A0A087XWH6_POEFO Loading...

DEAH (Asp-Glu-Ala-His) box polypeptide 32a

AlphaFold DB , UniProt , Accession A0A087XWH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 735 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	29	Very low	233 Å²	233	142.4 Å²	142.4	100%	1.148	79%	0.79	S	S	*	*				0	87.4	0	-68.5	179.3	-163.2	0	0	105.4
2	S	27.1	Very low	29	Very low	100 Å²	100	143.8 Å²	143.8	70%	0.699	79%	0.792	S	S	*	*				76.1	97.5	90.5	-54.7	0	0	0	0	110.1
3	I	29.8	Very low	29	Very low	143 Å²	143	146.8 Å²	146.8	73%	0.733	79%	0.793	S	S	*	*				90	122.1	108.2	-68.3	162.6	0	0	0	108.8
4	E	28.5	Very low	28.8	Very low	171 Å²	171	144.5 Å²	144.5	80%	0.799	79%	0.794	S	S	*	*				-175.1	113.8	73.8	-130.1	143.2	-134	0	0	106.5
5	S	29.6	Very low	29.1	Very low	89 Å²	89	147 Å²	147	62%	0.622	80%	0.797	S	S	*	*				54.2	117	91.7	67.3	0	0	0	0	116.5
6	N	26.7	Very low	29.1	Very low	161 Å²	161	144.8 Å²	144.8	86%	0.861	80%	0.796	S	S	*	*				-163.8	131	113.3	-99.4	-12.3	0	0	0	113.6
7	S	29.8	Very low	29.5	Very low	100 Å²	100	140.9 Å²	140.9	70%	0.699	80%	0.797	S	S	*	*			trans	-80.4	165.5	175.4	45	0	0	0	0	113.5
8	I	28.4	Very low	29.5	Very low	153 Å²	153	143.7 Å²	143.7	79%	0.785	80%	0.803	S	S	*	*			trans	171.9	105.2	138.2	-83.4	149.4	0	0	0	105.9
9	E	27.7	Very low	29.6	Very low	184 Å²	184	146.4 Å²	146.4	86%	0.86	81%	0.808	S	S	*	*				54.4	132.2	94	-84.3	-177.7	177.5	0	0	113.7
10	A	27.8	Very low	29.6	Very low	82 Å²	82	144.7 Å²	144.7	68%	0.678	81%	0.807	S	S	*	*			cis	-166.1	159.1	16.9	0	0	0	0	0	111.5
11	D	28.6	Very low	29.8	Very low	150 Å²	150	142.2 Å²	142.2	80%	0.802	80%	0.8	S	S	*	*			trans	33.8	137.9	142.2	-55.9	-27	0	0	0	120.8
12	I	28.1	Very low	29.6	Very low	160 Å²	160	136.3 Å²	136.3	82%	0.821	78%	0.781	S	S	*	*				-167.2	143.9	71.1	-76.6	162.1	0	0	0	110.9
13	F	29	Very low	30.1	Very low	182 Å²	182	139.5 Å²	139.5	80%	0.798	78%	0.783	S	S	*	*			trans	-30.9	145.3	168.5	-81	-103.8	0	0	0	120.1
14	S	26.2	Very low	30.5	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	79%	0.785	S	S	*	*				-164	124.3	115.3	60.3	0	0	0	0	112.1
15	E	34.5	Very low	31	Very low	182 Å²	182	136.3 Å²	136.3	85%	0.85	78%	0.782	S	S	*	*			trans	-63.9	135.9	164.6	-70.8	172.4	141.7	0	0	111.4
16	S	29	Very low	31.8	Very low	112 Å²	112	135.3 Å²	135.3	78%	0.783	79%	0.786	S	S	*	*			trans	-150.3	101.8	145.7	57.9	0	0	0	0	107.6
17	G	34.5	Very low	33.1	Very low	79 Å²	79	135.4 Å²	135.4	81%	0.814	79%	0.787	S	S	*	*			trans	-69.5	128.1	168.3	0	0	0	0	0	109.8
18	E	30.1	Very low	34.8	Very low	191 Å²	191	138.1 Å²	138.1	89%	0.893	79%	0.794	S	S	*	*			trans	-126.7	125.7	152.6	-77.5	-172.8	165.8	0	0	106.9	S20	E18-S20 PolarHBondContact O-N 3.26Å; E18-S20 VanDerWaalsContact O-N 3.12Å
19	E	31.6	Very low	37.2	Very low	195 Å²	195	135.9 Å²	135.9	91%	0.911	78%	0.782	S	S	*	*			trans	-57.9	109	-174.8	-66	173.1	150.1	0	0	110.5	S21	E19-S21 PolarHBondContact O-N 3.09Å
20	S	29.8	Very low	40.2	Very low	111 Å²	111	133 Å²	133	78%	0.776	77%	0.769	S	S	*	*			trans	-67.8	101.6	161	61.7	0	0	0	0	107.4	E18 S22	E18-S20 PolarHBondContact O-N 3.26Å; E18-S20 VanDerWaalsContact O-N 3.12Å; S20-S22 PolarHBondContact O-N 3.48Å
21	S	33.4	Very low	43.4	Very low	94 Å²	94	133.9 Å²	133.9	66%	0.657	76%	0.762	S	S	*	*			trans	-61.7	89	162.9	44.8	0	0	0	0	108.2	E19 F23	E19-S21 PolarHBondContact O-N 3.09Å; S21-F23 VanDerWaalsContact C-N 3.26Å; S21-F23 PolarHBondContact O-N 3.28Å
22	S	31.6	Very low	46.6	Very low	108 Å²	108	126.9 Å²	126.9	76%	0.755	72%	0.724	S	S	*	*			trans	-60.1	94	163.9	167.5	0	0	0	0	107.2	S20 G24	S20-S22 PolarHBondContact O-N 3.48Å; S22-G24 PolarHBondContact O-N 3.41Å; S22-G24 VanDerWaalsContact O-N 3.11Å
23	F	38.3	Very low	49.8	Very low	168 Å²	168	123.1 Å²	123.1	74%	0.737	71%	0.711	S	S	*	*			trans	-63.4	106.7	159.4	-79.3	-88	0	0	0	106.5	S21 F25	S21-F23 VanDerWaalsContact C-N 3.26Å; S21-F23 PolarHBondContact O-N 3.28Å; F23-F25 PolarHBondContact O-N 3.09Å
24	G	36.9	Very low	52.9	Low	75 Å²	75	116.4 Å²	116.4	77%	0.773	68%	0.681	S	S	*	*			trans	-66.6	98.8	173.4	0	0	0	0	0	109.6	S22 G26	S22-G24 PolarHBondContact O-N 3.41Å; S22-G24 VanDerWaalsContact O-N 3.11Å; G24-G26 PolarHBondContact O-N 3.05Å
25	F	40.3	Very low	56.2	Low	171 Å²	171	113.3 Å²	113.3	75%	0.75	66%	0.655	S	S	*	*			trans	-72.6	114.7	162.9	-83.5	-88.8	0	0	0	108.2	F23	F23-F25 PolarHBondContact O-N 3.09Å
26	G	45.8	Very low	59	Low	68 Å²	68	106.7 Å²	106.7	70%	0.701	64%	0.636	S	S	*	*			trans	-72.2	143.6	155.7	0	0	0	0	0	109.1	G24 D28	G24-G26 PolarHBondContact O-N 3.05Å; G26-D28 PolarHBondContact O-N 3.01Å
27	D	54.2	Low	62.1	Low	163 Å²	163	106.3 Å²	106.3	87%	0.872	63%	0.625	S	S	*	*	S	Bend	trans	-88.3	34.8	-153.5	-128.3	-2.4	0	0	0	115.6
28	D	65.6	Low	65	Low	158 Å²	158	105.7 Å²	105.7	85%	0.845	61%	0.606	S	S	*	*			trans	-135.9	101.3	172	-74.6	-42.8	0	0	0	109.7	G26	G26-D28 PolarHBondContact O-N 3.01Å
29	L	77.3	Confident	68.2	Low	105 Å²	105	97.5 Å²	97.5	55%	0.55	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-68.3	131.8	172.3	-67	170.9	0	0	0	109.4	L31 P38	L29-L31 PolarHBondContact O-N 3.41Å; L29-P38 HydrophobicContact CB-CB 3.88Å; L29-P38 HydrophobicContact CD1-CB 3.89Å; L29-P38 HydrophobicContact CD1-CG 4.44Å
30	E	91.6	Very high	71.3	Confident	125 Å²	125	90.1 Å²	90.1	58%	0.584	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-60.6	128	173.9	-171.3	173.4	-164	0	0	109.5	F39	E30-F39 HydrophobicContact CB-CD2 4.19Å; E30-F39 HydrophobicContact CG-CD2 4.13Å; E30-F39 HydrophobicContact CG-CE2 4.07Å; E30-F39 WeakPolarHBondContact O-CD2 3.42Å; E30-F39 PolarHBondContact O-N 3.07Å; E30-F39 VanDerWaalsContact O-N 3.15Å
31	L	94.9	Very high	74.3	Confident	100 Å²	100	89.2 Å²	89.2	52%	0.524	53%	0.531	S	S	.	.	B	Isolated β-bridge	trans	-87	136.5	179.2	-58.6	-179.9	0	0	0	109.6	L29 L37 P38	L29-L31 PolarHBondContact O-N 3.41Å; L31-L37 CarbonylContact C-O 3.54Å; L31-L37 WeakPolarHBondContact CA-O 3.41Å; L31-P38 HydrophobicContact CD2-CB 4.31Å; L31-P38 HydrophobicContact CD2-CG 3.83Å
32	N	95.9	Very high	77.2	Confident	2 Å²	2	90 Å²	90	1%	0.011	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-62.9	121.6	169.6	-177.8	-13.2	0	0	0	108.9	F34 D35 G36 L37 F39 M125 D126	N32-F34 PolarHBondContact O-N 3.13Å; N32-F34 WeakPolarHBondContact OD1-CD2 3.45Å; N32-F34 PolarHBondContact OD1-N 2.7Å; N32-F34 VanDerWaalsContact OD1-N 3.12Å; N32-D35 VanDerWaalsContact CB-OD1 3.26Å; N32-D35 WeakPolarHBondContact CB-OD1 3.39Å; N32-G36 WeakPolarHBondContact O-CA 3.46Å; N32-G36 PolarHBondContact O-N 3.43Å; N32-L37 WeakPolarHBondContact CB-O 3.35Å; N32-L37 PolarHBondContact N-O 3Å; N32-F39 VanDerWaalsContact CA-CZ 3.49Å; N32-F39 HydrophobicContact CB-CD1 3.84Å; N32-F39 HydrophobicContact CB-CE1 3.49Å; N32-F39 VanDerWaalsContact CB-CE1 3.49Å; N32-F39 HydrophobicContact CB-CE2 4.35Å; N32-F39 HydrophobicContact CB-CG 4.41Å; N32-F39 HydrophobicContact CB-CZ 3.79Å; N32-M125 PolarHBondContact ND2-O 2.99Å; N32-D126 PolarHBondContact ND2-O 3.27Å
33	P	94.9	Very high	80.2	Confident	82 Å²	82	86.5 Å²	86.5	53%	0.532	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.3	-172.6	33.7	-39.6	0	0	0	113.2	L95	P33-L95 HydrophobicContact CB-CD2 3.94Å; P33-L95 HydrophobicContact CG-CD2 4.11Å
34	F	94.9	Very high	83	Confident	40 Å²	40	82.6 Å²	82.6	18%	0.175	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-43	179.4	-62.8	-78.9	0	0	0	112.7	N32 A91 E92 L95 M125 V127 E132 V148	N32-F34 PolarHBondContact O-N 3.13Å; N32-F34 WeakPolarHBondContact OD1-CD2 3.45Å; N32-F34 PolarHBondContact OD1-N 2.7Å; N32-F34 VanDerWaalsContact OD1-N 3.12Å; F34-A91 HydrophobicContact CE1-CB 4.29Å; F34-A91 HydrophobicContact CZ-CB 4.33Å; F34-E92 HydrophobicContact CZ-CG 4.22Å; F34-L95 HydrophobicContact CD1-CD2 4.17Å; F34-L95 HydrophobicContact CE1-CB 4.36Å; F34-L95 HydrophobicContact CE1-CD2 3.83Å; F34-L95 HydrophobicContact CZ-CD2 4.04Å; F34-M125 HydrophobicContact CD1-CE 4.21Å; F34-M125 HydrophobicContact CD2-CE 3.65Å; F34-M125 HydrophobicContact CE1-CE 3.95Å; F34-M125 HydrophobicContact CE2-CE 3.36Å; F34-M125 HydrophobicContact CG-CE 4.08Å; F34-M125 HydrophobicContact CZ-CE 3.52Å; F34-V127 HydrophobicContact CB-CG1 4.43Å; F34-E132 HydrophobicContact CB-CB 4.45Å; F34-E132 HydrophobicContact CB-CG 3.98Å; F34-V148 HydrophobicContact CD1-CG2 4.02Å; F34-V148 HydrophobicContact CE1-CG2 4.23Å
35	D	93.9	Very high	85.7	Confident	50 Å²	50	84.8 Å²	84.8	27%	0.267	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-10.7	-178.1	71.5	-2.1	0	0	0	114.2	N32 L37	N32-D35 VanDerWaalsContact CB-OD1 3.26Å; N32-D35 WeakPolarHBondContact CB-OD1 3.39Å; D35-L37 VanDerWaalsContact C-N 3.3Å; D35-L37 PolarHBondContact O-N 2.91Å; D35-L37 WeakPolarHBondContact OD1-CB 3.35Å; D35-L37 PolarHBondContact OD1-N 3.38Å
36	G	93.7	Very high	88.2	Confident	44 Å²	44	77.6 Å²	77.6	45%	0.454	43%	0.431	S	S	.	.			trans	76.2	9.1	-178.9	0	0	0	0	0	115.1	N32	N32-G36 WeakPolarHBondContact O-CA 3.46Å; N32-G36 PolarHBondContact O-N 3.43Å
37	L	94.7	Very high	90.5	Very high	103 Å²	103	75 Å²	75	54%	0.539	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-92.6	154	179.4	-60.1	-178.5	0	0	0	111.6	L31 N32 D35 F39	L31-L37 CarbonylContact C-O 3.54Å; L31-L37 WeakPolarHBondContact CA-O 3.41Å; N32-L37 WeakPolarHBondContact CB-O 3.35Å; N32-L37 PolarHBondContact N-O 3Å; D35-L37 VanDerWaalsContact C-N 3.3Å; D35-L37 PolarHBondContact O-N 2.91Å; D35-L37 WeakPolarHBondContact OD1-CB 3.35Å; D35-L37 PolarHBondContact OD1-N 3.38Å; L37-F39 PolarHBondContact O-N 3.01Å
38	P	96.5	Very high	92.4	Very high	66 Å²	66	74.3 Å²	74.3	43%	0.429	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-62.8	135.9	173.4	-20.7	32.5	0	0	0	111.9	L29 L31	L29-P38 HydrophobicContact CB-CB 3.88Å; L29-P38 HydrophobicContact CD1-CB 3.89Å; L29-P38 HydrophobicContact CD1-CG 4.44Å; L31-P38 HydrophobicContact CD2-CB 4.31Å; L31-P38 HydrophobicContact CD2-CG 3.83Å
39	F	96.3	Very high	93.7	Very high	20 Å²	20	73 Å²	73	9%	0.088	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-58.9	138	174.9	-74.8	-63.5	0	0	0	112.5	E30 N32 L37 Y43 Y44 D126	E30-F39 HydrophobicContact CB-CD2 4.19Å; E30-F39 HydrophobicContact CG-CD2 4.13Å; E30-F39 HydrophobicContact CG-CE2 4.07Å; E30-F39 WeakPolarHBondContact O-CD2 3.42Å; E30-F39 PolarHBondContact O-N 3.07Å; E30-F39 VanDerWaalsContact O-N 3.15Å; N32-F39 VanDerWaalsContact CA-CZ 3.49Å; N32-F39 HydrophobicContact CB-CD1 3.84Å; N32-F39 HydrophobicContact CB-CE1 3.49Å; N32-F39 VanDerWaalsContact CB-CE1 3.49Å; N32-F39 HydrophobicContact CB-CE2 4.35Å; N32-F39 HydrophobicContact CB-CG 4.41Å; N32-F39 HydrophobicContact CB-CZ 3.79Å; L37-F39 PolarHBondContact O-N 3.01Å; F39-Y43 HydrophobicContact CB-CD1 3.62Å; F39-Y43 HydrophobicContact CB-CE1 4.17Å; F39-Y43 HydrophobicContact CB-CG 4.13Å; F39-Y43 AromaticContact CD1-CD1 3.47Å; F39-Y43 HydrophobicContact CD1-CD1 3.47Å; F39-Y43 VanDerWaalsContact CD1-CD1 3.47Å; F39-Y43 AromaticContact CD1-CD2 3.72Å; F39-Y43 HydrophobicContact CD1-CD2 3.72Å; F39-Y43 AromaticContact CD1-CE1 3.6Å; F39-Y43 HydrophobicContact CD1-CE1 3.6Å; F39-Y43 AromaticContact CD1-CE2 3.87Å; F39-Y43 HydrophobicContact CD1-CE2 3.87Å; F39-Y43 AromaticContact CD1-CG 3.5Å; F39-Y43 HydrophobicContact CD1-CG 3.5Å; F39-Y43 AromaticContact CD1-CZ 3.8Å; F39-Y43 HydrophobicContact CD2-CD1 4.17Å; F39-Y43 AromaticContact CD2-CE1 3.83Å; F39-Y43 HydrophobicContact CD2-CE1 3.83Å; F39-Y43 HydrophobicContact CE1-CD1 4.1Å; F39-Y43 AromaticContact CE1-CD2 3.86Å; F39-Y43 HydrophobicContact CE1-CD2 3.86Å; F39-Y43 AromaticContact CE1-CE1 3.8Å; F39-Y43 HydrophobicContact CE1-CE1 3.8Å; F39-Y43 AromaticContact CE1-CE2 3.57Å; F39-Y43 HydrophobicContact CE1-CE2 3.57Å; F39-Y43 HydrophobicContact CE1-CG 4.1Å; F39-Y43 AromaticContact CE1-CZ 3.52Å; F39-Y43 HydrophobicContact CE2-CE1 4.02Å; F39-Y43 AromaticContact CG-CD1 3.5Å; F39-Y43 HydrophobicContact CG-CD1 3.5Å; F39-Y43 VanDerWaalsContact CG-CD1 3.5Å; F39-Y43 AromaticContact CG-CE1 3.61Å; F39-Y43 HydrophobicContact CG-CE1 3.61Å; F39-Y43 AromaticContact CG-CG 4Å; F39-Y43 HydrophobicContact CG-CG 4Å; F39-Y43 AromaticContact CZ-CE1 3.99Å; F39-Y43 HydrophobicContact CZ-CE1 3.99Å; F39-Y43 HydrophobicContact CZ-CE2 4.17Å; F39-Y43 AromaticContact CZ-CZ 3.7Å; F39-Y44 HydrophobicContact CB-CE2 3.74Å; F39-D126 WeakPolarHBondContact CA-OD2 3.38Å; F39-D126 HydrophobicContact CD1-CB 4.1Å
40	S	96.2	Very high	94.4	Very high	40 Å²	40	68.3 Å²	68.3	28%	0.28	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-74	163.4	177.6	80.5	0	0	0	0	112.2	R42 Y43 Y44 D126	S40-R42 PolarHBondContact O-N 3.42Å; S40-R42 PolarHBondContact OG-N 3.45Å; S40-Y43 WeakPolarHBondContact O-CB 3.48Å; S40-Y43 PolarHBondContact O-N 2.96Å; S40-Y43 PolarHBondContact OG-N 2.72Å; S40-Y43 VanDerWaalsContact OG-N 3.16Å; S40-Y44 WeakPolarHBondContact O-CD2 3.32Å; S40-D126 WeakPolarHBondContact CB-OD1 3.49Å; S40-D126 VanDerWaalsContact CB-OD2 3.32Å; S40-D126 WeakPolarHBondContact CB-OD2 3.33Å; S40-D126 PolarHBondContact N-OD2 2.89Å; S40-D126 VanDerWaalsContact OG-CG 3.26Å; S40-D126 PolarHBondContact OG-OD1 3.35Å; S40-D126 PolarHBondContact OG-OD2 2.58Å
41	S	94.3	Very high	94.6	Very high	91 Å²	91	69.3 Å²	69.3	64%	0.636	35%	0.353	S	S	*	.	H	α-helix	trans	-62.4	-33.5	172.2	58.2	0	0	0	0	112.2	Y43 Y44 E45	S41-Y43 VanDerWaalsContact C-N 3.34Å; S41-Y43 PolarHBondContact O-N 3.15Å; S41-Y44 PolarHBondContact O-N 3.4Å; S41-E45 PolarHBondContact O-N 2.97Å
42	R	93.3	Very high	94.4	Very high	112 Å²	112	68.4 Å²	68.4	42%	0.423	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-38.9	179.1	-175.9	179.3	177.9	101.8	1.1	111.3	S40 Y44 E45 L46 D123	S40-R42 PolarHBondContact O-N 3.42Å; S40-R42 PolarHBondContact OG-N 3.45Å; R42-Y44 PolarHBondContact O-N 3.05Å; R42-E45 PolarHBondContact O-N 3.11Å; R42-L46 HydrophobicContact CG-CD1 4.25Å; R42-L46 HydrophobicContact CG-CG 4.5Å; R42-L46 WeakPolarHBondContact O-CG 3.45Å; R42-L46 PolarHBondContact O-N 3.14Å; R42-D123 WeakPolarHBondContact CD-OD1 3.43Å; R42-D123 IonicContact CZ-OD1 3.14Å; R42-D123 IonicContact CZ-OD2 2.85Å; R42-D123 VanDerWaalsContact CZ-OD2 3.31Å; R42-D123 VanDerWaalsContact NE-CG 3.33Å; R42-D123 IonicContact NE-OD1 2.62Å; R42-D123 PolarHBondContact NE-OD1 3.36Å; R42-D123 IonicContact NE-OD2 2.8Å; R42-D123 PolarHBondContact NE-OD2 2.97Å; R42-D123 VanDerWaalsContact NE-OD2 3.1Å; R42-D123 IonicContact NH2-OD1 3.16Å; R42-D123 IonicContact NH2-OD2 2.67Å; R42-D123 PolarHBondContact NH2-OD2 3.23Å
43	Y	95.6	Very high	94.2	Very high	33 Å²	33	70.4 Å²	70.4	13%	0.129	37%	0.37	C	S	.	.	H	α-helix	trans	-53.7	-50.8	173.4	170.1	-102.9	0	0	0	111.9	F39 S40 S41 E45 L46 L47 E124 D126	F39-Y43 HydrophobicContact CB-CD1 3.62Å; F39-Y43 HydrophobicContact CB-CE1 4.17Å; F39-Y43 HydrophobicContact CB-CG 4.13Å; F39-Y43 AromaticContact CD1-CD1 3.47Å; F39-Y43 HydrophobicContact CD1-CD1 3.47Å; F39-Y43 VanDerWaalsContact CD1-CD1 3.47Å; F39-Y43 AromaticContact CD1-CD2 3.72Å; F39-Y43 HydrophobicContact CD1-CD2 3.72Å; F39-Y43 AromaticContact CD1-CE1 3.6Å; F39-Y43 HydrophobicContact CD1-CE1 3.6Å; F39-Y43 AromaticContact CD1-CE2 3.87Å; F39-Y43 HydrophobicContact CD1-CE2 3.87Å; F39-Y43 AromaticContact CD1-CG 3.5Å; F39-Y43 HydrophobicContact CD1-CG 3.5Å; F39-Y43 AromaticContact CD1-CZ 3.8Å; F39-Y43 HydrophobicContact CD2-CD1 4.17Å; F39-Y43 AromaticContact CD2-CE1 3.83Å; F39-Y43 HydrophobicContact CD2-CE1 3.83Å; F39-Y43 HydrophobicContact CE1-CD1 4.1Å; F39-Y43 AromaticContact CE1-CD2 3.86Å; F39-Y43 HydrophobicContact CE1-CD2 3.86Å; F39-Y43 AromaticContact CE1-CE1 3.8Å; F39-Y43 HydrophobicContact CE1-CE1 3.8Å; F39-Y43 AromaticContact CE1-CE2 3.57Å; F39-Y43 HydrophobicContact CE1-CE2 3.57Å; F39-Y43 HydrophobicContact CE1-CG 4.1Å; F39-Y43 AromaticContact CE1-CZ 3.52Å; F39-Y43 HydrophobicContact CE2-CE1 4.02Å; F39-Y43 AromaticContact CG-CD1 3.5Å; F39-Y43 HydrophobicContact CG-CD1 3.5Å; F39-Y43 VanDerWaalsContact CG-CD1 3.5Å; F39-Y43 AromaticContact CG-CE1 3.61Å; F39-Y43 HydrophobicContact CG-CE1 3.61Å; F39-Y43 AromaticContact CG-CG 4Å; F39-Y43 HydrophobicContact CG-CG 4Å; F39-Y43 AromaticContact CZ-CE1 3.99Å; F39-Y43 HydrophobicContact CZ-CE1 3.99Å; F39-Y43 HydrophobicContact CZ-CE2 4.17Å; F39-Y43 AromaticContact CZ-CZ 3.7Å; S40-Y43 WeakPolarHBondContact O-CB 3.48Å; S40-Y43 PolarHBondContact O-N 2.96Å; S40-Y43 PolarHBondContact OG-N 2.72Å; S40-Y43 VanDerWaalsContact OG-N 3.16Å; S41-Y43 VanDerWaalsContact C-N 3.34Å; S41-Y43 PolarHBondContact O-N 3.15Å; Y43-E45 PolarHBondContact O-N 3.18Å; Y43-L46 PolarHBondContact O-N 2.87Å; Y43-L47 HydrophobicContact CE1-CD2 3.94Å; Y43-L47 VanDerWaalsContact O-CB 3.31Å; Y43-L47 WeakPolarHBondContact O-CB 3.47Å; Y43-L47 PolarHBondContact O-N 2.74Å; Y43-E124 WeakPolarHBondContact CD2-O 3.38Å; Y43-D126 HydrophobicContact CD2-CB 3.97Å; Y43-D126 HydrophobicContact CG-CB 4.22Å
44	Y	95.4	Very high	94	Very high	87 Å²	87	67.9 Å²	67.9	34%	0.341	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-37.7	-178.4	-66.5	-73.5	0	0	0	112.4	F39 S40 S41 R42 L47 E48	F39-Y44 HydrophobicContact CB-CE2 3.74Å; S40-Y44 WeakPolarHBondContact O-CD2 3.32Å; S41-Y44 PolarHBondContact O-N 3.4Å; R42-Y44 PolarHBondContact O-N 3.05Å; Y44-L47 PolarHBondContact O-N 3.01Å; Y44-E48 PolarHBondContact O-N 2.87Å; Y44-E48 VanDerWaalsContact O-N 3.11Å
45	E	93.9	Very high	94	Very high	120 Å²	120	66 Å²	66	56%	0.561	35%	0.345	S	S	*	.	H	α-helix	trans	-61.4	-43.4	173.7	-70	175.6	-166.5	0	0	112.2	S41 R42 Y43	S41-E45 PolarHBondContact O-N 2.97Å; R42-E45 PolarHBondContact O-N 3.11Å; Y43-E45 PolarHBondContact O-N 3.18Å
46	L	93.2	Very high	94.1	Very high	20 Å²	20	66 Å²	66	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-69.2	-40.1	176.5	-68	177.5	0	0	0	111.3	R42 Y43 E48 K49 R50 D123 E124	R42-L46 HydrophobicContact CG-CD1 4.25Å; R42-L46 HydrophobicContact CG-CG 4.5Å; R42-L46 WeakPolarHBondContact O-CG 3.45Å; R42-L46 PolarHBondContact O-N 3.14Å; Y43-L46 PolarHBondContact O-N 2.87Å; L46-E48 VanDerWaalsContact C-N 3.3Å; L46-E48 PolarHBondContact O-N 3.35Å; L46-K49 WeakPolarHBondContact O-CB 3.32Å; L46-K49 PolarHBondContact O-N 2.93Å; L46-K49 VanDerWaalsContact O-N 3.07Å; L46-R50 WeakPolarHBondContact O-CG 3.37Å; L46-R50 PolarHBondContact O-N 2.79Å; L46-D123 HydrophobicContact CD1-CB 4.48Å; L46-E124 HydrophobicContact CD1-CG 4.5Å
47	L	94.8	Very high	94.1	Very high	15 Å²	15	71.7 Å²	71.7	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-39	178.5	-176.7	61.5	0	0	0	112.3	Y43 Y44 R50 R51 W56	Y43-L47 HydrophobicContact CE1-CD2 3.94Å; Y43-L47 VanDerWaalsContact O-CB 3.31Å; Y43-L47 WeakPolarHBondContact O-CB 3.47Å; Y43-L47 PolarHBondContact O-N 2.74Å; Y44-L47 PolarHBondContact O-N 3.01Å; L47-R50 PolarHBondContact O-N 3.47Å; L47-R51 WeakPolarHBondContact O-CB 3.39Å; L47-R51 VanDerWaalsContact O-CG 3.27Å; L47-R51 WeakPolarHBondContact O-CG 3.41Å; L47-R51 PolarHBondContact O-N 3.19Å; L47-W56 HydrophobicContact CD1-CH2 3.84Å; L47-W56 HydrophobicContact CD1-CZ2 4.41Å
48	E	94.5	Very high	94.1	Very high	147 Å²	147	68 Å²	68	69%	0.687	34%	0.335	S	S	*	.	H	α-helix	trans	-61.7	-43.2	173.8	-73.6	-170.7	167.6	0	0	112.1	Y44 L46 R51	Y44-E48 PolarHBondContact O-N 2.87Å; Y44-E48 VanDerWaalsContact O-N 3.11Å; L46-E48 VanDerWaalsContact C-N 3.3Å; L46-E48 PolarHBondContact O-N 3.35Å; E48-R51 PolarHBondContact O-N 3.05Å
49	K	91.3	Very high	94.1	Very high	130 Å²	130	67.4 Å²	67.4	57%	0.565	32%	0.324	S	S	*	.	H	α-helix	trans	-65.1	-43.3	176.3	-64.2	176.8	-175.8	174.7	0	111.6	L46 R51 A52	L46-K49 WeakPolarHBondContact O-CB 3.32Å; L46-K49 PolarHBondContact O-N 2.93Å; L46-K49 VanDerWaalsContact O-N 3.07Å; K49-R51 VanDerWaalsContact C-N 3.33Å; K49-R51 PolarHBondContact O-N 3.08Å; K49-A52 WeakPolarHBondContact O-CB 3.44Å; K49-A52 PolarHBondContact O-N 3.26Å; K49-A52 VanDerWaalsContact O-N 3.09Å
50	R	93.3	Very high	94.2	Very high	7 Å²	7	76 Å²	76	3%	0.026	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-40.9	178.7	-69.6	163.9	60.1	-170.1	1	112.1	L46 L47 A52 L53 W56 Q85 E124	L46-R50 WeakPolarHBondContact O-CG 3.37Å; L46-R50 PolarHBondContact O-N 2.79Å; L47-R50 PolarHBondContact O-N 3.47Å; R50-A52 PolarHBondContact O-N 3.17Å; R50-L53 VanDerWaalsContact O-CB 3.27Å; R50-L53 WeakPolarHBondContact O-CB 3.48Å; R50-L53 WeakPolarHBondContact O-CG 3.45Å; R50-L53 PolarHBondContact O-N 3.39Å; R50-W56 HydrophobicContact CB-CE3 4.3Å; R50-W56 HydrophobicContact CB-CZ3 4.01Å; R50-Q85 VanDerWaalsContact NH2-OE1 3.13Å; R50-E124 VanDerWaalsContact CD-CD 3.46Å; R50-E124 HydrophobicContact CG-CG 4.49Å; R50-E124 VanDerWaalsContact CG-OE1 3.28Å; R50-E124 WeakPolarHBondContact CG-OE1 3.4Å; R50-E124 IonicContact NE-OE2 2.69Å; R50-E124 PolarHBondContact NE-OE2 3.07Å; R50-E124 PolarHBondContact NH1-O 3.04Å
51	R	94.9	Very high	94.3	Very high	147 Å²	147	79 Å²	79	56%	0.555	37%	0.366	S	S	*	.	H	α-helix	trans	-62.5	-22.6	176	-75.8	171.5	178.1	-176.8	2.2	113.8	L47 E48 K49 L53 W56	L47-R51 WeakPolarHBondContact O-CB 3.39Å; L47-R51 VanDerWaalsContact O-CG 3.27Å; L47-R51 WeakPolarHBondContact O-CG 3.41Å; L47-R51 PolarHBondContact O-N 3.19Å; E48-R51 PolarHBondContact O-N 3.05Å; K49-R51 VanDerWaalsContact C-N 3.33Å; K49-R51 PolarHBondContact O-N 3.08Å; R51-L53 VanDerWaalsContact C-N 3.35Å; R51-W56 HydrophobicContact CB-CD2 4.46Å; R51-W56 HydrophobicContact CG-CD2 4.08Å; R51-W56 HydrophobicContact CG-CH2 4.3Å; R51-W56 HydrophobicContact CG-CZ2 3.72Å
52	A	91.4	Very high	94.4	Very high	80 Å²	80	74.9 Å²	74.9	66%	0.661	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-13.1	176.1	0	0	0	0	0	113.4	K49 R50	K49-A52 WeakPolarHBondContact O-CB 3.44Å; K49-A52 PolarHBondContact O-N 3.26Å; K49-A52 VanDerWaalsContact O-N 3.09Å; R50-A52 PolarHBondContact O-N 3.17Å
53	L	90.9	Very high	94.6	Very high	45 Å²	45	72.2 Å²	72.2	24%	0.236	33%	0.329	C	S	.	.	S	Bend	trans	-67.1	144.9	-178.6	-65.1	170.9	0	0	0	111.7	R50 R51 V55 W56 Q85	R50-L53 VanDerWaalsContact O-CB 3.27Å; R50-L53 WeakPolarHBondContact O-CB 3.48Å; R50-L53 WeakPolarHBondContact O-CG 3.45Å; R50-L53 PolarHBondContact O-N 3.39Å; R51-L53 VanDerWaalsContact C-N 3.35Å; L53-V55 VanDerWaalsContact C-N 3.28Å; L53-V55 HydrophobicContact CB-CG1 4.23Å; L53-V55 PolarHBondContact O-N 2.94Å; L53-W56 WeakPolarHBondContact O-CB 3.2Å; L53-W56 PolarHBondContact O-N 3.38Å; L53-W56 VanDerWaalsContact O-N 3.09Å; L53-Q85 HydrophobicContact CD1-CG 3.92Å
54	P	91.3	Very high	94.8	Very high	28 Å²	28	75.2 Å²	75.2	18%	0.182	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-53.6	-41.2	178.3	-28.5	35.4	0	0	0	114.1	W56 K57 T80 I230	P54-W56 PolarHBondContact O-N 3.1Å; P54-K57 WeakPolarHBondContact O-CB 3.17Å; P54-K57 PolarHBondContact O-N 3.48Å; P54-T80 HydrophobicContact CB-CG2 4.32Å; P54-T80 WeakPolarHBondContact CD-O 3.46Å; P54-I230 HydrophobicContact CG-CG1 4.4Å
55	V	94.4	Very high	94.9	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.006	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-58.7	-31.2	-179.7	73.1	0	0	0	0	112.5	L53 K57 V58 T80 Q85 I86 W89 L228	L53-V55 VanDerWaalsContact C-N 3.28Å; L53-V55 HydrophobicContact CB-CG1 4.23Å; L53-V55 PolarHBondContact O-N 2.94Å; V55-K57 PolarHBondContact O-N 3.16Å; V55-K57 VanDerWaalsContact O-N 3.14Å; V55-V58 HydrophobicContact CG2-CG2 4.41Å; V55-V58 WeakPolarHBondContact O-CG2 3.39Å; V55-V58 PolarHBondContact O-N 3.08Å; V55-T80 VanDerWaalsContact CB-O 3.29Å; V55-T80 WeakPolarHBondContact CB-O 3.39Å; V55-T80 WeakPolarHBondContact CG1-O 3.36Å; V55-T80 PolarHBondContact N-O 3.23Å; V55-Q85 HydrophobicContact CG1-CB 3.79Å; V55-Q85 HydrophobicContact CG1-CG 3.67Å; V55-I86 HydrophobicContact CG2-CD1 4.23Å; V55-I86 HydrophobicContact CG2-CG1 4.12Å; V55-W89 HydrophobicContact CB-CH2 4.33Å; V55-W89 HydrophobicContact CG1-CH2 4.03Å; V55-W89 HydrophobicContact CG2-CH2 3.74Å; V55-W89 HydrophobicContact CG2-CZ3 3.83Å; V55-W89 WeakPolarHBondContact O-CH2 3.25Å; V55-L228 HydrophobicContact CB-CD1 4.15Å; V55-L228 HydrophobicContact CB-CD2 4.34Å; V55-L228 HydrophobicContact CG2-CD1 3.96Å; V55-L228 HydrophobicContact CG2-CD2 4.13Å
56	W	95.3	Very high	95.1	Very high	51 Å²	51	66.1 Å²	66.1	19%	0.193	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-61.8	-29.1	-177.1	-157.2	-83.4	0	0	0	112.7	L47 R50 R51 L53 P54 V58 R59 W89	L47-W56 HydrophobicContact CD1-CH2 3.84Å; L47-W56 HydrophobicContact CD1-CZ2 4.41Å; R50-W56 HydrophobicContact CB-CE3 4.3Å; R50-W56 HydrophobicContact CB-CZ3 4.01Å; R51-W56 HydrophobicContact CB-CD2 4.46Å; R51-W56 HydrophobicContact CG-CD2 4.08Å; R51-W56 HydrophobicContact CG-CH2 4.3Å; R51-W56 HydrophobicContact CG-CZ2 3.72Å; L53-W56 WeakPolarHBondContact O-CB 3.2Å; L53-W56 PolarHBondContact O-N 3.38Å; L53-W56 VanDerWaalsContact O-N 3.09Å; P54-W56 PolarHBondContact O-N 3.1Å; W56-V58 PolarHBondContact O-N 3.46Å; W56-R59 WeakPolarHBondContact O-CB 3.46Å; W56-R59 PolarHBondContact O-N 3.15Å; W56-W89 HydrophobicContact CD2-CZ2 4.41Å; W56-W89 AromaticContact CE3-CZ2 3.98Å; W56-W89 HydrophobicContact CE3-CZ2 3.98Å; W56-W89 HydrophobicContact CZ3-CZ2 4.37Å
57	K	94.6	Very high	95.2	Very high	163 Å²	163	70.6 Å²	70.6	71%	0.709	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-65.1	-27	178.7	-63	177.9	-176.7	172.2	0	112.9	P54 V55	P54-K57 WeakPolarHBondContact O-CB 3.17Å; P54-K57 PolarHBondContact O-N 3.48Å; V55-K57 PolarHBondContact O-N 3.16Å; V55-K57 VanDerWaalsContact O-N 3.14Å
58	V	95.4	Very high	95.3	Very high	25 Å²	25	75.7 Å²	75.7	15%	0.152	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-103.5	6.9	-177.6	-57.6	0	0	0	0	113.1	V55 W56 R60 Q61 F62 I226 L228	V55-V58 HydrophobicContact CG2-CG2 4.41Å; V55-V58 WeakPolarHBondContact O-CG2 3.39Å; V55-V58 PolarHBondContact O-N 3.08Å; W56-V58 PolarHBondContact O-N 3.46Å; V58-R60 PolarHBondContact O-N 3.18Å; V58-Q61 WeakPolarHBondContact O-CB 3.5Å; V58-Q61 PolarHBondContact O-N 3.14Å; V58-F62 PolarHBondContact O-N 2.96Å; V58-I226 HydrophobicContact CB-CG2 4.06Å; V58-I226 HydrophobicContact CG1-CG2 4.36Å; V58-I226 HydrophobicContact CG2-CG2 3.91Å; V58-L228 HydrophobicContact CB-CD2 4.43Å; V58-L228 HydrophobicContact CG1-CD2 4.28Å; V58-L228 HydrophobicContact CG2-CD2 3.32Å
59	R	96.9	Very high	95.5	Very high	53 Å²	53	71.5 Å²	71.5	20%	0.2	34%	0.34	C	S	.	.	H	α-helix	trans	-49.6	-51.6	-176	179	175	167.2	151.7	7.5	113.3	W56 Q61 F62 E63 W89 E92	W56-R59 WeakPolarHBondContact O-CB 3.46Å; W56-R59 PolarHBondContact O-N 3.15Å; R59-Q61 PolarHBondContact O-N 3.48Å; R59-F62 WeakPolarHBondContact O-CB 3.31Å; R59-F62 PolarHBondContact O-N 3.13Å; R59-F62 VanDerWaalsContact O-N 3.13Å; R59-E63 HydrophobicContact CG-CG 4.45Å; R59-E63 IonicContact CZ-OE1 3.65Å; R59-E63 IonicContact NE-OE1 3.16Å; R59-E63 PolarHBondContact NE-OE1 2.98Å; R59-E63 IonicContact NH2-OE1 3.76Å; R59-E63 PolarHBondContact NH2-OE1 3.32Å; R59-E63 WeakPolarHBondContact O-CG 3.39Å; R59-E63 PolarHBondContact O-N 3.06Å; R59-W89 HydrophobicContact CB-CH2 3.74Å; R59-W89 HydrophobicContact CB-CZ2 3.88Å; R59-W89 HydrophobicContact CB-CZ3 4.12Å; R59-W89 HydrophobicContact CG-CD2 4.03Å; R59-W89 HydrophobicContact CG-CE3 4.25Å; R59-W89 HydrophobicContact CG-CH2 4.08Å; R59-W89 HydrophobicContact CG-CZ2 3.87Å; R59-W89 HydrophobicContact CG-CZ3 4.27Å; R59-E92 IonicContact CZ-OE2 3.54Å; R59-E92 IonicContact NH1-OE2 3.49Å; R59-E92 IonicContact NH2-OE2 2.75Å; R59-E92 PolarHBondContact NH2-OE2 2.86Å
60	R	97.1	Very high	95.7	Very high	201 Å²	201	68.3 Å²	68.3	76%	0.758	33%	0.327	S	S	*	.	H	α-helix	trans	-61.7	-42.3	178.7	-70	-175.3	-178.9	166.1	0.5	112.8	V58 F62 E63 D64	V58-R60 PolarHBondContact O-N 3.18Å; R60-F62 VanDerWaalsContact C-N 3.25Å; R60-F62 PolarHBondContact O-N 3.29Å; R60-E63 PolarHBondContact O-N 2.91Å; R60-D64 WeakPolarHBondContact O-CB 3.45Å; R60-D64 VanDerWaalsContact O-CG 3.22Å; R60-D64 PolarHBondContact O-N 3.48Å
61	Q	97.7	Very high	95.9	Very high	104 Å²	104	68.6 Å²	68.6	49%	0.486	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-37.6	176.8	-179.3	-174.9	0.9	0	0	111.2	V58 R59 A65 I226	V58-Q61 WeakPolarHBondContact O-CB 3.5Å; V58-Q61 PolarHBondContact O-N 3.14Å; R59-Q61 PolarHBondContact O-N 3.48Å; Q61-A65 VanDerWaalsContact O-CB 3.28Å; Q61-A65 WeakPolarHBondContact O-CB 3.49Å; Q61-A65 PolarHBondContact O-N 2.81Å; Q61-I226 HydrophobicContact CG-CD1 4.19Å; Q61-I226 HydrophobicContact CG-CG1 4.35Å
62	F	98.1	Very high	96.1	Very high	3 Å²	3	61.6 Å²	61.6	1%	0.013	30%	0.303	C	S	.	.	H	α-helix	trans	-68.4	-48.5	175.7	173.2	-95.4	0	0	0	112.3	V58 R59 R60 D64 A65 L66 V72 V74 I86 W89 V205 I226	V58-F62 PolarHBondContact O-N 2.96Å; R59-F62 WeakPolarHBondContact O-CB 3.31Å; R59-F62 PolarHBondContact O-N 3.13Å; R59-F62 VanDerWaalsContact O-N 3.13Å; R60-F62 VanDerWaalsContact C-N 3.25Å; R60-F62 PolarHBondContact O-N 3.29Å; F62-D64 PolarHBondContact O-N 2.92Å; F62-A65 PolarHBondContact O-N 3.05Å; F62-A65 VanDerWaalsContact O-N 3.13Å; F62-L66 HydrophobicContact CE1-CD2 4.02Å; F62-L66 HydrophobicContact CZ-CD2 4.12Å; F62-L66 WeakPolarHBondContact O-CB 3.36Å; F62-L66 PolarHBondContact O-N 3.29Å; F62-V72 HydrophobicContact CD2-CG1 4.35Å; F62-V72 HydrophobicContact CE2-CG1 4.37Å; F62-V74 HydrophobicContact CD2-CG2 3.95Å; F62-V74 HydrophobicContact CE2-CG2 4.1Å; F62-I86 HydrophobicContact CE1-CG2 4.14Å; F62-I86 HydrophobicContact CE2-CG2 3.84Å; F62-I86 HydrophobicContact CZ-CG2 3.5Å; F62-W89 HydrophobicContact CD1-CB 4.46Å; F62-W89 AromaticContact CD1-CE3 3.65Å; F62-W89 HydrophobicContact CD1-CE3 3.65Å; F62-W89 HydrophobicContact CD1-CZ3 4.34Å; F62-W89 HydrophobicContact CE1-CB 4.16Å; F62-W89 HydrophobicContact CE1-CE3 4.15Å; F62-W89 HydrophobicContact CG-CE3 4.27Å; F62-V205 HydrophobicContact CE2-CG1 3.96Å; F62-V205 HydrophobicContact CE2-CG2 4.21Å; F62-V205 HydrophobicContact CZ-CG1 4.39Å; F62-V205 HydrophobicContact CZ-CG2 4.1Å; F62-I226 VanDerWaalsContact CA-CD1 3.47Å; F62-I226 HydrophobicContact CB-CD1 3.84Å; F62-I226 HydrophobicContact CD2-CD1 4.11Å; F62-I226 HydrophobicContact CG-CD1 4.49Å
