; A602-Y609 PolarHBondContact N-O 3.37Å; A602-Y609 VanDerWaalsContact N-O 3.16Å; A602-Y609 PolarHBondContact O-N 3.45Å
603	T	98.6	Very high	97.3	Very high	31 Å²	31	23.5 Å²	23.5	19%	0.19	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.2	170.1	-55.6	0	0	0	0	108.7	E365 A555 V556 L557 T607	E365-T603 VanDerWaalsContact CB-O 3.3Å; E365-T603 WeakPolarHBondContact CB-O 3.3Å; A555-T603 WeakPolarHBondContact CB-OG1 3.48Å; V556-T603 WeakPolarHBondContact O-CB 3.2Å; V556-T603 PolarHBondContact O-OG1 2.95Å; L557-T603 HydrophobicContact CD1-CG2 3.85Å; T603-T607 CarbonylContact C-O 3.58Å; T603-T607 WeakPolarHBondContact CA-O 3.24Å
604	V	97.9	Very high	97.2	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.042	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	120.2	173.6	-178.9	0	0	0	0	109	E365 G368 L370 P390 N606 T607 Y609	E365-V604 HydrophobicContact CB-CG2 4.09Å; E365-V604 HydrophobicContact CG-CB 4.26Å; E365-V604 HydrophobicContact CG-CG1 4.13Å; E365-V604 HydrophobicContact CG-CG2 4.05Å; G368-V604 VanDerWaalsContact C-CG1 3.46Å; G368-V604 WeakPolarHBondContact O-CG1 3.46Å; L370-V604 HydrophobicContact CB-CG2 3.82Å; L370-V604 HydrophobicContact CD1-CG2 4.13Å; P390-V604 HydrophobicContact CG-CG1 4.17Å; V604-N606 PolarHBondContact O-N 2.93Å; V604-T607 PolarHBondContact N-O 3.42Å; V604-T607 PolarHBondContact O-N 3.27Å; V604-T607 VanDerWaalsContact O-N 3.11Å; V604-Y609 HydrophobicContact CB-CD2 3.9Å; V604-Y609 HydrophobicContact CB-CE2 3.89Å; V604-Y609 HydrophobicContact CG2-CD2 4.12Å
605	G	95.1	Very high	97.2	Very high	66 Å²	66	23.2 Å²	23.2	68%	0.68	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	-111	-166.7	0	0	0	0	0	110.2
606	N	94.9	Very high	96.2	Very high	102 Å²	102	22.7 Å²	22.7	55%	0.545	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	23.2	178.6	-155.4	48	0	0	0	112.9	L557 V604	L557-N606 WeakPolarHBondContact CD1-O 3.42Å; L557-N606 VanDerWaalsContact CD1-OD1 3.29Å; L557-N606 WeakPolarHBondContact CD1-OD1 3.36Å; V604-N606 PolarHBondContact O-N 2.93Å
607	T	97.6	Very high	95	Very high	49 Å²	49	27.8 Å²	27.8	30%	0.301	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.8	-174.9	-54.3	0	0	0	0	109.8	T603 V604 Y609 V625	T603-T607 CarbonylContact C-O 3.58Å; T603-T607 WeakPolarHBondContact CA-O 3.24Å; V604-T607 PolarHBondContact N-O 3.42Å; V604-T607 PolarHBondContact O-N 3.27Å; V604-T607 VanDerWaalsContact O-N 3.11Å; T607-Y609 HydrophobicContact CG2-CD2 4.37Å; T607-Y609 HydrophobicContact CG2-CE2 3.86Å; T607-V625 HydrophobicContact CG2-CB 3.89Å; T607-V625 HydrophobicContact CG2-CG1 3.91Å
608	I	98.8	Very high	94.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131	175.2	-60.6	165.9	0	0	0	108.5	A555 L557 F562 I601 V625 Y626 W633	A555-I608 HydrophobicContact CB-CB 4.31Å; A555-I608 HydrophobicContact CB-CD1 3.96Å; A555-I608 HydrophobicContact CB-CG1 3.74Å; A555-I608 HydrophobicContact CB-CG2 3.68Å; L557-I608 HydrophobicContact CB-CD1 3.93Å; L557-I608 HydrophobicContact CB-CG1 4.16Å; L557-I608 HydrophobicContact CD2-CD1 3.84Å; L557-I608 HydrophobicContact CD2-CG1 