63	E	97.5	Very high	96.4	Very high	57 Å²	57	57.8 Å²	57.8	27%	0.266	27%	0.271	S	S	.	.	H	α-helix	trans	-57.1	-48.9	176.8	-71	166.5	168	0	0	110.7	R59 R60 A65 L66 E67	R59-E63 HydrophobicContact CG-CG 4.45Å; R59-E63 IonicContact CZ-OE1 3.65Å; R59-E63 IonicContact NE-OE1 3.16Å; R59-E63 PolarHBondContact NE-OE1 2.98Å; R59-E63 IonicContact NH2-OE1 3.76Å; R59-E63 PolarHBondContact NH2-OE1 3.32Å; R59-E63 WeakPolarHBondContact O-CG 3.39Å; R59-E63 PolarHBondContact O-N 3.06Å; R60-E63 PolarHBondContact O-N 2.91Å; E63-A65 VanDerWaalsContact C-N 3.31Å; E63-A65 PolarHBondContact O-N 3.26Å; E63-L66 PolarHBondContact O-N 3.31Å; E63-E67 WeakPolarHBondContact O-CG 3.46Å; E63-E67 PolarHBondContact O-N 2.98Å
64	D	98	Very high	96.7	Very high	95 Å²	95	55.9 Å²	55.9	51%	0.508	26%	0.261	S	S	.	.	H	α-helix	trans	-58.8	-41	175.5	-70.6	-22.4	0	0	0	111.8	R60 F62 N68	R60-D64 WeakPolarHBondContact O-CB 3.45Å; R60-D64 VanDerWaalsContact O-CG 3.22Å; R60-D64 PolarHBondContact O-N 3.48Å; F62-D64 PolarHBondContact O-N 2.92Å; D64-N68 WeakPolarHBondContact O-CB 3.21Å; D64-N68 PolarHBondContact O-N 3.43Å; D64-N68 PolarHBondContact O-ND2 3.2Å
65	A	98	Very high	96.9	Very high	13 Å²	13	54.7 Å²	54.7	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-42.2	178.6	0	0	0	0	0	111.9	Q61 F62 E63 N68 N69 V72 P224 I226	Q61-A65 VanDerWaalsContact O-CB 3.28Å; Q61-A65 WeakPolarHBondContact O-CB 3.49Å; Q61-A65 PolarHBondContact O-N 2.81Å; F62-A65 PolarHBondContact O-N 3.05Å; F62-A65 VanDerWaalsContact O-N 3.13Å; E63-A65 VanDerWaalsContact C-N 3.31Å; E63-A65 PolarHBondContact O-N 3.26Å; A65-N68 PolarHBondContact O-N 2.87Å; A65-N69 VanDerWaalsContact O-CB 3.3Å; A65-N69 WeakPolarHBondContact O-CB 3.39Å; A65-N69 PolarHBondContact O-N 3.12Å; A65-N69 PolarHBondContact O-ND2 3.47Å; A65-V72 HydrophobicContact CB-CG1 4.26Å; A65-V72 HydrophobicContact CB-CG2 4.04Å; A65-P224 HydrophobicContact CB-CB 4.3Å; A65-I226 HydrophobicContact CB-CD1 4.19Å
66	L	97.6	Very high	96.6	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-41.5	-179.3	-174.7	66.4	0	0	0	111.6	F62 E63 N68 F93 K203 V205	F62-L66 HydrophobicContact CE1-CD2 4.02Å; F62-L66 HydrophobicContact CZ-CD2 4.12Å; F62-L66 WeakPolarHBondContact O-CB 3.36Å; F62-L66 PolarHBondContact O-N 3.29Å; E63-L66 PolarHBondContact O-N 3.31Å; L66-N68 PolarHBondContact O-N 3.04Å; L66-F93 HydrophobicContact CD2-CB 4.06Å; L66-F93 HydrophobicContact CD2-CD1 4.08Å; L66-F93 HydrophobicContact CD2-CD2 4.31Å; L66-F93 HydrophobicContact CD2-CG 3.88Å; L66-K203 HydrophobicContact CD1-CB 3.89Å; L66-K203 HydrophobicContact CD1-CG 4.2Å; L66-K203 VanDerWaalsContact O-CE 3.29Å; L66-K203 WeakPolarHBondContact O-CE 3.45Å; L66-K203 PolarHBondContact O-NZ 3.09Å; L66-V205 HydrophobicContact CD1-CG2 3.85Å
67	E	96.8	Very high	95.9	Very high	114 Å²	114	54.3 Å²	54.3	53%	0.533	26%	0.259	S	S	.	.	H	α-helix	trans	-59.6	-48.6	175.7	-77.2	-177.5	-178.1	0	0	111.3	E63 F93 K203	E63-E67 WeakPolarHBondContact O-CG 3.46Å; E63-E67 PolarHBondContact O-N 2.98Å; E67-F93 HydrophobicContact CG-CD2 4.35Å; E67-F93 HydrophobicContact CG-CE2 3.92Å; E67-K203 PolarHBondContact O-NZ 3.19Å
68	N	97	Very high	95	Very high	123 Å²	123	47.8 Å²	47.8	66%	0.658	24%	0.236	S	C	*	.	H	α-helix	trans	-88.7	-11.6	-168.5	-68.5	-65.4	0	0	0	114.9	D64 A65 L66	D64-N68 WeakPolarHBondContact O-CB 3.21Å; D64-N68 PolarHBondContact O-N 3.43Å; D64-N68 PolarHBondContact O-ND2 3.2Å; A65-N68 PolarHBondContact O-N 2.87Å; L66-N68 PolarHBondContact O-N 3.04Å
69	N	97.5	Very high	94.2	Very high	59 Å²	59	49 Å²	49	32%	0.316	24%	0.24	S	C	.	.			trans	-131.8	152.3	-174.9	-55.5	-91.1	0	0	0	111.2	A65 V72 K203 P224	A65-N69 VanDerWaalsContact O-CB 3.3Å; A65-N69 WeakPolarHBondContact O-CB 3.39Å; A65-N69 PolarHBondContact O-N 3.12Å; A65-N69 PolarHBondContact O-ND2 3.47Å; N69-V72 HydrophobicContact CB-CG2 4.48Å; N69-K203 WeakPolarHBondContact O-CD 3.42Å; N69-K203 PolarHBondContact O-NZ 3.31Å; N69-P224 HydrophobicContact CB-CG 3.74Å; N69-P224 WeakPolarHBondContact ND2-CG 3.46Å; N69-P224 WeakPolarHBondContact OD1-CG 3.15Å
70	Q	96.8	Very high	93.7	Very high	62 Å²	62	46.6 Å²	46.6	29%	0.29	23%	0.231	S	C	.	.	S	Bend	trans	-82	-28.3	178.4	-155.8	-172.5	1.5	0	0	112.1	L196 R199 L202 K203 V204	Q70-L196 VanDerWaalsContact CD-CD2 3.46Å; Q70-L196 HydrophobicContact CG-CD2 3.64Å; Q70-L196 VanDerWaalsContact NE2-CD2 3.28Å; Q70-L196 PolarHBondContact NE2-O 2.77Å; Q70-R199 PolarHBondContact NE2-O 2.87Å; Q70-L202 WeakPolarHBondContact CG-O 3.32Å; Q70-K203 CarbonylContact O-C 3.41Å; Q70-K203 WeakPolarHBondContact O-CA 3.46Å; Q70-V204 PolarHBondContact O-N 2.75Å
71	L	97.8	Very high	93.3	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.073	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.6	-179.3	-176.5	70.1	0	0	0	109	V204 I206 Y220 V223 P224	L71-V204 CarbonylContact C-O 3.59Å; L71-V204 VanDerWaalsContact CA-O 3.28Å; L71-V204 WeakPolarHBondContact CA-O 3.01Å; L71-V204 HydrophobicContact CD1-CB 3.54Å; L71-V204 HydrophobicContact CD1-CG1 3.41Å; L71-V204 VanDerWaalsContact CD1-CG1 3.41Å; L71-I206 HydrophobicContact CD1-CD1 3.86Å; L71-I206 HydrophobicContact CD1-CG1 4.06Å; L71-Y220 HydrophobicContact CD2-CD1 3.4Å; L71-Y220 VanDerWaalsContact CD2-CD1 3.4Å; L71-Y220 HydrophobicContact CD2-CD2 3.92Å; L71-Y220 HydrophobicContact CD2-CE1 3.91Å; L71-Y220 HydrophobicContact CD2-CE2 4.39Å; L71-Y220 HydrophobicContact CD2-CG 3.38Å; L71-V223 HydrophobicContact CB-CG1 3.97Å; L71-V223 HydrophobicContact CD2-CB 4.47Å; L71-V223 HydrophobicContact CD2-CG1 3.86Å; L71-V223 HydrophobicContact CD2-CG2 3.72Å; L71-V223 HydrophobicContact CG-CG1 3.71Å; L71-V223 HydrophobicContact CG-CG2 4.45Å; L71-V223 VanDerWaalsContact O-CG1 3.27Å; L71-V223 WeakPolarHBondContact O-CG1 3.46Å; L71-P224 WeakPolarHBondContact O-CD 3.5Å
72	V	98.3	Very high	93.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.7	174.2	-179.4	0	0	0	0	109.1	F62 A65 N69 V74 V204 V205 I206 I226	F62-V72 HydrophobicContact CD2-CG1 4.35Å; F62-V72 HydrophobicContact CE2-CG1 4.37Å; A65-V72 HydrophobicContact CB-CG1 4.26Å; A65-V72 HydrophobicContact CB-CG2 4.04Å; N69-V72 HydrophobicContact CB-CG2 4.48Å; V72-V74 HydrophobicContact CG1-CG2 4.24Å; V72-V204 PolarHBondContact N-O 2.96Å; V72-V205 WeakPolarHBondContact O-CA 3.39Å; V72-I206 PolarHBondContact O-N 3.19Å; V72-I226 HydrophobicContact CG1-CD1 4.22Å
73	I	98.2	Very high	92.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126	173.1	-60.2	171.4	0	0	0	108.3	I206 T208 L216 L217 V223 P224 L225 I226	I73-I206 WeakPolarHBondContact CA-O 3.47Å; I73-I206 HydrophobicContact CG1-CB 4.33Å; I73-I206 HydrophobicContact CG1-CD1 4.41Å; I73-T208 HydrophobicContact CG2-CG2 4.11Å; I73-L216 HydrophobicContact CD1-CB 3.93Å; I73-L217 HydrophobicContact CD1-CD2 4.02Å; I73-V223 HydrophobicContact CD1-CB 4.26Å; I73-V223 HydrophobicContact CD1-CG1 4.21Å; I73-V223 HydrophobicContact CG1-CG1 4.02Å; I73-P224 PolarHBondContact N-O 3.22Å; I73-L225 HydrophobicContact CB-CD1 4.15Å; I73-L225 HydrophobicContact CG2-CD1 3.76Å; I73-L225 WeakPolarHBondContact O-CA 3.32Å; I73-I226 PolarHBondContact O-N 3.23Å
74	V	97.4	Very high	92.7	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.9	171.2	-172.6	0	0	0	0	108.2	F62 V72 I86 V205 I206 L207 T208 I226 L228	F62-V74 HydrophobicContact CD2-CG2 3.95Å; F62-V74 HydrophobicContact CE2-CG2 4.1Å; V72-V74 HydrophobicContact CG1-CG2 4.24Å; V74-I86 HydrophobicContact CB-CD1 4.13Å; V74-I86 HydrophobicContact CG1-CD1 3.94Å; V74-I86 HydrophobicContact CG2-CD1 4.03Å; V74-V205 HydrophobicContact CG2-CG1 4.38Å; V74-I206 PolarHBondContact N-O 2.96Å; V74-L207 HydrophobicContact CB-CD2 3.74Å; V74-L207 HydrophobicContact CG2-CD2 4.09Å; V74-L207 WeakPolarHBondContact O-CA 3.27Å; V74-T208 PolarHBondContact O-N 3.25Å; V74-I226 CarbonylContact C-O 3.59Å; V74-I226 WeakPolarHBondContact CA-O 3.26Å; V74-I226 HydrophobicContact CG1-CB 4.45Å; V74-I226 HydrophobicContact CG2-CB 4.38Å; V74-L228 HydrophobicContact CG1-CD1 3.87Å; V74-L228 HydrophobicContact CG1-CD2 4.48Å; V74-L228 HydrophobicContact CG1-CG 3.97Å
75	S	94.8	Very high	92.7	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.028	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.6	176	-169.2	0	0	0	0	109.9	T208 S210 V213 I226 N227 L228	S75-T208 CarbonylContact C-O 3.53Å; S75-T208 VanDerWaalsContact CA-O 3.3Å; S75-T208 WeakPolarHBondContact CA-O 3.41Å; S75-S210 VanDerWaalsContact OG-CA 3.24Å; S75-S210 WeakPolarHBondContact OG-CA 3.39Å; S75-S210 PolarHBondContact OG-N 3.32Å; S75-V213 WeakPolarHBondContact OG-CG2 3.38Å; S75-I226 PolarHBondContact N-O 2.83Å; S75-N227 WeakPolarHBondContact CB-OD1 3.48Å; S75-N227 CarbonylContact O-C 3.55Å; S75-N227 WeakPolarHBondContact O-CA 3.39Å; S75-L228 PolarHBondContact O-N 2.82Å
76	G	87.5	Confident	92.7	Very high	10 Å²	10	27 Å²	27	10%	0.103	15%	0.151	C	C	.	.			trans	-156.7	173.5	176.4	0	0	0	0	0	111.3	T208 M209	G76-T208 PolarHBondContact N-O 3.16Å; G76-M209 WeakPolarHBondContact O-CA 3.27Å
77	V	80.4	Confident	92.7	Very high	33 Å²	33	26.9 Å²	26.9	20%	0.2	15%	0.15	C	C	.	.			trans	-101.3	171.5	169.9	-53.7	0	0	0	0	109.9	T80 M209 I230 H380	V77-T80 HydrophobicContact CG2-CG2 4.17Å; V77-T80 WeakPolarHBondContact O-CB 3.4Å; V77-T80 WeakPolarHBondContact O-CG2 3.41Å; V77-T80 PolarHBondContact O-N 3.31Å; V77-T80 PolarHBondContact O-OG1 3.26Å; V77-M209 HydrophobicContact CB-CE 3.96Å; V77-M209 HydrophobicContact CG1-CE 3.86Å; V77-I230 HydrophobicContact CG2-CD1 3.09Å; V77-I230 HydrophobicContact CG2-CG1 3.64Å; V77-H380 HydrophobicContact CB-CB 4.35Å; V77-H380 HydrophobicContact CG2-CB 4.35Å
78	A	76.6	Confident	92.8	Very high	27 Å²	27	21.6 Å²	21.6	22%	0.223	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	152.8	174.6	0	0	0	0	0	111.3	T80 H380 L381	A78-T80 PolarHBondContact O-N 3.16Å; A78-H380 HydrophobicContact CB-CB 4.2Å; A78-L381 HydrophobicContact CB-CD2 4.44Å
79	Q	78.3	Confident	92.9	Very high	51 Å²	51	16 Å²	16	24%	0.238	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	10.3	-179.9	-47.1	-175.1	1.1	0	0	116	G81 G339 H380 L381	Q79-G81 VanDerWaalsContact C-N 3.31Å; Q79-G339 VanDerWaalsContact NE2-N 3.18Å; Q79-H380 VanDerWaalsContact CD-O 3.29Å; Q79-H380 PolarHBondContact NE2-O 2.87Å; Q79-L381 PolarHBondContact NE2-O 3.5Å
80	T	85.9	Confident	92.9	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	8%	0.08	C	C	.	.	S	Bend	trans	-75.5	-18.7	172.4	51.1	0	0	0	0	113.9	P54 V55 V77 A78 L228 I230	P54-T80 HydrophobicContact CB-CG2 4.32Å; P54-T80 WeakPolarHBondContact CD-O 3.46Å; V55-T80 VanDerWaalsContact CB-O 3.29Å; V55-T80 WeakPolarHBondContact CB-O 3.39Å; V55-T80 WeakPolarHBondContact CG1-O 3.36Å; V55-T80 PolarHBondContact N-O 3.23Å; V77-T80 HydrophobicContact CG2-CG2 4.17Å; V77-T80 WeakPolarHBondContact O-CB 3.4Å; V77-T80 WeakPolarHBondContact O-CG2 3.41Å; V77-T80 PolarHBondContact O-N 3.31Å; V77-T80 PolarHBondContact O-OG1 3.26Å; A78-T80 PolarHBondContact O-N 3.16Å; T80-L228 HydrophobicContact CG2-CB 3.98Å; T80-L228 HydrophobicContact CG2-CD1 4.35Å; T80-I230 HydrophobicContact CG2-CD1 3.74Å; T80-I230 HydrophobicContact CG2-CG1 3.64Å
81	G	89.3	Confident	93	Very high	11 Å²	11	10.2 Å²	10.2	11%	0.113	7%	0.066	C	C	.	.	S	Bend	trans	91.6	8.4	-177.7	0	0	0	0	0	114.9	Q79 T84 Q85	Q79-G81 VanDerWaalsContact C-N 3.31Å; G81-T84 PolarHBondContact O-N 3.39Å; G81-T84 PolarHBondContact O-OG1 3.18Å; G81-Q85 WeakPolarHBondContact O-CB 3.48Å; G81-Q85 WeakPolarHBondContact O-CG 3.4Å; G81-Q85 PolarHBondContact O-N 2.94Å
82	S	92.8	Very high	93	Very high	20 Å²	20	12.4 Å²	12.4	14%	0.14	8%	0.076	C	C	.	.	H	α-helix	trans	-57.1	-51.8	-177.8	50.6	0	0	0	0	112.8	T84 I86 P87	S82-T84 PolarHBondContact O-N 3.24Å; S82-I86 VanDerWaalsContact O-CB 3.29Å; S82-I86 WeakPolarHBondContact O-CB 3.27Å; S82-I86 WeakPolarHBondContact O-CG1 3.41Å; S82-I86 PolarHBondContact O-N 3.06Å; S82-I86 VanDerWaalsContact O-N 3.12Å; S82-P87 WeakPolarHBondContact O-CD 3.48Å
83	S	93.5	Very high	93	Very high	21 Å²	21	14.9 Å²	14.9	15%	0.147	9%	0.087	C	C	.	.	H	α-helix	trans	-66.5	-18.6	-175.3	-53.4	0	0	0	0	114.6	Y151 D176	S83-Y151 PolarHBondContact O-OH 3.39Å; S83-D176 WeakPolarHBondContact CB-OD2 3.42Å; S83-D176 PolarHBondContact OG-OD1 3.26Å; S83-D176 PolarHBondContact OG-OD2 2.86Å
84	T	94.7	Very high	93	Very high	9 Å²	9	15.1 Å²	15.1	6%	0.055	9%	0.089	C	C	.	.	H	α-helix	trans	-101.1	-46.4	178.6	56.9	0	0	0	0	111.9	G81 S82 Q88 L117 V121	G81-T84 PolarHBondContact O-N 3.39Å; G81-T84 PolarHBondContact O-OG1 3.18Å; S82-T84 PolarHBondContact O-N 3.24Å; T84-Q88 WeakPolarHBondContact O-CG 3.47Å; T84-Q88 PolarHBondContact O-NE2 3.13Å; T84-L117 HydrophobicContact CG2-CD2 3.69Å; T84-V121 HydrophobicContact CG2-CG2 4.28Å
85	Q	97	Very high	93	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-85.1	-38	-171.3	-54.3	-47.4	-68.6	0	0	113.7	R50 L53 V55 G81 Q88 W89 E124	R50-Q85 VanDerWaalsContact NH2-OE1 3.13Å; L53-Q85 HydrophobicContact CD1-CG 3.92Å; V55-Q85 HydrophobicContact CG1-CB 3.79Å; V55-Q85 HydrophobicContact CG1-CG 3.67Å; G81-Q85 WeakPolarHBondContact O-CB 3.48Å; G81-Q85 WeakPolarHBondContact O-CG 3.4Å; G81-Q85 PolarHBondContact O-N 2.94Å; Q85-Q88 WeakPolarHBondContact O-CB 3.34Å; Q85-Q88 PolarHBondContact O-N 3.49Å; Q85-W89 HydrophobicContact CB-CH2 4.14Å; Q85-W89 HydrophobicContact CB-CZ2 3.71Å; Q85-W89 VanDerWaalsContact O-CG 3.28Å; Q85-W89 PolarHBondContact O-N 3.32Å; Q85-W89 VanDerWaalsContact O-N 3.08Å; Q85-E124 PolarHBondContact NE2-OE1 3.05Å; Q85-E124 PolarHBondContact NE2-OE2 2.88Å
86	I	98.1	Very high	93.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-45.5	-177	-66.1	172.8	0	0	0	111.1	V55 F62 V74 S82 Q88 W89 C90 V205 L207	V55-I86 HydrophobicContact CG2-CD1 4.23Å; V55-I86 HydrophobicContact CG2-CG1 4.12Å; F62-I86 HydrophobicContact CE1-CG2 4.14Å; F62-I86 HydrophobicContact CE2-CG2 3.84Å; F62-I86 HydrophobicContact CZ-CG2 3.5Å; V74-I86 HydrophobicContact CB-CD1 4.13Å; V74-I86 HydrophobicContact CG1-CD1 3.94Å; V74-I86 HydrophobicContact CG2-CD1 4.03Å; S82-I86 VanDerWaalsContact O-CB 3.29Å; S82-I86 WeakPolarHBondContact O-CB 3.27Å; S82-I86 WeakPolarHBondContact O-CG1 3.41Å; S82-I86 PolarHBondContact O-N 3.06Å; S82-I86 VanDerWaalsContact O-N 3.12Å; I86-Q88 VanDerWaalsContact C-N 3.25Å; I86-Q88 PolarHBondContact O-N 3.07Å; I86-W89 HydrophobicContact CG1-CE3 4.13Å; I86-W89 HydrophobicContact CG1-CZ3 4.12Å; I86-W89 PolarHBondContact O-N 3.28Å; I86-W89 VanDerWaalsContact O-N 3.12Å; I86-C90 PolarHBondContact O-N 3.44Å; I86-C90 PolarHBondContact O-SG 2.8Å; I86-V205 HydrophobicContact CG2-CG1 3.99Å; I86-L207 HydrophobicContact CD1-CD1 4.36Å; I86-L207 HydrophobicContact CD1-CD2 3.39Å; I86-L207 HydrophobicContact CG2-CD2 4.16Å
87	P	98.5	Very high	93.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.2	-34.7	176.7	-26.6	37.8	0	0	0	113.9	S82 C90 A91 C106 L149 Y151 I174	S82-P87 WeakPolarHBondContact O-CD 3.48Å; P87-C90 PolarHBondContact O-N 3.37Å; P87-A91 PolarHBondContact O-N 3.08Å; P87-C106 HydrophobicContact CG-CB 4.3Å; P87-L149 HydrophobicContact CB-CD1 3.77Å; P87-L149 HydrophobicContact CB-CD2 3.96Å; P87-Y151 WeakPolarHBondContact CB-OH 3.42Å; P87-Y151 HydrophobicContact CG-CE1 4.34Å; P87-Y151 WeakPolarHBondContact CG-OH 3.21Å; P87-I174 VanDerWaalsContact CA-CD1 3.46Å; P87-I174 HydrophobicContact CB-CD1 3.73Å; P87-I174 HydrophobicContact CG-CD1 3.72Å
88	Q	98.5	Very high	94.1	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-44.5	174.1	-66.4	178	64	0	0	111.8	T84 Q85 I86 C90 A91 E92 V121 E124 M125	T84-Q88 WeakPolarHBondContact O-CG 3.47Å; T84-Q88 PolarHBondContact O-NE2 3.13Å; Q85-Q88 WeakPolarHBondContact O-CB 3.34Å; Q85-Q88 PolarHBondContact O-N 3.49Å; I86-Q88 VanDerWaalsContact C-N 3.25Å; I86-Q88 PolarHBondContact O-N 3.07Å; Q88-C90 VanDerWaalsContact C-N 3.3Å; Q88-C90 PolarHBondContact O-N 2.86Å; Q88-A91 WeakPolarHBondContact O-CA 3.41Å; Q88-A91 WeakPolarHBondContact O-CB 3.38Å; Q88-A91 PolarHBondContact O-N 3.1Å; Q88-E92 WeakPolarHBondContact O-CG 3.43Å; Q88-E92 PolarHBondContact O-N 3.11Å; Q88-V121 HydrophobicContact CG-CG1 3.61Å; Q88-E124 PolarHBondContact NE2-OE2 3.33Å; Q88-M125 HydrophobicContact CG-CG 3.83Å; Q88-M125 HydrophobicContact CG-SD 3.76Å
89	W	98.6	Very high	95	Very high	5 Å²	5	30.6 Å²	30.6	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-34.4	177.1	-55.5	-22.1	0	0	0	112.2	V55 W56 R59 F62 Q85 I86 A91 E92 F93	V55-W89 HydrophobicContact CB-CH2 4.33Å; V55-W89 HydrophobicContact CG1-CH2 4.03Å; V55-W89 HydrophobicContact CG2-CH2 3.74Å; V55-W89 HydrophobicContact CG2-CZ3 3.83Å; V55-W89 WeakPolarHBondContact O-CH2 3.25Å; W56-W89 HydrophobicContact CD2-CZ2 4.41Å; W56-W89 AromaticContact CE3-CZ2 3.98Å; W56-W89 HydrophobicContact CE3-CZ2 3.98Å; W56-W89 HydrophobicContact CZ3-CZ2 4.37Å; R59-W89 HydrophobicContact CB-CH2 3.74Å; R59-W89 HydrophobicContact CB-CZ2 3.88Å; R59-W89 HydrophobicContact CB-CZ3 4.12Å; R59-W89 HydrophobicContact CG-CD2 4.03Å; R59-W89 HydrophobicContact CG-CE3 4.25Å; R59-W89 HydrophobicContact CG-CH2 4.08Å; R59-W89 HydrophobicContact CG-CZ2 3.87Å; R59-W89 HydrophobicContact CG-CZ3 4.27Å; F62-W89 HydrophobicContact CD1-CB 4.46Å; F62-W89 AromaticContact CD1-CE3 3.65Å; F62-W89 HydrophobicContact CD1-CE3 3.65Å; F62-W89 HydrophobicContact CD1-CZ3 4.34Å; F62-W89 HydrophobicContact CE1-CB 4.16Å; F62-W89 HydrophobicContact CE1-CE3 4.15Å; F62-W89 HydrophobicContact CG-CE3 4.27Å; Q85-W89 HydrophobicContact CB-CH2 4.14Å; Q85-W89 HydrophobicContact CB-CZ2 3.71Å; Q85-W89 VanDerWaalsContact O-CG 3.28Å; Q85-W89 PolarHBondContact O-N 3.32Å; Q85-W89 VanDerWaalsContact O-N 3.08Å; I86-W89 HydrophobicContact CG1-CE3 4.13Å; I86-W89 HydrophobicContact CG1-CZ3 4.12Å; I86-W89 PolarHBondContact O-N 3.28Å; I86-W89 VanDerWaalsContact O-N 3.12Å; W89-A91 VanDerWaalsContact C-N 3.33Å; W89-E92 PolarHBondContact O-N 3.37Å; W89-F93 WeakPolarHBondContact O-CB 3.49Å; W89-F93 PolarHBondContact O-N 2.97Å
90	C	98.7	Very high	95.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-38.6	170.3	-66.6	0	0	0	0	111.7	I86 P87 Q88 F93 C94 V104 V172 I174	I86-C90 PolarHBondContact O-N 3.44Å; I86-C90 PolarHBondContact O-SG 2.8Å; P87-C90 PolarHBondContact O-N 3.37Å; Q88-C90 VanDerWaalsContact C-N 3.3Å; Q88-C90 PolarHBondContact O-N 2.86Å; C90-F93 WeakPolarHBondContact O-CB 3.29Å; C90-F93 PolarHBondContact O-N 3.41Å; C90-C94 PolarHBondContact O-N 2.63Å; C90-C94 PolarHBondContact O-SG 3.43Å; C90-V104 HydrophobicContact CB-CG1 3.93Å; C90-V104 HydrophobicContact CB-CG2 4.13Å; C90-V172 HydrophobicContact CB-CB 4.3Å; C90-V172 HydrophobicContact CB-CG1 3.89Å; C90-V172 HydrophobicContact CB-CG2 4.4Å; C90-I174 HydrophobicContact CB-CD1 4.05Å
91	A	98.3	Very high	96.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.7	-41.5	176.1	0	0	0	0	0	111.7	F34 P87 Q88 W89 F93 C94 L95 V104 L149	F34-A91 HydrophobicContact CE1-CB 4.29Å; F34-A91 HydrophobicContact CZ-CB 4.33Å; P87-A91 PolarHBondContact O-N 3.08Å; Q88-A91 WeakPolarHBondContact O-CA 3.41Å; Q88-A91 WeakPolarHBondContact O-CB 3.38Å; Q88-A91 PolarHBondContact O-N 3.1Å; W89-A91 VanDerWaalsContact C-N 3.33Å; A91-F93 VanDerWaalsContact C-N 3.34Å; A91-F93 PolarHBondContact O-N 2.89Å; A91-C94 PolarHBondContact O-N 2.93Å; A91-L95 VanDerWaalsContact O-CB 3.32Å; A91-L95 WeakPolarHBondContact O-CB 3.3Å; A91-L95 PolarHBondContact O-N 2.84Å; A91-V104 HydrophobicContact CB-CG2 4.24Å; A91-L149 HydrophobicContact CB-CB 4.42Å
92	E	97.9	Very high	96.4	Very high	61 Å²	61	39.4 Å²	39.4	29%	0.285	21%	0.209	S	C	.	.	H	α-helix	trans	-60.7	-41.2	171.9	-69.3	173.4	-155.4	0	0	111.7	F34 R59 Q88 W89 L95 S96	F34-E92 HydrophobicContact CZ-CG 4.22Å; R59-E92 IonicContact CZ-OE2 3.54Å; R59-E92 IonicContact NH1-OE2 3.49Å; R59-E92 IonicContact NH2-OE2 2.75Å; R59-E92 PolarHBondContact NH2-OE2 2.86Å; Q88-E92 WeakPolarHBondContact O-CG 3.43Å; Q88-E92 PolarHBondContact O-N 3.11Å; W89-E92 PolarHBondContact O-N 3.37Å; E92-L95 PolarHBondContact O-N 3.25Å; E92-S96 PolarHBondContact O-N 3.36Å
93	F	98	Very high	96.7	Very high	51 Å²	51	40.2 Å²	40.2	22%	0.224	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-50.2	173.9	171.1	-97.7	0	0	0	111.5	L66 E67 W89 C90 A91 L95 S96 A97 V172 K203	L66-F93 HydrophobicContact CD2-CB 4.06Å; L66-F93 HydrophobicContact CD2-CD1 4.08Å; L66-F93 HydrophobicContact CD2-CD2 4.31Å; L66-F93 HydrophobicContact CD2-CG 3.88Å; E67-F93 HydrophobicContact CG-CD2 4.35Å; E67-F93 HydrophobicContact CG-CE2 3.92Å; W89-F93 WeakPolarHBondContact O-CB 3.49Å; W89-F93 PolarHBondContact O-N 2.97Å; C90-F93 WeakPolarHBondContact O-CB 3.29Å; C90-F93 PolarHBondContact O-N 3.41Å; A91-F93 VanDerWaalsContact C-N 3.34Å; A91-F93 PolarHBondContact O-N 2.89Å; F93-L95 VanDerWaalsContact C-N 3.33Å; F93-L95 PolarHBondContact O-N 3.3Å; F93-S96 WeakPolarHBondContact O-CB 3.42Å; F93-S96 PolarHBondContact O-N 2.88Å; F93-S96 PolarHBondContact O-OG 3.3Å; F93-A97 PolarHBondContact O-N 3.22Å; F93-V172 HydrophobicContact CD1-CG2 4.05Å; F93-V172 HydrophobicContact CE1-CG2 4.38Å; F93-K203 HydrophobicContact CE1-CG 4.16Å
94	C	97.9	Very high	96.9	Very high	6 Å²	6	39.2 Å²	39.2	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-41.5	176.3	-72.2	0	0	0	0	112.2	C90 A91 S96 A97 Q98 F99 V104 V172	C90-C94 PolarHBondContact O-N 2.63Å; C90-C94 PolarHBondContact O-SG 3.43Å; A91-C94 PolarHBondContact O-N 2.93Å; C94-S96 VanDerWaalsContact C-N 3.33Å; C94-S96 PolarHBondContact O-N 3.34Å; C94-A97 CarbonylContact O-C 3.47Å; C94-A97 PolarHBondContact O-N 3.23Å; C94-A97 VanDerWaalsContact O-N 3.14Å; C94-Q98 PolarHBondContact O-N 3.39Å; C94-F99 HydrophobicContact CB-CD1 3.65Å; C94-F99 HydrophobicContact CB-CE1 3.8Å; C94-F99 WeakPolarHBondContact O-CA 3.39Å; C94-F99 PolarHBondContact O-N 2.82Å; C94-V104 HydrophobicContact CB-CG2 4.36Å; C94-V172 VanDerWaalsContact SG-CG2 3.56Å
95	L	97.3	Very high	97.1	Very high	49 Å²	49	38.8 Å²	38.8	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-61.5	-39.6	176.5	178.7	64.8	0	0	0	112	P33 F34 A91 E92 F93 A97 Q98 F99	P33-L95 HydrophobicContact CB-CD2 3.94Å; P33-L95 HydrophobicContact CG-CD2 4.11Å; F34-L95 HydrophobicContact CD1-CD2 4.17Å; F34-L95 HydrophobicContact CE1-CB 4.36Å; F34-L95 HydrophobicContact CE1-CD2 3.83Å; F34-L95 HydrophobicContact CZ-CD2 4.04Å; A91-L95 VanDerWaalsContact O-CB 3.32Å; A91-L95 WeakPolarHBondContact O-CB 3.3Å; A91-L95 PolarHBondContact O-N 2.84Å; E92-L95 PolarHBondContact O-N 3.25Å; F93-L95 VanDerWaalsContact C-N 3.33Å; F93-L95 PolarHBondContact O-N 3.3Å; L95-A97 PolarHBondContact O-N 3.25Å; L95-Q98 WeakPolarHBondContact O-CA 3.37Å; L95-Q98 PolarHBondContact O-N 3.01Å; L95-F99 HydrophobicContact CB-CE1 4.45Å; L95-F99 HydrophobicContact CB-CE2 4.2Å; L95-F99 HydrophobicContact CB-CZ 3.84Å; L95-F99 HydrophobicContact CD1-CD2 4.42Å; L95-F99 HydrophobicContact CD1-CE2 3.47Å; L95-F99 VanDerWaalsContact CD1-CE2 3.47Å; L95-F99 HydrophobicContact CD1-CZ 3.85Å; L95-F99 HydrophobicContact CG-CE2 4.45Å; L95-F99 HydrophobicContact CG-CZ 4.44Å
96	S	96.3	Very high	97.2	Very high	93 Å²	93	38.8 Å²	38.8	65%	0.65	20%	0.202	S	C	*	.	H	α-helix	trans	-61.1	-29.5	176.7	81.5	0	0	0	0	112.7	E92 F93 C94 Q98	E92-S96 PolarHBondContact O-N 3.36Å; F93-S96 WeakPolarHBondContact O-CB 3.42Å; F93-S96 PolarHBondContact O-N 2.88Å; F93-S96 PolarHBondContact O-OG 3.3Å; C94-S96 VanDerWaalsContact C-N 3.33Å; C94-S96 PolarHBondContact O-N 3.34Å; S96-Q98 VanDerWaalsContact C-N 3.34Å
97	A	94.5	Very high	97.2	Very high	32 Å²	32	38.8 Å²	38.8	26%	0.264	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	14.2	172.8	0	0	0	0	0	113	F93 C94 L95 F99 Q100	F93-A97 PolarHBondContact O-N 3.22Å; C94-A97 CarbonylContact O-C 3.47Å; C94-A97 PolarHBondContact O-N 3.23Å; C94-A97 VanDerWaalsContact O-N 3.14Å; L95-A97 PolarHBondContact O-N 3.25Å; A97-F99 PolarHBondContact O-N 3.03Å; A97-F99 VanDerWaalsContact O-N 3.15Å; A97-Q100 WeakPolarHBondContact O-CB 3.47Å; A97-Q100 PolarHBondContact O-N 3.03Å
98	Q	95.8	Very high	97.1	Very high	172 Å²	172	38.8 Å²	38.8	80%	0.804	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	35.1	-177.9	-58.2	-178.6	-21.8	0	0	113.3	C94 L95 S96 Q100	C94-Q98 PolarHBondContact O-N 3.39Å; L95-Q98 WeakPolarHBondContact O-CA 3.37Å; L95-Q98 PolarHBondContact O-N 3.01Å; S96-Q98 VanDerWaalsContact C-N 3.34Å; Q98-Q100 PolarHBondContact O-N 3.1Å; Q98-Q100 VanDerWaalsContact O-N 3.11Å
99	F	95.1	Very high	96.7	Very high	56 Å²	56	40 Å²	40	25%	0.246	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	24.9	-175.9	-54.5	-79.6	0	0	0	114.2	C94 L95 A97 H101 G102 L103 V148	C94-F99 HydrophobicContact CB-CD1 3.65Å; C94-F99 HydrophobicContact CB-CE1 3.8Å; C94-F99 WeakPolarHBondContact O-CA 3.39Å; C94-F99 PolarHBondContact O-N 2.82Å; L95-F99 HydrophobicContact CB-CE1 4.45Å; L95-F99 HydrophobicContact CB-CE2 4.2Å; L95-F99 HydrophobicContact CB-CZ 3.84Å; L95-F99 HydrophobicContact CD1-CD2 4.42Å; L95-F99 HydrophobicContact CD1-CE2 3.47Å; L95-F99 VanDerWaalsContact CD1-CE2 3.47Å; L95-F99 HydrophobicContact CD1-CZ 3.85Å; L95-F99 HydrophobicContact CG-CE2 4.45Å; L95-F99 HydrophobicContact CG-CZ 4.44Å; A97-F99 PolarHBondContact O-N 3.03Å; A97-F99 VanDerWaalsContact O-N 3.15Å; F99-H101 PolarHBondContact O-N 3.39Å; F99-G102 PolarHBondContact O-N 3.24Å; F99-L103 HydrophobicContact CD1-CD2 3.88Å; F99-L103 HydrophobicContact CE1-CD2 4.46Å; F99-L103 HydrophobicContact CG-CD2 4.32Å; F99-V148 HydrophobicContact CE1-CB 3.76Å; F99-V148 HydrophobicContact CE1-CG1 3.84Å; F99-V148 HydrophobicContact CE2-CG1 4.15Å; F99-V148 HydrophobicContact CZ-CB 3.89Å; F99-V148 HydrophobicContact CZ-CG1 3.6Å; F99-V148 HydrophobicContact CZ-CG2 4.39Å
100	Q	94.6	Very high	96.2	Very high	153 Å²	153	41.9 Å²	41.9	72%	0.715	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.8	-178.3	179.1	178.4	-3.2	0	0	113.1	A97 Q98	A97-Q100 WeakPolarHBondContact O-CB 3.47Å; A97-Q100 PolarHBondContact O-N 3.03Å; Q98-Q100 PolarHBondContact O-N 3.1Å; Q98-Q100 VanDerWaalsContact O-N 3.11Å
101	H	92.6	Very high	95.8	Very high	82 Å²	82	46.6 Å²	46.6	38%	0.38	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	5	-178	-61.7	-57.3	0	0	0	113.8	F99 Y170 G171 E201	F99-H101 PolarHBondContact O-N 3.39Å; H101-Y170 CarbonylContact O-C 3.57Å; H101-G171 WeakPolarHBondContact O-CA 3.32Å; H101-G171 PolarHBondContact O-N 3.38Å; H101-G171 VanDerWaalsContact O-N 3.16Å; H101-E201 HydrophobicContact CB-CG 4.38Å
102	G	96.4	Very high	95.1	Very high	13 Å²	13	50 Å²	50	13%	0.134	26%	0.26	C	S	.	.			trans	107.7	-170.6	-179.9	0	0	0	0	0	114	F99 Q169	F99-G102 PolarHBondContact O-N 3.24Å; G102-Q169 WeakPolarHBondContact CA-O 3.37Å
103	L	97.8	Very high	94.6	Very high	38 Å²	38	47.9 Å²	47.9	20%	0.199	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-174.2	-172	-54.6	176.1	0	0	0	112	F99 T147 V148 Q169 Y170 G171 V172	F99-L103 HydrophobicContact CD1-CD2 3.88Å; F99-L103 HydrophobicContact CE1-CD2 4.46Å; F99-L103 HydrophobicContact CG-CD2 4.32Å; L103-T147 VanDerWaalsContact CD1-O 3.28Å; L103-T147 WeakPolarHBondContact CD1-O 3.38Å; L103-V148 HydrophobicContact CD2-CB 4.4Å; L103-V148 HydrophobicContact CD2-CG1 4.29Å; L103-Q169 HydrophobicContact CD1-CG 4.19Å; L103-Q169 PolarHBondContact N-O 3.08Å; L103-Y170 HydrophobicContact CB-CD1 4.24Å; L103-Y170 WeakPolarHBondContact O-CA 3.34Å; L103-G171 PolarHBondContact O-N 2.93Å; L103-V172 PolarHBondContact O-N 3.46Å
104	V	98.8	Very high	94.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133	176.1	-172.6	0	0	0	0	110.8	C90 A91 C94 V148 L149 R150 V172 I174	C90-V104 HydrophobicContact CB-CG1 3.93Å; C90-V104 HydrophobicContact CB-CG2 4.13Å; A91-V104 HydrophobicContact CB-CG2 4.24Å; C94-V104 HydrophobicContact CB-CG2 4.36Å; V104-V148 PolarHBondContact N-O 3.15Å; V104-L149 HydrophobicContact CB-CD1 3.91Å; V104-L149 HydrophobicContact CG1-CD1 3.63Å; V104-R150 PolarHBondContact O-N 2.86Å; V104-V172 WeakPolarHBondContact CA-O 3.44Å; V104-V172 HydrophobicContact CG1-CB 4.35Å; V104-V172 HydrophobicContact CG2-CB 4.24Å; V104-I174 HydrophobicContact CG1-CD1 3.88Å; V104-I174 HydrophobicContact CG1-CG1 4.4Å