3.98Å; F562-I608 HydrophobicContact CB-CD1 3.64Å; F562-I608 HydrophobicContact CD1-CD1 4.02Å; F562-I608 HydrophobicContact CD2-CD1 3.64Å; F562-I608 HydrophobicContact CE2-CD1 4.28Å; F562-I608 HydrophobicContact CG-CD1 3.49Å; F562-I608 VanDerWaalsContact CG-CD1 3.49Å; I601-I608 HydrophobicContact CG2-CG2 4.04Å; I608-V625 WeakPolarHBondContact O-CA 3.34Å; I608-Y626 HydrophobicContact CD1-CD1 4.11Å; I608-Y626 PolarHBondContact O-N 3Å; I608-W633 HydrophobicContact CG2-CH2 3.9Å
609	Y	98.8	Very high	93.7	Very high	15 Å²	15	30.9 Å²	30.9	6%	0.059	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	139.2	174.3	-73.9	-101.3	0	0	0	110.1	M351 L370 Y388 P390 I601 A602 V604 T607 V623 E624 V625	M351-Y609 HydrophobicContact CE-CE1 4.15Å; M351-Y609 HydrophobicContact SD-CE1 4.31Å; L370-Y609 HydrophobicContact CD2-CD1 4.19Å; L370-Y609 HydrophobicContact CD2-CG 4.16Å; Y388-Y609 HydrophobicContact CD1-CE1 4.18Å; Y388-Y609 HydrophobicContact CE1-CD1 4.45Å; Y388-Y609 AromaticContact CE1-CE1 3.73Å; Y388-Y609 HydrophobicContact CE1-CE1 3.73Å; P390-Y609 WeakPolarHBondContact CB-OH 3.21Å; I601-Y609 WeakPolarHBondContact CA-O 3.32Å; A602-Y609 PolarHBondContact N-O 3.37Å; A602-Y609 VanDerWaalsContact N-O 3.16Å; A602-Y609 PolarHBondContact O-N 3.45Å; V604-Y609 HydrophobicContact CB-CD2 3.9Å; V604-Y609 HydrophobicContact CB-CE2 3.89Å; V604-Y609 HydrophobicContact CG2-CD2 4.12Å; T607-Y609 HydrophobicContact CG2-CD2 4.37Å; T607-Y609 HydrophobicContact CG2-CE2 3.86Å; Y609-V623 HydrophobicContact CD1-CG2 3.78Å; Y609-E624 WeakPolarHBondContact CA-O 3.45Å; Y609-V625 HydrophobicContact CD1-CG1 3.34Å; Y609-V625 HydrophobicContact CD2-CG1 4.17Å; Y609-V625 HydrophobicContact CE1-CG1 3.03Å; Y609-V625 HydrophobicContact CE2-CG1 3.91Å; Y609-V625 HydrophobicContact CG-CG1 3.89Å
610	A	98.8	Very high	93.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.1	166	0	0	0	0	0	109.4	M592 G600 I601 V623 E624 W633	M592-A610 HydrophobicContact SD-CB 3.78Å; G600-A610 WeakPolarHBondContact O-CA 3.3Å; I601-A610 HydrophobicContact CD1-CB 3.38Å; A610-V623 CarbonylContact O-C 3.58Å; A610-V623 WeakPolarHBondContact O-CA 3.32Å; A610-E624 HydrophobicContact CB-CG 3.98Å; A610-E624 PolarHBondContact N-O 3.3Å; A610-E624 PolarHBondContact O-N 3.17Å; A610-W633 HydrophobicContact CB-CE3 4.45Å; A610-W633 HydrophobicContact CB-CH2 3.87Å; A610-W633 HydrophobicContact CB-CZ3 3.52Å
611	V	98.8	Very high	93.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.1	-174.9	65.1	0	0	0	0	112	M354 T363 L370 W395 G600 V623	M354-V611 HydrophobicContact CE-CG2 3.51Å; M354-V611 HydrophobicContact CG-CG2 4.06Å; M354-V611 HydrophobicContact SD-CG2 3.54Å; M354-V611 VanDerWaalsContact SD-CG2 3.54Å; T363-V611 HydrophobicContact CG2-CG1 3.82Å; L370-V611 HydrophobicContact CD2-CB 4.12Å; L370-V611 HydrophobicContact CD2-CG1 3.91Å; W395-V611 HydrophobicContact CH2-CG2 3.84Å; W395-V611 HydrophobicContact CZ2-CG2 3.9Å; G600-V611 PolarHBondContact N-O 2.72Å; G600-V611 PolarHBondContact O-N 3.49Å; V611-V623 HydrophobicContact CB-CB 4.28Å; V611-V623 HydrophobicContact CB-CG2 4.09Å; V611-V623 HydrophobicContact CG2-CB 4.08Å; V611-V623 HydrophobicContact CG2-CG2 4.35Å