105	V	98.8	Very high	94.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.1	167.3	63.2	0	0	0	0	110.8	R150 C152 L157 Y170 V172 I173 I174	V105-R150 CarbonylContact C-O 3.53Å; V105-R150 VanDerWaalsContact CA-O 3.28Å; V105-R150 WeakPolarHBondContact CA-O 3.35Å; V105-C152 WeakPolarHBondContact CG2-SG 3.34Å; V105-L157 HydrophobicContact CG1-CD1 4.19Å; V105-L157 HydrophobicContact CG1-CD2 4.32Å; V105-L157 HydrophobicContact CG2-CD1 4.35Å; V105-Y170 HydrophobicContact CB-CD1 3.65Å; V105-Y170 HydrophobicContact CB-CE1 3.66Å; V105-Y170 HydrophobicContact CB-CG 4.13Å; V105-Y170 HydrophobicContact CG1-CD1 3.67Å; V105-Y170 HydrophobicContact CG1-CD2 3.86Å; V105-Y170 HydrophobicContact CG1-CE1 4.06Å; V105-Y170 HydrophobicContact CG1-CE2 4.22Å; V105-Y170 HydrophobicContact CG1-CG 3.6Å; V105-Y170 HydrophobicContact CG2-CE1 4.49Å; V105-V172 PolarHBondContact N-O 3.02Å; V105-V172 VanDerWaalsContact N-O 3.09Å; V105-I173 HydrophobicContact CG1-CB 4.18Å; V105-I173 HydrophobicContact CG1-CG1 3.73Å; V105-I173 HydrophobicContact CG1-CG2 4.15Å; V105-I174 PolarHBondContact O-N 3.22Å
106	C	98.7	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	114.8	175.2	-173.2	0	0	0	0	109.8	P87 Q108 R150 Y151 C152 I174	P87-C106 HydrophobicContact CG-CB 4.3Å; C106-Q108 PolarHBondContact SG-NE2 2.69Å; C106-Q108 VanDerWaalsContact SG-NE2 3.41Å; C106-R150 PolarHBondContact N-O 2.81Å; C106-Y151 HydrophobicContact CB-CD1 3.77Å; C106-Y151 HydrophobicContact CB-CE1 3.82Å; C106-Y151 HydrophobicContact CB-CG 4.39Å; C106-Y151 CarbonylContact O-C 3.59Å; C106-Y151 VanDerWaalsContact O-CA 3.31Å; C106-Y151 WeakPolarHBondContact O-CA 3.4Å; C106-C152 PolarHBondContact O-N 3.27Å; C106-I174 CarbonylContact C-O 3.44Å; C106-I174 WeakPolarHBondContact CA-O 3.43Å; C106-I174 HydrophobicContact CB-CB 4.11Å; C106-I174 HydrophobicContact CB-CD1 4.43Å
107	T	98.3	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	149.3	177.4	77.2	0	0	0	0	111.1	C152 D154 L157 I174 I175 D176 L188	T107-C152 CarbonylContact C-O 3.59Å; T107-C152 VanDerWaalsContact CA-O 3.26Å; T107-C152 WeakPolarHBondContact CA-O 3.3Å; T107-D154 VanDerWaalsContact CB-OD1 3.22Å; T107-D154 WeakPolarHBondContact CB-OD1 3.32Å; T107-D154 PolarHBondContact OG1-OD1 3.27Å; T107-L157 HydrophobicContact CG2-CB 4.03Å; T107-L157 HydrophobicContact CG2-CD2 3.41Å; T107-L157 VanDerWaalsContact CG2-CD2 3.41Å; T107-L157 HydrophobicContact CG2-CG 4.35Å; T107-I174 PolarHBondContact N-O 3.33Å; T107-I175 HydrophobicContact CG2-CD1 3.96Å; T107-D176 WeakPolarHBondContact O-CB 3.44Å; T107-D176 PolarHBondContact O-N 3.27Å; T107-L188 HydrophobicContact CG2-CD1 4.03Å
108	Q	95.3	Very high	93.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.4	175.5	-58.8	-68.8	-53.2	0	0	108.9	C106 S110 Q113 A114 L117 Y151 C152 T153 D154 D176	C106-Q108 PolarHBondContact SG-NE2 2.69Å; C106-Q108 VanDerWaalsContact SG-NE2 3.41Å; Q108-S110 VanDerWaalsContact C-N 3.26Å; Q108-S110 PolarHBondContact O-N 2.93Å; Q108-Q113 HydrophobicContact CG-CG 4.37Å; Q108-Q113 VanDerWaalsContact OE1-CG 3.23Å; Q108-A114 HydrophobicContact CB-CB 4.19Å; Q108-A114 HydrophobicContact CG-CB 4.16Å; Q108-L117 VanDerWaalsContact CD-CD1 3.4Å; Q108-L117 HydrophobicContact CG-CD1 4.16Å; Q108-Y151 HydrophobicContact CG-CD1 4.3Å; Q108-C152 PolarHBondContact N-O 3.44Å; Q108-T153 VanDerWaalsContact O-CA 3.28Å; Q108-T153 WeakPolarHBondContact O-CA 3.45Å; Q108-D154 PolarHBondContact O-N 3.12Å; Q108-D176 PolarHBondContact NE2-OD2 3.47Å
109	A	90.3	Very high	93.7	Very high	30 Å²	30	34.3 Å²	34.3	25%	0.248	17%	0.173	C	C	.	.	S	Bend	trans	-70.3	-23.9	178.5	0	0	0	0	0	112.9	E180 T182	A109-E180 HydrophobicContact CB-CB 4.47Å; A109-E180 VanDerWaalsContact CB-CD 3.44Å; A109-E180 WeakPolarHBondContact CB-OE2 3.33Å; A109-T182 HydrophobicContact CB-CG2 3.74Å
110	S	88.1	Confident	93.6	Very high	43 Å²	43	33.6 Å²	33.6	30%	0.301	17%	0.171	S	C	.	.	S	Bend	trans	-123	137.4	-175.4	178.6	0	0	0	0	113.2	Q108 R112 Q113 A114	Q108-S110 VanDerWaalsContact C-N 3.26Å; Q108-S110 PolarHBondContact O-N 2.93Å; S110-R112 VanDerWaalsContact C-N 3.31Å; S110-R112 PolarHBondContact O-N 3.44Å; S110-Q113 PolarHBondContact O-N 2.85Å; S110-A114 PolarHBondContact O-N 2.94Å; S110-A114 VanDerWaalsContact O-N 3.17Å
111	K	89.9	Confident	93.7	Very high	100 Å²	100	26.3 Å²	26.3	44%	0.435	14%	0.137	S	C	.	.	H	α-helix	trans	-54.9	-46.2	176.6	-60.2	-174.8	-172.2	-169.6	0	112.2	Q113 A114 V115 I137 P138 T153	K111-Q113 VanDerWaalsContact C-N 3.26Å; K111-Q113 PolarHBondContact O-N 2.8Å; K111-A114 PolarHBondContact O-N 3.33Å; K111-V115 WeakPolarHBondContact O-CG2 3.28Å; K111-V115 PolarHBondContact O-N 3.14Å; K111-I137 HydrophobicContact CB-CB 4.29Å; K111-I137 HydrophobicContact CB-CD1 4.15Å; K111-I137 HydrophobicContact CB-CG2 4.23Å; K111-I137 HydrophobicContact CG-CB 4.3Å; K111-P138 HydrophobicContact CD-CG 4.42Å; K111-T153 HydrophobicContact CB-CG2 4.29Å; K111-T153 HydrophobicContact CG-CG2 3.87Å
112	R	85.5	Confident	93.9	Very high	72 Å²	72	22.5 Å²	22.5	27%	0.272	12%	0.12	S	C	.	.	H	α-helix	trans	-61.2	-40.7	-176.5	-179.5	176.4	-176.3	163.4	7.8	111	S110 V115 D116 F309	S110-R112 VanDerWaalsContact C-N 3.31Å; S110-R112 PolarHBondContact O-N 3.44Å; R112-V115 PolarHBondContact O-N 3.04Å; R112-D116 WeakPolarHBondContact CG-OD2 3.48Å; R112-D116 IonicContact NE-OD2 3.48Å; R112-D116 WeakPolarHBondContact O-CB 3.25Å; R112-D116 VanDerWaalsContact O-CG 3.32Å; R112-D116 PolarHBondContact O-N 3.03Å; R112-F309 VanDerWaalsContact NH2-CD1 3.29Å; R112-F309 PolarHBondContact NH2-O 3.32Å
113	Q	86.5	Confident	93.9	Very high	15 Å²	15	23.8 Å²	23.8	7%	0.07	12%	0.123	C	C	.	.	H	α-helix	trans	-70.4	-40.2	-178.7	-175.6	169	-4.9	0	0	112.4	Q108 S110 K111 V115 D116 L117 Q177	Q108-Q113 HydrophobicContact CG-CG 4.37Å; Q108-Q113 VanDerWaalsContact OE1-CG 3.23Å; S110-Q113 PolarHBondContact O-N 2.85Å; K111-Q113 VanDerWaalsContact C-N 3.26Å; K111-Q113 PolarHBondContact O-N 2.8Å; Q113-V115 VanDerWaalsContact C-N 3.26Å; Q113-V115 PolarHBondContact O-N 3.04Å; Q113-D116 PolarHBondContact O-N 2.87Å; Q113-L117 HydrophobicContact CG-CD1 3.66Å; Q113-L117 HydrophobicContact CG-CG 4.09Å; Q113-L117 VanDerWaalsContact O-CB 3.27Å; Q113-L117 WeakPolarHBondContact O-CB 3.28Å; Q113-L117 WeakPolarHBondContact O-CG 3.37Å; Q113-L117 PolarHBondContact O-N 3.26Å; Q113-Q177 VanDerWaalsContact OE1-CD 3.29Å; Q113-Q177 VanDerWaalsContact OE1-OE1 3.05Å
114	A	93.6	Very high	93.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56	-43.7	172.6	0	0	0	0	0	111.6	Q108 S110 K111 A118 I137 Y151	Q108-A114 HydrophobicContact CB-CB 4.19Å; Q108-A114 HydrophobicContact CG-CB 4.16Å; S110-A114 PolarHBondContact O-N 2.94Å; S110-A114 VanDerWaalsContact O-N 3.17Å; K111-A114 PolarHBondContact O-N 3.33Å; A114-A118 VanDerWaalsContact O-CB 3.24Å; A114-A118 WeakPolarHBondContact O-CB 3.37Å; A114-A118 PolarHBondContact O-N 2.88Å; A114-A118 VanDerWaalsContact O-N 3.08Å; A114-I137 HydrophobicContact CB-CG2 3.95Å; A114-Y151 WeakPolarHBondContact O-CB 3.19Å
115	V	92.9	Very high	93.8	Very high	24 Å²	24	22.7 Å²	22.7	15%	0.145	12%	0.117	C	C	.	.	H	α-helix	trans	-67.9	-51.4	177.1	178.2	0	0	0	0	111.7	K111 R112 Q113 L117 A118 L119 Y135 I137	K111-V115 WeakPolarHBondContact O-CG2 3.28Å; K111-V115 PolarHBondContact O-N 3.14Å; R112-V115 PolarHBondContact O-N 3.04Å; Q113-V115 VanDerWaalsContact C-N 3.26Å; Q113-V115 PolarHBondContact O-N 3.04Å; V115-L117 VanDerWaalsContact C-N 3.34Å; V115-L117 PolarHBondContact O-N 3.25Å; V115-A118 PolarHBondContact O-N 3.45Å; V115-L119 HydrophobicContact CG1-CD1 3.82Å; V115-L119 HydrophobicContact CG1-CG 4.39Å; V115-L119 WeakPolarHBondContact O-CB 3.47Å; V115-L119 WeakPolarHBondContact O-CG 3.49Å; V115-L119 PolarHBondContact O-N 3.23Å; V115-Y135 HydrophobicContact CG1-CD1 4.46Å; V115-Y135 HydrophobicContact CG1-CE1 3.99Å; V115-Y135 HydrophobicContact CG2-CD1 4.4Å; V115-Y135 HydrophobicContact CG2-CD2 3.73Å; V115-Y135 HydrophobicContact CG2-CE1 4.34Å; V115-Y135 HydrophobicContact CG2-CE2 3.66Å; V115-Y135 HydrophobicContact CG2-CG 4.12Å; V115-I137 HydrophobicContact CG2-CD1 3.75Å; V115-I137 HydrophobicContact CG2-CG2 4.28Å
116	D	89.4	Confident	93.7	Very high	23 Å²	23	24.4 Å²	24.4	12%	0.123	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-40.9	-176.3	-75.6	-18.5	0	0	0	111.5	R112 Q113 H120	R112-D116 WeakPolarHBondContact CG-OD2 3.48Å; R112-D116 IonicContact NE-OD2 3.48Å; R112-D116 WeakPolarHBondContact O-CB 3.25Å; R112-D116 VanDerWaalsContact O-CG 3.32Å; R112-D116 PolarHBondContact O-N 3.03Å; Q113-D116 PolarHBondContact O-N 2.87Å; D116-H120 VanDerWaalsContact O-CB 3.3Å; D116-H120 WeakPolarHBondContact O-CB 3.35Å; D116-H120 PolarHBondContact O-N 3.16Å
117	L	93.2	Very high	93.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.7	-43	175.5	-72.7	172.3	0	0	0	111.9	T84 Q108 Q113 V115 L119 H120 V121 Y151 W336	T84-L117 HydrophobicContact CG2-CD2 3.69Å; Q108-L117 VanDerWaalsContact CD-CD1 3.4Å; Q108-L117 HydrophobicContact CG-CD1 4.16Å; Q113-L117 HydrophobicContact CG-CD1 3.66Å; Q113-L117 HydrophobicContact CG-CG 4.09Å; Q113-L117 VanDerWaalsContact O-CB 3.27Å; Q113-L117 WeakPolarHBondContact O-CB 3.28Å; Q113-L117 WeakPolarHBondContact O-CG 3.37Å; Q113-L117 PolarHBondContact O-N 3.26Å; V115-L117 VanDerWaalsContact C-N 3.34Å; V115-L117 PolarHBondContact O-N 3.25Å; L117-L119 PolarHBondContact O-N 2.9Å; L117-H120 PolarHBondContact O-N 3.43Å; L117-V121 VanDerWaalsContact O-CB 3.3Å; L117-V121 WeakPolarHBondContact O-CB 3.31Å; L117-V121 WeakPolarHBondContact O-CG2 3.31Å; L117-V121 PolarHBondContact O-N 3.49Å; L117-Y151 HydrophobicContact CB-CD1 3.93Å; L117-Y151 HydrophobicContact CB-CE1 3.73Å; L117-Y151 HydrophobicContact CB-CG 4.46Å; L117-Y151 HydrophobicContact CD1-CD1 4.28Å; L117-Y151 HydrophobicContact CD1-CE1 3.98Å; L117-Y151 HydrophobicContact CG-CE1 4.47Å; L117-W336 HydrophobicContact CD2-CD2 4.32Å; L117-W336 HydrophobicContact CD2-CG 4.37Å
118	A	96.6	Very high	93.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-45	177.7	0	0	0	0	0	111.9	A114 V115 V121 A122 I129 V133 Y135 Y151	A114-A118 VanDerWaalsContact O-CB 3.24Å; A114-A118 WeakPolarHBondContact O-CB 3.37Å; A114-A118 PolarHBondContact O-N 2.88Å; A114-A118 VanDerWaalsContact O-N 3.08Å; V115-A118 PolarHBondContact O-N 3.45Å; A118-V121 PolarHBondContact O-N 2.93Å; A118-A122 VanDerWaalsContact O-CB 3.28Å; A118-A122 WeakPolarHBondContact O-CB 3.36Å; A118-A122 PolarHBondContact O-N 2.91Å; A118-I129 HydrophobicContact CB-CD1 3.84Å; A118-V133 HydrophobicContact CB-CG1 4.43Å; A118-V133 WeakPolarHBondContact O-CG1 3.49Å; A118-Y135 HydrophobicContact CB-CD1 3.87Å; A118-Y135 HydrophobicContact CB-CG 4.37Å; A118-Y151 HydrophobicContact CB-CD2 3.8Å; A118-Y151 HydrophobicContact CB-CG 4.22Å
119	L	94.8	Very high	93.6	Very high	71 Å²	71	33.1 Å²	33.1	37%	0.372	17%	0.173	S	C	.	.	H	α-helix	trans	-61.1	-45.1	176.3	-73.8	170.1	0	0	0	111.7	V115 L117 D123 I129	V115-L119 HydrophobicContact CG1-CD1 3.82Å; V115-L119 HydrophobicContact CG1-CG 4.39Å; V115-L119 WeakPolarHBondContact O-CB 3.47Å; V115-L119 WeakPolarHBondContact O-CG 3.49Å; V115-L119 PolarHBondContact O-N 3.23Å; L117-L119 PolarHBondContact O-N 2.9Å; L119-D123 PolarHBondContact O-N 3.11Å; L119-I129 HydrophobicContact CD2-CB 4.07Å; L119-I129 HydrophobicContact CD2-CD1 4.38Å; L119-I129 HydrophobicContact CD2-CG1 3.84Å; L119-I129 HydrophobicContact CD2-CG2 3.95Å
120	H	93.4	Very high	93.8	Very high	41 Å²	41	32.2 Å²	32.2	19%	0.19	17%	0.166	C	C	.	.	H	α-helix	trans	-67.7	-42.7	180	-179.1	58.8	0	0	0	112.3	D116 L117 D123 E124 W336	D116-H120 VanDerWaalsContact O-CB 3.3Å; D116-H120 WeakPolarHBondContact O-CB 3.35Å; D116-H120 PolarHBondContact O-N 3.16Å; L117-H120 PolarHBondContact O-N 3.43Å; H120-D123 WeakPolarHBondContact O-CB 3.27Å; H120-D123 PolarHBondContact O-N 3.29Å; H120-E124 IonicContact CD2-OE1 3.92Å; H120-E124 IonicContact CE1-OE1 2.66Å; H120-E124 IonicContact NE2-OE1 2.84Å; H120-E124 PolarHBondContact NE2-OE1 3.46Å; H120-E124 VanDerWaalsContact NE2-OE1 3.16Å; H120-E124 WeakPolarHBondContact O-CG 3.28Å; H120-E124 PolarHBondContact O-N 3.32Å; H120-W336 HydrophobicContact CB-CH2 3.66Å; H120-W336 HydrophobicContact CB-CZ2 3.8Å; H120-W336 AromaticContact CD2-CH2 3.23Å; H120-W336 WeakPolarHBondContact CD2-CH2 3.38Å; H120-W336 AromaticContact CD2-CZ3 3.52Å; H120-W336 AromaticContact CE1-CH2 3.84Å; H120-W336 AromaticContact CG-CH2 3.24Å; H120-W336 AromaticContact CG-CZ2 3.9Å; H120-W336 AromaticContact CG-CZ3 3.99Å; H120-W336 AromaticContact ND1-CH2 3.64Å; H120-W336 AromaticContact NE2-CH2 3.59Å; H120-W336 AromaticContact NE2-CZ3 3.51Å
121	V	96.9	Very high	94.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71.5	-32.6	179.9	169.7	0	0	0	0	111.7	T84 Q88 L117 A118 D123 E124 M125 V133 L149 Y151	T84-V121 HydrophobicContact CG2-CG2 4.28Å; Q88-V121 HydrophobicContact CG-CG1 3.61Å; L117-V121 VanDerWaalsContact O-CB 3.3Å; L117-V121 WeakPolarHBondContact O-CB 3.31Å; L117-V121 WeakPolarHBondContact O-CG2 3.31Å; L117-V121 PolarHBondContact O-N 3.49Å; A118-V121 PolarHBondContact O-N 2.93Å; V121-D123 VanDerWaalsContact C-N 3.29Å; V121-D123 PolarHBondContact O-N 3.3Å; V121-E124 PolarHBondContact O-N 3.25Å; V121-M125 HydrophobicContact CG1-CG 4.11Å; V121-M125 HydrophobicContact CG1-SD 3.77Å; V121-M125 VanDerWaalsContact O-CB 3.29Å; V121-M125 WeakPolarHBondContact O-CB 3.48Å; V121-M125 VanDerWaalsContact O-CG 3.3Å; V121-M125 WeakPolarHBondContact O-CG 3.47Å; V121-M125 PolarHBondContact O-N 3.46Å; V121-V133 HydrophobicContact CG1-CG1 4.43Å; V121-V133 HydrophobicContact CG1-CG2 4.41Å; V121-L149 HydrophobicContact CG1-CD2 3.81Å; V121-Y151 HydrophobicContact CB-CE2 4.17Å; V121-Y151 HydrophobicContact CG1-CE2 4.33Å; V121-Y151 HydrophobicContact CG2-CE2 4.34Å; V121-Y151 WeakPolarHBondContact CG2-OH 3.39Å
122	A	97.6	Very high	94.5	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-43.1	169.2	0	0	0	0	0	111.4	A118 M125 D126 V127 I129 V133	A118-A122 VanDerWaalsContact O-CB 3.28Å; A118-A122 WeakPolarHBondContact O-CB 3.36Å; A118-A122 PolarHBondContact O-N 2.91Å; A122-M125 CarbonylContact O-C 3.57Å; A122-M125 PolarHBondContact O-N 3.12Å; A122-D126 PolarHBondContact O-N 3.3Å; A122-V127 HydrophobicContact CB-CG2 4.24Å; A122-V127 PolarHBondContact O-N 2.86Å; A122-I129 HydrophobicContact CB-CB 4.21Å; A122-I129 HydrophobicContact CB-CD1 4.2Å; A122-V133 HydrophobicContact CB-CB 3.98Å; A122-V133 HydrophobicContact CB-CG1 4.14Å
123	D	95.7	Very high	95.2	Very high	39 Å²	39	27.2 Å²	27.2	21%	0.209	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-41.5	175.4	-166.9	27.4	0	0	0	112.1	R42 L46 L119 H120 V121 M125 D126	R42-D123 WeakPolarHBondContact CD-OD1 3.43Å; R42-D123 IonicContact CZ-OD1 3.14Å; R42-D123 IonicContact CZ-OD2 2.85Å; R42-D123 VanDerWaalsContact CZ-OD2 3.31Å; R42-D123 VanDerWaalsContact NE-CG 3.33Å; R42-D123 IonicContact NE-OD1 2.62Å; R42-D123 PolarHBondContact NE-OD1 3.36Å; R42-D123 IonicContact NE-OD2 2.8Å; R42-D123 PolarHBondContact NE-OD2 2.97Å; R42-D123 VanDerWaalsContact NE-OD2 3.1Å; R42-D123 IonicContact NH2-OD1 3.16Å; R42-D123 IonicContact NH2-OD2 2.67Å; R42-D123 PolarHBondContact NH2-OD2 3.23Å; L46-D123 HydrophobicContact CD1-CB 4.48Å; L119-D123 PolarHBondContact O-N 3.11Å; H120-D123 WeakPolarHBondContact O-CB 3.27Å; H120-D123 PolarHBondContact O-N 3.29Å; V121-D123 VanDerWaalsContact C-N 3.29Å; V121-D123 PolarHBondContact O-N 3.3Å; D123-M125 VanDerWaalsContact C-N 3.32Å; D123-M125 PolarHBondContact O-N 3.18Å; D123-D126 PolarHBondContact O-N 2.85Å
124	E	96.4	Very high	95.7	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-31.5	175.9	-71	-165.2	155	0	0	113.7	Y43 L46 R50 Q85 Q88 H120 V121 D126	Y43-E124 WeakPolarHBondContact CD2-O 3.38Å; L46-E124 HydrophobicContact CD1-CG 4.5Å; R50-E124 VanDerWaalsContact CD-CD 3.46Å; R50-E124 HydrophobicContact CG-CG 4.49Å; R50-E124 VanDerWaalsContact CG-OE1 3.28Å; R50-E124 WeakPolarHBondContact CG-OE1 3.4Å; R50-E124 IonicContact NE-OE2 2.69Å; R50-E124 PolarHBondContact NE-OE2 3.07Å; R50-E124 PolarHBondContact NH1-O 3.04Å; Q85-E124 PolarHBondContact NE2-OE1 3.05Å; Q85-E124 PolarHBondContact NE2-OE2 2.88Å; Q88-E124 PolarHBondContact NE2-OE2 3.33Å; H120-E124 IonicContact CD2-OE1 3.92Å; H120-E124 IonicContact CE1-OE1 2.66Å; H120-E124 IonicContact NE2-OE1 2.84Å; H120-E124 PolarHBondContact NE2-OE1 3.46Å; H120-E124 VanDerWaalsContact NE2-OE1 3.16Å; H120-E124 WeakPolarHBondContact O-CG 3.28Å; H120-E124 PolarHBondContact O-N 3.32Å; V121-E124 PolarHBondContact O-N 3.25Å; E124-D126 VanDerWaalsContact C-N 3.32Å
125	M	97.3	Very high	96	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.034	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.4	176	-69.2	-177.9	69.7	0	0	112.9	N32 F34 Q88 V121 A122 D123 V127 V133 L149	N32-M125 PolarHBondContact ND2-O 2.99Å; F34-M125 HydrophobicContact CD1-CE 4.21Å; F34-M125 HydrophobicContact CD2-CE 3.65Å; F34-M125 HydrophobicContact CE1-CE 3.95Å; F34-M125 HydrophobicContact CE2-CE 3.36Å; F34-M125 HydrophobicContact CG-CE 4.08Å; F34-M125 HydrophobicContact CZ-CE 3.52Å; Q88-M125 HydrophobicContact CG-CG 3.83Å; Q88-M125 HydrophobicContact CG-SD 3.76Å; V121-M125 HydrophobicContact CG1-CG 4.11Å; V121-M125 HydrophobicContact CG1-SD 3.77Å; V121-M125 VanDerWaalsContact O-CB 3.29Å; V121-M125 WeakPolarHBondContact O-CB 3.48Å; V121-M125 VanDerWaalsContact O-CG 3.3Å; V121-M125 WeakPolarHBondContact O-CG 3.47Å; V121-M125 PolarHBondContact O-N 3.46Å; A122-M125 CarbonylContact O-C 3.57Å; A122-M125 PolarHBondContact O-N 3.12Å; D123-M125 VanDerWaalsContact C-N 3.32Å; D123-M125 PolarHBondContact O-N 3.18Å; M125-V127 VanDerWaalsContact C-N 3.31Å; M125-V127 HydrophobicContact CB-CG2 3.96Å; M125-V127 PolarHBondContact O-N 3.46Å; M125-V133 HydrophobicContact CE-CG2 4.23Å; M125-V133 HydrophobicContact SD-CG2 3.42Å; M125-V133 WeakPolarHBondContact SD-CG2 3.44Å; M125-L149 HydrophobicContact SD-CD2 4.15Å
126	D	97.5	Very high	96.2	Very high	35 Å²	35	27.2 Å²	27.2	19%	0.187	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	42.3	-179.2	-154.5	42.6	0	0	0	113.3	N32 F39 S40 Y43 A122 D123 E124	N32-D126 PolarHBondContact ND2-O 3.27Å; F39-D126 WeakPolarHBondContact CA-OD2 3.38Å; F39-D126 HydrophobicContact CD1-CB 4.1Å; S40-D126 WeakPolarHBondContact CB-OD1 3.49Å; S40-D126 VanDerWaalsContact CB-OD2 3.32Å; S40-D126 WeakPolarHBondContact CB-OD2 3.33Å; S40-D126 PolarHBondContact N-OD2 2.89Å; S40-D126 VanDerWaalsContact OG-CG 3.26Å; S40-D126 PolarHBondContact OG-OD1 3.35Å; S40-D126 PolarHBondContact OG-OD2 2.58Å; Y43-D126 HydrophobicContact CD2-CB 3.97Å; Y43-D126 HydrophobicContact CG-CB 4.22Å; A122-D126 PolarHBondContact O-N 3.3Å; D123-D126 PolarHBondContact O-N 2.85Å; E124-D126 VanDerWaalsContact C-N 3.32Å
127	V	97.3	Very high	96.4	Very high	13 Å²	13	26.8 Å²	26.8	8%	0.079	14%	0.139	C	C	.	.			trans	-125.5	163.6	179.7	-64.2	0	0	0	0	111.4	F34 A122 M125 E132 V133	F34-V127 HydrophobicContact CB-CG1 4.43Å; A122-V127 HydrophobicContact CB-CG2 4.24Å; A122-V127 PolarHBondContact O-N 2.86Å; M125-V127 VanDerWaalsContact C-N 3.31Å; M125-V127 HydrophobicContact CB-CG2 3.96Å; M125-V127 PolarHBondContact O-N 3.46Å; V127-E132 HydrophobicContact CB-CB 4.27Å; V127-E132 HydrophobicContact CG1-CB 4.16Å; V127-E132 HydrophobicContact CG1-CG 4.24Å; V127-E132 HydrophobicContact CG2-CB 4.23Å; V127-V133 HydrophobicContact CG2-CB 4.19Å; V127-V133 HydrophobicContact CG2-CG2 3.8Å
128	N	95.1	Very high	96.3	Very high	116 Å²	116	28 Å²	28	62%	0.62	15%	0.147	S	C	*	.			trans	-82.7	130.4	176.8	-67.9	-52.4	0	0	0	111	G130 H131	N128-G130 PolarHBondContact O-N 2.88Å; N128-H131 WeakPolarHBondContact O-CB 3.31Å; N128-H131 PolarHBondContact O-N 3.5Å; N128-H131 VanDerWaalsContact O-N 3.08Å
129	I	96.8	Very high	95.9	Very high	55 Å²	55	31.3 Å²	31.3	28%	0.282	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-56	135.4	172.8	-172	69.8	0	0	0	110.9	A118 L119 A122 H131 V133 Y135	A118-I129 HydrophobicContact CB-CD1 3.84Å; L119-I129 HydrophobicContact CD2-CB 4.07Å; L119-I129 HydrophobicContact CD2-CD1 4.38Å; L119-I129 HydrophobicContact CD2-CG1 3.84Å; L119-I129 HydrophobicContact CD2-CG2 3.95Å; A122-I129 HydrophobicContact CB-CB 4.21Å; A122-I129 HydrophobicContact CB-CD1 4.2Å; I129-H131 VanDerWaalsContact C-N 3.33Å; I129-V133 HydrophobicContact CD1-CG1 4.46Å; I129-Y135 HydrophobicContact CD1-CD1 4.18Å; I129-Y135 HydrophobicContact CD1-CE1 4.48Å; I129-Y135 HydrophobicContact CG1-CD1 4.48Å; I129-Y135 HydrophobicContact CG1-CE1 4.31Å
130	G	95.1	Very high	95.8	Very high	10 Å²	10	32.3 Å²	32.3	10%	0.103	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	-14.5	-176.3	0	0	0	0	0	114.4	N128 V133 C143 S144 T147	N128-G130 PolarHBondContact O-N 2.88Å; G130-V133 PolarHBondContact N-O 2.92Å; G130-C143 CarbonylContact O-C 3.59Å; G130-S144 WeakPolarHBondContact O-CB 3.35Å; G130-S144 PolarHBondContact O-N 3.3Å; G130-S144 PolarHBondContact O-OG 2.94Å; G130-T147 PolarHBondContact O-OG1 2.83Å
131	H	96.2	Very high	95.8	Very high	86 Å²	86	34.9 Å²	34.9	40%	0.398	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-110.4	167.8	-67.7	-92.6	0	0	0	108.9	N128 I129 V133 T147	N128-H131 WeakPolarHBondContact O-CB 3.31Å; N128-H131 PolarHBondContact O-N 3.5Å; N128-H131 VanDerWaalsContact O-N 3.08Å; I129-H131 VanDerWaalsContact C-N 3.33Å; H131-V133 PolarHBondContact O-N 3.49Å; H131-T147 WeakPolarHBondContact O-CA 3.44Å; H131-T147 VanDerWaalsContact O-CB 3.25Å; H131-T147 WeakPolarHBondContact O-CB 3.46Å; H131-T147 PolarHBondContact O-N 3.49Å; H131-T147 PolarHBondContact O-OG1 3.27Å
132	E	97.9	Very high	95.8	Very high	25 Å²	25	36.4 Å²	36.4	12%	0.117	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-34.7	-172.8	-63.1	73.1	-159.9	0	0	112.8	F34 V127 V148 L149	F34-E132 HydrophobicContact CB-CB 4.45Å; F34-E132 HydrophobicContact CB-CG 3.98Å; V127-E132 HydrophobicContact CB-CB 4.27Å; V127-E132 HydrophobicContact CG1-CB 4.16Å; V127-E132 HydrophobicContact CG1-CG 4.24Å; V127-E132 HydrophobicContact CG2-CB 4.23Å; E132-V148 HydrophobicContact CB-CG2 4.24Å; E132-V148 WeakPolarHBondContact O-CG2 3.27Å; E132-V148 PolarHBondContact O-N 3.06Å; E132-L149 PolarHBondContact O-N 3.25Å
133	V	98.6	Very high	95.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135	172	179.1	0	0	0	0	109	A118 V121 A122 M125 V127 I129 G130 H131 L149	A118-V133 HydrophobicContact CB-CG1 4.43Å; A118-V133 WeakPolarHBondContact O-CG1 3.49Å; V121-V133 HydrophobicContact CG1-CG1 4.43Å; V121-V133 HydrophobicContact CG1-CG2 4.41Å; A122-V133 HydrophobicContact CB-CB 3.98Å; A122-V133 HydrophobicContact CB-CG1 4.14Å; M125-V133 HydrophobicContact CE-CG2 4.23Å; M125-V133 HydrophobicContact SD-CG2 3.42Å; M125-V133 WeakPolarHBondContact SD-CG2 3.44Å; V127-V133 HydrophobicContact CG2-CB 4.19Å; V127-V133 HydrophobicContact CG2-CG2 3.8Å; I129-V133 HydrophobicContact CD1-CG1 4.46Å; G130-V133 PolarHBondContact N-O 2.92Å; H131-V133 PolarHBondContact O-N 3.49Å; V133-L149 WeakPolarHBondContact CA-O 3.24Å; V133-L149 HydrophobicContact CG2-CB 4.39Å; V133-L149 HydrophobicContact CG2-CD2 4.41Å
134	G	98.3	Very high	95.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	178.7	-179.2	0	0	0	0	0	113.7	C142 L149 R150 Y151	G134-C142 CarbonylContact C-O 3.55Å; G134-C142 WeakPolarHBondContact CA-O 3.47Å; G134-L149 PolarHBondContact N-O 3.36Å; G134-R150 WeakPolarHBondContact O-CA 3.4Å; G134-Y151 PolarHBondContact O-N 3.24Å
135	Y	98.3	Very high	95.7	Very high	21 Å²	21	44 Å²	44	8%	0.082	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.1	172	64.2	-94.3	0	0	0	114.4	V115 A118 I129 I137 E140 C142 C143 Y151	V115-Y135 HydrophobicContact CG1-CD1 4.46Å; V115-Y135 HydrophobicContact CG1-CE1 3.99Å; V115-Y135 HydrophobicContact CG2-CD1 4.4Å; V115-Y135 HydrophobicContact CG2-CD2 3.73Å; V115-Y135 HydrophobicContact CG2-CE1 4.34Å; V115-Y135 HydrophobicContact CG2-CE2 3.66Å; V115-Y135 HydrophobicContact CG2-CG 4.12Å; A118-Y135 HydrophobicContact CB-CD1 3.87Å; A118-Y135 HydrophobicContact CB-CG 4.37Å; I129-Y135 HydrophobicContact CD1-CD1 4.18Å; I129-Y135 HydrophobicContact CD1-CE1 4.48Å; I129-Y135 HydrophobicContact CG1-CD1 4.48Å; I129-Y135 HydrophobicContact CG1-CE1 4.31Å; Y135-I137 HydrophobicContact CD2-CG1 4.31Å; Y135-I137 HydrophobicContact CD2-CG2 4.35Å; Y135-I137 HydrophobicContact CE2-CG1 4.38Å; Y135-E140 HydrophobicContact CE2-CG 4.06Å; Y135-E140 WeakPolarHBondContact CE2-OE1 3.13Å; Y135-E140 PolarHBondContact OH-OE1 2.89Å; Y135-C142 HydrophobicContact CD1-CB 3.92Å; Y135-C142 HydrophobicContact CD2-CB 4.27Å; Y135-C142 HydrophobicContact CE1-CB 3.5Å; Y135-C142 HydrophobicContact CE2-CB 3.89Å; Y135-C142 HydrophobicContact CG-CB 4.28Å; Y135-C142 VanDerWaalsContact CZ-CB 3.49Å; Y135-C142 PolarHBondContact N-O 2.84Å; Y135-C142 PolarHBondContact O-N 3.19Å; Y135-C143 PolarHBondContact O-SG 3.21Å; Y135-C143 VanDerWaalsContact O-SG 3.32Å; Y135-Y151 CarbonylContact C-O 3.6Å; Y135-Y151 WeakPolarHBondContact CA-O 3.35Å; Y135-Y151 WeakPolarHBondContact CB-O 3.24Å
136	T	97.6	Very high	95.6	Very high	18 Å²	18	47.7 Å²	47.7	11%	0.11	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	116.9	170.6	-58.1	0	0	0	0	109.9	R150 Y151 C152 T153 M156	T136-R150 WeakPolarHBondContact OG1-CD 3.49Å; T136-Y151 PolarHBondContact N-O 3.15Å; T136-C152 WeakPolarHBondContact O-CA 3.46Å; T136-C152 WeakPolarHBondContact O-CB 3.45Å; T136-T153 PolarHBondContact O-N 2.65Å; T136-M156 HydrophobicContact CG2-CB 4.35Å; T136-M156 HydrophobicContact CG2-CG 4.21Å; T136-M156 HydrophobicContact CG2-SD 4.37Å
137	I	95.1	Very high	95.6	Very high	14 Å²	14	46.5 Å²	46.5	7%	0.072	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	166.2	174.9	63.1	169.5	0	0	0	108.6	K111 A114 V115 Y135 L139 E140 T153	K111-I137 HydrophobicContact CB-CB 4.29Å; K111-I137 HydrophobicContact CB-CD1 4.15Å; K111-I137 HydrophobicContact CB-CG2 4.23Å; K111-I137 HydrophobicContact CG-CB 4.3Å; A114-I137 HydrophobicContact CB-CG2 3.95Å; V115-I137 HydrophobicContact CG2-CD1 3.75Å; V115-I137 HydrophobicContact CG2-CG2 4.28Å; Y135-I137 HydrophobicContact CD2-CG1 4.31Å; Y135-I137 HydrophobicContact CD2-CG2 4.35Å; Y135-I137 HydrophobicContact CE2-CG1 4.38Å; I137-L139 PolarHBondContact O-N 3.42Å; I137-E140 HydrophobicContact CD1-CB 4.22Å; I137-E140 HydrophobicContact CG1-CB 3.82Å; I137-E140 PolarHBondContact N-O 3.49Å; I137-E140 CarbonylContact O-C 3.48Å; I137-E140 PolarHBondContact O-N 3.36Å; I137-E140 VanDerWaalsContact O-N 3.11Å; I137-T153 HydrophobicContact CG2-CG2 4.14Å
138	P	89.9	Confident	95.7	Very high	26 Å²	26	46.7 Å²	46.7	17%	0.169	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	131.1	178.1	-24.6	33.6	0	0	0	111.3	K111 E140 M156	K111-P138 HydrophobicContact CD-CG 4.42Å; P138-E140 VanDerWaalsContact C-N 3.25Å; P138-E140 PolarHBondContact O-N 2.9Å; P138-M156 HydrophobicContact CB-CE 4.29Å; P138-M156 HydrophobicContact CB-SD 4.47Å; P138-M156 HydrophobicContact CG-CE 3.76Å; P138-M156 HydrophobicContact CG-CG 4.42Å; P138-M156 HydrophobicContact CG-SD 4.1Å
139	L	88.8	Confident	95.8	Very high	68 Å²	68	41.1 Å²	41.1	36%	0.356	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	-3.9	-177.8	-51.3	166.1	0	0	0	116.4	I137 I566 A569 I570 E573	I137-L139 PolarHBondContact O-N 3.42Å; L139-I566 HydrophobicContact CD1-CG2 3.79Å; L139-A569 HydrophobicContact CD1-CB 4.47Å; L139-A569 HydrophobicContact CD2-CB 4.06Å; L139-I570 HydrophobicContact CD1-CD1 4.36Å; L139-I570 HydrophobicContact CD1-CG1 3.77Å; L139-I570 HydrophobicContact CD2-CB 4.41Å; L139-I570 HydrophobicContact CD2-CG1 3.69Å; L139-I570 HydrophobicContact CG-CG1 4.3Å; L139-E573 WeakPolarHBondContact CD2-OE2 3.29Å
140	E	91.6	Very high	95.9	Very high	93 Å²	93	39.7 Å²	39.7	44%	0.435	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	127.3	-175.4	-169.7	-176.3	159.8	0	0	111.9	Y135 I137 P138	Y135-E140 HydrophobicContact CE2-CG 4.06Å; Y135-E140 WeakPolarHBondContact CE2-OE1 3.13Å; Y135-E140 PolarHBondContact OH-OE1 2.89Å; I137-E140 HydrophobicContact CD1-CB 4.22Å; I137-E140 HydrophobicContact CG1-CB 3.82Å; I137-E140 PolarHBondContact N-O 3.49Å; I137-E140 CarbonylContact O-C 3.48Å; I137-E140 PolarHBondContact O-N 3.36Å; I137-E140 VanDerWaalsContact O-N 3.11Å; P138-E140 VanDerWaalsContact C-N 3.25Å; P138-E140 PolarHBondContact O-N 2.9Å
141	T	95.1	Very high	96.1	Very high	94 Å²	94	39.2 Å²	39.2	58%	0.577	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	121.4	176.3	-58.5	0	0	0	0	109.2	C143	T141-C143 HydrophobicContact CG2-CB 4.07Å
142	C	96.9	Very high	96.2	Very high	33 Å²	33	35.1 Å²	35.1	22%	0.223	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	74.6	173.3	-169.8	0	0	0	0	107.8	G134 Y135	G134-C142 CarbonylContact C-O 3.55Å; G134-C142 WeakPolarHBondContact CA-O 3.47Å; Y135-C142 HydrophobicContact CD1-CB 3.92Å; Y135-C142 HydrophobicContact CD2-CB 4.27Å; Y135-C142 HydrophobicContact CE1-CB 3.5Å; Y135-C142 HydrophobicContact CE2-CB 3.89Å; Y135-C142 HydrophobicContact CG-CB 4.28Å; Y135-C142 VanDerWaalsContact CZ-CB 3.49Å; Y135-C142 PolarHBondContact N-O 2.84Å; Y135-C142 PolarHBondContact O-N 3.19Å
143	C	96.8	Very high	96.2	Very high	44 Å²	44	34.1 Å²	34.1	30%	0.297	20%	0.201	S	C	.	.			trans	-143.6	158.5	178.4	-60.3	0	0	0	0	109.4	G130 Y135 T141 T147	G130-C143 CarbonylContact O-C 3.59Å; Y135-C143 PolarHBondContact O-SG 3.21Å; Y135-C143 VanDerWaalsContact O-SG 3.32Å; T141-C143 HydrophobicContact CG2-CB 4.07Å; C143-T147 WeakPolarHBondContact CA-OG1 3.36Å; C143-T147 HydrophobicContact CB-CG2 4.38Å
144	S	96.1	Very high	96.1	Very high	48 Å²	48	34.4 Å²	34.4	34%	0.336	20%	0.202	S	C	.	.			trans	-131.3	-176.4	173.9	64.2	0	0	0	0	110	G130 D146 T147	G130-S144 WeakPolarHBondContact O-CB 3.35Å; G130-S144 PolarHBondContact O-N 3.3Å; G130-S144 PolarHBondContact O-OG 2.94Å; S144-D146 PolarHBondContact O-N 3.46Å; S144-D146 PolarHBondContact OG-N 2.98Å; S144-T147 PolarHBondContact N-OG1 3.5Å; S144-T147 PolarHBondContact O-N 3.34Å; S144-T147 PolarHBondContact O-OG1 3.38Å
145	S	94.4	Very high	95.9	Very high	118 Å²	118	39 Å²	39	83%	0.825	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.6	170.9	50.9	0	0	0	0	113.3
146	D	94.6	Very high	95.7	Very high	84 Å²	84	38.7 Å²	38.7	45%	0.449	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.1	-173.1	-50.4	-24.3	0	0	0	111.4	S144 V148	S144-D146 PolarHBondContact O-N 3.46Å; S144-D146 PolarHBondContact OG-N 2.98Å; D146-V148 PolarHBondContact O-N 3.36Å
147	T	97.8	Very high	95.7	Very high	10 Å²	10	37.9 Å²	37.9	6%	0.061	22%	0.221	C	C	.	.			trans	-66.5	117	-179.4	-55.8	0	0	0	0	111.4	L103 G130 H131 C143 S144 R150	L103-T147 VanDerWaalsContact CD1-O 3.28Å; L103-T147 WeakPolarHBondContact CD1-O 3.38Å; G130-T147 PolarHBondContact O-OG1 2.83Å; H131-T147 WeakPolarHBondContact O-CA 3.44Å; H131-T147 VanDerWaalsContact O-CB 3.25Å; H131-T147 WeakPolarHBondContact O-CB 3.46Å; H131-T147 PolarHBondContact O-N 3.49Å; H131-T147 PolarHBondContact O-OG1 3.27Å; C143-T147 WeakPolarHBondContact CA-OG1 3.36Å; C143-T147 HydrophobicContact CB-CG2 4.38Å; S144-T147 PolarHBondContact N-OG1 3.5Å; S144-T147 PolarHBondContact O-N 3.34Å; S144-T147 PolarHBondContact O-OG1 3.38Å; T147-R150 HydrophobicContact CG2-CB 4.27Å
148	V	97.9	Very high	95.8	Very high	17 Å²	17	37.9 Å²	37.9	10%	0.103	22%	0.221	C	C	.	.			trans	-104.6	-25.6	179	-60	0	0	0	0	113.4	F34 F99 L103 V104 E132 D146	F34-V148 HydrophobicContact CD1-CG2 4.02Å; F34-V148 HydrophobicContact CE1-CG2 4.23Å; F99-V148 HydrophobicContact CE1-CB 3.76Å; F99-V148 HydrophobicContact CE1-CG1 3.84Å; F99-V148 HydrophobicContact CE2-CG1 4.15Å; F99-V148 HydrophobicContact CZ-CB 3.89Å; F99-V148 HydrophobicContact CZ-CG1 3.6Å; F99-V148 HydrophobicContact CZ-CG2 4.39Å; L103-V148 HydrophobicContact CD2-CB 4.4Å; L103-V148 HydrophobicContact CD2-CG1 4.29Å; V104-V148 PolarHBondContact N-O 3.15Å; E132-V148 HydrophobicContact CB-CG2 4.24Å; E132-V148 WeakPolarHBondContact O-CG2 3.27Å; E132-V148 PolarHBondContact O-N 3.06Å; D146-V148 PolarHBondContact O-N 3.36Å
149	L	98.6	Very high	95.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.8	174.2	170.9	58.4	0	0	0	109.7	P87 A91 V104 V121 M125 E132 V133 G134 Y151	P87-L149 HydrophobicContact CB-CD1 3.77Å; P87-L149 HydrophobicContact CB-CD2 3.96Å; A91-L149 HydrophobicContact CB-CB 4.42Å; V104-L149 HydrophobicContact CB-CD1 3.91Å; V104-L149 HydrophobicContact CG1-CD1 3.63Å; V121-L149 HydrophobicContact CG1-CD2 3.81Å; M125-L149 HydrophobicContact SD-CD2 4.15Å; E132-L149 PolarHBondContact O-N 3.25Å; V133-L149 WeakPolarHBondContact CA-O 3.24Å; V133-L149 HydrophobicContact CG2-CB 4.39Å; V133-L149 HydrophobicContact CG2-CD2 4.41Å; G134-L149 PolarHBondContact N-O 3.36Å; L149-Y151 HydrophobicContact CD1-CE2 4.38Å; L149-Y151 HydrophobicContact CD2-CE2 4.04Å; L149-Y151 HydrophobicContact CG-CE2 4.12Å
150	R	98.6	Very high	96.2	Very high	25 Å²	25	40 Å²	40	9%	0.094	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.9	179.9	-173.1	-179.7	68.1	137.2	3.1	111.4	V104 V105 C106 G134 T136 T147 E160 Y170	V104-R150 PolarHBondContact O-N 2.86Å; V105-R150 CarbonylContact C-O 3.53Å; V105-R150 VanDerWaalsContact CA-O 3.28Å; V105-R150 WeakPolarHBondContact CA-O 3.35Å; C106-R150 PolarHBondContact N-O 2.81Å; G134-R150 WeakPolarHBondContact O-CA 3.4Å; T136-R150 WeakPolarHBondContact OG1-CD 3.49Å; T147-R150 HydrophobicContact CG2-CB 4.27Å; R150-E160 IonicContact CZ-OE2 3.87Å; R150-E160 IonicContact NH1-OE2 3.43Å; R150-E160 PolarHBondContact NH1-OE2 3.44Å; R150-E160 IonicContact NH2-OE1 2.73Å; R150-E160 IonicContact NH2-OE2 3.58Å; R150-E160 PolarHBondContact NH2-OE2 2.9Å; R150-Y170 PolarHBondContact NE-OH 3.42Å; R150-Y170 VanDerWaalsContact NH2-CZ 3.27Å; R150-Y170 PolarHBondContact NH2-OH 2.96Å
151	Y	98.7	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	136	164.3	-72.3	-94.9	0	0	0	110.2	S83 P87 C106 Q108 A114 L117 A118 V121 G134 Y135 T136 L149	S83-Y151 PolarHBondContact O-OH 3.39Å; P87-Y151 WeakPolarHBondContact CB-OH 3.42Å; P87-Y151 HydrophobicContact CG-CE1 4.34Å; P87-Y151 WeakPolarHBondContact CG-OH 3.21Å; C106-Y151 HydrophobicContact CB-CD1 3.77Å; C106-Y151 HydrophobicContact CB-CE1 3.82Å; C106-Y151 HydrophobicContact CB-CG 4.39Å; C106-Y151 CarbonylContact O-C 3.59Å; C106-Y151 VanDerWaalsContact O-CA 3.31Å; C106-Y151 WeakPolarHBondContact O-CA 3.4Å; Q108-Y151 HydrophobicContact CG-CD1 4.3Å; A114-Y151 WeakPolarHBondContact O-CB 3.19Å; L117-Y151 HydrophobicContact CB-CD1 3.93Å; L117-Y151 HydrophobicContact CB-CE1 3.73Å; L117-Y151 HydrophobicContact CB-CG 4.46Å; L117-Y151 HydrophobicContact CD1-CD1 4.28Å; L117-Y151 HydrophobicContact CD1-CE1 3.98Å; L117-Y151 HydrophobicContact CG-CE1 4.47Å; A118-Y151 HydrophobicContact CB-CD2 3.8Å; A118-Y151 HydrophobicContact CB-CG 4.22Å; V121-Y151 HydrophobicContact CB-CE2 4.17Å; V121-Y151 HydrophobicContact CG1-CE2 4.33Å; V121-Y151 HydrophobicContact CG2-CE2 4.34Å; V121-Y151 WeakPolarHBondContact CG2-OH 3.39Å; G134-Y151 PolarHBondContact O-N 3.24Å; Y135-Y151 CarbonylContact C-O 3.6Å; Y135-Y151 WeakPolarHBondContact CA-O 3.35Å; Y135-Y151 WeakPolarHBondContact CB-O 3.24Å; T136-Y151 PolarHBondContact N-O 3.15Å; L149-Y151 HydrophobicContact CD1-CE2 4.38Å; L149-Y151 HydrophobicContact CD2-CE2 4.04Å; L149-Y151 HydrophobicContact CG-CE2 4.12Å
152	C	98.3	Very high	96.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	168.8	175.9	70.2	0	0	0	0	111.9	V105 C106 T107 Q108 T136 M156	V105-C152 WeakPolarHBondContact CG2-SG 3.34Å; C106-C152 PolarHBondContact O-N 3.27Å; T107-C152 CarbonylContact C-O 3.59Å; T107-C152 VanDerWaalsContact CA-O 3.26Å; T107-C152 WeakPolarHBondContact CA-O 3.3Å; Q108-C152 PolarHBondContact N-O 3.44Å; T136-C152 WeakPolarHBondContact O-CA 3.46Å; T136-C152 WeakPolarHBondContact O-CB 3.45Å; C152-M156 HydrophobicContact CB-CB 4.19Å
153	T	97.4	Very high	95.8	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.025	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	156.7	166.9	58.8	0	0	0	0	111.2	Q108 K111 T136 I137 D155 M156 L157	Q108-T153 VanDerWaalsContact O-CA 3.28Å; Q108-T153 WeakPolarHBondContact O-CA 3.45Å; K111-T153 HydrophobicContact CB-CG2 4.29Å; K111-T153 HydrophobicContact CG-CG2 3.87Å; T136-T153 PolarHBondContact O-N 2.65Å; I137-T153 HydrophobicContact CG2-CG2 4.14Å; T153-D155 PolarHBondContact O-N 3.15Å; T153-M156 PolarHBondContact O-N 2.93Å; T153-M156 WeakPolarHBondContact OG1-CG 3.2Å; T153-L157 PolarHBondContact O-N 3Å
154	D	96.8	Very high	95.7	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.027	20%	0.196	C	C	.	.	H	α-helix	trans	-49.4	-46.9	175.5	-61.8	-20.1	0	0	0	112	T107 Q108 M156 L157 L158 T182 T185 L188	T107-D154 VanDerWaalsContact CB-OD1 3.22Å; T107-D154 WeakPolarHBondContact CB-OD1 3.32Å; T107-D154 PolarHBondContact OG1-OD1 3.27Å; Q108-D154 PolarHBondContact O-N 3.12Å; D154-M156 VanDerWaalsContact C-N 3.26Å; D154-M156 PolarHBondContact O-N 3.01Å; D154-L157 PolarHBondContact O-N 2.79Å; D154-L158 WeakPolarHBondContact O-CG 3.45Å; D154-L158 PolarHBondContact O-N 2.87Å; D154-T182 PolarHBondContact OD2-OG1 3Å; D154-T185 PolarHBondContact OD2-N 3Å; D154-T185 VanDerWaalsContact OD2-N 3.15Å; D154-T185 PolarHBondContact OD2-OG1 3.33Å; D154-L188 HydrophobicContact CB-CD1 3.87Å
155	D	93.8	Very high	95.7	Very high	97 Å²	97	33.4 Å²	33.4	52%	0.519	19%	0.186	S	C	.	.	H	α-helix	trans	-62.8	-29.3	-179.3	-59.3	-43.7	0	0	0	113.6	T153 R159	T153-D155 PolarHBondContact O-N 3.15Å; D155-R159 VanDerWaalsContact O-CB 3.24Å; D155-R159 WeakPolarHBondContact O-CB 3.37Å; D155-R159 PolarHBondContact O-N 3.5Å
156	M	95.8	Very high	95.7	Very high	15 Å²	15	30.4 Å²	30.4	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-73.3	-40.2	177.6	-67.7	-61.8	85.6	0	0	110.8	T136 P138 C152 T153 D154 R159 E160	T136-M156 HydrophobicContact CG2-CB 4.35Å; T136-M156 HydrophobicContact CG2-CG 4.21Å; T136-M156 HydrophobicContact CG2-SD 4.37Å; P138-M156 HydrophobicContact CB-CE 4.29Å; P138-M156 HydrophobicContact CB-SD 4.47Å; P138-M156 HydrophobicContact CG-CE 3.76Å; P138-M156 HydrophobicContact CG-CG 4.42Å; P138-M156 HydrophobicContact CG-SD 4.1Å; C152-M156 HydrophobicContact CB-CB 4.19Å; T153-M156 PolarHBondContact O-N 2.93Å; T153-M156 WeakPolarHBondContact OG1-CG 3.2Å; D154-M156 VanDerWaalsContact C-N 3.26Å; D154-M156 PolarHBondContact O-N 3.01Å; M156-R159 VanDerWaalsContact CE-CZ 3.49Å; M156-R159 PolarHBondContact O-N 3.14Å; M156-E160 PolarHBondContact O-N 2.95Å
157	L	97.6	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.9	-42	174.8	-169.3	62.3	0	0	0	111.1	V105 T107 T153 D154 R159 E160 M161 L167 Y170 I173 L188	V105-L157 HydrophobicContact CG1-CD1 4.19Å; V105-L157 HydrophobicContact CG1-CD2 4.32Å; V105-L157 HydrophobicContact CG2-CD1 4.35Å; T107-L157 HydrophobicContact CG2-CB 4.03Å; T107-L157 HydrophobicContact CG2-CD2 3.41Å; T107-L157 VanDerWaalsContact CG2-CD2 3.41Å; T107-L157 HydrophobicContact CG2-CG 4.35Å; T153-L157 PolarHBondContact O-N 3Å; D154-L157 PolarHBondContact O-N 2.79Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.49Å; L157-E160 WeakPolarHBondContact O-CB 3.45Å; L157-E160 PolarHBondContact O-N 2.81Å; L157-E160 VanDerWaalsContact O-N 3.14Å; L157-M161 WeakPolarHBondContact O-CG 3.38Å; L157-M161 PolarHBondContact O-N 3.37Å; L157-L167 HydrophobicContact CD1-CD1 3.99Å; L157-L167 HydrophobicContact CD1-CD2 3.75Å; L157-L167 HydrophobicContact CD2-CD1 4.26Å; L157-L167 HydrophobicContact CG-CD1 4.09Å; L157-L167 HydrophobicContact CG-CD2 4.44Å; L157-Y170 HydrophobicContact CD1-CD2 4.49Å; L157-Y170 HydrophobicContact CD1-CE2 4.08Å; L157-I173 HydrophobicContact CD2-CG2 4Å; L157-L188 HydrophobicContact CB-CD1 4.45Å; L157-L188 HydrophobicContact CB-CD2 4.28Å; L157-L188 HydrophobicContact CD2-CD1 4.33Å; L157-L188 HydrophobicContact CD2-CD2 3.93Å; L157-L188 HydrophobicContact CG-CD2 4.07Å
158	L	96.1	Very high	95.8	Very high	14 Å²	14	32.3 Å²	32.3	7%	0.073	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-40.9	174.2	-73.2	172.7	0	0	0	112.3	D154 E160 M161 I187 L188 L191 Y417	D154-L158 WeakPolarHBondContact O-CG 3.45Å; D154-L158 PolarHBondContact O-N 2.87Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-E160 PolarHBondContact O-N 3.36Å; L158-M161 HydrophobicContact CD2-SD 4.25Å; L158-M161 WeakPolarHBondContact O-CB 3.25Å; L158-M161 PolarHBondContact O-N 3.44Å; L158-I187 HydrophobicContact CD1-CB 4.44Å; L158-I187 HydrophobicContact CD1-CG2 4.43Å; L158-I187 HydrophobicContact CD2-CB 4.37Å; L158-I187 HydrophobicContact CD2-CG2 3.74Å; L158-L188 HydrophobicContact CD1-CG 4.38Å; L158-L188 HydrophobicContact CD2-CD2 3.48Å; L158-L188 VanDerWaalsContact CD2-CD2 3.48Å; L158-L188 HydrophobicContact CD2-CG 3.66Å; L158-L188 HydrophobicContact CG-CD1 4.41Å; L158-L188 HydrophobicContact CG-CD2 3.77Å; L158-L188 HydrophobicContact CG-CG 3.75Å; L158-L191 HydrophobicContact CD2-CD1 4.34Å; L158-Y417 HydrophobicContact CB-CE2 4.32Å; L158-Y417 HydrophobicContact CD2-CE1 3.81Å; L158-Y417 VanDerWaalsContact CD2-OH 3.32Å; L158-Y417 WeakPolarHBondContact CD2-OH 3.27Å; L158-Y417 WeakPolarHBondContact O-CE2 3.11Å; L158-Y417 PolarHBondContact O-OH 3.06Å
159	R	93.1	Very high	95.7	Very high	100 Å²	100	36.2 Å²	36.2	38%	0.377	18%	0.181	S	C	.	.	H	α-helix	trans	-63.3	-39.3	174.9	-175.6	-178	-64.9	-172.3	-5.7	111.8	D155 M156 L157 M161 M162 P470 E573	D155-R159 VanDerWaalsContact O-CB 3.24Å; D155-R159 WeakPolarHBondContact O-CB 3.37Å; D155-R159 PolarHBondContact O-N 3.5Å; M156-R159 VanDerWaalsContact CE-CZ 3.49Å; M156-R159 PolarHBondContact O-N 3.14Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.49Å; R159-M161 VanDerWaalsContact C-N 3.3Å; R159-M161 PolarHBondContact O-N 2.89Å; R159-M162 WeakPolarHBondContact O-CB 3.31Å; R159-M162 WeakPolarHBondContact O-CG 3.44Å; R159-M162 PolarHBondContact O-N 3.47Å; R159-M162 VanDerWaalsContact O-N 3.11Å; R159-P470 VanDerWaalsContact NH2-CB 3.32Å; R159-E573 IonicContact CZ-OE1 3.41Å; R159-E573 IonicContact NH1-OE1 3.21Å; R159-E573 PolarHBondContact NH1-OE1 3.48Å
160	E	94.8	Very high	95.7	Very high	39 Å²	39	36.4 Å²	36.4	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-62.3	-38.8	175.6	-163.6	168.6	150.3	0	0	111.7	R150 M156 L157 L158 M162 S163 D164 L167 Y170	R150-E160 IonicContact CZ-OE2 3.87Å; R150-E160 IonicContact NH1-OE2 3.43Å; R150-E160 PolarHBondContact NH1-OE2 3.44Å; R150-E160 IonicContact NH2-OE1 2.73Å; R150-E160 IonicContact NH2-OE2 3.58Å; R150-E160 PolarHBondContact NH2-OE2 2.9Å; M156-E160 PolarHBondContact O-N 2.95Å; L157-E160 WeakPolarHBondContact O-CB 3.45Å; L157-E160 PolarHBondContact O-N 2.81Å; L157-E160 VanDerWaalsContact O-N 3.14Å; L158-E160 VanDerWaalsContact C-N 3.32Å; L158-E160 PolarHBondContact O-N 3.36Å; E160-M162 PolarHBondContact O-N 3.36Å; E160-M162 VanDerWaalsContact O-N 3.07Å; E160-S163 PolarHBondContact O-N 3.3Å; E160-D164 PolarHBondContact O-N 2.72Å; E160-L167 HydrophobicContact CB-CD2 4.39Å; E160-L167 HydrophobicContact CG-CD2 4.37Å; E160-Y170 WeakPolarHBondContact OE1-CE2 3.28Å; E160-Y170 VanDerWaalsContact OE1-CZ 3.25Å; E160-Y170 PolarHBondContact OE1-OH 3.4Å; E160-Y170 PolarHBondContact OE2-OH 3.04Å
161	M	95.1	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-19.9	173.8	-63.7	-179	73.4	0	0	114.1	L157 L158 R159 S163 D164 P165 L167 L188 L191 V195 Y417 M421 L426	L157-M161 WeakPolarHBondContact O-CG 3.38Å; L157-M161 PolarHBondContact O-N 3.37Å; L158-M161 HydrophobicContact CD2-SD 4.25Å; L158-M161 WeakPolarHBondContact O-CB 3.25Å; L158-M161 PolarHBondContact O-N 3.44Å; R159-M161 VanDerWaalsContact C-N 3.3Å; R159-M161 PolarHBondContact O-N 2.89Å; M161-S163 VanDerWaalsContact C-N 3.28Å; M161-S163 PolarHBondContact O-N 2.84Å; M161-D164 WeakPolarHBondContact CA-O 3.26Å; M161-D164 CarbonylContact O-C 3.58Å; M161-P165 VanDerWaalsContact O-CA 3.24Å; M161-P165 WeakPolarHBondContact O-CA 3.34Å; M161-L167 HydrophobicContact CG-CD1 3.77Å; M161-L167 HydrophobicContact CG-CD2 3.56Å; M161-L167 HydrophobicContact CG-CG 3.67Å; M161-L167 HydrophobicContact SD-CD1 4Å; M161-L167 HydrophobicContact SD-CG 4.47Å; M161-L188 HydrophobicContact SD-CD2 3.88Å; M161-L191 HydrophobicContact CE-CB 3.93Å; M161-L191 HydrophobicContact CE-CD1 4.05Å; M161-L191 HydrophobicContact SD-CD1 4.41Å; M161-V195 HydrophobicContact CE-CG2 4.19Å; M161-Y417 WeakPolarHBondContact CB-OH 3.46Å; M161-M421 HydrophobicContact CB-SD 4.1Å; M161-M421 WeakPolarHBondContact O-CE 3.32Å; M161-L426 HydrophobicContact CE-CD1 3.81Å
162	M	89.9	Confident	95.7	Very high	21 Å²	21	35.3 Å²	35.3	10%	0.103	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-35	173.6	-63.8	-77	-71.2	0	0	112.7	R159 E160 Y417 R420 M421 S467	R159-M162 WeakPolarHBondContact O-CB 3.31Å; R159-M162 WeakPolarHBondContact O-CG 3.44Å; R159-M162 PolarHBondContact O-N 3.47Å; R159-M162 VanDerWaalsContact O-N 3.11Å; E160-M162 PolarHBondContact O-N 3.36Å; E160-M162 VanDerWaalsContact O-N 3.07Å; M162-Y417 HydrophobicContact CG-CD2 4.12Å; M162-Y417 HydrophobicContact CG-CE2 3.75Å; M162-Y417 HydrophobicContact SD-CD2 3.37Å; M162-Y417 WeakPolarHBondContact SD-CD2 3.4Å; M162-Y417 HydrophobicContact SD-CE2 3.45Å; M162-Y417 WeakPolarHBondContact SD-CE2 3.38Å; M162-R420 HydrophobicContact CE-CB 4.27Å; M162-R420 HydrophobicContact CE-CG 3.48Å; M162-R420 VanDerWaalsContact CE-CG 3.48Å; M162-R420 HydrophobicContact SD-CB 4.31Å; M162-R420 HydrophobicContact SD-CG 3.73Å; M162-M421 HydrophobicContact CB-CE 4.35Å; M162-M421 HydrophobicContact CG-CE 4.18Å; M162-M421 HydrophobicContact SD-CE 3.45Å; M162-M421 WeakPolarHBondContact SD-CE 3.41Å; M162-S467 WeakPolarHBondContact CE-O 3.44Å
163	S	90.3	Very high	95.7	Very high	97 Å²	97	35.3 Å²	35.3	68%	0.678	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-30.7	179.4	-60.3	0	0	0	0	112.4	E160 M161	E160-S163 PolarHBondContact O-N 3.3Å; M161-S163 VanDerWaalsContact C-N 3.28Å; M161-S163 PolarHBondContact O-N 2.84Å
164	D	94.9	Very high	95.8	Very high	35 Å²	35	35.1 Å²	35.1	19%	0.187	18%	0.177	C	C	.	.			trans	-128.9	80.1	178	-179.8	6.9	0	0	0	110.7	E160 M161 F166 L167 E168	E160-D164 PolarHBondContact O-N 2.72Å; M161-D164 WeakPolarHBondContact CA-O 3.26Å; M161-D164 CarbonylContact O-C 3.58Å; D164-F166 PolarHBondContact O-N 3.37Å; D164-F166 VanDerWaalsContact O-N 3.09Å; D164-L167 PolarHBondContact O-N 2.78Å; D164-L167 PolarHBondContact OD1-N 3.21Å; D164-L167 VanDerWaalsContact OD2-C 3.3Å; D164-L167 WeakPolarHBondContact OD2-CA 3.23Å; D164-E168 PolarHBondContact OD1-N 2.94Å; D164-E168 PolarHBondContact OD2-N 3.41Å
165	P	94.9	Very high	95.9	Very high	21 Å²	21	34.9 Å²	34.9	14%	0.136	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.9	-173.3	-24.1	33.4	0	0	0	114.8	M161 A424 L426	M161-P165 VanDerWaalsContact O-CA 3.24Å; M161-P165 WeakPolarHBondContact O-CA 3.34Å; P165-A424 HydrophobicContact CB-CB 4.25Å; P165-A424 HydrophobicContact CG-CB 3.62Å; P165-L426 HydrophobicContact CB-CD1 3.8Å; P165-L426 HydrophobicContact CB-CG 3.98Å
166	F	95.9	Very high	96	Very high	54 Å²	54	30.4 Å²	30.4	24%	0.237	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	2.4	180	-59.3	-68.7	0	0	0	113.1	D164 E168 Q198 R199 L426	D164-F166 PolarHBondContact O-N 3.37Å; D164-F166 VanDerWaalsContact O-N 3.09Å; F166-E168 VanDerWaalsContact C-N 3.26Å; F166-E168 HydrophobicContact CB-CG 4.3Å; F166-E168 PolarHBondContact O-N 3.06Å; F166-Q198 HydrophobicContact CD1-CB 4.11Å; F166-Q198 HydrophobicContact CD1-CG 4.39Å; F166-Q198 HydrophobicContact CE1-CB 3.96Å; F166-Q198 HydrophobicContact CE1-CG 3.76Å; F166-R199 HydrophobicContact CB-CG 4.49Å; F166-R199 WeakPolarHBondContact O-CD 3.38Å; F166-R199 PolarHBondContact O-NH1 3.48Å; F166-L426 HydrophobicContact CD1-CD2 4.41Å; F166-L426 HydrophobicContact CE1-CD2 4.11Å
167	L	97	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.			trans	53.8	42.9	175.4	-67.5	176.6	0	0	0	112.1	L157 E160 M161 D164 Q169 Y170 I173 L192 R199	L157-L167 HydrophobicContact CD1-CD1 3.99Å; L157-L167 HydrophobicContact CD1-CD2 3.75Å; L157-L167 HydrophobicContact CD2-CD1 4.26Å; L157-L167 HydrophobicContact CG-CD1 4.09Å; L157-L167 HydrophobicContact CG-CD2 4.44Å; E160-L167 HydrophobicContact CB-CD2 4.39Å; E160-L167 HydrophobicContact CG-CD2 4.37Å; M161-L167 HydrophobicContact CG-CD1 3.77Å; M161-L167 HydrophobicContact CG-CD2 3.56Å; M161-L167 HydrophobicContact CG-CG 3.67Å; M161-L167 HydrophobicContact SD-CD1 4Å; M161-L167 HydrophobicContact SD-CG 4.47Å; D164-L167 PolarHBondContact O-N 2.78Å; D164-L167 PolarHBondContact OD1-N 3.21Å; D164-L167 VanDerWaalsContact OD2-C 3.3Å; D164-L167 WeakPolarHBondContact OD2-CA 3.23Å; L167-Q169 PolarHBondContact O-N 3.09Å; L167-Y170 HydrophobicContact CB-CD2 4.12Å; L167-Y170 HydrophobicContact CD2-CD2 4.48Å; L167-Y170 HydrophobicContact CD2-CE2 4.39Å; L167-Y170 PolarHBondContact O-N 3.15Å; L167-I173 HydrophobicContact CB-CD1 4.11Å; L167-I173 HydrophobicContact CD1-CD1 3.55Å; L167-I173 HydrophobicContact CG-CD1 4.49Å; L167-L192 HydrophobicContact CD1-CD2 4.4Å; L167-R199 PolarHBondContact O-NH1 3.09Å
168	E	96.3	Very high	95.7	Very high	134 Å²	134	30 Å²	30	63%	0.626	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-26.8	-172.4	-67.8	-172.9	167.5	0	0	113.5	D164 F166 Y170 R199	D164-E168 PolarHBondContact OD1-N 2.94Å; D164-E168 PolarHBondContact OD2-N 3.41Å; F166-E168 VanDerWaalsContact C-N 3.26Å; F166-E168 HydrophobicContact CB-CG 4.3Å; F166-E168 PolarHBondContact O-N 3.06Å; E168-Y170 PolarHBondContact O-N 3.11Å; E168-R199 VanDerWaalsContact CA-NH1 3.33Å
169	Q	96.2	Very high	95.5	Very high	99 Å²	99	30.1 Å²	30.1	46%	0.463	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.6	175.9	-176.6	170.7	-8.4	0	0	113.9	G102 L103 L167	G102-Q169 WeakPolarHBondContact CA-O 3.37Å; L103-Q169 HydrophobicContact CD1-CG 4.19Å; L103-Q169 PolarHBondContact N-O 3.08Å; L167-Q169 PolarHBondContact O-N 3.09Å
170	Y	98.3	Very high	95.4	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138.3	-174.6	-51.9	-69.2	0	0	0	112.8	H101 L103 V105 R150 L157 E160 L167 E168 I173 R199	H101-Y170 CarbonylContact O-C 3.57Å; L103-Y170 HydrophobicContact CB-CD1 4.24Å; L103-Y170 WeakPolarHBondContact O-CA 3.34Å; V105-Y170 HydrophobicContact CB-CD1 3.65Å; V105-Y170 HydrophobicContact CB-CE1 3.66Å; V105-Y170 HydrophobicContact CB-CG 4.13Å; V105-Y170 HydrophobicContact CG1-CD1 3.67Å; V105-Y170 HydrophobicContact CG1-CD2 3.86Å; V105-Y170 HydrophobicContact CG1-CE1 4.06Å; V105-Y170 HydrophobicContact CG1-CE2 4.22Å; V105-Y170 HydrophobicContact CG1-CG 3.6Å; V105-Y170 HydrophobicContact CG2-CE1 4.49Å; R150-Y170 PolarHBondContact NE-OH 3.42Å; R150-Y170 VanDerWaalsContact NH2-CZ 3.27Å; R150-Y170 PolarHBondContact NH2-OH 2.96Å; L157-Y170 HydrophobicContact CD1-CD2 4.49Å; L157-Y170 HydrophobicContact CD1-CE2 4.08Å; E160-Y170 WeakPolarHBondContact OE1-CE2 3.28Å; E160-Y170 VanDerWaalsContact OE1-CZ 3.25Å; E160-Y170 PolarHBondContact OE1-OH 3.4Å; E160-Y170 PolarHBondContact OE2-OH 3.04Å; L167-Y170 HydrophobicContact CB-CD2 4.12Å; L167-Y170 HydrophobicContact CD2-CD2 4.48Å; L167-Y170 HydrophobicContact CD2-CE2 4.39Å; L167-Y170 PolarHBondContact O-N 3.15Å; E168-Y170 PolarHBondContact O-N 3.11Å; Y170-I173 HydrophobicContact CG-CG1 4.49Å; Y170-R199 PolarHBondContact O-NH1 3.42Å; Y170-R199 PolarHBondContact O-NH2 3.42Å
171	G	98.3	Very high	95.3	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-26	168.2	0	0	0	0	0	112.6	H101 L103 K203	H101-G171 WeakPolarHBondContact O-CA 3.32Å; H101-G171 PolarHBondContact O-N 3.38Å; H101-G171 VanDerWaalsContact O-N 3.16Å; L103-G171 PolarHBondContact O-N 2.93Å; G171-K203 PolarHBondContact O-N 3.43Å
172	V	98.8	Very high	95.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	127	173.7	-172.3	0	0	0	0	110	C90 F93 C94 L103 V104 V105 I174 K203 V205	C90-V172 HydrophobicContact CB-CB 4.3Å; C90-V172 HydrophobicContact CB-CG1 3.89Å; C90-V172 HydrophobicContact CB-CG2 4.4Å; F93-V172 HydrophobicContact CD1-CG2 4.05Å; F93-V172 HydrophobicContact CE1-CG2 4.38Å; C94-V172 VanDerWaalsContact SG-CG2 3.56Å; L103-V172 PolarHBondContact O-N 3.46Å; V104-V172 WeakPolarHBondContact CA-O 3.44Å; V104-V172 HydrophobicContact CG1-CB 4.35Å; V104-V172 HydrophobicContact CG2-CB 4.24Å; V105-V172 PolarHBondContact N-O 3.02Å; V105-V172 VanDerWaalsContact N-O 3.09Å; V172-I174 HydrophobicContact CG1-CG1 4.16Å; V172-K203 CarbonylContact C-O 3.57Å; V172-K203 VanDerWaalsContact CA-O 3.32Å; V172-K203 WeakPolarHBondContact CA-O 3.37Å; V172-K203 HydrophobicContact CB-CB 4.46Å; V172-K203 HydrophobicContact CG1-CB 4.27Å; V172-K203 HydrophobicContact CG2-CB 4.06Å; V172-K203 HydrophobicContact CG2-CG 4.44Å; V172-V205 HydrophobicContact CG1-CG2 4.3Å
173	I	98.9	Very high	95.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.3	172.6	-62.6	169.3	0	0	0	108.6	V105 L157 L167 Y170 I175 L192 L202 K203 V204 V205	V105-I173 HydrophobicContact CG1-CB 4.18Å; V105-I173 HydrophobicContact CG1-CG1 3.73Å; V105-I173 HydrophobicContact CG1-CG2 4.15Å; L157-I173 HydrophobicContact CD2-CG2 4Å; L167-I173 HydrophobicContact CB-CD1 4.11Å; L167-I173 HydrophobicContact CD1-CD1 3.55Å; L167-I173 HydrophobicContact CG-CD1 4.49Å; Y170-I173 HydrophobicContact CG-CG1 4.49Å; I173-I175 HydrophobicContact CG2-CD1 3.93Å; I173-L192 HydrophobicContact CD1-CD2 3.74Å; I173-L192 HydrophobicContact CG2-CD1 4.15Å; I173-L202 HydrophobicContact CD1-CD1 3.95Å; I173-L202 HydrophobicContact CD1-CD2 4.13Å; I173-L202 HydrophobicContact CG1-CD1 4.08Å; I173-K203 PolarHBondContact N-O 3.38Å; I173-V204 HydrophobicContact CB-CG2 4.34Å; I173-V204 CarbonylContact O-C 3.58Å; I173-V204 VanDerWaalsContact O-CA 3.25Å; I173-V204 WeakPolarHBondContact O-CA 3.43Å; I173-V205 PolarHBondContact O-N 2.78Å
174	I	98.9	Very high	95.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.4	178.8	-50.8	172.5	0	0	0	107.5	P87 C90 V104 V105 C106 T107 V172 V205 L207	P87-I174 VanDerWaalsContact CA-CD1 3.46Å; P87-I174 HydrophobicContact CB-CD1 3.73Å; P87-I174 HydrophobicContact CG-CD1 3.72Å; C90-I174 HydrophobicContact CB-CD1 4.05Å; V104-I174 HydrophobicContact CG1-CD1 3.88Å; V104-I174 HydrophobicContact CG1-CG1 4.4Å; V105-I174 PolarHBondContact O-N 3.22Å; C106-I174 CarbonylContact C-O 3.44Å; C106-I174 WeakPolarHBondContact CA-O 3.43Å; C106-I174 HydrophobicContact CB-CB 4.11Å; C106-I174 HydrophobicContact CB-CD1 4.43Å; T107-I174 PolarHBondContact N-O 3.33Å; V172-I174 HydrophobicContact CG1-CG1 4.16Å; I174-V205 CarbonylContact C-O 3.59Å; I174-V205 VanDerWaalsContact CA-O 3.3Å; I174-V205 WeakPolarHBondContact CA-O 3.32Å; I174-V205 HydrophobicContact CG1-CB 4.22Å; I174-V205 HydrophobicContact CG2-CB 4.33Å; I174-L207 HydrophobicContact CG2-CD1 3.8Å; I174-L207 HydrophobicContact CG2-CG 3.91Å
175	I	98.4	Very high	95.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	100.1	170.8	-53.6	-57.3	0	0	0	106.9	T107 I173 A178 T185 L188 L189 L192 V205 L207	T107-I175 HydrophobicContact CG2-CD1 3.96Å; I173-I175 HydrophobicContact CG2-CD1 3.93Å; I175-A178 HydrophobicContact CG2-CB 4.46Å; I175-T185 HydrophobicContact CG2-CG2 4.1Å; I175-L188 HydrophobicContact CD1-CB 4.21Å; I175-L188 HydrophobicContact CD1-CD1 4.07Å; I175-L189 HydrophobicContact CB-CD2 4.23Å; I175-L189 HydrophobicContact CG1-CD2 4.09Å; I175-L189 HydrophobicContact CG2-CD2 4.1Å; I175-L189 HydrophobicContact CG2-CG 4.27Å; I175-L192 HydrophobicContact CD1-CD1 3.93Å; I175-L192 HydrophobicContact CG1-CD1 3.93Å; I175-V205 PolarHBondContact N-O 2.85Å; I175-L207 PolarHBondContact O-N 3.5Å
176	D	96.2	Very high	96	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.021	9%	0.094	C	C	.	.			trans	-83.4	159.3	177.2	-155.2	-6.2	0	0	0	111.3	S83 T107 Q108 A178 L207	S83-D176 WeakPolarHBondContact CB-OD2 3.42Å; S83-D176 PolarHBondContact OG-OD1 3.26Å; S83-D176 PolarHBondContact OG-OD2 2.86Å; T107-D176 WeakPolarHBondContact O-CB 3.44Å; T107-D176 PolarHBondContact O-N 3.27Å; Q108-D176 PolarHBondContact NE2-OD2 3.47Å; D176-A178 PolarHBondContact O-N 3.03Å; D176-A178 VanDerWaalsContact O-N 3.12Å; D176-L207 HydrophobicContact CB-CD1 4.36Å; D176-L207 WeakPolarHBondContact OD1-CB 3.41Å
177	Q	91.9	Very high	96.1	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.023	8%	0.083	C	C	.	.			trans	51.9	37.6	175.1	-57.5	174.5	-57.8	0	0	114.5	Q113 H179 E180 L207 D334	Q113-Q177 VanDerWaalsContact OE1-CD 3.29Å; Q113-Q177 VanDerWaalsContact OE1-OE1 3.05Å; Q177-H179 PolarHBondContact O-N 3.36Å; Q177-E180 HydrophobicContact CB-CG 4.21Å; Q177-E180 PolarHBondContact NE2-OE1 3.29Å; Q177-E180 WeakPolarHBondContact O-CB 3.4Å; Q177-E180 PolarHBondContact O-N 3.3Å; Q177-E180 PolarHBondContact OE1-OE1 3.5Å; Q177-L207 PolarHBondContact N-O 2.87Å; Q177-D334 PolarHBondContact NE2-OD1 2.89Å
178	A	94.8	Very high	96.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-9.2	-178.7	0	0	0	0	0	114	I175 D176 R181 T185 L189 I206 L207	I175-A178 HydrophobicContact CG2-CB 4.46Å; D176-A178 PolarHBondContact O-N 3.03Å; D176-A178 VanDerWaalsContact O-N 3.12Å; A178-R181 VanDerWaalsContact O-CD 3.25Å; A178-R181 WeakPolarHBondContact O-CD 3.32Å; A178-T185 HydrophobicContact CB-CG2 4.31Å; A178-L189 HydrophobicContact CB-CD1 4.27Å; A178-I206 HydrophobicContact CB-CG2 3.64Å; A178-L207 PolarHBondContact N-O 3.49Å
179	H	92.8	Very high	96.1	Very high	18 Å²	18	10.4 Å²	10.4	8%	0.083	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.9	173.7	66	-78.3	0	0	0	114.5	Q177 R181 T208 M209 V212 T402	Q177-H179 PolarHBondContact O-N 3.36Å; H179-R181 VanDerWaalsContact C-N 3.26Å; H179-R181 PolarHBondContact O-N 2.8Å; H179-T208 PolarHBondContact N-OG1 3.36Å; H179-M209 HydrophobicContact CB-CB 4.05Å; H179-M209 HydrophobicContact CB-CG 4.23Å; H179-V212 HydrophobicContact CB-CG2 3.83Å; H179-T402 WeakPolarHBondContact O-CB 3.26Å; H179-T402 PolarHBondContact O-OG1 3.24Å
180	E	90.9	Very high	96.1	Very high	40 Å²	40	5.7 Å²	5.7	19%	0.187	3%	0.031	C	C	.	.	S	Bend	trans	-71.6	-22.8	173.7	-75.2	-167.6	-138.7	0	0	112.7	A109 Q177 T182	A109-E180 HydrophobicContact CB-CB 4.47Å; A109-E180 VanDerWaalsContact CB-CD 3.44Å; A109-E180 WeakPolarHBondContact CB-OE2 3.33Å; Q177-E180 HydrophobicContact CB-CG 4.21Å; Q177-E180 PolarHBondContact NE2-OE1 3.29Å; Q177-E180 WeakPolarHBondContact O-CB 3.4Å; Q177-E180 PolarHBondContact O-N 3.3Å; Q177-E180 PolarHBondContact OE1-OE1 3.5Å; E180-T182 HydrophobicContact CB-CG2 4.08Å; E180-T182 PolarHBondContact O-N 3.05Å