612	G	98.6	Very high	93.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.214	C	C	.	.			trans	63	-145.1	179.7	0	0	0	0	0	113.2	R358 R596 L620 T622	R358-G612 WeakPolarHBondContact O-CA 3.24Å; R596-G612 PolarHBondContact NH1-O 2.95Å; G612-L620 VanDerWaalsContact CA-O 3.27Å; G612-L620 WeakPolarHBondContact CA-O 3.41Å; G612-T622 PolarHBondContact N-O 2.94Å
613	G	97.9	Very high	93.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.212	C	C	.	.			trans	98.3	-170.7	-174.8	0	0	0	0	0	113.7	R358 S597 F619 L620	R358-G613 PolarHBondContact O-N 2.97Å; S597-G613 CarbonylContact O-C 3.59Å; S597-G613 VanDerWaalsContact O-CA 3.25Å; S597-G613 WeakPolarHBondContact O-CA 3.33Å; G613-F619 CarbonylContact O-C 3.56Å; G613-F619 WeakPolarHBondContact O-CA 3.38Å; G613-L620 PolarHBondContact O-N 3.13Å
614	F	92.6	Very high	93.3	Very high	54 Å²	54	33.8 Å²	33.8	24%	0.237	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-128.2	125.1	176.3	-179.6	-106.7	0	0	0	109.4	A572 S597 G616 N617 E618 F619	A572-F614 WeakPolarHBondContact CB-O 3.02Å; S597-F614 PolarHBondContact N-O 3.38Å; S597-F614 PolarHBondContact O-N 3.26Å; S597-F614 PolarHBondContact OG-O 3.46Å; F614-G616 VanDerWaalsContact C-N 3.31Å; F614-G616 WeakPolarHBondContact CE1-O 3.41Å; F614-G616 VanDerWaalsContact CZ-O 3.24Å; F614-G616 WeakPolarHBondContact CZ-O 3.47Å; F614-G616 PolarHBondContact O-N 3.32Å; F614-N617 VanDerWaalsContact CE2-O 3.25Å; F614-N617 WeakPolarHBondContact CE2-O 3.18Å; F614-E618 VanDerWaalsContact CA-O 3.31Å; F614-E618 WeakPolarHBondContact CA-O 3.49Å; F614-E618 VanDerWaalsContact CD2-C 3.42Å; F614-E618 WeakPolarHBondContact CD2-O 3.48Å; F614-F619 HydrophobicContact CD2-CD1 4.35Å; F614-F619 HydrophobicContact CD2-CD2 4Å; F614-F619 HydrophobicContact CD2-CE1 4.36Å; F614-F619 HydrophobicContact CD2-CE2 4.03Å; F614-F619 HydrophobicContact CD2-CG 4.17Å; F614-F619 HydrophobicContact CD2-CZ 4.22Å; F614-F619 HydrophobicContact CE2-CD2 4.28Å; F614-F619 HydrophobicContact CE2-CE2 4.12Å
615	D	89.4	Confident	93.3	Very high	44 Å²	44	34.4 Å²	34.4	24%	0.235	21%	0.206	C	C	.	.			trans	-89.2	6.4	-174.1	73.5	-7.5	0	0	0	113.9	A572 P595 N617 E618 L620	A572-D615 VanDerWaalsContact CB-C 3.41Å; P595-D615 WeakPolarHBondContact O-CA 3.36Å; P595-D615 VanDerWaalsContact O-CB 3.27Å; P595-D615 WeakPolarHBondContact O-CB 3.21Å; D615-N617 WeakPolarHBondContact OD1-CA 3.4Å; D615-N617 WeakPolarHBondContact OD1-CB 3.46Å; D615-N617 PolarHBondContact OD1-N 3.39Å; D615-E618 PolarHBondContact N-O 3.46Å; D615-E618 VanDerWaalsContact N-O 3.13Å; D615-E618 PolarHBondContact OD1-N 2.95Å; D615-L620 HydrophobicContact CB-CD1 4.24Å; D615-L620 HydrophobicContact CB-CD2 4.29Å; D615-L620 HydrophobicContact CB-CG 4.44Å
616	G	74.2	Confident	93.5	Very high	39 Å²	39	31.6 Å²	31.6	40%	0.402	18%	0.175	S	C	.	.	S	Bend	trans	101.9	-21.6	-171.6	0	0	0	0	0	112.8	F614	F614-G616 VanDerWaalsContact C-N 3.31Å; F614-G616 WeakPolarHBondContact CE1-O 3.41Å; F614-G616 VanDerWaalsContact CZ-O 3.24Å; F614-G616 WeakPolarHBondContact CZ-O 3.47Å; F614-G616 PolarHBondContact O-N 3.32Å