181	R	93.8	Very high	96	Very high	1 Å²	1	5.5 Å²	5.5	0%	0.004	3%	0.03	C	C	.	.			trans	51.2	44.1	175.9	-59	-63	-56.4	-74	-6.5	112.4	A178 H179 D186 P404 Q405	A178-R181 VanDerWaalsContact O-CD 3.25Å; A178-R181 WeakPolarHBondContact O-CD 3.32Å; H179-R181 VanDerWaalsContact C-N 3.26Å; H179-R181 PolarHBondContact O-N 2.8Å; R181-D186 IonicContact CZ-OD1 2.69Å; R181-D186 IonicContact CZ-OD2 3.48Å; R181-D186 IonicContact NE-OD1 2.74Å; R181-D186 PolarHBondContact NE-OD1 3.12Å; R181-D186 IonicContact NE-OD2 3.31Å; R181-D186 PolarHBondContact NE-OD2 2.87Å; R181-D186 IonicContact NH2-OD1 3.1Å; R181-D186 IonicContact NH2-OD2 3.55Å; R181-D186 PolarHBondContact NH2-OD2 3.48Å; R181-P404 HydrophobicContact CB-CB 4.34Å; R181-Q405 WeakPolarHBondContact O-CB 3.42Å; R181-Q405 WeakPolarHBondContact O-CG 3.33Å; R181-Q405 PolarHBondContact O-N 3.2Å
182	T	94.6	Very high	96	Very high	15 Å²	15	5.4 Å²	5.4	9%	0.092	3%	0.029	C	C	.	.			trans	-63.8	159.8	171.4	77.9	0	0	0	0	110	A109 D154 E180 G184 T185 D186	A109-T182 HydrophobicContact CB-CG2 3.74Å; D154-T182 PolarHBondContact OD2-OG1 3Å; E180-T182 HydrophobicContact CB-CG2 4.08Å; E180-T182 PolarHBondContact O-N 3.05Å; T182-G184 VanDerWaalsContact C-N 3.29Å; T182-G184 PolarHBondContact O-N 2.89Å; T182-G184 PolarHBondContact OG1-N 3.45Å; T182-T185 VanDerWaalsContact OG1-CB 3.26Å; T182-T185 WeakPolarHBondContact OG1-CB 3.34Å; T182-T185 PolarHBondContact OG1-N 3.07Å; T182-T185 PolarHBondContact OG1-OG1 3.1Å; T182-D186 PolarHBondContact O-N 3.44Å
183	V	95.3	Very high	95.8	Very high	23 Å²	23	8.4 Å²	8.4	14%	0.139	4%	0.042	C	C	.	.	H	α-helix	trans	-59.1	-46.6	174.1	-175.5	0	0	0	0	109.7	D186 I187 Q405 C409 T414	V183-D186 PolarHBondContact O-N 2.97Å; V183-I187 HydrophobicContact CG1-CG1 4.26Å; V183-I187 WeakPolarHBondContact O-CG1 3.31Å; V183-I187 PolarHBondContact O-N 3.37Å; V183-Q405 HydrophobicContact CG2-CB 3.93Å; V183-C409 HydrophobicContact CG2-CB 4.15Å; V183-C409 WeakPolarHBondContact CG2-SG 3.46Å; V183-T414 HydrophobicContact CG1-CG2 4.09Å; V183-T414 WeakPolarHBondContact CG1-OG1 3.29Å
184	G	95.9	Very high	95.5	Very high	5 Å²	5	9.3 Å²	9.3	5%	0.052	5%	0.047	C	C	.	.	H	α-helix	trans	-59.8	-49.1	-179	0	0	0	0	0	112.8	T182 D186 I187 L188	T182-G184 VanDerWaalsContact C-N 3.29Å; T182-G184 PolarHBondContact O-N 2.89Å; T182-G184 PolarHBondContact OG1-N 3.45Å; G184-D186 PolarHBondContact O-N 2.78Å; G184-I187 PolarHBondContact O-N 2.91Å; G184-L188 WeakPolarHBondContact O-CB 3.28Å; G184-L188 WeakPolarHBondContact O-CG 3.4Å; G184-L188 PolarHBondContact O-N 2.93Å
185	T	96.5	Very high	95.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-55.9	-50.5	175.6	-69.9	0	0	0	0	111.6	D154 I175 A178 T182 I187 L188 L189	D154-T185 PolarHBondContact OD2-N 3Å; D154-T185 VanDerWaalsContact OD2-N 3.15Å; D154-T185 PolarHBondContact OD2-OG1 3.33Å; I175-T185 HydrophobicContact CG2-CG2 4.1Å; A178-T185 HydrophobicContact CB-CG2 4.31Å; T182-T185 VanDerWaalsContact OG1-CB 3.26Å; T182-T185 WeakPolarHBondContact OG1-CB 3.34Å; T182-T185 PolarHBondContact OG1-N 3.07Å; T182-T185 PolarHBondContact OG1-OG1 3.1Å; T185-I187 VanDerWaalsContact C-N 3.33Å; T185-I187 PolarHBondContact O-N 3.11Å; T185-L188 PolarHBondContact O-N 3.11Å; T185-L189 HydrophobicContact CG2-CD1 3.83Å; T185-L189 HydrophobicContact CG2-CG 4.49Å; T185-L189 VanDerWaalsContact O-CG 3.29Å; T185-L189 WeakPolarHBondContact O-CG 3.16Å; T185-L189 PolarHBondContact O-N 3.13Å
186	D	96.5	Very high	95.3	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-64.7	-37.7	-177.5	-87.4	19.2	0	0	0	111.9	R181 T182 V183 G184 G190	R181-D186 IonicContact CZ-OD1 2.69Å; R181-D186 IonicContact CZ-OD2 3.48Å; R181-D186 IonicContact NE-OD1 2.74Å; R181-D186 PolarHBondContact NE-OD1 3.12Å; R181-D186 IonicContact NE-OD2 3.31Å; R181-D186 PolarHBondContact NE-OD2 2.87Å; R181-D186 IonicContact NH2-OD1 3.1Å; R181-D186 IonicContact NH2-OD2 3.55Å; R181-D186 PolarHBondContact NH2-OD2 3.48Å; T182-D186 PolarHBondContact O-N 3.44Å; V183-D186 PolarHBondContact O-N 2.97Å; G184-D186 PolarHBondContact O-N 2.78Å; D186-G190 PolarHBondContact O-N 3.31Å
187	I	97.2	Very high	95.2	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-68.9	-44.3	175.7	-64	-58.6	0	0	0	111.4	L158 V183 G184 T185 L189 G190 L191 I406 T414 Y417 L418 F431	L158-I187 HydrophobicContact CD1-CB 4.44Å; L158-I187 HydrophobicContact CD1-CG2 4.43Å; L158-I187 HydrophobicContact CD2-CB 4.37Å; L158-I187 HydrophobicContact CD2-CG2 3.74Å; V183-I187 HydrophobicContact CG1-CG1 4.26Å; V183-I187 WeakPolarHBondContact O-CG1 3.31Å; V183-I187 PolarHBondContact O-N 3.37Å; G184-I187 PolarHBondContact O-N 2.91Å; T185-I187 VanDerWaalsContact C-N 3.33Å; T185-I187 PolarHBondContact O-N 3.11Å; I187-L189 PolarHBondContact O-N 3.46Å; I187-G190 PolarHBondContact O-N 3.15Å; I187-L191 HydrophobicContact CG2-CD1 3.76Å; I187-L191 HydrophobicContact CG2-CG 4.17Å; I187-L191 WeakPolarHBondContact O-CB 3.37Å; I187-L191 WeakPolarHBondContact O-CG 3.41Å; I187-L191 PolarHBondContact O-N 2.87Å; I187-I406 HydrophobicContact CD1-CD1 4.12Å; I187-T414 HydrophobicContact CD1-CG2 3.64Å; I187-T414 HydrophobicContact CG1-CG2 3.7Å; I187-Y417 HydrophobicContact CG2-CD1 4.32Å; I187-Y417 HydrophobicContact CG2-CE1 3.92Å; I187-L418 HydrophobicContact CD1-CD1 4.03Å; I187-L418 HydrophobicContact CD1-CD2 4.36Å; I187-L418 HydrophobicContact CD1-CG 4.49Å; I187-L418 HydrophobicContact CG2-CD2 4.01Å; I187-F431 HydrophobicContact CD1-CD1 4.2Å; I187-F431 HydrophobicContact CD1-CE1 3.52Å; I187-F431 HydrophobicContact CD1-CZ 4.39Å
188	L	97.3	Very high	95.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.2	-50	175.3	-80	171.9	0	0	0	110.9	T107 D154 L157 L158 M161 I175 G184 T185 G190 L191 L192	T107-L188 HydrophobicContact CG2-CD1 4.03Å; D154-L188 HydrophobicContact CB-CD1 3.87Å; L157-L188 HydrophobicContact CB-CD1 4.45Å; L157-L188 HydrophobicContact CB-CD2 4.28Å; L157-L188 HydrophobicContact CD2-CD1 4.33Å; L157-L188 HydrophobicContact CD2-CD2 3.93Å; L157-L188 HydrophobicContact CG-CD2 4.07Å; L158-L188 HydrophobicContact CD1-CG 4.38Å; L158-L188 HydrophobicContact CD2-CD2 3.48Å; L158-L188 VanDerWaalsContact CD2-CD2 3.48Å; L158-L188 HydrophobicContact CD2-CG 3.66Å; L158-L188 HydrophobicContact CG-CD1 4.41Å; L158-L188 HydrophobicContact CG-CD2 3.77Å; L158-L188 HydrophobicContact CG-CG 3.75Å; M161-L188 HydrophobicContact SD-CD2 3.88Å; I175-L188 HydrophobicContact CD1-CB 4.21Å; I175-L188 HydrophobicContact CD1-CD1 4.07Å; G184-L188 WeakPolarHBondContact O-CB 3.28Å; G184-L188 WeakPolarHBondContact O-CG 3.4Å; G184-L188 PolarHBondContact O-N 2.93Å; T185-L188 PolarHBondContact O-N 3.11Å; L188-G190 VanDerWaalsContact C-N 3.29Å; L188-G190 PolarHBondContact O-N 3.04Å; L188-L191 PolarHBondContact O-N 3.28Å; L188-L192 VanDerWaalsContact O-CB 3.26Å; L188-L192 WeakPolarHBondContact O-CB 3.28Å; L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 3.03Å
189	L	96.9	Very high	95.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.1	-42.1	177.4	-68.5	170	0	0	0	111.2	I175 A178 T185 I187 I206 L216 Y220 I432	I175-L189 HydrophobicContact CB-CD2 4.23Å; I175-L189 HydrophobicContact CG1-CD2 4.09Å; I175-L189 HydrophobicContact CG2-CD2 4.1Å; I175-L189 HydrophobicContact CG2-CG 4.27Å; A178-L189 HydrophobicContact CB-CD1 4.27Å; T185-L189 HydrophobicContact CG2-CD1 3.83Å; T185-L189 HydrophobicContact CG2-CG 4.49Å; T185-L189 VanDerWaalsContact O-CG 3.29Å; T185-L189 WeakPolarHBondContact O-CG 3.16Å; T185-L189 PolarHBondContact O-N 3.13Å; I187-L189 PolarHBondContact O-N 3.46Å; L189-I206 HydrophobicContact CD2-CD1 3.58Å; L189-I206 HydrophobicContact CD2-CG1 3.89Å; L189-L216 HydrophobicContact CD1-CD2 4.1Å; L189-Y220 WeakPolarHBondContact CA-OH 3.48Å; L189-Y220 HydrophobicContact CD2-CE2 4.27Å; L189-Y220 PolarHBondContact O-OH 2.8Å; L189-I432 HydrophobicContact CB-CD1 3.87Å; L189-I432 HydrophobicContact CD1-CD1 3.51Å; L189-I432 HydrophobicContact CG-CD1 4.33Å
190	G	95.9	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.2	-34.9	179.4	0	0	0	0	0	115	D186 I187 L188 H430	D186-G190 PolarHBondContact O-N 3.31Å; I187-G190 PolarHBondContact O-N 3.15Å; L188-G190 VanDerWaalsContact C-N 3.29Å; L188-G190 PolarHBondContact O-N 3.04Å; G190-H430 WeakPolarHBondContact CA-O 3.43Å; G190-H430 PolarHBondContact O-N 3.42Å
191	L	96.8	Very high	95.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-79.9	-38.1	177.6	-68.8	178.2	0	0	0	112.4	L158 M161 I187 L188 K193 N194 V195 Y417 L418 M421 C429	L158-L191 HydrophobicContact CD2-CD1 4.34Å; M161-L191 HydrophobicContact CE-CB 3.93Å; M161-L191 HydrophobicContact CE-CD1 4.05Å; M161-L191 HydrophobicContact SD-CD1 4.41Å; I187-L191 HydrophobicContact CG2-CD1 3.76Å; I187-L191 HydrophobicContact CG2-CG 4.17Å; I187-L191 WeakPolarHBondContact O-CB 3.37Å; I187-L191 WeakPolarHBondContact O-CG 3.41Å; I187-L191 PolarHBondContact O-N 2.87Å; L188-L191 PolarHBondContact O-N 3.28Å; L191-K193 PolarHBondContact O-N 3.17Å; L191-K193 VanDerWaalsContact O-N 3.15Å; L191-N194 WeakPolarHBondContact O-CA 3.36Å; L191-N194 WeakPolarHBondContact O-CB 3.17Å; L191-N194 PolarHBondContact O-N 2.82Å; L191-V195 PolarHBondContact O-N 3.36Å; L191-Y417 HydrophobicContact CD1-CE1 3.72Å; L191-L418 HydrophobicContact CD1-CD2 4.3Å; L191-L418 HydrophobicContact CD2-CD2 4.11Å; L191-L418 HydrophobicContact CG-CD2 4.41Å; L191-M421 HydrophobicContact CD1-CG 4.17Å; L191-C429 HydrophobicContact CD2-CB 3.96Å
192	L	96.9	Very high	96	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-29.2	178.4	-77.9	172.1	0	0	0	112	L167 I173 I175 L188 N194 V195 L196 V204	L167-L192 HydrophobicContact CD1-CD2 4.4Å; I173-L192 HydrophobicContact CD1-CD2 3.74Å; I173-L192 HydrophobicContact CG2-CD1 4.15Å; I175-L192 HydrophobicContact CD1-CD1 3.93Å; I175-L192 HydrophobicContact CG1-CD1 3.93Å; L188-L192 VanDerWaalsContact O-CB 3.26Å; L188-L192 WeakPolarHBondContact O-CB 3.28Å; L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 3.03Å; L192-N194 PolarHBondContact O-N 3.25Å; L192-V195 HydrophobicContact CD2-CB 4.42Å; L192-V195 PolarHBondContact O-N 3.02Å; L192-V195 VanDerWaalsContact O-N 3.15Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.18Å; L192-V204 HydrophobicContact CD1-CG1 4.28Å; L192-V204 HydrophobicContact CD1-CG2 4.38Å; L192-V204 HydrophobicContact CD2-CG2 4.37Å
193	K	94.4	Very high	96.2	Very high	63 Å²	63	28.6 Å²	28.6	27%	0.274	15%	0.147	S	C	.	.	H	α-helix	trans	-57.4	-37.3	171.7	-169.1	167.6	179.2	174.2	0	113	L191 L197 H219 Y220 H430	L191-K193 PolarHBondContact O-N 3.17Å; L191-K193 VanDerWaalsContact O-N 3.15Å; K193-L197 WeakPolarHBondContact O-CG 3.47Å; K193-H219 PolarHBondContact NZ-O 3.13Å; K193-Y220 HydrophobicContact CB-CE1 4.15Å; K193-Y220 HydrophobicContact CG-CE1 4.45Å; K193-H430 HydrophobicContact CB-CB 4.42Å; K193-H430 HydrophobicContact CD-CB 3.86Å
194	N	93.9	Very high	96.4	Very high	19 Å²	19	27.5 Å²	27.5	10%	0.102	14%	0.141	C	C	.	.	H	α-helix	trans	-74.6	-40.8	174	-70.4	-32.4	0	0	0	111.7	L191 L192 L196 L197 Q198 L426 G427 Q428 H430	L191-N194 WeakPolarHBondContact O-CA 3.36Å; L191-N194 WeakPolarHBondContact O-CB 3.17Å; L191-N194 PolarHBondContact O-N 2.82Å; L192-N194 PolarHBondContact O-N 3.25Å; N194-L196 PolarHBondContact O-N 2.88Å; N194-L197 WeakPolarHBondContact O-CB 3.5Å; N194-L197 PolarHBondContact O-N 2.95Å; N194-Q198 PolarHBondContact O-N 3.1Å; N194-L426 HydrophobicContact CB-CD2 4.32Å; N194-G427 PolarHBondContact ND2-O 3.31Å; N194-G427 VanDerWaalsContact ND2-O 3.12Å; N194-Q428 PolarHBondContact ND2-O 3.25Å; N194-H430 PolarHBondContact OD1-CE1 3.36Å; N194-H430 PolarHBondContact OD1-ND1 2.77Å
195	V	96.5	Very high	96.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-44.9	178.5	-178.7	0	0	0	0	110.9	M161 L191 L192 L197 Q198 R199 L202 L426	M161-V195 HydrophobicContact CE-CG2 4.19Å; L191-V195 PolarHBondContact O-N 3.36Å; L192-V195 HydrophobicContact CD2-CB 4.42Å; L192-V195 PolarHBondContact O-N 3.02Å; L192-V195 VanDerWaalsContact O-N 3.15Å; V195-L197 PolarHBondContact O-N 2.87Å; V195-Q198 CarbonylContact O-C 3.54Å; V195-Q198 PolarHBondContact O-N 3.06Å; V195-R199 HydrophobicContact CG1-CG 4.45Å; V195-R199 PolarHBondContact O-N 3.4Å; V195-L202 HydrophobicContact CG1-CD2 3.58Å; V195-L426 HydrophobicContact CG2-CD2 3.8Å
196	L	95.9	Very high	96.6	Very high	15 Å²	15	27.3 Å²	27.3	8%	0.079	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-31.9	178.4	-72	167.6	0	0	0	112.7	Q70 L192 N194 Q198 L202 V204 Y220	Q70-L196 VanDerWaalsContact CD-CD2 3.46Å; Q70-L196 HydrophobicContact CG-CD2 3.64Å; Q70-L196 VanDerWaalsContact NE2-CD2 3.28Å; Q70-L196 PolarHBondContact NE2-O 2.77Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.18Å; N194-L196 PolarHBondContact O-N 2.88Å; L196-Q198 VanDerWaalsContact C-N 3.31Å; L196-L202 HydrophobicContact CD2-CD2 4.41Å; L196-V204 HydrophobicContact CD1-CG2 4.3Å; L196-V204 HydrophobicContact CD2-CB 4.35Å; L196-V204 HydrophobicContact CD2-CG2 3.74Å; L196-V204 HydrophobicContact CG-CG2 4.24Å; L196-Y220 HydrophobicContact CD1-CE1 4.38Å
197	L	93.9	Very high	96.6	Very high	133 Å²	133	27.3 Å²	27.3	70%	0.696	14%	0.139	S	C	*	.	H	α-helix	trans	-69.7	-29.7	175.1	-66.5	172.7	0	0	0	112.7	K193 N194 V195	K193-L197 WeakPolarHBondContact O-CG 3.47Å; N194-L197 WeakPolarHBondContact O-CB 3.5Å; N194-L197 PolarHBondContact O-N 2.95Å; V195-L197 PolarHBondContact O-N 2.87Å
198	Q	94.8	Very high	96.5	Very high	133 Å²	133	27.7 Å²	27.7	62%	0.621	14%	0.141	S	C	*	.	H	α-helix	trans	-91.9	-27.3	-179.3	-60.2	-60.4	-32.6	0	0	112.6	F166 N194 V195 L196 P200	F166-Q198 HydrophobicContact CD1-CB 4.11Å; F166-Q198 HydrophobicContact CD1-CG 4.39Å; F166-Q198 HydrophobicContact CE1-CB 3.96Å; F166-Q198 HydrophobicContact CE1-CG 3.76Å; N194-Q198 PolarHBondContact O-N 3.1Å; V195-Q198 CarbonylContact O-C 3.54Å; V195-Q198 PolarHBondContact O-N 3.06Å; L196-Q198 VanDerWaalsContact C-N 3.31Å; Q198-P200 WeakPolarHBondContact O-CD 3.3Å
199	R	96.8	Very high	96.1	Very high	20 Å²	20	28.3 Å²	28.3	8%	0.075	14%	0.144	C	C	.	.			trans	-119.9	79.6	-176.1	-67.7	-165.1	63.9	-160.2	-0.6	112.1	Q70 F166 L167 E168 Y170 V195 E201 L202	Q70-R199 PolarHBondContact NE2-O 2.87Å; F166-R199 HydrophobicContact CB-CG 4.49Å; F166-R199 WeakPolarHBondContact O-CD 3.38Å; F166-R199 PolarHBondContact O-NH1 3.48Å; L167-R199 PolarHBondContact O-NH1 3.09Å; E168-R199 VanDerWaalsContact CA-NH1 3.33Å; Y170-R199 PolarHBondContact O-NH1 3.42Å; Y170-R199 PolarHBondContact O-NH2 3.42Å; V195-R199 HydrophobicContact CG1-CG 4.45Å; V195-R199 PolarHBondContact O-N 3.4Å; R199-E201 IonicContact CZ-OE1 3.6Å; R199-E201 IonicContact NE-OE1 3.48Å; R199-E201 PolarHBondContact NE-OE1 3.26Å; R199-E201 IonicContact NH2-OE1 2.84Å; R199-E201 PolarHBondContact NH2-OE1 3.27Å; R199-E201 PolarHBondContact O-N 2.96Å; R199-L202 HydrophobicContact CB-CB 3.8Å; R199-L202 HydrophobicContact CB-CD2 4.5Å; R199-L202 WeakPolarHBondContact O-CB 3.49Å; R199-L202 PolarHBondContact O-N 2.99Å; R199-L202 VanDerWaalsContact O-N 3.13Å
200	P	95.9	Very high	95.7	Very high	97 Å²	97	32.5 Å²	32.5	63%	0.63	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.2	-177.8	26.9	-35.7	0	0	0	114.1	Q198	Q198-P200 WeakPolarHBondContact O-CD 3.3Å
201	E	95.9	Very high	95.3	Very high	64 Å²	64	34.2 Å²	34.2	30%	0.299	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-25.6	176.4	76.3	-66.4	164.1	0	0	113.8	H101 R199 K203	H101-E201 HydrophobicContact CB-CG 4.38Å; R199-E201 IonicContact CZ-OE1 3.6Å; R199-E201 IonicContact NE-OE1 3.48Å; R199-E201 PolarHBondContact NE-OE1 3.26Å; R199-E201 IonicContact NH2-OE1 2.84Å; R199-E201 PolarHBondContact NH2-OE1 3.27Å; R199-E201 PolarHBondContact O-N 2.96Å; E201-K203 PolarHBondContact O-N 3.44Å
202	L	98.2	Very high	94.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.			trans	-64.6	133.3	-179.8	175.1	66.9	0	0	0	110	Q70 I173 V195 L196 R199 V204	Q70-L202 WeakPolarHBondContact CG-O 3.32Å; I173-L202 HydrophobicContact CD1-CD1 3.95Å; I173-L202 HydrophobicContact CD1-CD2 4.13Å; I173-L202 HydrophobicContact CG1-CD1 4.08Å; V195-L202 HydrophobicContact CG1-CD2 3.58Å; L196-L202 HydrophobicContact CD2-CD2 4.41Å; R199-L202 HydrophobicContact CB-CB 3.8Å; R199-L202 HydrophobicContact CB-CD2 4.5Å; R199-L202 WeakPolarHBondContact O-CB 3.49Å; R199-L202 PolarHBondContact O-N 2.99Å; R199-L202 VanDerWaalsContact O-N 3.13Å; L202-V204 HydrophobicContact CD2-CG2 4.44Å; L202-V204 HydrophobicContact CG-CG2 4.46Å
203	K	98.5	Very high	94.7	Very high	26 Å²	26	34.5 Å²	34.5	11%	0.113	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.4	172.3	-53.9	-63.6	-172.2	159.9	0	110.5	L66 E67 N69 Q70 F93 G171 V172 I173 E201	L66-K203 HydrophobicContact CD1-CB 3.89Å; L66-K203 HydrophobicContact CD1-CG 4.2Å; L66-K203 VanDerWaalsContact O-CE 3.29Å; L66-K203 WeakPolarHBondContact O-CE 3.45Å; L66-K203 PolarHBondContact O-NZ 3.09Å; E67-K203 PolarHBondContact O-NZ 3.19Å; N69-K203 WeakPolarHBondContact O-CD 3.42Å; N69-K203 PolarHBondContact O-NZ 3.31Å; Q70-K203 CarbonylContact O-C 3.41Å; Q70-K203 WeakPolarHBondContact O-CA 3.46Å; F93-K203 HydrophobicContact CE1-CG 4.16Å; G171-K203 PolarHBondContact O-N 3.43Å; V172-K203 CarbonylContact C-O 3.57Å; V172-K203 VanDerWaalsContact CA-O 3.32Å; V172-K203 WeakPolarHBondContact CA-O 3.37Å; V172-K203 HydrophobicContact CB-CB 4.46Å; V172-K203 HydrophobicContact CG1-CB 4.27Å; V172-K203 HydrophobicContact CG2-CB 4.06Å; V172-K203 HydrophobicContact CG2-CG 4.44Å; I173-K203 PolarHBondContact N-O 3.38Å; E201-K203 PolarHBondContact O-N 3.44Å
204	V	98.7	Very high	94.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.6	172.3	175.4	0	0	0	0	109.7	Q70 L71 V72 I173 L192 L196 L202 I206	Q70-V204 PolarHBondContact O-N 2.75Å; L71-V204 CarbonylContact C-O 3.59Å; L71-V204 VanDerWaalsContact CA-O 3.28Å; L71-V204 WeakPolarHBondContact CA-O 3.01Å; L71-V204 HydrophobicContact CD1-CB 3.54Å; L71-V204 HydrophobicContact CD1-CG1 3.41Å; L71-V204 VanDerWaalsContact CD1-CG1 3.41Å; V72-V204 PolarHBondContact N-O 2.96Å; I173-V204 HydrophobicContact CB-CG2 4.34Å; I173-V204 CarbonylContact O-C 3.58Å; I173-V204 VanDerWaalsContact O-CA 3.25Å; I173-V204 WeakPolarHBondContact O-CA 3.43Å; L192-V204 HydrophobicContact CD1-CG1 4.28Å; L192-V204 HydrophobicContact CD1-CG2 4.38Å; L192-V204 HydrophobicContact CD2-CG2 4.37Å; L196-V204 HydrophobicContact CD1-CG2 4.3Å; L196-V204 HydrophobicContact CD2-CB 4.35Å; L196-V204 HydrophobicContact CD2-CG2 3.74Å; L196-V204 HydrophobicContact CG-CG2 4.24Å; L202-V204 HydrophobicContact CD2-CG2 4.44Å; L202-V204 HydrophobicContact CG-CG2 4.46Å; V204-I206 HydrophobicContact CG1-CG1 4.26Å
205	V	98.8	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.2	174.7	-177.1	0	0	0	0	108.5	F62 L66 V72 V74 I86 V172 I173 I174 I175 L207	F62-V205 HydrophobicContact CE2-CG1 3.96Å; F62-V205 HydrophobicContact CE2-CG2 4.21Å; F62-V205 HydrophobicContact CZ-CG1 4.39Å; F62-V205 HydrophobicContact CZ-CG2 4.1Å; L66-V205 HydrophobicContact CD1-CG2 3.85Å; V72-V205 WeakPolarHBondContact O-CA 3.39Å; V74-V205 HydrophobicContact CG2-CG1 4.38Å; I86-V205 HydrophobicContact CG2-CG1 3.99Å; V172-V205 HydrophobicContact CG1-CG2 4.3Å; I173-V205 PolarHBondContact O-N 2.78Å; I174-V205 CarbonylContact C-O 3.59Å; I174-V205 VanDerWaalsContact CA-O 3.3Å; I174-V205 WeakPolarHBondContact CA-O 3.32Å; I174-V205 HydrophobicContact CG1-CB 4.22Å; I174-V205 HydrophobicContact CG2-CB 4.33Å; I175-V205 PolarHBondContact N-O 2.85Å; V205-L207 HydrophobicContact CG1-CD2 3.7Å; V205-L207 HydrophobicContact CG1-CG 4.46Å
206	I	98.4	Very high	94.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.3	177	-57.4	171.7	0	0	0	108.3	L71 V72 I73 V74 A178 L189 V204 L216 Y220	L71-I206 HydrophobicContact CD1-CD1 3.86Å; L71-I206 HydrophobicContact CD1-CG1 4.06Å; V72-I206 PolarHBondContact O-N 3.19Å; I73-I206 WeakPolarHBondContact CA-O 3.47Å; I73-I206 HydrophobicContact CG1-CB 4.33Å; I73-I206 HydrophobicContact CG1-CD1 4.41Å; V74-I206 PolarHBondContact N-O 2.96Å; A178-I206 HydrophobicContact CB-CG2 3.64Å; L189-I206 HydrophobicContact CD2-CD1 3.58Å; L189-I206 HydrophobicContact CD2-CG1 3.89Å; V204-I206 HydrophobicContact CG1-CG1 4.26Å; I206-L216 HydrophobicContact CG2-CD1 3.92Å; I206-Y220 HydrophobicContact CD1-CD2 4.13Å; I206-Y220 HydrophobicContact CD1-CE2 3.59Å
207	L	96.9	Very high	94.4	Very high	2 Å²	2	43 Å²	43	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.1	174.2	-46.3	-179	0	0	0	108.9	V74 I86 I174 I175 D176 Q177 A178 V205	V74-L207 HydrophobicContact CB-CD2 3.74Å; V74-L207 HydrophobicContact CG2-CD2 4.09Å; V74-L207 WeakPolarHBondContact O-CA 3.27Å; I86-L207 HydrophobicContact CD1-CD1 4.36Å; I86-L207 HydrophobicContact CD1-CD2 3.39Å; I86-L207 HydrophobicContact CG2-CD2 4.16Å; I174-L207 HydrophobicContact CG2-CD1 3.8Å; I174-L207 HydrophobicContact CG2-CG 3.91Å; I175-L207 PolarHBondContact O-N 3.5Å; D176-L207 HydrophobicContact CB-CD1 4.36Å; D176-L207 WeakPolarHBondContact OD1-CB 3.41Å; Q177-L207 PolarHBondContact N-O 2.87Å; A178-L207 PolarHBondContact N-O 3.49Å; V205-L207 HydrophobicContact CG1-CD2 3.7Å; V205-L207 HydrophobicContact CG1-CG 4.46Å
208	T	94.4	Very high	94.4	Very high	9 Å²	9	40 Å²	40	6%	0.055	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	176.1	-172.9	-164	0	0	0	0	112.4	I73 V74 S75 G76 H179 V213 L216	I73-T208 HydrophobicContact CG2-CG2 4.11Å; V74-T208 PolarHBondContact O-N 3.25Å; S75-T208 CarbonylContact C-O 3.53Å; S75-T208 VanDerWaalsContact CA-O 3.3Å; S75-T208 WeakPolarHBondContact CA-O 3.41Å; G76-T208 PolarHBondContact N-O 3.16Å; H179-T208 PolarHBondContact N-OG1 3.36Å; T208-V213 HydrophobicContact CG2-CG2 4.01Å; T208-L216 HydrophobicContact CG2-CD1 3.82Å
209	M	90.5	Very high	94.4	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.059	21%	0.206	C	C	.	.			trans	-95.9	159.1	169.5	-65.3	-164.8	94.2	0	0	112.1	G76 V77 H179 A211 V212 V377	G76-M209 WeakPolarHBondContact O-CA 3.27Å; V77-M209 HydrophobicContact CB-CE 3.96Å; V77-M209 HydrophobicContact CG1-CE 3.86Å; H179-M209 HydrophobicContact CB-CB 4.05Å; H179-M209 HydrophobicContact CB-CG 4.23Å; M209-A211 PolarHBondContact O-N 2.89Å; M209-A211 VanDerWaalsContact O-N 3.11Å; M209-V212 PolarHBondContact O-N 3.36Å; M209-V377 HydrophobicContact CE-CG2 3.93Å; M209-V377 HydrophobicContact SD-CB 4.42Å; M209-V377 HydrophobicContact SD-CG2 3.17Å; M209-V377 WeakPolarHBondContact SD-CG2 3.42Å
210	S	87.4	Confident	94.2	Very high	89 Å²	89	35.5 Å²	35.5	62%	0.622	21%	0.209	S	C	*	.	H	α-helix	trans	-52.2	-36.5	-177.8	-174.5	0	0	0	0	113.4	S75 V212 V213	S75-S210 VanDerWaalsContact OG-CA 3.24Å; S75-S210 WeakPolarHBondContact OG-CA 3.39Å; S75-S210 PolarHBondContact OG-N 3.32Å; S210-V212 PolarHBondContact O-N 3.42Å; S210-V212 VanDerWaalsContact O-N 3.11Å; S210-V213 PolarHBondContact O-N 3.19Å
211	A	86.9	Confident	94	Very high	36 Å²	36	32.7 Å²	32.7	30%	0.298	20%	0.198	S	C	.	.	H	α-helix	trans	-58	-29.2	-176.9	0	0	0	0	0	114.3	M209 C373 E401	M209-A211 PolarHBondContact O-N 2.89Å; M209-A211 VanDerWaalsContact O-N 3.11Å; A211-C373 HydrophobicContact CB-CB 3.94Å; A211-E401 HydrophobicContact CB-CG 3.94Å; A211-E401 WeakPolarHBondContact O-CG 3.15Å
212	V	88.4	Confident	93.7	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-103	-7.7	-173.2	-174.3	0	0	0	0	112.6	H179 M209 S210 D214 R215 L216 E401	H179-V212 HydrophobicContact CB-CG2 3.83Å; M209-V212 PolarHBondContact O-N 3.36Å; S210-V212 PolarHBondContact O-N 3.42Å; S210-V212 VanDerWaalsContact O-N 3.11Å; V212-D214 PolarHBondContact O-N 3.36Å; V212-R215 PolarHBondContact O-N 3.11Å; V212-L216 HydrophobicContact CG1-CD1 4.2Å; V212-L216 HydrophobicContact CG1-CG 4.19Å; V212-L216 PolarHBondContact O-N 3.25Å; V212-L216 VanDerWaalsContact O-N 3.16Å; V212-E401 HydrophobicContact CG2-CG 4.14Å
213	V	93.1	Very high	93.6	Very high	7 Å²	7	37 Å²	37	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-57.2	-46.6	-174.6	171.9	0	0	0	0	112.2	S75 T208 S210 R215 L216 L217 L225	S75-V213 WeakPolarHBondContact OG-CG2 3.38Å; T208-V213 HydrophobicContact CG2-CG2 4.01Å; S210-V213 PolarHBondContact O-N 3.19Å; V213-R215 VanDerWaalsContact C-N 3.28Å; V213-R215 PolarHBondContact O-N 2.83Å; V213-L216 PolarHBondContact O-N 3.02Å; V213-L216 VanDerWaalsContact O-N 3.11Å; V213-L217 HydrophobicContact CG1-CD1 3.77Å; V213-L217 HydrophobicContact CG1-CG 4.14Å; V213-L217 WeakPolarHBondContact O-CG 3.39Å; V213-L217 PolarHBondContact O-N 3.02Å; V213-L225 HydrophobicContact CG1-CD1 3.79Å; V213-L225 HydrophobicContact CG1-CD2 3.68Å; V213-L225 HydrophobicContact CG1-CG 4.38Å; V213-L225 HydrophobicContact CG2-CD1 4.28Å
214	D	92.8	Very high	93.5	Very high	130 Å²	130	37.4 Å²	37.4	70%	0.695	24%	0.24	S	C	*	.	H	α-helix	trans	-61.9	-36.2	-177.4	-73.1	-21.1	0	0	0	112.2	V212 G218	V212-D214 PolarHBondContact O-N 3.36Å; D214-G218 PolarHBondContact O-N 3.33Å
215	R	92.8	Very high	93.4	Very high	98 Å²	98	40.1 Å²	40.1	37%	0.37	25%	0.254	S	S	.	.	H	α-helix	trans	-68.1	-42	174.7	-65.1	-158.9	-150.3	-107.1	-14.3	111.9	V212 V213 G218 H219 E401 I432 E433	V212-R215 PolarHBondContact O-N 3.11Å; V213-R215 VanDerWaalsContact C-N 3.28Å; V213-R215 PolarHBondContact O-N 2.83Å; R215-G218 PolarHBondContact O-N 3.25Å; R215-H219 WeakPolarHBondContact O-CB 3.39Å; R215-H219 PolarHBondContact O-N 3.37Å; R215-E401 WeakPolarHBondContact CD-OE2 3.44Å; R215-E401 IonicContact CZ-OE1 3.03Å; R215-E401 IonicContact CZ-OE2 3.6Å; R215-E401 IonicContact NE-OE1 2.68Å; R215-E401 PolarHBondContact NE-OE1 3.27Å; R215-E401 IonicContact NE-OE2 3.19Å; R215-E401 PolarHBondContact NE-OE2 2.94Å; R215-E401 IonicContact NH2-OE1 3.41Å; R215-E401 PolarHBondContact NH2-OE1 3.37Å; R215-E401 IonicContact NH2-OE2 2.86Å; R215-E401 PolarHBondContact NH2-OE2 3.5Å; R215-I432 HydrophobicContact CB-CG2 4.48Å; R215-E433 IonicContact NH1-OE2 2.99Å
216	L	94.6	Very high	93.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-40.6	178.3	-68.1	167.8	0	0	0	111.5	I73 L189 I206 T208 V212 V213 H219 Y220 I432	I73-L216 HydrophobicContact CD1-CB 3.93Å; L189-L216 HydrophobicContact CD1-CD2 4.1Å; I206-L216 HydrophobicContact CG2-CD1 3.92Å; T208-L216 HydrophobicContact CG2-CD1 3.82Å; V212-L216 HydrophobicContact CG1-CD1 4.2Å; V212-L216 HydrophobicContact CG1-CG 4.19Å; V212-L216 PolarHBondContact O-N 3.25Å; V212-L216 VanDerWaalsContact O-N 3.16Å; V213-L216 PolarHBondContact O-N 3.02Å; V213-L216 VanDerWaalsContact O-N 3.11Å; L216-H219 WeakPolarHBondContact O-CB 3.47Å; L216-H219 PolarHBondContact O-N 3.24Å; L216-H219 VanDerWaalsContact O-N 3.16Å; L216-Y220 PolarHBondContact O-N 3.19Å; L216-I432 HydrophobicContact CD2-CD1 3.94Å
217	L	94.9	Very high	93.1	Very high	47 Å²	47	44.6 Å²	44.6	25%	0.246	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-38.9	172.4	-68.7	176.1	0	0	0	111.6	I73 V213 H219 G221 V223	I73-L217 HydrophobicContact CD1-CD2 4.02Å; V213-L217 HydrophobicContact CG1-CD1 3.77Å; V213-L217 HydrophobicContact CG1-CG 4.14Å; V213-L217 WeakPolarHBondContact O-CG 3.39Å; V213-L217 PolarHBondContact O-N 3.02Å; L217-H219 VanDerWaalsContact C-N 3.26Å; L217-H219 PolarHBondContact O-N 2.77Å; L217-G221 CarbonylContact O-C 3.56Å; L217-G221 WeakPolarHBondContact O-CA 3.36Å; L217-G221 PolarHBondContact O-N 2.85Å; L217-G221 VanDerWaalsContact O-O 3.12Å; L217-V223 HydrophobicContact CD2-CB 4.37Å
218	G	93.9	Very high	92.8	Very high	68 Å²	68	45.2 Å²	45.2	70%	0.701	28%	0.281	S	S	*	.	H	α-helix	trans	-61.6	-35	171	0	0	0	0	0	112.9	D214 R215	D214-G218 PolarHBondContact O-N 3.33Å; R215-G218 PolarHBondContact O-N 3.25Å
219	H	94.2	Very high	92.2	Very high	24 Å²	24	52.8 Å²	52.8	11%	0.111	32%	0.316	C	S	.	.	H	α-helix	trans	-77.1	-47.4	-178	-170.1	75.9	0	0	0	113.4	K193 R215 L216 L217 H430 I432	K193-H219 PolarHBondContact NZ-O 3.13Å; R215-H219 WeakPolarHBondContact O-CB 3.39Å; R215-H219 PolarHBondContact O-N 3.37Å; L216-H219 WeakPolarHBondContact O-CB 3.47Å; L216-H219 PolarHBondContact O-N 3.24Å; L216-H219 VanDerWaalsContact O-N 3.16Å; L217-H219 VanDerWaalsContact C-N 3.26Å; L217-H219 PolarHBondContact O-N 2.77Å; H219-H430 PolarHBondContact CE1-O 3.45Å; H219-H430 PolarHBondContact NE2-O 2.88Å; H219-I432 HydrophobicContact CB-CG1 4.44Å
220	Y	93.9	Very high	91.4	Very high	36 Å²	36	54.7 Å²	54.7	14%	0.141	33%	0.326	C	S	.	.	H	α-helix	trans	-98.6	-12.3	-175.5	-72.6	-78	0	0	0	114	L71 L189 K193 L196 I206 L216	L71-Y220 HydrophobicContact CD2-CD1 3.4Å; L71-Y220 VanDerWaalsContact CD2-CD1 3.4Å; L71-Y220 HydrophobicContact CD2-CD2 3.92Å; L71-Y220 HydrophobicContact CD2-CE1 3.91Å; L71-Y220 HydrophobicContact CD2-CE2 4.39Å; L71-Y220 HydrophobicContact CD2-CG 3.38Å; L189-Y220 WeakPolarHBondContact CA-OH 3.48Å; L189-Y220 HydrophobicContact CD2-CE2 4.27Å; L189-Y220 PolarHBondContact O-OH 2.8Å; K193-Y220 HydrophobicContact CB-CE1 4.15Å; K193-Y220 HydrophobicContact CG-CE1 4.45Å; L196-Y220 HydrophobicContact CD1-CE1 4.38Å; I206-Y220 HydrophobicContact CD1-CD2 4.13Å; I206-Y220 HydrophobicContact CD1-CE2 3.59Å; L216-Y220 PolarHBondContact O-N 3.19Å
221	G	90.9	Very high	90.6	Very high	38 Å²	38	55 Å²	55	39%	0.392	33%	0.328	S	S	.	.			trans	83.1	-140.5	-177.7	0	0	0	0	0	112.6	L217 V223	L217-G221 CarbonylContact O-C 3.56Å; L217-G221 WeakPolarHBondContact O-CA 3.36Å; L217-G221 PolarHBondContact O-N 2.85Å; L217-G221 VanDerWaalsContact O-O 3.12Å; G221-V223 PolarHBondContact O-N 2.95Å; G221-V223 VanDerWaalsContact O-N 3.17Å
222	S	89.9	Confident	90	Very high	134 Å²	134	55.8 Å²	55.8	94%	0.937	34%	0.339	S	S	*	.	S	Bend	trans	-79.4	99.7	-176.3	-178.3	0	0	0	0	110.9
223	V	94.8	Very high	89.6	Confident	21 Å²	21	58.6 Å²	58.6	13%	0.127	36%	0.359	C	S	.	.			trans	-123.8	142.9	-178.1	-175.3	0	0	0	0	109.3	L71 I73 L217 G221 L225	L71-V223 HydrophobicContact CB-CG1 3.97Å; L71-V223 HydrophobicContact CD2-CB 4.47Å; L71-V223 HydrophobicContact CD2-CG1 3.86Å; L71-V223 HydrophobicContact CD2-CG2 3.72Å; L71-V223 HydrophobicContact CG-CG1 3.71Å; L71-V223 HydrophobicContact CG-CG2 4.45Å; L71-V223 VanDerWaalsContact O-CG1 3.27Å; L71-V223 WeakPolarHBondContact O-CG1 3.46Å; I73-V223 HydrophobicContact CD1-CB 4.26Å; I73-V223 HydrophobicContact CD1-CG1 4.21Å; I73-V223 HydrophobicContact CG1-CG1 4.02Å; L217-V223 HydrophobicContact CD2-CB 4.37Å; G221-V223 PolarHBondContact O-N 2.95Å; G221-V223 VanDerWaalsContact O-N 3.17Å; V223-L225 PolarHBondContact O-N 3.47Å
224	P	96.5	Very high	89.3	Confident	34 Å²	34	58.5 Å²	58.5	22%	0.221	36%	0.359	C	S	.	.			trans	-54.8	126.2	171.1	-21	28.6	0	0	0	111.8	A65 N69 L71 I73	A65-P224 HydrophobicContact CB-CB 4.3Å; N69-P224 HydrophobicContact CB-CG 3.74Å; N69-P224 WeakPolarHBondContact ND2-CG 3.46Å; N69-P224 WeakPolarHBondContact OD1-CG 3.15Å; L71-P224 WeakPolarHBondContact O-CD 3.5Å; I73-P224 PolarHBondContact N-O 3.22Å
225	L	96.8	Very high	89.3	Confident	56 Å²	56	57.9 Å²	57.9	29%	0.293	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.4	175.3	175.2	65.6	0	0	0	109.5	I73 V213 V223 N227	I73-L225 HydrophobicContact CB-CD1 4.15Å; I73-L225 HydrophobicContact CG2-CD1 3.76Å; I73-L225 WeakPolarHBondContact O-CA 3.32Å; V213-L225 HydrophobicContact CG1-CD1 3.79Å; V213-L225 HydrophobicContact CG1-CD2 3.68Å; V213-L225 HydrophobicContact CG1-CG 4.38Å; V213-L225 HydrophobicContact CG2-CD1 4.28Å; V223-L225 PolarHBondContact O-N 3.47Å; L225-N227 WeakPolarHBondContact CG-OD1 3.47Å
226	I	96.8	Very high	89.4	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.015	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.3	173.2	-59	177	0	0	0	108.1	V58 Q61 F62 A65 V72 I73 V74 S75	V58-I226 HydrophobicContact CB-CG2 4.06Å; V58-I226 HydrophobicContact CG1-CG2 4.36Å; V58-I226 HydrophobicContact CG2-CG2 3.91Å; Q61-I226 HydrophobicContact CG-CD1 4.19Å; Q61-I226 HydrophobicContact CG-CG1 4.35Å; F62-I226 VanDerWaalsContact CA-CD1 3.47Å; F62-I226 HydrophobicContact CB-CD1 3.84Å; F62-I226 HydrophobicContact CD2-CD1 4.11Å; F62-I226 HydrophobicContact CG-CD1 4.49Å; A65-I226 HydrophobicContact CB-CD1 4.19Å; V72-I226 HydrophobicContact CG1-CD1 4.22Å; I73-I226 PolarHBondContact O-N 3.23Å; V74-I226 CarbonylContact C-O 3.59Å; V74-I226 WeakPolarHBondContact CA-O 3.26Å; V74-I226 HydrophobicContact CG1-CB 4.45Å; V74-I226 HydrophobicContact CG2-CB 4.38Å; S75-I226 PolarHBondContact N-O 2.83Å
227	N	94.7	Very high	89.4	Confident	91 Å²	91	57.4 Å²	57.4	49%	0.487	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123	179.8	-65.7	-36.3	0	0	0	110.3	S75 L225	S75-N227 WeakPolarHBondContact CB-OD1 3.48Å; S75-N227 CarbonylContact O-C 3.55Å; S75-N227 WeakPolarHBondContact O-CA 3.39Å; L225-N227 WeakPolarHBondContact CG-OD1 3.47Å
228	L	91.1	Very high	89.3	Confident	15 Å²	15	58.6 Å²	58.6	8%	0.079	36%	0.361	C	S	.	.			trans	-91.1	111.7	176.5	-59.3	-179.5	0	0	0	109.7	V55 V58 V74 S75 T80	V55-L228 HydrophobicContact CB-CD1 4.15Å; V55-L228 HydrophobicContact CB-CD2 4.34Å; V55-L228 HydrophobicContact CG2-CD1 3.96Å; V55-L228 HydrophobicContact CG2-CD2 4.13Å; V58-L228 HydrophobicContact CB-CD2 4.43Å; V58-L228 HydrophobicContact CG1-CD2 4.28Å; V58-L228 HydrophobicContact CG2-CD2 3.32Å; V74-L228 HydrophobicContact CG1-CD1 3.87Å; V74-L228 HydrophobicContact CG1-CD2 4.48Å; V74-L228 HydrophobicContact CG1-CG 3.97Å; S75-L228 PolarHBondContact O-N 2.82Å; T80-L228 HydrophobicContact CG2-CB 3.98Å; T80-L228 HydrophobicContact CG2-CD1 4.35Å
229	E	80.4	Confident	89	Confident	169 Å²	169	57.4 Å²	57.4	79%	0.79	34%	0.34	S	S	*	.			trans	-91.6	133.9	174.6	-63.4	-175.5	173.6	0	0	111.1
230	I	75.3	Confident	88.3	Confident	52 Å²	52	63.7 Å²	63.7	27%	0.267	38%	0.375	S	S	.	.			trans	-95.1	138.1	169.6	-61.4	-165.3	0	0	0	110.1	P54 V77 T80 G232	P54-I230 HydrophobicContact CG-CG1 4.4Å; V77-I230 HydrophobicContact CG2-CD1 3.09Å; V77-I230 HydrophobicContact CG2-CG1 3.64Å; T80-I230 HydrophobicContact CG2-CD1 3.74Å; T80-I230 HydrophobicContact CG2-CG1 3.64Å; I230-G232 PolarHBondContact O-N 3.48Å
231	S	69.2	Low	87	Confident	95 Å²	95	66 Å²	66	66%	0.664	39%	0.388	S	S	*	.	S	Bend	trans	-80.3	113	169.9	-57.7	0	0	0	0	110.4
232	G	74.9	Confident	85.8	Confident	52 Å²	52	71 Å²	71	54%	0.536	41%	0.405	S	S	.	.			trans	90.5	158.8	-179.9	0	0	0	0	0	113.5	I230	I230-G232 PolarHBondContact O-N 3.48Å
233	S	80.6	Confident	84.3	Confident	59 Å²	59	68.8 Å²	68.8	41%	0.413	38%	0.383	S	S	.	.			trans	-143.8	138.7	178.2	165.8	0	0	0	0	108	K379	S233-K379 WeakPolarHBondContact OG-CE 3.48Å; S233-K379 PolarHBondContact OG-NZ 3.23Å
234	P	86.6	Confident	83	Confident	6 Å²	6	77 Å²	77	4%	0.039	42%	0.417	C	S	.	.			trans	-58.3	151.3	172.5	26	-34.3	0	0	0	110.6	K379 C382 G386	P234-K379 HydrophobicContact CG-CD 4.5Å; P234-K379 HydrophobicContact CG-CG 3.69Å; P234-K379 WeakPolarHBondContact CG-O 3.5Å; P234-C382 HydrophobicContact CB-CB 4.01Å; P234-C382 HydrophobicContact CG-CB 4.11Å; P234-G386 WeakPolarHBondContact CA-O 3.28Å; P234-G386 WeakPolarHBondContact CB-O 3.47Å
235	E	93	Very high	82.4	Confident	117 Å²	117	79.8 Å²	79.8	55%	0.547	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	130.3	172.8	-178.4	-177.3	-174.9	0	0	108.9	V237 G386 K387 C388	E235-V237 HydrophobicContact CG-CG2 4.39Å; E235-G386 PolarHBondContact N-O 3.17Å; E235-K387 HydrophobicContact CB-CG 4.27Å; E235-K387 CarbonylContact O-C 3.55Å; E235-K387 WeakPolarHBondContact O-CA 3.4Å; E235-K387 WeakPolarHBondContact OE2-CE 3.31Å; E235-C388 PolarHBondContact O-N 3.15Å
236	V	94.1	Very high	82	Confident	39 Å²	39	78.7 Å²	78.7	24%	0.236	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.2	178.1	-174.8	0	0	0	0	108.8	Y238 K379 C388 R390	V236-Y238 HydrophobicContact CB-CE2 4.27Å; V236-Y238 HydrophobicContact CG1-CD2 4.13Å; V236-Y238 HydrophobicContact CG1-CE1 4.13Å; V236-Y238 HydrophobicContact CG1-CE2 3.59Å; V236-K379 HydrophobicContact CG2-CD 3.74Å; V236-K379 HydrophobicContact CG2-CG 4.19Å; V236-C388 WeakPolarHBondContact CA-O 3.15Å; V236-C388 HydrophobicContact CG2-CB 4.49Å; V236-R390 HydrophobicContact CG1-CG 4.1Å
237	V	94.7	Very high	81.9	Confident	50 Å²	50	79 Å²	79	30%	0.303	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.6	177.2	-177.1	0	0	0	0	108.2	E235 C388 F389 R390	E235-V237 HydrophobicContact CG-CG2 4.39Å; V237-C388 PolarHBondContact N-O 3.32Å; V237-F389 HydrophobicContact CB-CD1 3.79Å; V237-F389 HydrophobicContact CB-CE1 4.16Å; V237-F389 HydrophobicContact CG1-CD1 4.12Å; V237-F389 HydrophobicContact CG1-CE1 4.4Å; V237-F389 HydrophobicContact CG2-CD1 4.25Å; V237-F389 HydrophobicContact CG2-CE1 4.15Å; V237-F389 CarbonylContact O-C 3.52Å; V237-F389 WeakPolarHBondContact O-CA 3.19Å; V237-R390 PolarHBondContact O-N 2.79Å
238	Y	92.9	Very high	81.7	Confident	72 Å²	72	81.4 Å²	81.4	28%	0.282	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	151.1	176.7	-63.1	-86.5	0	0	0	110.8	V236 R390 Y392 E394	V236-Y238 HydrophobicContact CB-CE2 4.27Å; V236-Y238 HydrophobicContact CG1-CD2 4.13Å; V236-Y238 HydrophobicContact CG1-CE1 4.13Å; V236-Y238 HydrophobicContact CG1-CE2 3.59Å; Y238-R390 WeakPolarHBondContact CA-O 3.47Å; Y238-R390 HydrophobicContact CD1-CB 3.75Å; Y238-R390 HydrophobicContact CD1-CG 4.44Å; Y238-R390 HydrophobicContact CE1-CB 4.04Å; Y238-R390 HydrophobicContact CE1-CG 4.25Å; Y238-R390 PolarHBondContact OH-NH1 3.38Å; Y238-Y392 WeakPolarHBondContact CD1-O 2.95Å; Y238-E394 HydrophobicContact CD1-CB 3.95Å; Y238-E394 HydrophobicContact CD2-CB 4.17Å; Y238-E394 HydrophobicContact CE1-CB 3.82Å; Y238-E394 HydrophobicContact CE1-CG 4.1Å; Y238-E394 HydrophobicContact CE2-CB 4.04Å; Y238-E394 HydrophobicContact CE2-CG 4.04Å; Y238-E394 HydrophobicContact CG-CB 4.11Å
239	T	87.7	Confident	81.8	Confident	43 Å²	43	84.3 Å²	84.3	26%	0.264	44%	0.439	S	S	.	.			trans	-110.6	146.6	168.8	70.6	0	0	0	0	110.3	M241 R390 L391 Y392 P393	T239-M241 PolarHBondContact O-N 2.88Å; T239-M241 VanDerWaalsContact O-N 3.08Å; T239-R390 PolarHBondContact N-O 3.49Å; T239-R390 VanDerWaalsContact N-O 3.09Å; T239-L391 HydrophobicContact CG2-CD2 4.08Å; T239-L391 VanDerWaalsContact OG1-CA 3.31Å; T239-L391 WeakPolarHBondContact OG1-CA 3.33Å; T239-L391 PolarHBondContact OG1-O 2.94Å; T239-Y392 CarbonylContact O-C 3.58Å; T239-Y392 PolarHBondContact OG1-N 2.98Å; T239-P393 WeakPolarHBondContact O-CA 3.35Å; T239-P393 VanDerWaalsContact O-N 3.12Å
240	D	78.9	Confident	82.4	Confident	156 Å²	156	76.2 Å²	76.2	83%	0.834	40%	0.401	S	S	*	.			trans	-76.9	13.8	177.2	-67.4	-33.3	0	0	0	113.1
241	M	68.1	Low	83.3	Confident	84 Å²	84	74.4 Å²	74.4	41%	0.414	39%	0.392	S	S	.	.			trans	-87.9	127.5	-170.4	-68.9	-63.6	-149.3	0	0	111.6	T239 F249	T239-M241 PolarHBondContact O-N 2.88Å; T239-M241 VanDerWaalsContact O-N 3.08Å; M241-F249 HydrophobicContact CE-CE1 3.96Å; M241-F249 HydrophobicContact CE-CZ 3.91Å
242	N	64.4	Low	84.4	Confident	143 Å²	143	71.8 Å²	71.8	77%	0.765	38%	0.376	S	S	*	.			trans	-109.4	36.4	177.6	-133.7	15.6	0	0	0	111.5
243	N	58.8	Low	85.3	Confident	87 Å²	87	70.5 Å²	70.5	47%	0.465	36%	0.357	S	S	.	.			trans	-98.1	145.1	-156	-94.2	-22.2	0	0	0	115.6	D245 F249	N243-D245 PolarHBondContact O-N 3.31Å; N243-F249 HydrophobicContact CB-CE2 4.11Å
244	K	66.6	Low	85.8	Confident	194 Å²	194	68 Å²	68	84%	0.843	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-17	172.6	-66.5	-176.3	176.5	-176.7	0	114
245	D	84.3	Confident	86	Confident	92 Å²	92	71.9 Å²	71.9	49%	0.492	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	32.8	-174.3	-61.2	-40.8	0	0	0	113.4	N243 F247 Y248 F249	N243-D245 PolarHBondContact O-N 3.31Å; D245-F247 PolarHBondContact O-N 3.41Å; D245-Y248 PolarHBondContact O-N 3.15Å; D245-F249 HydrophobicContact CB-CD2 4.3Å; D245-F249 HydrophobicContact CB-CE2 4.15Å; D245-F249 VanDerWaalsContact O-CD2 3.23Å; D245-F249 WeakPolarHBondContact O-CD2 3.45Å; D245-F249 PolarHBondContact O-N 2.95Å
246	Y	89.9	Confident	85.9	Confident	34 Å²	34	72.2 Å²	72.2	13%	0.133	36%	0.358	C	S	.	.	H	α-helix	trans	-46.7	-35.9	179.1	65.1	-94.2	0	0	0	112.9	F249 A250 A271 D275 T348 V350 L367	Y246-F249 PolarHBondContact O-N 3.38Å; Y246-A250 WeakPolarHBondContact O-CB 3.32Å; Y246-A250 PolarHBondContact O-N 3.12Å; Y246-A271 HydrophobicContact CE2-CB 3.86Å; Y246-A271 VanDerWaalsContact OH-CB 3.25Å; Y246-A271 WeakPolarHBondContact OH-CB 3.21Å; Y246-D275 WeakPolarHBondContact CE2-OD2 3.05Å; Y246-D275 PolarHBondContact OH-OD2 3.09Å; Y246-T348 HydrophobicContact CD2-CG2 3.8Å; Y246-T348 HydrophobicContact CG-CG2 4.46Å; Y246-V350 HydrophobicContact CD1-CG2 3.83Å; Y246-V350 HydrophobicContact CD2-CG2 3.96Å; Y246-V350 HydrophobicContact CE1-CG2 3.97Å; Y246-V350 HydrophobicContact CE2-CG2 4.13Å; Y246-V350 HydrophobicContact CG-CG2 3.84Å; Y246-L367 HydrophobicContact CE1-CD1 4.48Å; Y246-L367 HydrophobicContact CE1-CD2 4.13Å
247	F	93.2	Very high	85.7	Confident	9 Å²	9	70.6 Å²	70.6	4%	0.039	35%	0.348	C	S	.	.	H	α-helix	trans	-59.7	-52.8	-177.8	179.8	-95.3	0	0	0	112.6	D245 A250 L251 L270 D275 R278 A279 I282	D245-F247 PolarHBondContact O-N 3.41Å; F247-A250 PolarHBondContact O-N 2.92Å; F247-L251 HydrophobicContact CD1-CD1 4.3Å; F247-L251 HydrophobicContact CE1-CD1 3.6Å; F247-L251 HydrophobicContact CZ-CD1 3.76Å; F247-L251 PolarHBondContact O-N 3.4Å; F247-L270 HydrophobicContact CD2-CD2 4.14Å; F247-L270 HydrophobicContact CE2-CD1 4.37Å; F247-D275 HydrophobicContact CD2-CB 3.87Å; F247-D275 HydrophobicContact CE2-CB 3.97Å; F247-D275 VanDerWaalsContact CE2-O 3.28Å; F247-D275 WeakPolarHBondContact CE2-O 3.42Å; F247-R278 HydrophobicContact CE1-CG 4.2Å; F247-R278 HydrophobicContact CE2-CB 4.31Å; F247-R278 HydrophobicContact CZ-CB 3.89Å; F247-R278 HydrophobicContact CZ-CG 3.75Å; F247-A279 HydrophobicContact CE2-CB 3.9Å; F247-A279 HydrophobicContact CZ-CB 4.05Å; F247-I282 HydrophobicContact CE1-CD1 3.92Å; F247-I282 HydrophobicContact CZ-CD1 4.12Å
248	Y	92.1	Very high	85.2	Confident	141 Å²	141	68.4 Å²	68.4	55%	0.553	33%	0.334	S	S	*	.	H	α-helix	trans	-72.4	-33.2	-177.6	-68.7	-69.6	0	0	0	111.8	D245 L251 A252	D245-Y248 PolarHBondContact O-N 3.15Å; Y248-L251 PolarHBondContact O-N 3.01Å; Y248-A252 WeakPolarHBondContact O-CB 3.21Å; Y248-A252 PolarHBondContact O-N 2.68Å
249	F	91.6	Very high	84.9	Confident	76 Å²	76	70.1 Å²	70.1	33%	0.333	35%	0.348	S	S	.	.	H	α-helix	trans	-64	-41.2	173.7	-75.8	-66.5	0	0	0	112.3	M241 N243 D245 Y246 L251 A252 L253 L391	M241-F249 HydrophobicContact CE-CE1 3.96Å; M241-F249 HydrophobicContact CE-CZ 3.91Å; N243-F249 HydrophobicContact CB-CE2 4.11Å; D245-F249 HydrophobicContact CB-CD2 4.3Å; D245-F249 HydrophobicContact CB-CE2 4.15Å; D245-F249 VanDerWaalsContact O-CD2 3.23Å; D245-F249 WeakPolarHBondContact O-CD2 3.45Å; D245-F249 PolarHBondContact O-N 2.95Å; Y246-F249 PolarHBondContact O-N 3.38Å; F249-L251 VanDerWaalsContact C-N 3.32Å; F249-L251 PolarHBondContact O-N 2.67Å; F249-A252 PolarHBondContact O-N 3.49Å; F249-L253 WeakPolarHBondContact O-CB 3.44Å; F249-L253 PolarHBondContact O-N 3.3Å; F249-L391 HydrophobicContact CB-CD1 4.38Å
250	A	94.5	Very high	84.8	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.5	-42.2	175.8	0	0	0	0	0	112	Y246 F247 L254 V268 L270 I346 T348 L391	Y246-A250 WeakPolarHBondContact O-CB 3.32Å; Y246-A250 PolarHBondContact O-N 3.12Å; F247-A250 PolarHBondContact O-N 2.92Å; A250-L254 WeakPolarHBondContact O-CB 3.39Å; A250-L254 PolarHBondContact O-N 3.47Å; A250-V268 HydrophobicContact CB-CG1 4.05Å; A250-L270 HydrophobicContact CB-CD2 4.35Å; A250-I346 HydrophobicContact CB-CG2 4.01Å; A250-T348 HydrophobicContact CB-CG2 3.93Å; A250-L391 HydrophobicContact CB-CD1 3.86Å
251	L	93	Very high	84.9	Confident	13 Å²	13	70.6 Å²	70.6	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-68.8	-40.3	176.9	-65.2	-177.5	0	0	0	112.8	F247 Y248 F249 L254 Q255 A279 I282 I283	F247-L251 HydrophobicContact CD1-CD1 4.3Å; F247-L251 HydrophobicContact CE1-CD1 3.6Å; F247-L251 HydrophobicContact CZ-CD1 3.76Å; F247-L251 PolarHBondContact O-N 3.4Å; Y248-L251 PolarHBondContact O-N 3.01Å; F249-L251 VanDerWaalsContact C-N 3.32Å; F249-L251 PolarHBondContact O-N 2.67Å; L251-L254 WeakPolarHBondContact O-CB 3.43Å; L251-L254 PolarHBondContact O-N 3.1Å; L251-Q255 WeakPolarHBondContact O-CG 3.41Å; L251-Q255 PolarHBondContact O-N 3.37Å; L251-A279 HydrophobicContact CD2-CB 3.94Å; L251-I282 HydrophobicContact CD1-CB 4.42Å; L251-I282 HydrophobicContact CD1-CD1 3.87Å; L251-I282 HydrophobicContact CD1-CG2 4.18Å; L251-I283 HydrophobicContact CD2-CD1 4.05Å; L251-I283 HydrophobicContact CD2-CG1 4.19Å
252	A	92.3	Very high	85.6	Confident	41 Å²	41	70.7 Å²	70.7	34%	0.339	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-46.1	175.4	0	0	0	0	0	111.4	Y248 F249 L254 Q255 E256	Y248-A252 WeakPolarHBondContact O-CB 3.21Å; Y248-A252 PolarHBondContact O-N 2.68Å; F249-A252 PolarHBondContact O-N 3.49Å; A252-L254 VanDerWaalsContact C-N 3.31Å; A252-L254 PolarHBondContact O-N 3.48Å; A252-Q255 WeakPolarHBondContact O-CB 3.17Å; A252-Q255 PolarHBondContact O-N 3.36Å; A252-Q255 VanDerWaalsContact O-N 3.14Å; A252-E256 PolarHBondContact O-N 2.9Å
253	L	93.6	Very high	86.4	Confident	25 Å²	25	71.4 Å²	71.4	13%	0.131	35%	0.347	C	S	.	.	H	α-helix	trans	-63.8	-37.6	176.5	179.1	62	0	0	0	111.9	F249 Q255 E256 I257 I346 F389 L391	F249-L253 WeakPolarHBondContact O-CB 3.44Å; F249-L253 PolarHBondContact O-N 3.3Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 3.33Å; L253-E256 PolarHBondContact O-N 2.89Å; L253-I257 HydrophobicContact CD1-CD1 4.3Å; L253-I257 HydrophobicContact CD1-CG1 4.26Å; L253-I257 HydrophobicContact CG-CD1 3.97Å; L253-I257 HydrophobicContact CG-CG1 4.39Å; L253-I257 WeakPolarHBondContact O-CG1 3.32Å; L253-I257 PolarHBondContact O-N 3.37Å; L253-I346 HydrophobicContact CB-CD1 4.31Å; L253-I346 HydrophobicContact CD2-CD1 4.18Å; L253-I346 HydrophobicContact CD2-CG1 4.11Å; L253-I346 HydrophobicContact CD2-CG2 4.16Å; L253-I346 HydrophobicContact CG-CD1 4.08Å; L253-I346 HydrophobicContact CG-CG1 4.49Å; L253-F389 HydrophobicContact CD1-CD1 4.45Å; L253-F389 HydrophobicContact CD2-CB 3.52Å; L253-F389 HydrophobicContact CD2-CD1 4.12Å; L253-F389 HydrophobicContact CD2-CD2 4.25Å; L253-F389 HydrophobicContact CD2-CG 3.73Å; L253-L391 HydrophobicContact CD2-CD2 3.76Å
254	L	92.8	Very high	87.6	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-58.4	-43.8	173.3	174.1	65.9	0	0	0	111.5	A250 L251 A252 I257 H258 V266 V268 I283 V325 I346	A250-L254 WeakPolarHBondContact O-CB 3.39Å; A250-L254 PolarHBondContact O-N 3.47Å; L251-L254 WeakPolarHBondContact O-CB 3.43Å; L251-L254 PolarHBondContact O-N 3.1Å; A252-L254 VanDerWaalsContact C-N 3.31Å; A252-L254 PolarHBondContact O-N 3.48Å; L254-I257 PolarHBondContact O-N 2.83Å; L254-H258 WeakPolarHBondContact O-CB 3.21Å; L254-H258 PolarHBondContact O-N 3.1Å; L254-V266 HydrophobicContact CD1-CB 4.07Å; L254-V266 HydrophobicContact CD1-CG1 3.83Å; L254-V266 HydrophobicContact CD1-CG2 4.1Å; L254-V268 HydrophobicContact CD1-CG2 4.47Å; L254-I283 HydrophobicContact CD2-CD1 3.59Å; L254-I283 HydrophobicContact CD2-CG1 4.1Å; L254-V325 HydrophobicContact CD1-CB 4.49Å; L254-V325 HydrophobicContact CD1-CG1 3.89Å; L254-V325 HydrophobicContact CD1-CG2 3.73Å; L254-V325 HydrophobicContact CD2-CG1 3.77Å; L254-V325 HydrophobicContact CD2-CG2 4.31Å; L254-I346 HydrophobicContact CB-CD1 3.95Å
255	Q	89.2	Confident	88.6	Confident	88 Å²	88	59.7 Å²	59.7	41%	0.411	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-43.2	175	-69.5	176.1	-9.7	0	0	111.4	L251 A252 L253 H258 L259 E286	L251-Q255 WeakPolarHBondContact O-CG 3.41Å; L251-Q255 PolarHBondContact O-N 3.37Å; A252-Q255 WeakPolarHBondContact O-CB 3.17Å; A252-Q255 PolarHBondContact O-N 3.36Å; A252-Q255 VanDerWaalsContact O-N 3.14Å; L253-Q255 VanDerWaalsContact C-N 3.3Å; L253-Q255 PolarHBondContact O-N 3.33Å; Q255-H258 WeakPolarHBondContact O-CB 3.41Å; Q255-H258 PolarHBondContact O-N 3.26Å; Q255-L259 VanDerWaalsContact O-CG 3.3Å; Q255-L259 WeakPolarHBondContact O-CG 3.49Å; Q255-L259 PolarHBondContact O-N 3.37Å; Q255-E286 PolarHBondContact NE2-OE2 3.48Å
256	E	90.8	Very high	88.9	Confident	124 Å²	124	55.3 Å²	55.3	58%	0.579	27%	0.273	S	S	*	.	H	α-helix	trans	-59.9	-48.4	175.9	-71.1	-178.8	-175	0	0	112.1	A252 L253 H258 L259 T260	A252-E256 PolarHBondContact O-N 2.9Å; L253-E256 PolarHBondContact O-N 2.89Å; E256-H258 VanDerWaalsContact C-N 3.27Å; E256-H258 PolarHBondContact O-N 3.04Å; E256-L259 PolarHBondContact O-N 2.93Å; E256-L259 VanDerWaalsContact O-N 3.13Å; E256-T260 WeakPolarHBondContact O-CG2 3.08Å; E256-T260 PolarHBondContact O-N 3.07Å
257	I	90.3	Very high	89	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-57.9	-42.7	175.5	-69.7	167.1	0	0	0	110.2	L253 L254 L259 T260 V266 F344 I346 F389	L253-I257 HydrophobicContact CD1-CD1 4.3Å; L253-I257 HydrophobicContact CD1-CG1 4.26Å; L253-I257 HydrophobicContact CG-CD1 3.97Å; L253-I257 HydrophobicContact CG-CG1 4.39Å; L253-I257 WeakPolarHBondContact O-CG1 3.32Å; L253-I257 PolarHBondContact O-N 3.37Å; L254-I257 PolarHBondContact O-N 2.83Å; I257-L259 VanDerWaalsContact C-N 3.34Å; I257-L259 PolarHBondContact O-N 3.03Å; I257-T260 PolarHBondContact O-N 3.02Å; I257-T260 PolarHBondContact O-OG1 2.85Å; I257-V266 HydrophobicContact CG2-CG2 4.14Å; I257-F344 HydrophobicContact CD1-CB 4.35Å; I257-F344 HydrophobicContact CG2-CB 4.36Å; I257-F344 HydrophobicContact CG2-CD1 4.08Å; I257-F344 HydrophobicContact CG2-CD2 3.85Å; I257-F344 HydrophobicContact CG2-CE1 4.36Å; I257-F344 HydrophobicContact CG2-CE2 4.16Å; I257-F344 HydrophobicContact CG2-CG 3.8Å; I257-F344 HydrophobicContact CG2-CZ 4.4Å; I257-I346 HydrophobicContact CD1-CD1 3.89Å; I257-I346 HydrophobicContact CD1-CG1 4.01Å; I257-F389 HydrophobicContact CD1-CD2 3.74Å; I257-F389 HydrophobicContact CD1-CE2 3.47Å; I257-F389 VanDerWaalsContact CD1-CE2 3.47Å; I257-F389 HydrophobicContact CD1-CZ 4.27Å; I257-F389 HydrophobicContact CG1-CE2 3.97Å; I257-F389 HydrophobicContact CG1-CZ 4.34Å
258	H	85.3	Confident	89.1	Confident	5 Å²	5	53.3 Å²	53.3	2%	0.023	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-40.9	177.5	-176.5	62.2	0	0	0	112.5	L254 Q255 E256 T260 K261 D295 I297	L254-H258 WeakPolarHBondContact O-CB 3.21Å; L254-H258 PolarHBondContact O-N 3.1Å; Q255-H258 WeakPolarHBondContact O-CB 3.41Å; Q255-H258 PolarHBondContact O-N 3.26Å; E256-H258 VanDerWaalsContact C-N 3.27Å; E256-H258 PolarHBondContact O-N 3.04Å; H258-T260 VanDerWaalsContact C-N 3.27Å; H258-T260 PolarHBondContact O-N 3.16Å; H258-K261 PolarHBondContact O-N 3.19Å; H258-D295 PolarHBondContact CE1-O 3.27Å; H258-D295 PolarHBondContact NE2-O 3.02Å; H258-I297 HydrophobicContact CB-CD1 3.99Å; H258-I297 WeakPolarHBondContact CE1-CG1 3.25Å; H258-I297 VanDerWaalsContact CG-CD1 3.47Å; H258-I297 WeakPolarHBondContact ND1-CG1 3.29Å
259	L	86.3	Confident	89.2	Confident	107 Å²	107	46.6 Å²	46.6	56%	0.56	24%	0.239	S	C	*	.	H	α-helix	trans	-66.8	-22.9	178.9	-69.9	170.7	0	0	0	113.8	Q255 E256 I257 K261 L294	Q255-L259 VanDerWaalsContact O-CG 3.3Å; Q255-L259 WeakPolarHBondContact O-CG 3.49Å; Q255-L259 PolarHBondContact O-N 3.37Å; E256-L259 PolarHBondContact O-N 2.93Å; E256-L259 VanDerWaalsContact O-N 3.13Å; I257-L259 VanDerWaalsContact C-N 3.34Å; I257-L259 PolarHBondContact O-N 3.03Å; L259-K261 PolarHBondContact O-N 2.74Å; L259-L294 HydrophobicContact CD2-CD1 4.21Å
260	T	85.3	Confident	89.4	Confident	75 Å²	75	43 Å²	43	46%	0.46	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-20.8	175.3	69.4	0	0	0	0	113.6	E256 I257 H258 E262	E256-T260 WeakPolarHBondContact O-CG2 3.08Å; E256-T260 PolarHBondContact O-N 3.07Å; I257-T260 PolarHBondContact O-N 3.02Å; I257-T260 PolarHBondContact O-OG1 2.85Å; H258-T260 VanDerWaalsContact C-N 3.27Å; H258-T260 PolarHBondContact O-N 3.16Å; T260-E262 PolarHBondContact O-N 2.96Å; T260-E262 PolarHBondContact OG1-N 3.05Å
261	K	79.9	Confident	89.3	Confident	135 Å²	135	43 Å²	43	59%	0.587	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	17.1	-173	-50.2	-173.6	-177.4	-162.9	0	114.4	H258 L259 L294	H258-K261 PolarHBondContact O-N 3.19Å; L259-K261 PolarHBondContact O-N 2.74Å; K261-L294 HydrophobicContact CD-CD2 4.43Å; K261-L294 HydrophobicContact CG-CD2 4.21Å
262	E	83.1	Confident	89.2	Confident	86 Å²	86	42.9 Å²	42.9	40%	0.402	22%	0.223	S	C	.	.			trans	-65.8	137.8	171.4	-69.3	-177.5	-173.3	0	0	110	T260 K323 F344 K387	T260-E262 PolarHBondContact O-N 2.96Å; T260-E262 PolarHBondContact OG1-N 3.05Å; E262-K323 PolarHBondContact O-NZ 2.79Å; E262-F344 HydrophobicContact CB-CE2 4.27Å; E262-F344 HydrophobicContact CB-CZ 3.68Å; E262-F344 WeakPolarHBondContact OE2-CE1 2.95Å; E262-F344 WeakPolarHBondContact OE2-CZ 3.17Å; E262-K387 IonicContact OE1-NZ 2.82Å; E262-K387 IonicContact OE2-NZ 3.28Å
263	I	81.8	Confident	88.9	Confident	157 Å²	157	43.8 Å²	43.8	81%	0.805	22%	0.22	S	C	*	.	S	Bend	trans	-72	143.2	-179.5	-60.6	169.9	0	0	0	109.6
264	G	83.1	Confident	88.5	Confident	13 Å²	13	47.9 Å²	47.9	13%	0.134	24%	0.239	C	C	.	.	S	Bend	trans	127.8	151.8	172.5	0	0	0	0	0	113.5	K323 N343	G264-K323 PolarHBondContact O-NZ 2.93Å; G264-N343 VanDerWaalsContact CA-OD1 3.27Å; G264-N343 WeakPolarHBondContact CA-OD1 3.36Å
265	N	87.8	Confident	88.5	Confident	23 Å²	23	48.2 Å²	48.2	12%	0.123	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	160	179.7	-59.6	-44.3	0	0	0	111.4	R324 F326 S341 V342 N343 F344	N265-R324 WeakPolarHBondContact CA-O 3.47Å; N265-R324 HydrophobicContact CB-CB 4.42Å; N265-R324 WeakPolarHBondContact OD1-CB 3.2Å; N265-R324 PolarHBondContact OD1-N 3.13Å; N265-F326 HydrophobicContact CB-CD2 4.41Å; N265-F326 HydrophobicContact CB-CE2 3.84Å; N265-S341 WeakPolarHBondContact CB-O 3.3Å; N265-S341 PolarHBondContact N-O 3.29Å; N265-S341 VanDerWaalsContact N-O 3.09Å; N265-S341 PolarHBondContact ND2-O 3.26Å; N265-S341 VanDerWaalsContact ND2-O 3.13Å; N265-V342 HydrophobicContact CB-CG2 4.25Å; N265-N343 PolarHBondContact O-N 2.87Å; N265-N343 VanDerWaalsContact O-N 3.1Å; N265-F344 PolarHBondContact O-N 3.15Å
266	V	90.8	Very high	88.5	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.3	-179.2	-170.7	0	0	0	0	109.8	L254 I257 V268 K323 R324 V325 F326 F344 I346	L254-V266 HydrophobicContact CD1-CB 4.07Å; L254-V266 HydrophobicContact CD1-CG1 3.83Å; L254-V266 HydrophobicContact CD1-CG2 4.1Å; I257-V266 HydrophobicContact CG2-CG2 4.14Å; V266-V268 HydrophobicContact CG1-CG2 4.07Å; V266-K323 HydrophobicContact CG2-CD 4.01Å; V266-K323 HydrophobicContact CG2-CG 4.34Å; V266-R324 PolarHBondContact N-O 3.23Å; V266-V325 HydrophobicContact CB-CG2 4.44Å; V266-V325 CarbonylContact O-C 3.51Å; V266-V325 WeakPolarHBondContact O-CA 3.5Å; V266-F326 PolarHBondContact O-N 2.84Å; V266-F344 CarbonylContact C-O 3.44Å; V266-F344 VanDerWaalsContact CA-O 3.32Å; V266-F344 WeakPolarHBondContact CA-O 3.3Å; V266-F344 HydrophobicContact CB-CB 4.37Å; V266-F344 HydrophobicContact CG1-CB 4.07Å; V266-F344 HydrophobicContact CG2-CB 4.07Å; V266-F344 HydrophobicContact CG2-CD2 4.13Å; V266-F344 HydrophobicContact CG2-CG 4.48Å; V266-I346 HydrophobicContact CG1-CD1 4.21Å; V266-I346 HydrophobicContact CG1-CG1 4.24Å
267	I	92.9	Very high	88.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.3	164.1	-66.8	175.5	0	0	0	108.5	F269 F326 L328 A338 V342 F344 V345 I346 L381	I267-F269 HydrophobicContact CG2-CD2 3.81Å; I267-F269 HydrophobicContact CG2-CE2 3.41Å; I267-F269 VanDerWaalsContact CG2-CE2 3.41Å; I267-F269 HydrophobicContact CG2-CZ 3.87Å; I267-F326 CarbonylContact C-O 3.57Å; I267-F326 WeakPolarHBondContact CA-O 3.46Å; I267-F326 HydrophobicContact CG1-CB 4.05Å; I267-F326 HydrophobicContact CG1-CD2 4.15Å; I267-L328 HydrophobicContact CD1-CD1 4.47Å; I267-L328 HydrophobicContact CG2-CD1 3.52Å; I267-L328 HydrophobicContact CG2-CG 4.1Å; I267-A338 HydrophobicContact CD1-CB 4.03Å; I267-V342 HydrophobicContact CB-CG1 4.47Å; I267-V342 HydrophobicContact CD1-CB 4.44Å; I267-V342 HydrophobicContact CD1-CG1 3.9Å; I267-V342 HydrophobicContact CD1-CG2 3.98Å; I267-V342 HydrophobicContact CG1-CG1 3.85Å; I267-V342 HydrophobicContact CG1-CG2 4.1Å; I267-F344 PolarHBondContact N-O 3.03Å; I267-V345 HydrophobicContact CB-CG2 4.32Å; I267-V345 CarbonylContact O-C 3.07Å; I267-V345 WeakPolarHBondContact O-CA 3.37Å; I267-I346 PolarHBondContact O-N 2.96Å; I267-L381 HydrophobicContact CD1-CB 4.07Å; I267-L381 HydrophobicContact CD1-CD1 4.14Å
268	V	94.6	Very high	88.2	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	116.7	173.6	-171.2	0	0	0	0	109.1	A250 L254 V266 L270 V325 F326 L327 L328 I346	A250-V268 HydrophobicContact CB-CG1 4.05Å; L254-V268 HydrophobicContact CD1-CG2 4.47Å; V266-V268 HydrophobicContact CG1-CG2 4.07Å; V268-L270 HydrophobicContact CG1-CD2 4.07Å; V268-L270 HydrophobicContact CG1-CG 4.18Å; V268-V325 HydrophobicContact CG2-CG1 3.99Å; V268-F326 PolarHBondContact N-O 3.44Å; V268-L327 HydrophobicContact CB-CD2 3.91Å; V268-L327 HydrophobicContact CG2-CD2 4.19Å; V268-L328 PolarHBondContact O-N 3.48Å; V268-I346 HydrophobicContact CB-CB 4.49Å; V268-I346 HydrophobicContact CG1-CB 4.19Å; V268-I346 HydrophobicContact CG1-CG2 4.31Å; V268-I346 HydrophobicContact CG2-CB 4.29Å; V268-I346 HydrophobicContact CG2-CD1 4.04Å; V268-I346 HydrophobicContact CG2-CG1 4.44Å
269	F	94.8	Very high	88.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.5	174	-74.7	-79.4	0	0	0	110.6	I267 L328 E333 V345 I346 T348 R378 L381	I267-F269 HydrophobicContact CG2-CD2 3.81Å; I267-F269 HydrophobicContact CG2-CE2 3.41Å; I267-F269 VanDerWaalsContact CG2-CE2 3.41Å; I267-F269 HydrophobicContact CG2-CZ 3.87Å; F269-L328 WeakPolarHBondContact CA-O 3.37Å; F269-L328 HydrophobicContact CD1-CB 3.83Å; F269-L328 HydrophobicContact CE1-CB 3.71Å; F269-L328 HydrophobicContact CE1-CD1 3.87Å; F269-L328 HydrophobicContact CE1-CG 4.41Å; F269-L328 HydrophobicContact CZ-CB 4.45Å; F269-L328 HydrophobicContact CZ-CD1 3.82Å; F269-E333 HydrophobicContact CD1-CG 4.4Å; F269-E333 HydrophobicContact CE1-CG 3.77Å; F269-E333 HydrophobicContact CZ-CG 4.38Å; F269-V345 HydrophobicContact CD2-CG1 4.1Å; F269-V345 HydrophobicContact CE2-CG1 4.13Å; F269-I346 PolarHBondContact N-O 2.73Å; F269-T348 WeakPolarHBondContact O-CB 2.97Å; F269-T348 WeakPolarHBondContact O-CG2 3.24Å; F269-T348 PolarHBondContact O-OG1 3.32Å; F269-R378 HydrophobicContact CD1-CG 4.29Å; F269-R378 HydrophobicContact CD2-CB 4.06Å; F269-R378 HydrophobicContact CD2-CG 3.78Å; F269-R378 HydrophobicContact CE1-CG 4.12Å; F269-R378 HydrophobicContact CE2-CB 3.75Å; F269-R378 HydrophobicContact CE2-CG 3.57Å; F269-R378 HydrophobicContact CG-CG 4.13Å; F269-R378 HydrophobicContact CZ-CB 4.33Å; F269-R378 HydrophobicContact CZ-CG 3.76Å; F269-L381 HydrophobicContact CE2-CD1 3.89Å; F269-L381 HydrophobicContact CZ-CD1 3.49Å; F269-L381 VanDerWaalsContact CZ-CD1 3.49Å