617	N	73.3	Confident	93.5	Very high	110 Å²	110	30.4 Å²	30.4	59%	0.588	17%	0.169	S	C	*	.	S	Bend	trans	-121.3	-53.2	179.4	-61	-56.4	0	0	0	111.5	R378 F614 D615	R378-N617 PolarHBondContact NH2-O 3.29Å; F614-N617 VanDerWaalsContact CE2-O 3.25Å; F614-N617 WeakPolarHBondContact CE2-O 3.18Å; D615-N617 WeakPolarHBondContact OD1-CA 3.4Å; D615-N617 WeakPolarHBondContact OD1-CB 3.46Å; D615-N617 PolarHBondContact OD1-N 3.39Å
618	E	77.9	Confident	93.3	Very high	58 Å²	58	31.1 Å²	31.1	27%	0.271	17%	0.17	S	C	.	.			trans	-121.9	150	-169	-59.9	-171.2	-176.3	0	0	112.8	K193 F614 D615	K193-E618 WeakPolarHBondContact CD-OE1 3.48Å; K193-E618 WeakPolarHBondContact CE-OE1 3.21Å; K193-E618 IonicContact NZ-OE1 3.2Å; K193-E618 PolarHBondContact NZ-OE1 2.85Å; K193-E618 IonicContact NZ-OE2 2.64Å; K193-E618 PolarHBondContact NZ-OE2 3.01Å; F614-E618 VanDerWaalsContact CA-O 3.31Å; F614-E618 WeakPolarHBondContact CA-O 3.49Å; F614-E618 VanDerWaalsContact CD2-C 3.42Å; F614-E618 WeakPolarHBondContact CD2-O 3.48Å; D615-E618 PolarHBondContact N-O 3.46Å; D615-E618 VanDerWaalsContact N-O 3.13Å; D615-E618 PolarHBondContact OD1-N 2.95Å
619	F	89.3	Confident	93.1	Very high	37 Å²	37	40 Å²	40	16%	0.162	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-79.9	127.2	165.6	-66.3	-97.4	0	0	0	107.6	A357 Y376 N377 R378 G613 F614	A357-F619 HydrophobicContact CB-CB 3.81Å; A357-F619 WeakPolarHBondContact CB-O 3.37Å; Y376-F619 AromaticContact CD2-CE1 3.68Å; Y376-F619 HydrophobicContact CD2-CE1 3.68Å; Y376-F619 AromaticContact CD2-CZ 3.94Å; Y376-F619 HydrophobicContact CD2-CZ 3.94Å; Y376-F619 AromaticContact CE2-CE1 3.37Å; Y376-F619 HydrophobicContact CE2-CE1 3.37Å; Y376-F619 AromaticContact CE2-CZ 3.53Å; Y376-F619 HydrophobicContact CE2-CZ 3.53Å; Y376-F619 HydrophobicContact CG-CE1 4.4Å; Y376-F619 AromaticContact CZ-CE1 3.84Å; Y376-F619 WeakPolarHBondContact O-CD1 3.45Å; N377-F619 HydrophobicContact CB-CB 4.21Å; N377-F619 HydrophobicContact CB-CD1 4.41Å; N377-F619 HydrophobicContact CB-CG 4.16Å; R378-F619 HydrophobicContact CB-CE2 4.5Å; R378-F619 HydrophobicContact CG-CD2 3.58Å; R378-F619 HydrophobicContact CG-CE2 3.53Å; G613-F619 CarbonylContact O-C 3.56Å; G613-F619 WeakPolarHBondContact O-CA 3.38Å; F614-F619 HydrophobicContact CD2-CD1 4.35Å; F614-F619 HydrophobicContact CD2-CD2 4Å; F614-F619 HydrophobicContact CD2-CE1 4.36Å; F614-F619 HydrophobicContact CD2-CE2 4.03Å; F614-F619 HydrophobicContact CD2-CG 4.17Å; F614-F619 HydrophobicContact CD2-CZ 4.22Å; F614-F619 HydrophobicContact CE2-CD2 4.28Å; F614-F619 HydrophobicContact CE2-CE2 4.12Å
620	L	93.5	Very high	92.9	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.099	23%	0.227	C	C	.	.			trans	-90.5	146.9	-176	-54.9	177.5	0	0	0	110.1	A357 R358 R596 G612 G613 D615	A357-L620 WeakPolarHBondContact CA-O 3.4Å; R358-L620 PolarHBondContact N-O 2.91Å; R596-L620 HydrophobicContact CG-CD1 3.94Å; G612-L620 VanDerWaalsContact CA-O 3.27Å; G612-L620 WeakPolarHBondContact CA-O 3.41Å; G613-L620 PolarHBondContact O-N 3.13Å; D615-L620 HydrophobicContact CB-CD1 4.24Å; D615-L620 HydrophobicContact CB-CD2 4.29Å; D615-L620 HydrophobicContact CB-CG 4.44Å