270	L	94.4	Very high	88.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.226	C	C	.	.			trans	-113.7	161.7	178.8	-62.9	171.7	0	0	0	110.5	F247 A250 V268 S272 D275 V276 A279 L328 T348	F247-L270 HydrophobicContact CD2-CD2 4.14Å; F247-L270 HydrophobicContact CE2-CD1 4.37Å; A250-L270 HydrophobicContact CB-CD2 4.35Å; V268-L270 HydrophobicContact CG1-CD2 4.07Å; V268-L270 HydrophobicContact CG1-CG 4.18Å; L270-S272 PolarHBondContact O-N 3.5Å; L270-D275 HydrophobicContact CB-CB 3.98Å; L270-D275 HydrophobicContact CD1-CB 4.32Å; L270-V276 HydrophobicContact CB-CG2 4.09Å; L270-V276 HydrophobicContact CD1-CG2 4.03Å; L270-A279 HydrophobicContact CD1-CB 3.61Å; L270-L328 PolarHBondContact N-O 3.46Å; L270-T348 HydrophobicContact CD2-CG2 4.24Å
271	A	92.8	Very high	88.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-70.9	-34.6	-171.4	0	0	0	0	0	113.4	Y246 V350 K352 L367	Y246-A271 HydrophobicContact CE2-CB 3.86Å; Y246-A271 VanDerWaalsContact OH-CB 3.25Å; Y246-A271 WeakPolarHBondContact OH-CB 3.21Å; A271-V350 HydrophobicContact CB-CG2 4.01Å; A271-K352 HydrophobicContact CB-CB 4.39Å; A271-K352 VanDerWaalsContact O-CB 3.25Å; A271-K352 WeakPolarHBondContact O-CB 3.47Å; A271-K352 PolarHBondContact O-N 3.2Å; A271-L367 HydrophobicContact CB-CD1 3.59Å
272	S	90.8	Very high	89	Confident	10 Å²	10	41.2 Å²	41.2	7%	0.07	21%	0.208	C	C	.	.	S	Bend	trans	-143.9	163.3	-172.3	74.2	0	0	0	0	112.8	L270 E274 D275 V276	L270-S272 PolarHBondContact O-N 3.5Å; S272-E274 PolarHBondContact O-N 2.96Å; S272-E274 PolarHBondContact OG-N 3.43Å; S272-D275 WeakPolarHBondContact O-CB 3.29Å; S272-D275 PolarHBondContact O-N 2.7Å; S272-D275 PolarHBondContact OG-N 3.22Å; S272-D275 VanDerWaalsContact OG-N 3.14Å; S272-V276 PolarHBondContact O-N 3.47Å; S272-V276 VanDerWaalsContact O-N 3.08Å
273	E	86.6	Confident	89.2	Confident	61 Å²	61	37.6 Å²	37.6	29%	0.285	19%	0.191	S	C	.	.	H	α-helix	trans	-64.1	-30.5	173.9	-65.4	174.5	-154.9	0	0	111.8	V276 C277 T329 K331	E273-V276 PolarHBondContact O-N 3.41Å; E273-C277 PolarHBondContact O-N 2.83Å; E273-C277 PolarHBondContact O-SG 3.22Å; E273-C277 VanDerWaalsContact O-SG 3.4Å; E273-T329 HydrophobicContact CG-CG2 4.12Å; E273-K331 IonicContact OE1-NZ 2.78Å; E273-K331 PolarHBondContact OE1-NZ 3.29Å; E273-K331 VanDerWaalsContact OE1-NZ 3.13Å
274	E	86.3	Confident	89.2	Confident	111 Å²	111	34.4 Å²	34.4	52%	0.519	17%	0.172	S	C	.	.	H	α-helix	trans	-63.8	-41.5	173.9	-62.3	-177.4	157.3	0	0	111.8	S272 R278	S272-E274 PolarHBondContact O-N 2.96Å; S272-E274 PolarHBondContact OG-N 3.43Å; E274-R278 WeakPolarHBondContact O-CB 3.38Å; E274-R278 PolarHBondContact O-N 2.99Å
275	D	91.3	Very high	89.2	Confident	11 Å²	11	36.8 Å²	36.8	6%	0.059	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-44.2	174.5	-72.6	-17	0	0	0	110.2	Y246 F247 L270 S272 C277 R278 A279	Y246-D275 WeakPolarHBondContact CE2-OD2 3.05Å; Y246-D275 PolarHBondContact OH-OD2 3.09Å; F247-D275 HydrophobicContact CD2-CB 3.87Å; F247-D275 HydrophobicContact CE2-CB 3.97Å; F247-D275 VanDerWaalsContact CE2-O 3.28Å; F247-D275 WeakPolarHBondContact CE2-O 3.42Å; L270-D275 HydrophobicContact CB-CB 3.98Å; L270-D275 HydrophobicContact CD1-CB 4.32Å; S272-D275 WeakPolarHBondContact O-CB 3.29Å; S272-D275 PolarHBondContact O-N 2.7Å; S272-D275 PolarHBondContact OG-N 3.22Å; S272-D275 VanDerWaalsContact OG-N 3.14Å; D275-C277 PolarHBondContact O-N 3.11Å; D275-R278 PolarHBondContact O-N 2.89Å; D275-A279 WeakPolarHBondContact O-CB 3.41Å; D275-A279 PolarHBondContact O-N 2.73Å
276	V	90.1	Very high	88.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.9	-49.3	176.4	170.1	0	0	0	0	111.7	L270 S272 E273 R278 A279 W280 V301 L327 T329	L270-V276 HydrophobicContact CB-CG2 4.09Å; L270-V276 HydrophobicContact CD1-CG2 4.03Å; S272-V276 PolarHBondContact O-N 3.47Å; S272-V276 VanDerWaalsContact O-N 3.08Å; E273-V276 PolarHBondContact O-N 3.41Å; V276-R278 VanDerWaalsContact C-N 3.31Å; V276-R278 PolarHBondContact O-N 3.36Å; V276-A279 PolarHBondContact O-N 2.86Å; V276-W280 WeakPolarHBondContact O-CB 3.46Å; V276-W280 PolarHBondContact O-N 3.15Å; V276-V301 HydrophobicContact CG1-CB 4.25Å; V276-V301 HydrophobicContact CG1-CG1 3.6Å; V276-V301 HydrophobicContact CG1-CG2 3.78Å; V276-L327 HydrophobicContact CG1-CB 3.76Å; V276-L327 HydrophobicContact CG2-CB 4.45Å; V276-T329 HydrophobicContact CG2-CG2 3.77Å
277	C	86.6	Confident	87.4	Confident	70 Å²	70	40.3 Å²	40.3	47%	0.473	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-39.8	177.3	-73.2	0	0	0	0	112.3	E273 D275 S281	E273-C277 PolarHBondContact O-N 2.83Å; E273-C277 PolarHBondContact O-SG 3.22Å; E273-C277 VanDerWaalsContact O-SG 3.4Å; D275-C277 PolarHBondContact O-N 3.11Å; C277-S281 PolarHBondContact O-N 2.86Å; C277-S281 VanDerWaalsContact O-N 3.07Å; C277-S281 PolarHBondContact O-OG 2.94Å
278	R	88.4	Confident	85.8	Confident	118 Å²	118	45.5 Å²	45.5	45%	0.445	24%	0.239	S	C	.	.	H	α-helix	trans	-66.5	-45.8	177.2	-170	-176.2	-59.5	162.3	7.1	111.5	F247 E274 D275 V276 S281 I282	F247-R278 HydrophobicContact CE1-CG 4.2Å; F247-R278 HydrophobicContact CE2-CB 4.31Å; F247-R278 HydrophobicContact CZ-CB 3.89Å; F247-R278 HydrophobicContact CZ-CG 3.75Å; E274-R278 WeakPolarHBondContact O-CB 3.38Å; E274-R278 PolarHBondContact O-N 2.99Å; D275-R278 PolarHBondContact O-N 2.89Å; V276-R278 VanDerWaalsContact C-N 3.31Å; V276-R278 PolarHBondContact O-N 3.36Å; R278-S281 PolarHBondContact O-N 3.3Å; R278-I282 HydrophobicContact CG-CD1 4.06Å; R278-I282 WeakPolarHBondContact O-CG1 3.5Å; R278-I282 PolarHBondContact O-N 2.62Å
279	A	90.6	Very high	83.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-46.2	176.9	0	0	0	0	0	111.1	F247 L251 L270 D275 V276 S281 I282 I283 L327	F247-A279 HydrophobicContact CE2-CB 3.9Å; F247-A279 HydrophobicContact CZ-CB 4.05Å; L251-A279 HydrophobicContact CD2-CB 3.94Å; L270-A279 HydrophobicContact CD1-CB 3.61Å; D275-A279 WeakPolarHBondContact O-CB 3.41Å; D275-A279 PolarHBondContact O-N 2.73Å; V276-A279 PolarHBondContact O-N 2.86Å; A279-S281 VanDerWaalsContact C-N 3.34Å; A279-S281 PolarHBondContact O-N 2.68Å; A279-I282 PolarHBondContact O-N 2.92Å; A279-I283 WeakPolarHBondContact O-CB 3.28Å; A279-I283 WeakPolarHBondContact O-CD1 3.18Å; A279-I283 VanDerWaalsContact O-CG1 3.23Å; A279-I283 WeakPolarHBondContact O-CG1 3.48Å; A279-I283 PolarHBondContact O-N 3.14Å; A279-L327 HydrophobicContact CB-CD1 3.94Å; A279-L327 HydrophobicContact CB-CD2 4.35Å
280	W	89	Confident	82	Confident	98 Å²	98	58.8 Å²	58.8	37%	0.371	29%	0.294	S	S	.	.	H	α-helix	trans	-55.9	-48.9	175.7	-177.3	84.2	0	0	0	111.8	V276 I282 I283 Q284 P299 V301 L327	V276-W280 WeakPolarHBondContact O-CB 3.46Å; V276-W280 PolarHBondContact O-N 3.15Å; W280-I282 VanDerWaalsContact C-N 3.35Å; W280-I282 PolarHBondContact O-N 3Å; W280-I283 PolarHBondContact O-N 3Å; W280-Q284 HydrophobicContact CH2-CG 4.34Å; W280-Q284 HydrophobicContact CZ2-CG 4.37Å; W280-Q284 VanDerWaalsContact O-CB 3.25Å; W280-Q284 WeakPolarHBondContact O-CB 3.5Å; W280-Q284 PolarHBondContact O-N 2.69Å; W280-P299 PolarHBondContact NE1-O 3.41Å; W280-V301 HydrophobicContact CB-CG2 3.65Å; W280-V301 VanDerWaalsContact CD1-CG2 3.44Å; W280-V301 HydrophobicContact CG-CG2 3.66Å; W280-L327 HydrophobicContact CB-CD1 3.84Å
281	S	85.8	Confident	80.2	Confident	65 Å²	65	66.7 Å²	66.7	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-42.3	-179.9	-57.1	0	0	0	0	112.3	C277 R278 A279 S285	C277-S281 PolarHBondContact O-N 2.86Å; C277-S281 VanDerWaalsContact O-N 3.07Å; C277-S281 PolarHBondContact O-OG 2.94Å; R278-S281 PolarHBondContact O-N 3.3Å; A279-S281 VanDerWaalsContact C-N 3.34Å; A279-S281 PolarHBondContact O-N 2.68Å; S281-S285 WeakPolarHBondContact O-CB 3.48Å; S281-S285 PolarHBondContact O-N 3.4Å; S281-S285 VanDerWaalsContact O-N 3.16Å; S281-S285 PolarHBondContact O-OG 2.94Å
282	I	87.9	Confident	78.3	Confident	42 Å²	42	76.6 Å²	76.6	22%	0.215	38%	0.377	C	S	.	.	H	α-helix	trans	-65.2	-53.2	178.2	-68.5	167	0	0	0	110	F247 L251 R278 A279 W280 Q284 S285 E286	F247-I282 HydrophobicContact CE1-CD1 3.92Å; F247-I282 HydrophobicContact CZ-CD1 4.12Å; L251-I282 HydrophobicContact CD1-CB 4.42Å; L251-I282 HydrophobicContact CD1-CD1 3.87Å; L251-I282 HydrophobicContact CD1-CG2 4.18Å; R278-I282 HydrophobicContact CG-CD1 4.06Å; R278-I282 WeakPolarHBondContact O-CG1 3.5Å; R278-I282 PolarHBondContact O-N 2.62Å; A279-I282 PolarHBondContact O-N 2.92Å; W280-I282 VanDerWaalsContact C-N 3.35Å; W280-I282 PolarHBondContact O-N 3Å; I282-Q284 VanDerWaalsContact C-N 3.32Å; I282-Q284 PolarHBondContact O-N 2.93Å; I282-S285 PolarHBondContact O-N 2.88Å; I282-S285 PolarHBondContact O-OG 2.98Å; I282-E286 HydrophobicContact CG2-CG 4.49Å; I282-E286 WeakPolarHBondContact O-CG 3.39Å; I282-E286 PolarHBondContact O-N 2.99Å; I282-E286 VanDerWaalsContact O-N 3.09Å
283	I	86.3	Confident	76.8	Confident	9 Å²	9	79.2 Å²	79.2	5%	0.046	41%	0.405	C	S	.	.	H	α-helix	trans	-58.2	-46.1	-178.2	-64.3	162.1	0	0	0	110.3	L251 L254 A279 W280 S285 E286 S287 I297 P299 V325 L327	L251-I283 HydrophobicContact CD2-CD1 4.05Å; L251-I283 HydrophobicContact CD2-CG1 4.19Å; L254-I283 HydrophobicContact CD2-CD1 3.59Å; L254-I283 HydrophobicContact CD2-CG1 4.1Å; A279-I283 WeakPolarHBondContact O-CB 3.28Å; A279-I283 WeakPolarHBondContact O-CD1 3.18Å; A279-I283 VanDerWaalsContact O-CG1 3.23Å; A279-I283 WeakPolarHBondContact O-CG1 3.48Å; A279-I283 PolarHBondContact O-N 3.14Å; W280-I283 PolarHBondContact O-N 3Å; I283-S285 VanDerWaalsContact C-N 3.27Å; I283-S285 PolarHBondContact O-N 2.82Å; I283-E286 PolarHBondContact O-N 2.88Å; I283-E286 VanDerWaalsContact O-N 3.15Å; I283-S287 PolarHBondContact O-N 2.83Å; I283-S287 PolarHBondContact O-OG 3.22Å; I283-I297 HydrophobicContact CG2-CG2 3.72Å; I283-P299 HydrophobicContact CB-CB 4.14Å; I283-P299 HydrophobicContact CB-CG 4.22Å; I283-P299 HydrophobicContact CD1-CB 4.41Å; I283-P299 HydrophobicContact CG2-CB 3.8Å; I283-P299 HydrophobicContact CG2-CG 3.81Å; I283-V325 HydrophobicContact CD1-CG1 4.44Å; I283-L327 HydrophobicContact CD1-CD1 4.2Å; I283-L327 HydrophobicContact CD1-CD2 4.12Å
284	Q	82.6	Confident	75.5	Confident	90 Å²	90	78.2 Å²	78.2	42%	0.421	40%	0.402	S	S	.	.	H	α-helix	trans	-60	-36.9	178.7	-167.3	73.1	51.8	0	0	112.5	W280 I282 P288 P299	W280-Q284 HydrophobicContact CH2-CG 4.34Å; W280-Q284 HydrophobicContact CZ2-CG 4.37Å; W280-Q284 VanDerWaalsContact O-CB 3.25Å; W280-Q284 WeakPolarHBondContact O-CB 3.5Å; W280-Q284 PolarHBondContact O-N 2.69Å; I282-Q284 VanDerWaalsContact C-N 3.32Å; I282-Q284 PolarHBondContact O-N 2.93Å; Q284-P288 WeakPolarHBondContact O-CD 3.33Å; Q284-P299 HydrophobicContact CB-CG 4.48Å
285	S	81.9	Confident	74.5	Confident	64 Å²	64	76.4 Å²	76.4	45%	0.448	40%	0.396	S	S	.	.	H	α-helix	trans	-74.8	-25.1	179.3	77.9	0	0	0	0	113.7	S281 I282 I283	S281-S285 WeakPolarHBondContact O-CB 3.48Å; S281-S285 PolarHBondContact O-N 3.4Å; S281-S285 VanDerWaalsContact O-N 3.16Å; S281-S285 PolarHBondContact O-OG 2.94Å; I282-S285 PolarHBondContact O-N 2.88Å; I282-S285 PolarHBondContact O-OG 2.98Å; I283-S285 VanDerWaalsContact C-N 3.27Å; I283-S285 PolarHBondContact O-N 2.82Å
286	E	76	Confident	73.6	Confident	75 Å²	75	82.3 Å²	82.3	35%	0.35	42%	0.423	S	S	.	.	H	α-helix	trans	-92.7	-26.8	-178.7	-68.6	-178.3	167	0	0	112.8	Q255 I282 I283 P288 R289	Q255-E286 PolarHBondContact NE2-OE2 3.48Å; I282-E286 HydrophobicContact CG2-CG 4.49Å; I282-E286 WeakPolarHBondContact O-CG 3.39Å; I282-E286 PolarHBondContact O-N 2.99Å; I282-E286 VanDerWaalsContact O-N 3.09Å; I283-E286 PolarHBondContact O-N 2.88Å; I283-E286 VanDerWaalsContact O-N 3.15Å; E286-P288 VanDerWaalsContact C-CD 3.44Å; E286-R289 WeakPolarHBondContact O-CB 3.4Å; E286-R289 PolarHBondContact O-N 2.97Å
287	S	65.5	Low	72.9	Confident	22 Å²	22	83 Å²	83	15%	0.154	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-49.2	-41.7	177.6	-66.7	0	0	0	0	116	I283 R289 I297	I283-S287 PolarHBondContact O-N 2.83Å; I283-S287 PolarHBondContact O-OG 3.22Å; S287-R289 VanDerWaalsContact C-N 3.26Å; S287-R289 PolarHBondContact O-N 2.87Å; S287-I297 PolarHBondContact OG-O 3.27Å
288	P	58.9	Low	72.5	Confident	108 Å²	108	82.1 Å²	82.1	70%	0.701	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-78.9	-2.4	179.8	30	-34.2	0	0	0	114.5	Q284 E286	Q284-P288 WeakPolarHBondContact O-CD 3.33Å; E286-P288 VanDerWaalsContact C-CD 3.44Å
289	R	54.3	Low	71.9	Confident	209 Å²	209	77 Å²	77	79%	0.789	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-100.4	-1	-175.1	-61.2	-176.8	-179.7	-175.9	1.1	114.2	E286 S287	E286-R289 WeakPolarHBondContact O-CB 3.4Å; E286-R289 PolarHBondContact O-N 2.97Å; S287-R289 VanDerWaalsContact C-N 3.26Å; S287-R289 PolarHBondContact O-N 2.87Å
290	L	56.9	Low	71.2	Confident	72 Å²	72	78.1 Å²	78.1	38%	0.377	41%	0.407	S	S	.	.	S	Bend	trans	-78.7	142.7	-179	-74.5	140	0	0	0	111.2	L294	L290-L294 HydrophobicContact CB-CD1 4.28Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å
291	E	55.4	Low	70.4	Confident	166 Å²	166	74.1 Å²	74.1	78%	0.776	39%	0.393	S	S	*	.			trans	-57.3	153.6	-175	-64.5	-176.6	160.4	0	0	113.4	G293 L294	E291-G293 PolarHBondContact O-N 2.85Å; E291-L294 PolarHBondContact O-N 3.21Å
292	E	53	Low	69.5	Low	208 Å²	208	71.2 Å²	71.2	97%	0.972	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	109.4	174.3	-71.6	-178	165.5	0	0	110.7
293	G	58.4	Low	68	Low	64 Å²	64	69.6 Å²	69.6	66%	0.66	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.3	10	175.3	0	0	0	0	0	117	E291	E291-G293 PolarHBondContact O-N 2.85Å
294	L	60.7	Low	66.2	Low	41 Å²	41	73.3 Å²	73.3	22%	0.215	39%	0.389	C	S	.	.	S	Bend	trans	-98.3	145	166.1	-75.2	165.2	0	0	0	111.3	L259 K261 L290 E291	L259-L294 HydrophobicContact CD2-CD1 4.21Å; K261-L294 HydrophobicContact CD-CD2 4.43Å; K261-L294 HydrophobicContact CG-CD2 4.21Å; L290-L294 HydrophobicContact CB-CD1 4.28Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; E291-L294 PolarHBondContact O-N 3.21Å
295	D	65.3	Low	64.4	Low	72 Å²	72	73.6 Å²	73.6	39%	0.385	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-61.6	145.5	174.7	-72.1	-17.4	0	0	0	110.5	H258 I297 N321	H258-D295 PolarHBondContact CE1-O 3.27Å; H258-D295 PolarHBondContact NE2-O 3.02Å; D295-I297 PolarHBondContact O-N 3.38Å; D295-N321 WeakPolarHBondContact CA-O 3.44Å; D295-N321 VanDerWaalsContact CB-O 3.23Å; D295-N321 WeakPolarHBondContact CB-O 3.41Å
296	Q	71.9	Confident	62.9	Low	135 Å²	135	75.9 Å²	75.9	63%	0.631	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	124.2	179.5	-172.3	176.5	11.2	0	0	110.3	N321 S322 K323	Q296-N321 PolarHBondContact N-O 3.28Å; Q296-S322 CarbonylContact O-C 3.55Å; Q296-S322 WeakPolarHBondContact O-CA 3.48Å; Q296-S322 WeakPolarHBondContact O-CB 3.49Å; Q296-K323 PolarHBondContact O-N 3.12Å
297	I	75.4	Confident	61.2	Low	14 Å²	14	79.4 Å²	79.4	7%	0.072	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127	167.7	-58.4	-178.7	0	0	0	108.8	H258 I283 S287 D295 K323 V325	H258-I297 HydrophobicContact CB-CD1 3.99Å; H258-I297 WeakPolarHBondContact CE1-CG1 3.25Å; H258-I297 VanDerWaalsContact CG-CD1 3.47Å; H258-I297 WeakPolarHBondContact ND1-CG1 3.29Å; I283-I297 HydrophobicContact CG2-CG2 3.72Å; S287-I297 PolarHBondContact OG-O 3.27Å; D295-I297 PolarHBondContact O-N 3.38Å; I297-K323 WeakPolarHBondContact CA-O 3.34Å; I297-V325 HydrophobicContact CG2-CG2 3.62Å
298	T	77.3	Confident	60	Low	53 Å²	53	81.7 Å²	81.7	33%	0.325	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	104.7	171.8	-54.5	0	0	0	0	109.3	K323 R324 V325	T298-K323 PolarHBondContact N-O 2.97Å; T298-R324 WeakPolarHBondContact O-CA 3.18Å; T298-V325 PolarHBondContact O-N 3.13Å
299	P	76	Confident	59.5	Low	9 Å²	9	78.9 Å²	78.9	6%	0.058	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.6	176	31.6	-33.6	0	0	0	110.3	W280 I283 Q284	W280-P299 PolarHBondContact NE1-O 3.41Å; I283-P299 HydrophobicContact CB-CB 4.14Å; I283-P299 HydrophobicContact CB-CG 4.22Å; I283-P299 HydrophobicContact CD1-CB 4.41Å; I283-P299 HydrophobicContact CG2-CB 3.8Å; I283-P299 HydrophobicContact CG2-CG 3.81Å; Q284-P299 HydrophobicContact CB-CG 4.48Å
300	I	76.3	Confident	59.2	Low	25 Å²	25	70.8 Å²	70.8	13%	0.128	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.3	179.4	-62.5	178	0	0	0	107.4	L302 F309 R324 V325 F326 L327	I300-L302 HydrophobicContact CG2-CD2 3.88Å; I300-L302 HydrophobicContact CG2-CG 4.42Å; I300-F309 HydrophobicContact CD1-CE2 4.37Å; I300-F309 HydrophobicContact CG2-CD2 3.97Å; I300-F309 HydrophobicContact CG2-CE2 3.22Å; I300-F309 HydrophobicContact CG2-CZ 3.63Å; I300-R324 HydrophobicContact CD1-CB 4.04Å; I300-R324 HydrophobicContact CD1-CG 4.06Å; I300-V325 PolarHBondContact N-O 3.48Å; I300-F326 HydrophobicContact CB-CD1 3.91Å; I300-F326 HydrophobicContact CB-CE1 4.22Å; I300-F326 HydrophobicContact CD1-CD1 4.3Å; I300-F326 HydrophobicContact CD1-CE1 3.74Å; I300-F326 HydrophobicContact CD1-CZ 4.3Å; I300-F326 HydrophobicContact CG2-CD1 3.8Å; I300-F326 HydrophobicContact CG2-CE1 4.03Å; I300-F326 CarbonylContact O-C 3.53Å; I300-F326 WeakPolarHBondContact O-CA 2.95Å; I300-L327 PolarHBondContact O-N 3.25Å
301	V	72.4	Confident	58.9	Low	13 Å²	13	68.2 Å²	68.2	8%	0.079	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128	174.2	170.5	0	0	0	0	108.1	V276 W280 C303 Q306 L327	V276-V301 HydrophobicContact CG1-CB 4.25Å; V276-V301 HydrophobicContact CG1-CG1 3.6Å; V276-V301 HydrophobicContact CG1-CG2 3.78Å; W280-V301 HydrophobicContact CB-CG2 3.65Å; W280-V301 VanDerWaalsContact CD1-CG2 3.44Å; W280-V301 HydrophobicContact CG-CG2 3.66Å; V301-C303 HydrophobicContact CG1-CB 3.65Å; V301-C303 WeakPolarHBondContact CG1-SG 3.45Å; V301-Q306 PolarHBondContact O-OE1 3.4Å; V301-L327 HydrophobicContact CG2-CB 4.46Å; V301-L327 HydrophobicContact CG2-CD1 4.15Å
302	L	66.7	Low	58.3	Low	5 Å²	5	64.1 Å²	64.1	3%	0.026	37%	0.372	C	S	.	.			trans	-107.4	62.9	170.2	-51	177.9	0	0	0	108.6	I300 F309 F326 L327 L328 Q332 W337	I300-L302 HydrophobicContact CG2-CD2 3.88Å; I300-L302 HydrophobicContact CG2-CG 4.42Å; L302-F309 HydrophobicContact CD2-CB 4.46Å; L302-F309 HydrophobicContact CD2-CD1 3.32Å; L302-F309 HydrophobicContact CD2-CD2 3.88Å; L302-F309 HydrophobicContact CD2-CE1 3.28Å; L302-F309 HydrophobicContact CD2-CE2 3.92Å; L302-F309 HydrophobicContact CD2-CG 3.6Å; L302-F309 HydrophobicContact CD2-CZ 3.62Å; L302-F326 HydrophobicContact CD1-CD1 4.01Å; L302-F326 HydrophobicContact CG-CD1 4.37Å; L302-L327 PolarHBondContact N-O 2.88Å; L302-L328 HydrophobicContact CB-CD2 3.45Å; L302-L328 VanDerWaalsContact CB-CD2 3.45Å; L302-L328 HydrophobicContact CD1-CD2 3.5Å; L302-L328 HydrophobicContact CG-CD2 3.68Å; L302-Q332 VanDerWaalsContact O-CD 3.3Å; L302-Q332 VanDerWaalsContact O-CG 3.3Å; L302-Q332 WeakPolarHBondContact O-CG 3.36Å; L302-Q332 PolarHBondContact O-NE2 3.41Å; L302-W337 HydrophobicContact CD1-CH2 3.82Å; L302-W337 HydrophobicContact CD1-CZ2 3.53Å
303	C	57.6	Low	57.8	Low	7 Å²	7	59.1 Å²	59.1	5%	0.047	35%	0.351	C	S	.	.			trans	-91.4	152.3	172.2	-75	0	0	0	0	110.5	V301 S305 Q306	V301-C303 HydrophobicContact CG1-CB 3.65Å; V301-C303 WeakPolarHBondContact CG1-SG 3.45Å; C303-S305 PolarHBondContact O-N 2.65Å; C303-Q306 PolarHBondContact O-N 3.31Å
304	P	48.4	Very low	57.4	Low	87 Å²	87	57 Å²	57	57%	0.565	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-25.8	180	-16.6	32.5	0	0	0	112.4	Q306 Q332	P304-Q306 VanDerWaalsContact C-N 3.31Å; P304-Q306 PolarHBondContact O-N 2.93Å; P304-Q332 VanDerWaalsContact CD-NE2 3.31Å
305	S	43.8	Very low	56.8	Low	96 Å²	96	61.9 Å²	61.9	67%	0.671	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-6.9	-176.4	-18.4	0	0	0	0	114.5	C303	C303-S305 PolarHBondContact O-N 2.65Å
306	Q	50.9	Low	55.7	Low	112 Å²	112	65.8 Å²	65.8	52%	0.523	36%	0.362	S	S	.	.			trans	-96.6	106.4	172.8	-91.1	-165.3	-53.9	0	0	110.7	V301 C303 P304	V301-Q306 PolarHBondContact O-OE1 3.4Å; C303-Q306 PolarHBondContact O-N 3.31Å; P304-Q306 VanDerWaalsContact C-N 3.31Å; P304-Q306 PolarHBondContact O-N 2.93Å
307	E	39.8	Very low	54.4	Low	149 Å²	149	61.3 Å²	61.3	70%	0.696	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	130.6	165.7	-67.5	-179.8	172.6	0	0	110	S562	E307-S562 WeakPolarHBondContact OE1-CB 3.18Å; E307-S562 PolarHBondContact OE1-OG 3.49Å
308	G	39.8	Very low	52.9	Low	70 Å²	70	64.4 Å²	64.4	72%	0.722	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	114	6.8	165.6	0	0	0	0	0	117.6	S310	G308-S310 PolarHBondContact O-N 3.04Å
309	F	49.8	Very low	51.3	Low	49 Å²	49	66.4 Å²	66.4	22%	0.215	41%	0.405	C	S	.	.			trans	-89.2	96.4	174.7	-160.9	-82.8	0	0	0	111.8	R112 I300 L302 I314 F326 W337	R112-F309 VanDerWaalsContact NH2-CD1 3.29Å; R112-F309 PolarHBondContact NH2-O 3.32Å; I300-F309 HydrophobicContact CD1-CE2 4.37Å; I300-F309 HydrophobicContact CG2-CD2 3.97Å; I300-F309 HydrophobicContact CG2-CE2 3.22Å; I300-F309 HydrophobicContact CG2-CZ 3.63Å; L302-F309 HydrophobicContact CD2-CB 4.46Å; L302-F309 HydrophobicContact CD2-CD1 3.32Å; L302-F309 HydrophobicContact CD2-CD2 3.88Å; L302-F309 HydrophobicContact CD2-CE1 3.28Å; L302-F309 HydrophobicContact CD2-CE2 3.92Å; L302-F309 HydrophobicContact CD2-CG 3.6Å; L302-F309 HydrophobicContact CD2-CZ 3.62Å; F309-I314 HydrophobicContact CE1-CD1 3.31Å; F309-I314 HydrophobicContact CE1-CG1 3.98Å; F309-I314 HydrophobicContact CZ-CD1 3.49Å; F309-I314 VanDerWaalsContact CZ-CD1 3.49Å; F309-I314 HydrophobicContact CZ-CG1 3.72Å; F309-F326 HydrophobicContact CZ-CE1 4.16Å; F309-W337 HydrophobicContact CE1-CH2 4.5Å; F309-W337 HydrophobicContact CE1-CZ2 4.09Å
310	S	48.2	Very low	50.1	Low	40 Å²	40	70.3 Å²	70.3	28%	0.28	43%	0.429	S	S	.	.			trans	-90	132.3	171.3	179.9	0	0	0	0	111	G308 L312 L313	G308-S310 PolarHBondContact O-N 3.04Å; S310-L312 PolarHBondContact O-N 3.23Å; S310-L312 VanDerWaalsContact O-N 3.15Å; S310-L312 WeakPolarHBondContact OG-CB 3.36Å; S310-L312 PolarHBondContact OG-N 3.11Å; S310-L313 WeakPolarHBondContact O-CB 3.33Å; S310-L313 PolarHBondContact O-N 3.09Å
311	P	48.8	Very low	49.2	Very low	17 Å²	17	75.7 Å²	75.7	11%	0.11	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-30.7	170.8	-25.6	33.9	0	0	0	113.7	L313 I314 W337	P311-L313 PolarHBondContact O-N 3.45Å; P311-I314 WeakPolarHBondContact O-CB 3.46Å; P311-I314 PolarHBondContact O-N 3.4Å; P311-W337 HydrophobicContact CB-CB 4.44Å; P311-W337 HydrophobicContact CB-CG 3.96Å; P311-W337 HydrophobicContact CG-CG 4.47Å
312	L	44.3	Very low	49	Very low	81 Å²	81	76.3 Å²	76.3	42%	0.424	46%	0.463	S	S	.	.	H	α-helix	trans	-60.6	-27.8	178.1	-68.3	161	0	0	0	112.9	S310 I314 Q316	S310-L312 PolarHBondContact O-N 3.23Å; S310-L312 VanDerWaalsContact O-N 3.15Å; S310-L312 WeakPolarHBondContact OG-CB 3.36Å; S310-L312 PolarHBondContact OG-N 3.11Å; L312-I314 PolarHBondContact O-N 3.05Å; L312-Q316 WeakPolarHBondContact O-CG 3.4Å; L312-Q316 PolarHBondContact O-N 2.92Å
313	L	42.8	Very low	49.6	Very low	102 Å²	102	76.6 Å²	76.6	53%	0.534	46%	0.464	S	S	.	.	H	α-helix	trans	-71.6	-19.4	175.8	-69.1	167.6	0	0	0	112.6	S310 P311	S310-L313 WeakPolarHBondContact O-CB 3.33Å; S310-L313 PolarHBondContact O-N 3.09Å; P311-L313 PolarHBondContact O-N 3.45Å
314	I	49.8	Very low	50.9	Low	19 Å²	19	78 Å²	78	10%	0.097	47%	0.469	C	S	.	.	H	α-helix	trans	-79.6	-42.9	178.3	-64.4	158.7	0	0	0	110.6	F309 P311 L312 R324 F326 W337	F309-I314 HydrophobicContact CE1-CD1 3.31Å; F309-I314 HydrophobicContact CE1-CG1 3.98Å; F309-I314 HydrophobicContact CZ-CD1 3.49Å; F309-I314 VanDerWaalsContact CZ-CD1 3.49Å; F309-I314 HydrophobicContact CZ-CG1 3.72Å; P311-I314 WeakPolarHBondContact O-CB 3.46Å; P311-I314 PolarHBondContact O-N 3.4Å; L312-I314 PolarHBondContact O-N 3.05Å; I314-R324 PolarHBondContact O-NH1 3.49Å; I314-F326 HydrophobicContact CD1-CE1 4.17Å; I314-F326 HydrophobicContact CD1-CZ 4.4Å; I314-W337 HydrophobicContact CD1-CD2 3.87Å; I314-W337 HydrophobicContact CD1-CE3 3.56Å; I314-W337 HydrophobicContact CD1-CH2 3.23Å; I314-W337 HydrophobicContact CD1-CZ2 3.45Å; I314-W337 VanDerWaalsContact CD1-CZ2 3.45Å; I314-W337 HydrophobicContact CD1-CZ3 3.27Å; I314-W337 HydrophobicContact CG1-CZ3 4.43Å; I314-W337 HydrophobicContact CG2-CE3 4.4Å; I314-W337 HydrophobicContact CG2-CZ3 4.31Å
315	E	47.2	Very low	52.8	Low	144 Å²	144	73.9 Å²	73.9	67%	0.673	44%	0.442	S	S	*	.	H	α-helix	trans	-69.5	-34.2	179.6	-71.2	-165.7	147.3	0	0	113.2	A317	E315-A317 PolarHBondContact O-N 3.41Å
316	Q	43	Very low	54.9	Low	155 Å²	155	69.3 Å²	69.3	72%	0.724	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-6.9	-175	-73.5	-174.6	-3.3	0	0	115	L312	L312-Q316 WeakPolarHBondContact O-CG 3.4Å; L312-Q316 PolarHBondContact O-N 2.92Å
317	A	43.6	Very low	56.8	Low	41 Å²	41	64 Å²	64	34%	0.339	39%	0.385	S	S	.	.			trans	-114.3	51	-171	0	0	0	0	0	112.4	E315 A319	E315-A317 PolarHBondContact O-N 3.41Å; A317-A319 VanDerWaalsContact C-N 3.32Å; A317-A319 PolarHBondContact O-N 3.45Å
318	G	44.3	Very low	59.2	Low	79 Å²	79	56.9 Å²	56.9	81%	0.814	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	68.2	165.6	0	0	0	0	0	111.7
319	A	44	Very low	61.7	Low	95 Å²	95	53.7 Å²	53.7	79%	0.785	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-164.8	13.7	174.9	0	0	0	0	0	117.3	A317	A317-A319 VanDerWaalsContact C-N 3.32Å; A317-A319 PolarHBondContact O-N 3.45Å
320	T	50.1	Low	63.4	Low	91 Å²	91	53.6 Å²	53.6	56%	0.558	32%	0.318	S	S	*	.			trans	-125.7	134.3	-178.7	57.8	0	0	0	0	112.2	S322	T320-S322 PolarHBondContact O-N 3.23Å; T320-S322 PolarHBondContact OG1-OG 2.98Å
321	N	57.2	Low	65	Low	137 Å²	137	57.2 Å²	57.2	73%	0.733	33%	0.329	S	S	*	.	S	Bend	trans	-66.1	54	172.3	-71.9	-5.4	0	0	0	112.1	D295 Q296	D295-N321 WeakPolarHBondContact CA-O 3.44Å; D295-N321 VanDerWaalsContact CB-O 3.23Å; D295-N321 WeakPolarHBondContact CB-O 3.41Å; Q296-N321 PolarHBondContact N-O 3.28Å
322	S	68.5	Low	66.4	Low	27 Å²	27	57.5 Å²	57.5	19%	0.189	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.2	-177.1	59.1	0	0	0	0	111.6	Q296 T320	Q296-S322 CarbonylContact O-C 3.55Å; Q296-S322 WeakPolarHBondContact O-CA 3.48Å; Q296-S322 WeakPolarHBondContact O-CB 3.49Å; T320-S322 PolarHBondContact O-N 3.23Å; T320-S322 PolarHBondContact OG1-OG 2.98Å
323	K	79.1	Confident	67.9	Low	11 Å²	11	54.2 Å²	54.2	5%	0.048	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	119.4	175.3	-176.1	176.3	-73	-87.7	0	108.5	E262 G264 V266 Q296 I297 T298	E262-K323 PolarHBondContact O-NZ 2.79Å; G264-K323 PolarHBondContact O-NZ 2.93Å; V266-K323 HydrophobicContact CG2-CD 4.01Å; V266-K323 HydrophobicContact CG2-CG 4.34Å; Q296-K323 PolarHBondContact O-N 3.12Å; I297-K323 WeakPolarHBondContact CA-O 3.34Å; T298-K323 PolarHBondContact N-O 2.97Å
324	R	85.1	Confident	69.1	Low	37 Å²	37	51.2 Å²	51.2	14%	0.14	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	139.5	176.6	-60.2	176.3	-176	175.6	3.7	110.4	N265 V266 T298 I300 I314 F326	N265-R324 WeakPolarHBondContact CA-O 3.47Å; N265-R324 HydrophobicContact CB-CB 4.42Å; N265-R324 WeakPolarHBondContact OD1-CB 3.2Å; N265-R324 PolarHBondContact OD1-N 3.13Å; V266-R324 PolarHBondContact N-O 3.23Å; T298-R324 WeakPolarHBondContact O-CA 3.18Å; I300-R324 HydrophobicContact CD1-CB 4.04Å; I300-R324 HydrophobicContact CD1-CG 4.06Å; I314-R324 PolarHBondContact O-NH1 3.49Å; R324-F326 HydrophobicContact CB-CE2 4.23Å; R324-F326 HydrophobicContact CB-CZ 4.25Å
325	V	88.1	Confident	70.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	109.3	178.5	-178.4	0	0	0	0	108.3	L254 V266 V268 I283 I297 T298 I300 L327	L254-V325 HydrophobicContact CD1-CB 4.49Å; L254-V325 HydrophobicContact CD1-CG1 3.89Å; L254-V325 HydrophobicContact CD1-CG2 3.73Å; L254-V325 HydrophobicContact CD2-CG1 3.77Å; L254-V325 HydrophobicContact CD2-CG2 4.31Å; V266-V325 HydrophobicContact CB-CG2 4.44Å; V266-V325 CarbonylContact O-C 3.51Å; V266-V325 WeakPolarHBondContact O-CA 3.5Å; V268-V325 HydrophobicContact CG2-CG1 3.99Å; I283-V325 HydrophobicContact CD1-CG1 4.44Å; I297-V325 HydrophobicContact CG2-CG2 3.62Å; T298-V325 PolarHBondContact O-N 3.13Å; I300-V325 PolarHBondContact N-O 3.48Å; V325-L327 HydrophobicContact CG1-CD2 3.9Å
326	F	88.9	Confident	71.3	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.5	176.7	-57.7	-79.6	0	0	0	109.6	N265 V266 I267 V268 I300 L302 F309 I314 R324 W337 V342	N265-F326 HydrophobicContact CB-CD2 4.41Å; N265-F326 HydrophobicContact CB-CE2 3.84Å; V266-F326 PolarHBondContact O-N 2.84Å; I267-F326 CarbonylContact C-O 3.57Å; I267-F326 WeakPolarHBondContact CA-O 3.46Å; I267-F326 HydrophobicContact CG1-CB 4.05Å; I267-F326 HydrophobicContact CG1-CD2 4.15Å; V268-F326 PolarHBondContact N-O 3.44Å; I300-F326 HydrophobicContact CB-CD1 3.91Å; I300-F326 HydrophobicContact CB-CE1 4.22Å; I300-F326 HydrophobicContact CD1-CD1 4.3Å; I300-F326 HydrophobicContact CD1-CE1 3.74Å; I300-F326 HydrophobicContact CD1-CZ 4.3Å; I300-F326 HydrophobicContact CG2-CD1 3.8Å; I300-F326 HydrophobicContact CG2-CE1 4.03Å; I300-F326 CarbonylContact O-C 3.53Å; I300-F326 WeakPolarHBondContact O-CA 2.95Å; L302-F326 HydrophobicContact CD1-CD1 4.01Å; L302-F326 HydrophobicContact CG-CD1 4.37Å; F309-F326 HydrophobicContact CZ-CE1 4.16Å; I314-F326 HydrophobicContact CD1-CE1 4.17Å; I314-F326 HydrophobicContact CD1-CZ 4.4Å; R324-F326 HydrophobicContact CB-CE2 4.23Å; R324-F326 HydrophobicContact CB-CZ 4.25Å; F326-W337 AromaticContact CD1-CH2 3.86Å; F326-W337 HydrophobicContact CD1-CH2 3.86Å; F326-W337 AromaticContact CE1-CH2 3.55Å; F326-W337 HydrophobicContact CE1-CH2 3.55Å; F326-W337 HydrophobicContact CE1-CZ3 4.03Å; F326-W337 HydrophobicContact CE2-CH2 4.45Å; F326-W337 HydrophobicContact CE2-CZ3 4.3Å; F326-W337 HydrophobicContact CG-CH2 4.43Å; F326-W337 AromaticContact CZ-CH2 3.87Å; F326-W337 HydrophobicContact CZ-CH2 3.87Å; F326-W337 AromaticContact CZ-CZ3 3.85Å; F326-W337 HydrophobicContact CZ-CZ3 3.85Å; F326-V342 HydrophobicContact CE2-CG2 4.41Å