621	N	97.3	Very high	92.8	Very high	54 Å²	54	44.8 Å²	44.8	29%	0.289	24%	0.243	S	C	.	.			trans	-114.7	-0.6	164.6	66.1	-15.9	0	0	0	112.2	P353 M354 A357	P353-N621 CarbonylContact C-O 3.53Å; P353-N621 WeakPolarHBondContact CA-O 3.46Å; P353-N621 HydrophobicContact CB-CB 4.48Å; P353-N621 WeakPolarHBondContact CB-O 3.39Å; M354-N621 HydrophobicContact CB-CB 4.18Å; M354-N621 PolarHBondContact N-O 3.41Å; M354-N621 WeakPolarHBondContact O-CB 3.33Å; M354-N621 PolarHBondContact O-ND2 2.68Å; A357-N621 HydrophobicContact CB-CB 4.23Å
622	T	98.4	Very high	92.7	Very high	51 Å²	51	50.8 Å²	50.8	31%	0.313	27%	0.271	S	S	.	.			trans	-73.5	155.1	-178.2	60.7	0	0	0	0	111.7	R596 G612	R596-T622 PolarHBondContact NH1-O 2.96Å; R596-T622 PolarHBondContact NH1-OG1 3.43Å; R596-T622 VanDerWaalsContact NH1-OG1 3.13Å; R596-T622 PolarHBondContact NH2-OG1 2.87Å; G612-T622 PolarHBondContact N-O 2.94Å
623	V	98.4	Very high	92.7	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.4	173	61.9	0	0	0	0	109.4	M351 L370 W395 Y609 A610 V611	M351-V623 HydrophobicContact CB-CG1 3.61Å; M351-V623 HydrophobicContact CG-CG1 4.48Å; M351-V623 HydrophobicContact SD-CG1 4.14Å; L370-V623 HydrophobicContact CD2-CG2 4.35Å; W395-V623 HydrophobicContact CZ2-CB 4.41Å; Y609-V623 HydrophobicContact CD1-CG2 3.78Å; A610-V623 CarbonylContact O-C 3.58Å; A610-V623 WeakPolarHBondContact O-CA 3.32Å; V611-V623 HydrophobicContact CB-CB 4.28Å; V611-V623 HydrophobicContact CB-CG2 4.09Å; V611-V623 HydrophobicContact CG2-CB 4.08Å; V611-V623 HydrophobicContact CG2-CG2 4.35Å
624	E	98.4	Very high	92.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.1	174	59.9	-176.6	118.4	0	0	110.7	T593 S594 R596 Y609 A610 W633 S634 P635	T593-E624 WeakPolarHBondContact CB-OE2 3.4Å; T593-E624 PolarHBondContact N-OE2 3.34Å; T593-E624 PolarHBondContact OG1-OE1 3.07Å; T593-E624 PolarHBondContact OG1-OE2 3.34Å; S594-E624 PolarHBondContact N-OE1 2.65Å; R596-E624 IonicContact CZ-OE1 2.74Å; R596-E624 IonicContact NE-OE1 2.82Å; R596-E624 PolarHBondContact NE-OE1 3.05Å; R596-E624 IonicContact NH2-OE1 3.09Å; R596-E624 PolarHBondContact NH2-OE1 3.44Å; Y609-E624 WeakPolarHBondContact CA-O 3.45Å; A610-E624 HydrophobicContact CB-CG 3.98Å; A610-E624 PolarHBondContact N-O 3.3Å; A610-E624 PolarHBondContact O-N 3.17Å; E624-W633 HydrophobicContact CB-CE3 4.41Å; E624-W633 HydrophobicContact CG-CE3 3.76Å; E624-W633 HydrophobicContact CG-CZ3 4.13Å; E624-S634 WeakPolarHBondContact CA-O 3.41Å; E624-P635 HydrophobicContact CB-CB 4.4Å
625	V	98.3	Very high	92.7	Very high	20 Å²	20	53 Å²	53	12%	0.121	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.5	-176.9	-74.5	0	0	0	0	112.3	M351 T607 I608 Y609 W633 S634	M351-V625 HydrophobicContact CE-CB 4.26Å; M351-V625 HydrophobicContact CE-CG1 3.54Å; M351-V625 HydrophobicContact CE-CG2 3.69Å; M351-V625 HydrophobicContact SD-CG1 3.94Å; M351-V625 HydrophobicContact SD-CG2 4.33Å; T607-V625 HydrophobicContact CG2-CB 3.89Å; T607-V625 HydrophobicContact CG2-CG1 3.91Å; I608-V625 WeakPolarHBondContact O-CA 3.34Å; Y609-V625 HydrophobicContact CD1-CG1 3.34Å; Y609-V625 HydrophobicContact CD2-CG1 4.17Å; Y609-V625 HydrophobicContact CE1-CG1 3.03Å; Y609-V625 HydrophobicContact CE2-CG1 3.91Å; Y609-V625 HydrophobicContact CG-CG1 3.89Å; V625-W633 VanDerWaalsContact C-CE3 3.5Å; V625-W633 CarbonylContact O-C 3.55Å; V625-W633 VanDerWaalsContact O-CA 3.3Å; V625-W633 WeakPolarHBondContact O-CA 3.41Å; V625-S634 WeakPolarHBondContact CG2-O 3.11Å; V625-S634 PolarHBondContact N-O 2.98Å; V625-S634 PolarHBondContact O-N 3.49Å
626	Y	98.4	Very high	92.9	Very high	6 Å²	6	56.1 Å²	56.1	2%	0.024	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.7	173.7	-178.7	-114.4	0	0	0	111.3	F562 M589 I608 L628 N631 W633	F562-Y626 HydrophobicContact CD1-CE1 4.18Å; F562-Y626 AromaticContact CE1-CE1 3.68Å; F562-Y626 HydrophobicContact CE1-CE1 3.68Å; F562-Y626 HydrophobicContact CZ-CE1 4.32Å; M589-Y626 WeakPolarHBondContact CE-OH 3.41Å; I608-Y626 HydrophobicContact CD1-CD1 4.11Å; I608-Y626 PolarHBondContact O-N 3Å; Y626-L628 HydrophobicContact CE1-CB 4.27Å; Y626-L628 HydrophobicContact CE1-CD1 3.87Å; Y626-N631 PolarHBondContact OH-OD1 2.99Å; Y626-W633 AromaticContact CD2-CD1 3.61Å; Y626-W633 HydrophobicContact CD2-CD2 4.04Å; Y626-W633 AromaticContact CD2-CE2 3.62Å; Y626-W633 HydrophobicContact CD2-CG 4.07Å; Y626-W633 HydrophobicContact CD2-CZ2 4.21Å; Y626-W633 AromaticContact CD2-NE1 3.31Å; Y626-W633 VanDerWaalsContact CD2-NE1 3.31Å; Y626-W633 AromaticContact CE2-NE1 3.92Å; Y626-W633 HydrophobicContact CG-CD2 4.4Å; Y626-W633 AromaticContact CG-CE2 3.98Å; Y626-W633 HydrophobicContact CG-CZ2 4.16Å
627	N	95.9	Very high	93.6	Very high	77 Å²	77	55.4 Å²	55.4	41%	0.412	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.3	169.2	-175.6	-25.6	0	0	0	109.6	E629 S630 N631 E632	N627-E629 VanDerWaalsContact C-N 3.33Å; N627-E629 PolarHBondContact O-N 2.94Å; N627-E629 PolarHBondContact OD1-N 3.35Å; N627-S630 WeakPolarHBondContact CB-OG 3.47Å; N627-S630 VanDerWaalsContact CG-OG 3.32Å; N627-S630 PolarHBondContact OD1-N 2.77Å; N627-N631 WeakPolarHBondContact O-CA 3.34Å; N627-N631 PolarHBondContact O-N 3.11Å; N627-E632 PolarHBondContact N-O 2.94Å; N627-E632 PolarHBondContact O-N 3.3Å
628	L	93.4	Very high	94.2	Very high	64 Å²	64	55.5 Å²	55.5	34%	0.335	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-32.9	-177.8	-177.5	65.2	0	0	0	113.3	L557 N558 F562 Y626	L557-L628 HydrophobicContact CD2-CB 4.39Å; L557-L628 HydrophobicContact CD2-CD1 4.45Å; L557-L628 HydrophobicContact CD2-CD2 4.12Å; N558-L628 WeakPolarHBondContact ND2-CD2 3.36Å; F562-L628 HydrophobicContact CE1-CD1 4.32Å; F562-L628 HydrophobicContact CZ-CD1 3.76Å; Y626-L628 HydrophobicContact CE1-CB 4.27Å; Y626-L628 HydrophobicContact CE1-CD1 3.87Å
629	E	94	Very high	93.8	Very high	189 Å²	189	55.7 Å²	55.7	88%	0.883	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-43.3	-174.5	-64.5	172.9	178.7	0	0	111.4	N627	N627-E629 VanDerWaalsContact C-N 3.33Å; N627-E629 PolarHBondContact O-N 2.94Å; N627-E629 PolarHBondContact OD1-N 3.35Å
630	S	94.9	Very high	92.2	Very high	53 Å²	53	61.9 Å²	61.9	37%	0.371	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.8	175.7	62.6	0	0	0	0	113.3	N627 E632	N627-S630 WeakPolarHBondContact CB-OG 3.47Å; N627-S630 VanDerWaalsContact CG-OG 3.32Å; N627-S630 PolarHBondContact OD1-N 2.77Å; S630-E632 VanDerWaalsContact C-N 3.28Å; S630-E632 PolarHBondContact O-N 3.47Å
631	N	96.4	Very high	89.9	Confident	62 Å²	62	69 Å²	69	33%	0.332	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	43.3	-172.9	176	54.4	0	0	0	111.6	M589 G590 Y626 N627	M589-N631 WeakPolarHBondContact CB-OD1 3.41Å; M589-N631 WeakPolarHBondContact CE-OD1 3.37Å; G590-N631 WeakPolarHBondContact CA-O 3.49Å; G590-N631 PolarHBondContact N-ND2 2.98Å; G590-N631 PolarHBondContact N-OD1 2.99Å; Y626-N631 PolarHBondContact OH-OD1 2.99Å; N627-N631 WeakPolarHBondContact O-CA 3.34Å; N627-N631 PolarHBondContact O-N 3.11Å
632	E	96.4	Very high	87.2	Confident	126 Å²	126	79.2 Å²	79.2	59%	0.589	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.3	-177.6	-69.7	175.3	168.9	0	0	111.3	N627 S630	N627-E632 PolarHBondContact N-O 2.94Å; N627-E632 PolarHBondContact O-N 3.3Å; S630-E632 VanDerWaalsContact C-N 3.28Å; S630-E632 PolarHBondContact O-N 3.47Å
633	W	98.1	Very high	86.6	Confident	18 Å²	18	80.7 Å²	80.7	7%	0.068	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	143.8	170	-70.7	81.3	0	0	0	110.2	C564 V576 G590 M592 T593 I608 A610 E624 V625 Y626	C564-W633 HydrophobicContact CB-CZ2 4.45Å; V576-W633 HydrophobicContact CG2-CZ2 3.92Å; G590-W633 VanDerWaalsContact O-CD1 3.23Å; G590-W633 PolarHBondContact O-NE1 3.34Å; G590-W633 VanDerWaalsContact O-NE1 3.08Å; M592-W633 HydrophobicContact CB-CD2 4.35Å; M592-W633 HydrophobicContact CB-CG 4.4Å; M592-W633 HydrophobicContact CG-CD2 3.71Å; M592-W633 HydrophobicContact CG-CE3 4.07Å; M592-W633 HydrophobicContact CG-CG 4.19Å; M592-W633 HydrophobicContact CG-CH2 4.14Å; M592-W633 HydrophobicContact CG-CZ2 3.8Å; M592-W633 HydrophobicContact CG-CZ3 4.27Å; M592-W633 HydrophobicContact SD-CH2 4.34Å; M592-W633 HydrophobicContact SD-CZ2 4.42Å; T593-W633 HydrophobicContact CG2-CB 4.04Å; T593-W633 WeakPolarHBondContact CG2-O 3.37Å; I608-W633 HydrophobicContact CG2-CH2 3.9Å; A610-W633 HydrophobicContact CB-CE3 4.45Å; A610-W633 HydrophobicContact CB-CH2 3.87Å; A610-W633 HydrophobicContact CB-CZ3 3.52Å; E624-W633 HydrophobicContact CB-CE3 4.41Å; E624-W633 HydrophobicContact CG-CE3 3.76Å; E624-W633 HydrophobicContact CG-CZ3 4.13Å; V625-W633 VanDerWaalsContact C-CE3 3.5Å; V625-W633 CarbonylContact O-C 3.55Å; V625-W633 VanDerWaalsContact O-CA 3.3Å; V625-W633 WeakPolarHBondContact O-CA 3.41Å; Y626-W633 AromaticContact CD2-CD1 3.61Å; Y626-W633 HydrophobicContact CD2-CD2 4.04Å; Y626-W633 AromaticContact CD2-CE2 3.62Å; Y626-W633 HydrophobicContact CD2-CG 4.07Å; Y626-W633 HydrophobicContact CD2-CZ2 4.21Å; Y626-W633 AromaticContact CD2-NE1 3.31Å; Y626-W633 VanDerWaalsContact CD2-NE1 3.31Å; Y626-W633 AromaticContact CE2-NE1 3.92Å; Y626-W633 HydrophobicContact CG-CD2 4.4Å; Y626-W633 AromaticContact CG-CE2 3.98Å; Y626-W633 HydrophobicContact CG-CZ2 4.16Å
634	S	96.4	Very high	86	Confident	40 Å²	40	84.7 Å²	84.7	28%	0.28	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	134.1	175.1	-176.6	0	0	0	0	111	E624 V625 Y636	E624-S634 WeakPolarHBondContact CA-O 3.41Å; V625-S634 WeakPolarHBondContact CG2-O 3.11Å; V625-S634 PolarHBondContact N-O 2.98Å; V625-S634 PolarHBondContact O-N 3.49Å; S634-Y636 WeakPolarHBondContact OG-CB 3.5Å; S634-Y636 PolarHBondContact OG-N 3.04Å
635	P	94.7	Very high	85.3	Confident	41 Å²	41	89.4 Å²	89.4	27%	0.266	43%	0.431	S	S	.	.	S	Bend	trans	-82.9	3.4	167.1	35.3	-35.3	0	0	0	111.9	P350 M351 E624	P350-P635 CarbonylContact C-O 3.56Å; P350-P635 WeakPolarHBondContact CA-O 3.28Å; M351-P635 PolarHBondContact N-O 3.35Å; E624-P635 HydrophobicContact CB-CB 4.4Å
636	Y	92.5	Very high	84.6	Confident	111 Å²	111	93.5 Å²	93.5	44%	0.435	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	149.1	-178.2	-65.6	-101.1	0	0	0	112.1	E348 K349 P350 S634	E348-Y636 HydrophobicContact CB-CD1 4.35Å; K349-Y636 VanDerWaalsContact C-CD1 3.42Å; K349-Y636 CarbonylContact O-C 3.54Å; K349-Y636 VanDerWaalsContact O-CA 3.26Å; K349-Y636 WeakPolarHBondContact O-CA 3.46Å; P350-Y636 HydrophobicContact CG-CD1 4.15Å; P350-Y636 HydrophobicContact CG-CE1 3.68Å; S634-Y636 WeakPolarHBondContact OG-CB 3.5Å; S634-Y636 PolarHBondContact OG-N 3.04Å
637	T	89.7	Confident	83.7	Confident	23 Å²	23	98.9 Å²	98.9	14%	0.141	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.2	171.8	-168.3	0	0	0	0	111.1	E348 K349 M351 D393	E348-T637 WeakPolarHBondContact CA-O 3.4Å; K349-T637 HydrophobicContact CG-CG2 4.24Å; K349-T637 PolarHBondContact N-O 3.28Å; K349-T637 PolarHBondContact O-N 3.05Å; M351-T637 HydrophobicContact CG-CG2 3.9Å; D393-T637 HydrophobicContact CB-CG2 3.96Å
638	K	84.9	Confident	82.9	Confident	112 Å²	112	100.4 Å²	100.4	49%	0.487	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.7	178.1	-66.4	177.3	178.4	-177.5	0	109.5	L346 E348	L346-K638 HydrophobicContact CD2-CD 4.29Å; E348-K638 HydrophobicContact CG-CG 4.19Å
639	I	70.9	Confident	82.1	Confident	63 Å²	63	103 Å²	103	32%	0.323	49%	0.491	S	S	.	.			trans	-86.3	124.1	173.9	-72.3	-77.6	0	0	0	109.7	I347 K349 Q641	I347-I639 PolarHBondContact O-N 3.25Å; K349-I639 HydrophobicContact CD-CD1 4.1Å; K349-I639 HydrophobicContact CD-CG1 4Å; K349-I639 HydrophobicContact CG-CG1 4.01Å; I639-Q641 HydrophobicContact CG2-CG 4.33Å; I639-Q641 PolarHBondContact O-N 3.05Å
640	F	54.4	Low	81.2	Confident	166 Å²	166	96.4 Å²	96.4	73%	0.728	46%	0.461	S	S	*	.			trans	-78.9	108.3	163.5	-68.8	-82.3	0	0	0	108.2
641	Q	45.8	Very low	80.1	Confident	169 Å²	169	100 Å²	100	79%	0.79	47%	0.468	S	S	*	.			trans	-77.9	125.3	161	-78.9	-171.2	-9.9	0	0	108.1	I639	I639-Q641 HydrophobicContact CG2-CG 4.33Å; I639-Q641 PolarHBondContact O-N 3.05Å
642	F	40.9	Very low	78.6	Confident	269 Å²	269	103.5 Å²	103.5	100%	1.18	48%	0.481	S	S	*	.			trans	-88.2	0	167.3	-79	-77.8	0	0	0	110.7

Retrieved 642 of 642 residues in 169.6 ms (Link to these results)

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