327	L	90.6	Very high	72.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.5	178.7	-56.9	175.4	0	0	0	109.2	V268 V276 A279 W280 I283 I300 V301 L302 V325	V268-L327 HydrophobicContact CB-CD2 3.91Å; V268-L327 HydrophobicContact CG2-CD2 4.19Å; V276-L327 HydrophobicContact CG1-CB 3.76Å; V276-L327 HydrophobicContact CG2-CB 4.45Å; A279-L327 HydrophobicContact CB-CD1 3.94Å; A279-L327 HydrophobicContact CB-CD2 4.35Å; W280-L327 HydrophobicContact CB-CD1 3.84Å; I283-L327 HydrophobicContact CD1-CD1 4.2Å; I283-L327 HydrophobicContact CD1-CD2 4.12Å; I300-L327 PolarHBondContact O-N 3.25Å; V301-L327 HydrophobicContact CG2-CB 4.46Å; V301-L327 HydrophobicContact CG2-CD1 4.15Å; L302-L327 PolarHBondContact N-O 2.88Å; V325-L327 HydrophobicContact CG1-CD2 3.9Å
328	L	90.9	Very high	73.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	159.6	-169.8	-50.1	-178.3	0	0	0	112.8	I267 V268 F269 L270 L302 Q332 V335	I267-L328 HydrophobicContact CD1-CD1 4.47Å; I267-L328 HydrophobicContact CG2-CD1 3.52Å; I267-L328 HydrophobicContact CG2-CG 4.1Å; V268-L328 PolarHBondContact O-N 3.48Å; F269-L328 WeakPolarHBondContact CA-O 3.37Å; F269-L328 HydrophobicContact CD1-CB 3.83Å; F269-L328 HydrophobicContact CE1-CB 3.71Å; F269-L328 HydrophobicContact CE1-CD1 3.87Å; F269-L328 HydrophobicContact CE1-CG 4.41Å; F269-L328 HydrophobicContact CZ-CB 4.45Å; F269-L328 HydrophobicContact CZ-CD1 3.82Å; L270-L328 PolarHBondContact N-O 3.46Å; L302-L328 HydrophobicContact CB-CD2 3.45Å; L302-L328 VanDerWaalsContact CB-CD2 3.45Å; L302-L328 HydrophobicContact CD1-CD2 3.5Å; L302-L328 HydrophobicContact CG-CD2 3.68Å; L328-Q332 HydrophobicContact CD2-CB 4.34Å; L328-V335 HydrophobicContact CD1-CG2 3.72Å
329	T	90.4	Very high	74.4	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.018	20%	0.2	C	C	.	.			trans	-114.9	-179.3	166.3	76.2	0	0	0	0	109.9	E273 V276 K331 Q332	E273-T329 HydrophobicContact CG-CG2 4.12Å; V276-T329 HydrophobicContact CG2-CG2 3.77Å; T329-K331 PolarHBondContact O-N 3.05Å; T329-K331 PolarHBondContact OG1-N 3.42Å; T329-Q332 PolarHBondContact O-N 3.03Å; T329-Q332 VanDerWaalsContact O-N 3.14Å; T329-Q332 PolarHBondContact OG1-OE1 3.19Å
330	H	86.4	Confident	75.2	Confident	47 Å²	47	40.7 Å²	40.7	22%	0.218	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-58.8	-26.3	174.8	74.1	-83.1	0	0	0	113.7	Q332 E333 Q351	H330-Q332 PolarHBondContact O-N 2.94Å; H330-E333 VanDerWaalsContact CA-OE1 3.31Å; H330-E333 WeakPolarHBondContact CA-OE1 3.48Å; H330-E333 WeakPolarHBondContact CB-OE1 3.48Å; H330-E333 WeakPolarHBondContact O-CG 3.43Å; H330-Q351 HydrophobicContact CB-CB 4.22Å
331	K	80.8	Confident	76.4	Confident	116 Å²	116	38.3 Å²	38.3	50%	0.504	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-71.6	-7.2	179.5	-60.2	-178.9	-176.6	170.4	0	113.7	E273 T329	E273-K331 IonicContact OE1-NZ 2.78Å; E273-K331 PolarHBondContact OE1-NZ 3.29Å; E273-K331 VanDerWaalsContact OE1-NZ 3.13Å; T329-K331 PolarHBondContact O-N 3.05Å; T329-K331 PolarHBondContact OG1-N 3.42Å
332	Q	78.1	Confident	77.8	Confident	22 Å²	22	31.8 Å²	31.8	10%	0.103	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-130.8	40.2	-179.8	-56.7	89.6	6.4	0	0	110.4	L302 P304 L328 T329 H330 D334 V335	L302-Q332 VanDerWaalsContact O-CD 3.3Å; L302-Q332 VanDerWaalsContact O-CG 3.3Å; L302-Q332 WeakPolarHBondContact O-CG 3.36Å; L302-Q332 PolarHBondContact O-NE2 3.41Å; P304-Q332 VanDerWaalsContact CD-NE2 3.31Å; L328-Q332 HydrophobicContact CD2-CB 4.34Å; T329-Q332 PolarHBondContact O-N 3.03Å; T329-Q332 VanDerWaalsContact O-N 3.14Å; T329-Q332 PolarHBondContact OG1-OE1 3.19Å; H330-Q332 PolarHBondContact O-N 2.94Å; Q332-D334 VanDerWaalsContact C-N 3.25Å; Q332-V335 WeakPolarHBondContact O-CG2 3.31Å
333	E	76.7	Confident	78.8	Confident	13 Å²	13	32.5 Å²	32.5	6%	0.061	16%	0.157	C	C	.	.			trans	-72.9	-22.4	175.3	-76.2	174.5	-175.9	0	0	112	F269 H330 V335 Q374 V377 R378 L381	F269-E333 HydrophobicContact CD1-CG 4.4Å; F269-E333 HydrophobicContact CE1-CG 3.77Å; F269-E333 HydrophobicContact CZ-CG 4.38Å; H330-E333 VanDerWaalsContact CA-OE1 3.31Å; H330-E333 WeakPolarHBondContact CA-OE1 3.48Å; H330-E333 WeakPolarHBondContact CB-OE1 3.48Å; H330-E333 WeakPolarHBondContact O-CG 3.43Å; E333-V335 VanDerWaalsContact C-N 3.26Å; E333-V335 PolarHBondContact O-N 2.97Å; E333-V335 VanDerWaalsContact O-N 3.08Å; E333-Q374 PolarHBondContact OE1-NE2 2.67Å; E333-Q374 WeakPolarHBondContact OE2-CG 3.4Å; E333-V377 HydrophobicContact CB-CG1 4.01Å; E333-R378 HydrophobicContact CG-CG 4.21Å; E333-R378 IonicContact OE1-CZ 2.89Å; E333-R378 IonicContact OE1-NE 3.72Å; E333-R378 PolarHBondContact OE1-NE 2.92Å; E333-R378 IonicContact OE1-NH2 4Å; E333-R378 PolarHBondContact OE1-NH2 3Å; E333-L381 WeakPolarHBondContact O-CD1 3.25Å
334	D	68.2	Low	79.4	Confident	39 Å²	39	32.3 Å²	32.3	21%	0.209	16%	0.156	C	C	.	.			trans	-92.1	42.9	-170.1	-51.8	-78.4	0	0	0	113.7	Q177 Q332 W336	Q177-D334 PolarHBondContact NE2-OD1 2.89Å; Q332-D334 VanDerWaalsContact C-N 3.25Å; D334-W336 PolarHBondContact O-N 3.04Å
335	V	73.8	Confident	79.9	Confident	9 Å²	9	30.5 Å²	30.5	6%	0.055	15%	0.149	C	C	.	.			trans	-75.4	72.3	178.2	-166.9	0	0	0	0	110	L328 Q332 E333 W337 A338 L381	L328-V335 HydrophobicContact CD1-CG2 3.72Å; Q332-V335 WeakPolarHBondContact O-CG2 3.31Å; E333-V335 VanDerWaalsContact C-N 3.26Å; E333-V335 PolarHBondContact O-N 2.97Å; E333-V335 VanDerWaalsContact O-N 3.08Å; V335-W337 HydrophobicContact CG1-CD2 3.58Å; V335-W337 HydrophobicContact CG1-CE3 3.96Å; V335-W337 HydrophobicContact CG1-CG 4.21Å; V335-W337 HydrophobicContact CG1-CH2 3.56Å; V335-W337 HydrophobicContact CG1-CZ2 3.2Å; V335-W337 HydrophobicContact CG1-CZ3 3.93Å; V335-W337 PolarHBondContact O-N 3.3Å; V335-W337 VanDerWaalsContact O-N 3.16Å; V335-A338 HydrophobicContact CB-CB 4.24Å; V335-A338 HydrophobicContact CG1-CB 3.96Å; V335-A338 WeakPolarHBondContact O-CB 3.48Å; V335-A338 PolarHBondContact O-N 3.26Å; V335-L381 HydrophobicContact CB-CD2 4.45Å
336	W	69.6	Low	80.3	Confident	64 Å²	64	30.5 Å²	30.5	24%	0.242	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-59.8	-29.1	-173.7	67.1	-95.2	0	0	0	113.5	L117 H120 D334 A338	L117-W336 HydrophobicContact CD2-CD2 4.32Å; L117-W336 HydrophobicContact CD2-CG 4.37Å; H120-W336 HydrophobicContact CB-CH2 3.66Å; H120-W336 HydrophobicContact CB-CZ2 3.8Å; H120-W336 AromaticContact CD2-CH2 3.23Å; H120-W336 WeakPolarHBondContact CD2-CH2 3.38Å; H120-W336 AromaticContact CD2-CZ3 3.52Å; H120-W336 AromaticContact CE1-CH2 3.84Å; H120-W336 AromaticContact CG-CH2 3.24Å; H120-W336 AromaticContact CG-CZ2 3.9Å; H120-W336 AromaticContact CG-CZ3 3.99Å; H120-W336 AromaticContact ND1-CH2 3.64Å; H120-W336 AromaticContact NE2-CH2 3.59Å; H120-W336 AromaticContact NE2-CZ3 3.51Å; D334-W336 PolarHBondContact O-N 3.04Å; W336-A338 VanDerWaalsContact C-N 3.32Å; W336-A338 PolarHBondContact O-N 2.94Å
337	W	70.8	Confident	80.6	Confident	39 Å²	39	30.5 Å²	30.5	15%	0.148	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-77.1	-10.9	177	57.5	-102.5	0	0	0	114.2	L302 F309 P311 I314 F326 V335 G339	L302-W337 HydrophobicContact CD1-CH2 3.82Å; L302-W337 HydrophobicContact CD1-CZ2 3.53Å; F309-W337 HydrophobicContact CE1-CH2 4.5Å; F309-W337 HydrophobicContact CE1-CZ2 4.09Å; P311-W337 HydrophobicContact CB-CB 4.44Å; P311-W337 HydrophobicContact CB-CG 3.96Å; P311-W337 HydrophobicContact CG-CG 4.47Å; I314-W337 HydrophobicContact CD1-CD2 3.87Å; I314-W337 HydrophobicContact CD1-CE3 3.56Å; I314-W337 HydrophobicContact CD1-CH2 3.23Å; I314-W337 HydrophobicContact CD1-CZ2 3.45Å; I314-W337 VanDerWaalsContact CD1-CZ2 3.45Å; I314-W337 HydrophobicContact CD1-CZ3 3.27Å; I314-W337 HydrophobicContact CG1-CZ3 4.43Å; I314-W337 HydrophobicContact CG2-CE3 4.4Å; I314-W337 HydrophobicContact CG2-CZ3 4.31Å; F326-W337 AromaticContact CD1-CH2 3.86Å; F326-W337 HydrophobicContact CD1-CH2 3.86Å; F326-W337 AromaticContact CE1-CH2 3.55Å; F326-W337 HydrophobicContact CE1-CH2 3.55Å; F326-W337 HydrophobicContact CE1-CZ3 4.03Å; F326-W337 HydrophobicContact CE2-CH2 4.45Å; F326-W337 HydrophobicContact CE2-CZ3 4.3Å; F326-W337 HydrophobicContact CG-CH2 4.43Å; F326-W337 AromaticContact CZ-CH2 3.87Å; F326-W337 HydrophobicContact CZ-CH2 3.87Å; F326-W337 AromaticContact CZ-CZ3 3.85Å; F326-W337 HydrophobicContact CZ-CZ3 3.85Å; V335-W337 HydrophobicContact CG1-CD2 3.58Å; V335-W337 HydrophobicContact CG1-CE3 3.96Å; V335-W337 HydrophobicContact CG1-CG 4.21Å; V335-W337 HydrophobicContact CG1-CH2 3.56Å; V335-W337 HydrophobicContact CG1-CZ2 3.2Å; V335-W337 HydrophobicContact CG1-CZ3 3.93Å; V335-W337 PolarHBondContact O-N 3.3Å; V335-W337 VanDerWaalsContact O-N 3.16Å; W337-G339 PolarHBondContact O-N 3.08Å
338	A	62.5	Low	80.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-51.9	-35.2	-176.7	0	0	0	0	0	112	I267 V335 W336 S341 V342 L381	I267-A338 HydrophobicContact CD1-CB 4.03Å; V335-A338 HydrophobicContact CB-CB 4.24Å; V335-A338 HydrophobicContact CG1-CB 3.96Å; V335-A338 WeakPolarHBondContact O-CB 3.48Å; V335-A338 PolarHBondContact O-N 3.26Å; W336-A338 VanDerWaalsContact C-N 3.32Å; W336-A338 PolarHBondContact O-N 2.94Å; A338-S341 PolarHBondContact O-N 3.35Å; A338-S341 PolarHBondContact O-OG 2.98Å; A338-V342 HydrophobicContact CB-CG2 4.08Å; A338-V342 PolarHBondContact O-N 2.99Å; A338-L381 HydrophobicContact CB-CB 4.36Å; A338-L381 HydrophobicContact CB-CD2 4.42Å
339	G	61.8	Low	80.8	Confident	18 Å²	18	31 Å²	31	19%	0.186	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	42.6	-148	161.1	0	0	0	0	0	115.8	Q79 W337 S341	Q79-G339 VanDerWaalsContact NE2-N 3.18Å; W337-G339 PolarHBondContact O-N 3.08Å; G339-S341 PolarHBondContact O-N 3.38Å; G339-S341 VanDerWaalsContact O-N 3.15Å
340	Q	61.9	Low	81	Confident	181 Å²	181	32.1 Å²	32.1	85%	0.846	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-70.6	-4.4	-179.3	-64.3	-177.5	-3.7	0	0	114.1
341	S	74.7	Confident	81.3	Confident	42 Å²	42	30.7 Å²	30.7	29%	0.294	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-86.8	-17.7	-173.7	79	0	0	0	0	113.8	N265 A338 G339	N265-S341 WeakPolarHBondContact CB-O 3.3Å; N265-S341 PolarHBondContact N-O 3.29Å; N265-S341 VanDerWaalsContact N-O 3.09Å; N265-S341 PolarHBondContact ND2-O 3.26Å; N265-S341 VanDerWaalsContact ND2-O 3.13Å; A338-S341 PolarHBondContact O-N 3.35Å; A338-S341 PolarHBondContact O-OG 2.98Å; G339-S341 PolarHBondContact O-N 3.38Å; G339-S341 VanDerWaalsContact O-N 3.15Å
342	V	85.9	Confident	81.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121	-179.5	178	0	0	0	0	109.6	N265 I267 F326 A338 F344 V345 S383	N265-V342 HydrophobicContact CB-CG2 4.25Å; I267-V342 HydrophobicContact CB-CG1 4.47Å; I267-V342 HydrophobicContact CD1-CB 4.44Å; I267-V342 HydrophobicContact CD1-CG1 3.9Å; I267-V342 HydrophobicContact CD1-CG2 3.98Å; I267-V342 HydrophobicContact CG1-CG1 3.85Å; I267-V342 HydrophobicContact CG1-CG2 4.1Å; F326-V342 HydrophobicContact CE2-CG2 4.41Å; A338-V342 HydrophobicContact CB-CG2 4.08Å; A338-V342 PolarHBondContact O-N 2.99Å; V342-F344 WeakPolarHBondContact CG1-O 3.46Å; V342-V345 HydrophobicContact CG1-CG2 4.29Å; V342-S383 WeakPolarHBondContact O-CB 3.2Å; V342-S383 PolarHBondContact O-N 3.18Å; V342-S383 PolarHBondContact O-OG 3Å; V342-S383 VanDerWaalsContact O-OG 3.09Å
343	N	89.9	Confident	82.3	Confident	42 Å²	42	28 Å²	28	23%	0.225	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-14.6	-179.7	-67.9	71	0	0	0	112.4	G264 N265 C382 G386 K387	G264-N343 VanDerWaalsContact CA-OD1 3.27Å; G264-N343 WeakPolarHBondContact CA-OD1 3.36Å; N265-N343 PolarHBondContact O-N 2.87Å; N265-N343 VanDerWaalsContact O-N 3.1Å; N343-C382 PolarHBondContact O-SG 2.95Å; N343-G386 CarbonylContact O-C 3.47Å; N343-G386 WeakPolarHBondContact O-CA 3.43Å; N343-K387 PolarHBondContact O-N 3.25Å
344	F	93.2	Very high	82.8	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.5	-176.4	-52.5	-76.3	0	0	0	110.8	I257 E262 N265 V266 I267 V342 K387 F389	I257-F344 HydrophobicContact CD1-CB 4.35Å; I257-F344 HydrophobicContact CG2-CB 4.36Å; I257-F344 HydrophobicContact CG2-CD1 4.08Å; I257-F344 HydrophobicContact CG2-CD2 3.85Å; I257-F344 HydrophobicContact CG2-CE1 4.36Å; I257-F344 HydrophobicContact CG2-CE2 4.16Å; I257-F344 HydrophobicContact CG2-CG 3.8Å; I257-F344 HydrophobicContact CG2-CZ 4.4Å; E262-F344 HydrophobicContact CB-CE2 4.27Å; E262-F344 HydrophobicContact CB-CZ 3.68Å; E262-F344 WeakPolarHBondContact OE2-CE1 2.95Å; E262-F344 WeakPolarHBondContact OE2-CZ 3.17Å; N265-F344 PolarHBondContact O-N 3.15Å; V266-F344 CarbonylContact C-O 3.44Å; V266-F344 VanDerWaalsContact CA-O 3.32Å; V266-F344 WeakPolarHBondContact CA-O 3.3Å; V266-F344 HydrophobicContact CB-CB 4.37Å; V266-F344 HydrophobicContact CG1-CB 4.07Å; V266-F344 HydrophobicContact CG2-CB 4.07Å; V266-F344 HydrophobicContact CG2-CD2 4.13Å; V266-F344 HydrophobicContact CG2-CG 4.48Å; I267-F344 PolarHBondContact N-O 3.03Å; V342-F344 WeakPolarHBondContact CG1-O 3.46Å; F344-K387 WeakPolarHBondContact CA-O 3.37Å; F344-K387 HydrophobicContact CD1-CB 4.27Å; F344-F389 AromaticContact CD1-CE2 3.98Å; F344-F389 HydrophobicContact CD1-CE2 3.98Å
345	V	94.4	Very high	84	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.9	169.6	173.5	0	0	0	0	107.9	I267 F269 V342 C382 K387 C388 F389	I267-V345 HydrophobicContact CB-CG2 4.32Å; I267-V345 CarbonylContact O-C 3.07Å; I267-V345 WeakPolarHBondContact O-CA 3.37Å; F269-V345 HydrophobicContact CD2-CG1 4.1Å; F269-V345 HydrophobicContact CE2-CG1 4.13Å; V342-V345 HydrophobicContact CG1-CG2 4.29Å; V345-C382 HydrophobicContact CB-CB 4.48Å; V345-C382 HydrophobicContact CG2-CB 3.69Å; V345-K387 PolarHBondContact N-O 2.73Å; V345-C388 HydrophobicContact CB-CB 4.43Å; V345-C388 CarbonylContact O-C 3.49Å; V345-C388 WeakPolarHBondContact O-CA 3.2Å; V345-F389 PolarHBondContact O-N 2.88Å
346	I	95.8	Very high	84.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111	169.7	-55.9	179.2	0	0	0	107.1	A250 L253 L254 I257 V266 I267 V268 F269 L391	A250-I346 HydrophobicContact CB-CG2 4.01Å; L253-I346 HydrophobicContact CB-CD1 4.31Å; L253-I346 HydrophobicContact CD2-CD1 4.18Å; L253-I346 HydrophobicContact CD2-CG1 4.11Å; L253-I346 HydrophobicContact CD2-CG2 4.16Å; L253-I346 HydrophobicContact CG-CD1 4.08Å; L253-I346 HydrophobicContact CG-CG1 4.49Å; L254-I346 HydrophobicContact CB-CD1 3.95Å; I257-I346 HydrophobicContact CD1-CD1 3.89Å; I257-I346 HydrophobicContact CD1-CG1 4.01Å; V266-I346 HydrophobicContact CG1-CD1 4.21Å; V266-I346 HydrophobicContact CG1-CG1 4.24Å; I267-I346 PolarHBondContact O-N 2.96Å; V268-I346 HydrophobicContact CB-CB 4.49Å; V268-I346 HydrophobicContact CG1-CB 4.19Å; V268-I346 HydrophobicContact CG1-CG2 4.31Å; V268-I346 HydrophobicContact CG2-CB 4.29Å; V268-I346 HydrophobicContact CG2-CD1 4.04Å; V268-I346 HydrophobicContact CG2-CG1 4.44Å; F269-I346 PolarHBondContact N-O 2.73Å; I346-L391 HydrophobicContact CG2-CD1 3.83Å; I346-L391 HydrophobicContact CG2-CG 4.16Å
347	D	95.3	Very high	85.9	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.1	179.7	-177.5	12	0	0	0	110.3	G349 R378 F389 R390 L391 Y392	D347-G349 PolarHBondContact O-N 2.98Å; D347-G349 PolarHBondContact OD1-N 3.29Å; D347-R378 WeakPolarHBondContact OD1-CD 3.41Å; D347-R378 IonicContact OD1-CZ 2.92Å; D347-R378 IonicContact OD1-NE 3.8Å; D347-R378 IonicContact OD1-NH1 3.73Å; D347-R378 PolarHBondContact OD1-NH1 3.04Å; D347-F389 PolarHBondContact N-O 2.92Å; D347-R390 HydrophobicContact CB-CG 4.42Å; D347-L391 PolarHBondContact O-N 2.91Å; D347-Y392 HydrophobicContact CB-CE1 4.3Å; D347-Y392 WeakPolarHBondContact O-CE1 3.04Å; D347-Y392 PolarHBondContact OD2-OH 3.11Å
348	T	94.6	Very high	86.8	Confident	5 Å²	5	31.4 Å²	31.4	3%	0.031	17%	0.165	C	C	.	.			trans	-74.3	-14.6	177.7	54.7	0	0	0	0	113.3	Y246 A250 F269 L270 V350 L391	Y246-T348 HydrophobicContact CD2-CG2 3.8Å; Y246-T348 HydrophobicContact CG-CG2 4.46Å; A250-T348 HydrophobicContact CB-CG2 3.93Å; F269-T348 WeakPolarHBondContact O-CB 2.97Å; F269-T348 WeakPolarHBondContact O-CG2 3.24Å; F269-T348 PolarHBondContact O-OG1 3.32Å; L270-T348 HydrophobicContact CD2-CG2 4.24Å; T348-V350 PolarHBondContact O-N 3.43Å; T348-L391 HydrophobicContact CG2-CD1 4.14Å
349	G	93.1	Very high	88.1	Confident	4 Å²	4	40 Å²	40	4%	0.041	20%	0.198	C	C	.	.			trans	73.5	6.4	177	0	0	0	0	0	115.3	D347 P369 I370	D347-G349 PolarHBondContact O-N 2.98Å; D347-G349 PolarHBondContact OD1-N 3.29Å; G349-P369 WeakPolarHBondContact O-CA 3.45Å; G349-I370 PolarHBondContact O-N 3.19Å
350	V	92.8	Very high	89.3	Confident	28 Å²	28	39.4 Å²	39.4	17%	0.17	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	154.5	-178.3	-67.3	0	0	0	0	111.4	Y246 A271 T348 L367 Q368	Y246-V350 HydrophobicContact CD1-CG2 3.83Å; Y246-V350 HydrophobicContact CD2-CG2 3.96Å; Y246-V350 HydrophobicContact CE1-CG2 3.97Å; Y246-V350 HydrophobicContact CE2-CG2 4.13Å; Y246-V350 HydrophobicContact CG-CG2 3.84Å; A271-V350 HydrophobicContact CB-CG2 4.01Å; T348-V350 PolarHBondContact O-N 3.43Å; V350-L367 HydrophobicContact CB-CD1 4.1Å; V350-L367 HydrophobicContact CG2-CD1 4.3Å; V350-Q368 CarbonylContact C-O 3.58Å; V350-Q368 WeakPolarHBondContact CA-O 3.41Å
351	Q	92.8	Very high	90.7	Very high	16 Å²	16	33.9 Å²	33.9	8%	0.075	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.7	174.3	62	-176.1	-7.8	0	0	109.8	H330 Q368 I370	H330-Q351 HydrophobicContact CB-CB 4.22Å; Q351-Q368 HydrophobicContact CG-CG 4.05Å; Q351-Q368 PolarHBondContact N-O 3.36Å; Q351-Q368 PolarHBondContact O-N 2.87Å; Q351-Q368 VanDerWaalsContact O-O 3.11Å; Q351-I370 HydrophobicContact CB-CG2 4.04Å; Q351-I370 HydrophobicContact CG-CG2 4Å
352	K	91.2	Very high	91.4	Very high	54 Å²	54	32 Å²	32	24%	0.235	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.2	172.7	-156	174.5	-178.2	-142.9	0	107.6	A271 E365 V366 L367	A271-K352 HydrophobicContact CB-CB 4.39Å; A271-K352 VanDerWaalsContact O-CB 3.25Å; A271-K352 WeakPolarHBondContact O-CB 3.47Å; A271-K352 PolarHBondContact O-N 3.2Å; K352-E365 VanDerWaalsContact CD-CD 3.47Å; K352-E365 HydrophobicContact CD-CG 3.95Å; K352-E365 WeakPolarHBondContact CD-OE1 3.48Å; K352-E365 WeakPolarHBondContact CE-OE1 3.12Å; K352-E365 WeakPolarHBondContact CE-OE2 3.32Å; K352-E365 HydrophobicContact CG-CG 3.56Å; K352-E365 VanDerWaalsContact CG-OE1 3.25Å; K352-E365 WeakPolarHBondContact CG-OE1 3.38Å; K352-E365 IonicContact NZ-OE1 3.17Å; K352-E365 PolarHBondContact NZ-OE1 2.8Å; K352-E365 VanDerWaalsContact NZ-OE1 3.14Å; K352-E365 IonicContact NZ-OE2 3.97Å; K352-E365 PolarHBondContact NZ-OE2 3.3Å; K352-V366 WeakPolarHBondContact CA-O 3.48Å; K352-L367 HydrophobicContact CB-CD1 4.45Å
353	K	89.1	Confident	91.6	Very high	28 Å²	28	35.4 Å²	35.4	12%	0.122	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.1	-173.8	-173.1	-175	174.8	-169	0	110.1	I355 E365 V366 Q368 D408	K353-I355 HydrophobicContact CD-CG1 4.38Å; K353-I355 HydrophobicContact CG-CG1 4.41Å; K353-E365 WeakPolarHBondContact O-CA 3.39Å; K353-V366 PolarHBondContact N-O 3.21Å; K353-V366 PolarHBondContact O-N 3.2Å; K353-Q368 VanDerWaalsContact CD-NE2 3.31Å; K353-D408 IonicContact NZ-OD2 3.72Å; K353-D408 PolarHBondContact NZ-OD2 2.79Å
354	M	88.5	Confident	91.6	Very high	94 Å²	94	34.7 Å²	34.7	46%	0.463	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.7	168.1	-68	-61.9	-78	0	0	109.5	F363 E365	M354-F363 HydrophobicContact CE-CB 3.51Å; M354-F363 HydrophobicContact CE-CG 4.35Å; M354-E365 HydrophobicContact SD-CB 3.58Å; M354-E365 VanDerWaalsContact SD-CB 3.58Å; M354-E365 HydrophobicContact SD-CG 3.74Å
355	I	91.8	Very high	91.5	Very high	37 Å²	37	37.7 Å²	37.7	19%	0.19	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.9	-179.3	-60.2	178.2	0	0	0	108.1	K353 F363 S364 V366 D408	K353-I355 HydrophobicContact CD-CG1 4.38Å; K353-I355 HydrophobicContact CG-CG1 4.41Å; I355-F363 CarbonylContact O-C 3.58Å; I355-F363 WeakPolarHBondContact O-CA 3.29Å; I355-S364 PolarHBondContact N-O 3.4Å; I355-S364 PolarHBondContact O-N 2.9Å; I355-V366 HydrophobicContact CD1-CB 3.9Å; I355-V366 HydrophobicContact CD1-CG1 4.47Å; I355-V366 HydrophobicContact CD1-CG2 3.94Å; I355-D408 HydrophobicContact CG1-CB 4.48Å; I355-D408 HydrophobicContact CG2-CB 4.07Å
356	Y	92.1	Very high	91.3	Very high	17 Å²	17	40.3 Å²	40.3	7%	0.067	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.8	174.9	-174	-107.2	0	0	0	110.5	P358 R361 F363 D408 N410 Q442	Y356-P358 HydrophobicContact CD1-CG 4.24Å; Y356-P358 HydrophobicContact CE1-CB 4.41Å; Y356-P358 HydrophobicContact CE1-CG 4.33Å; Y356-R361 WeakPolarHBondContact OH-CA 3.35Å; Y356-F363 HydrophobicContact CD2-CD1 4.01Å; Y356-F363 HydrophobicContact CD2-CD2 4.33Å; Y356-F363 AromaticContact CD2-CE1 3.8Å; Y356-F363 HydrophobicContact CD2-CE1 3.8Å; Y356-F363 HydrophobicContact CD2-CE2 4.12Å; Y356-F363 HydrophobicContact CD2-CG 4.28Å; Y356-F363 AromaticContact CD2-CZ 3.85Å; Y356-F363 HydrophobicContact CD2-CZ 3.85Å; Y356-F363 HydrophobicContact CG-CD1 4.47Å; Y356-F363 HydrophobicContact CG-CE1 4.19Å; Y356-D408 WeakPolarHBondContact CB-O 3.32Å; Y356-D408 PolarHBondContact N-O 2.98Å; Y356-N410 HydrophobicContact CD1-CB 4.16Å; Y356-N410 HydrophobicContact CD2-CB 3.77Å; Y356-N410 HydrophobicContact CE1-CB 4.23Å; Y356-N410 HydrophobicContact CE2-CB 3.84Å; Y356-N410 HydrophobicContact CG-CB 3.92Å; Y356-Q442 PolarHBondContact OH-NE2 3.35Å; Y356-Q442 PolarHBondContact OH-OE1 3.42Å
357	N	91.6	Very high	91.1	Very high	62 Å²	62	44.6 Å²	44.6	33%	0.332	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110	173	-176.1	-46.3	0	0	0	109.4	R359 A360 R361 A362	N357-R359 VanDerWaalsContact C-N 3.29Å; N357-R359 PolarHBondContact O-N 2.98Å; N357-R359 WeakPolarHBondContact OD1-CB 3.26Å; N357-R359 PolarHBondContact OD1-N 3.41Å; N357-A360 HydrophobicContact CB-CB 4.1Å; N357-A360 PolarHBondContact O-N 3.43Å; N357-A360 PolarHBondContact OD1-N 2.97Å; N357-R361 WeakPolarHBondContact O-CA 3.22Å; N357-R361 PolarHBondContact O-N 2.97Å; N357-A362 PolarHBondContact N-O 3.48Å; N357-A362 PolarHBondContact O-N 2.82Å
358	P	91	Very high	90.9	Very high	26 Å²	26	47 Å²	47	17%	0.169	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.8	-178.2	-26.5	35.2	0	0	0	114.3	Y356 R361 E438 Q442	Y356-P358 HydrophobicContact CD1-CG 4.24Å; Y356-P358 HydrophobicContact CE1-CB 4.41Å; Y356-P358 HydrophobicContact CE1-CG 4.33Å; P358-R361 WeakPolarHBondContact O-CG 3.19Å; P358-R361 PolarHBondContact O-N 3.48Å; P358-E438 HydrophobicContact CB-CG 4.44Å; P358-Q442 HydrophobicContact CB-CB 4.13Å; P358-Q442 HydrophobicContact CB-CG 4.29Å
359	R	87.9	Confident	90.9	Very high	180 Å²	180	50 Å²	50	68%	0.679	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-43.4	179.2	-56.3	-171.7	-176.2	171	4.9	112.3	N357 R361 E438	N357-R359 VanDerWaalsContact C-N 3.29Å; N357-R359 PolarHBondContact O-N 2.98Å; N357-R359 WeakPolarHBondContact OD1-CB 3.26Å; N357-R359 PolarHBondContact OD1-N 3.41Å; R359-R361 VanDerWaalsContact C-N 3.26Å; R359-E438 WeakPolarHBondContact CD-OE1 3.26Å; R359-E438 WeakPolarHBondContact CG-OE1 3.3Å; R359-E438 IonicContact CZ-OE1 3.58Å; R359-E438 IonicContact CZ-OE2 3.34Å; R359-E438 IonicContact NE-OE1 2.77Å; R359-E438 PolarHBondContact NE-OE1 3.14Å; R359-E438 IonicContact NE-OE2 2.77Å; R359-E438 PolarHBondContact NE-OE2 2.85Å; R359-E438 IonicContact NH2-OE1 2.65Å; R359-E438 IonicContact NH2-OE2 2.99Å; R359-E438 PolarHBondContact NH2-OE2 3.48Å
360	A	88.5	Confident	90.9	Very high	6 Å²	6	49.9 Å²	49.9	5%	0.05	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-16.7	177.9	0	0	0	0	0	112.1	N357 A362 N626 L658	N357-A360 HydrophobicContact CB-CB 4.1Å; N357-A360 PolarHBondContact O-N 3.43Å; N357-A360 PolarHBondContact OD1-N 2.97Å; A360-A362 HydrophobicContact CB-CB 4.1Å; A360-A362 PolarHBondContact O-N 2.89Å; A360-N626 PolarHBondContact O-ND2 2.84Å; A360-L658 HydrophobicContact CB-CD2 4.36Å
361	R	89.9	Confident	90.9	Very high	64 Å²	64	48.7 Å²	48.7	24%	0.242	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	42.1	-168.9	-58.8	-176	-169.8	-109.9	-5.8	112.1	Y356 N357 P358 R359 Q442 E445 E446	Y356-R361 WeakPolarHBondContact OH-CA 3.35Å; N357-R361 WeakPolarHBondContact O-CA 3.22Å; N357-R361 PolarHBondContact O-N 2.97Å; P358-R361 WeakPolarHBondContact O-CG 3.19Å; P358-R361 PolarHBondContact O-N 3.48Å; R359-R361 VanDerWaalsContact C-N 3.26Å; R361-Q442 HydrophobicContact CG-CG 4.41Å; R361-E445 IonicContact CZ-OE2 3.59Å; R361-E445 IonicContact NH2-OE2 3.94Å; R361-E445 PolarHBondContact NH2-OE2 3.12Å; R361-E446 IonicContact NH1-OE2 2.78Å; R361-E446 PolarHBondContact NH1-OE2 2.82Å
362	A	91	Very high	90.8	Very high	3 Å²	3	50.7 Å²	50.7	3%	0.025	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	150.9	-169.1	0	0	0	0	0	111.4	N357 A360 Y656 L658	N357-A362 PolarHBondContact N-O 3.48Å; N357-A362 PolarHBondContact O-N 2.82Å; A360-A362 HydrophobicContact CB-CB 4.1Å; A360-A362 PolarHBondContact O-N 2.89Å; A362-Y656 HydrophobicContact CB-CD1 3.52Å; A362-Y656 HydrophobicContact CB-CE1 4.26Å; A362-Y656 HydrophobicContact CB-CG 4.17Å; A362-Y656 WeakPolarHBondContact CB-O 3.37Å; A362-L658 HydrophobicContact CB-CB 4.38Å
363	F	89.8	Confident	90.8	Very high	72 Å²	72	48.2 Å²	48.2	32%	0.316	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	142.8	173.1	-64.5	-82.2	0	0	0	111.1	M354 I355 Y356 N410 L658	M354-F363 HydrophobicContact CE-CB 3.51Å; M354-F363 HydrophobicContact CE-CG 4.35Å; I355-F363 CarbonylContact O-C 3.58Å; I355-F363 WeakPolarHBondContact O-CA 3.29Å; Y356-F363 HydrophobicContact CD2-CD1 4.01Å; Y356-F363 HydrophobicContact CD2-CD2 4.33Å; Y356-F363 AromaticContact CD2-CE1 3.8Å; Y356-F363 HydrophobicContact CD2-CE1 3.8Å; Y356-F363 HydrophobicContact CD2-CE2 4.12Å; Y356-F363 HydrophobicContact CD2-CG 4.28Å; Y356-F363 AromaticContact CD2-CZ 3.85Å; Y356-F363 HydrophobicContact CD2-CZ 3.85Å; Y356-F363 HydrophobicContact CG-CD1 4.47Å; Y356-F363 HydrophobicContact CG-CE1 4.19Å; F363-N410 HydrophobicContact CE1-CB 4.49Å; F363-N410 HydrophobicContact CZ-CB 3.89Å; F363-L658 WeakPolarHBondContact O-CB 3.38Å; F363-L658 PolarHBondContact O-N 3.32Å
364	S	90.2	Very high	90.9	Very high	26 Å²	26	47.5 Å²	47.5	18%	0.182	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.5	168	-175.1	0	0	0	0	109.6	I355 S659	I355-S364 PolarHBondContact N-O 3.4Å; I355-S364 PolarHBondContact O-N 2.9Å; S364-S659 WeakPolarHBondContact CA-OG 3.39Å; S364-S659 PolarHBondContact OG-OG 2.85Å
365	E	90.1	Very high	91.1	Very high	70 Å²	70	43 Å²	43	33%	0.327	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.2	174.1	-161.2	178.5	-171.4	0	0	109.9	K352 K353 M354 S659	K352-E365 VanDerWaalsContact CD-CD 3.47Å; K352-E365 HydrophobicContact CD-CG 3.95Å; K352-E365 WeakPolarHBondContact CD-OE1 3.48Å; K352-E365 WeakPolarHBondContact CE-OE1 3.12Å; K352-E365 WeakPolarHBondContact CE-OE2 3.32Å; K352-E365 HydrophobicContact CG-CG 3.56Å; K352-E365 VanDerWaalsContact CG-OE1 3.25Å; K352-E365 WeakPolarHBondContact CG-OE1 3.38Å; K352-E365 IonicContact NZ-OE1 3.17Å; K352-E365 PolarHBondContact NZ-OE1 2.8Å; K352-E365 VanDerWaalsContact NZ-OE1 3.14Å; K352-E365 IonicContact NZ-OE2 3.97Å; K352-E365 PolarHBondContact NZ-OE2 3.3Å; K353-E365 WeakPolarHBondContact O-CA 3.39Å; M354-E365 HydrophobicContact SD-CB 3.58Å; M354-E365 VanDerWaalsContact SD-CB 3.58Å; M354-E365 HydrophobicContact SD-CG 3.74Å; E365-S659 PolarHBondContact N-OG 2.84Å
366	V	90.6	Very high	91	Very high	54 Å²	54	43.5 Å²	43.5	33%	0.327	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.4	-176.2	-177.6	0	0	0	0	109.7	K352 K353 I355	K352-V366 WeakPolarHBondContact CA-O 3.48Å; K353-V366 PolarHBondContact N-O 3.21Å; K353-V366 PolarHBondContact O-N 3.2Å; I355-V366 HydrophobicContact CD1-CB 3.9Å; I355-V366 HydrophobicContact CD1-CG1 4.47Å; I355-V366 HydrophobicContact CD1-CG2 3.94Å
367	L	92.3	Very high	90.9	Very high	90 Å²	90	43 Å²	43	47%	0.471	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.5	169.8	-177.1	71.1	0	0	0	109	Y246 A271 V350 K352	Y246-L367 HydrophobicContact CE1-CD1 4.48Å; Y246-L367 HydrophobicContact CE1-CD2 4.13Å; A271-L367 HydrophobicContact CB-CD1 3.59Å; V350-L367 HydrophobicContact CB-CD1 4.1Å; V350-L367 HydrophobicContact CG2-CD1 4.3Å; K352-L367 HydrophobicContact CB-CD1 4.45Å
368	Q	91.2	Very high	90.9	Very high	50 Å²	50	40 Å²	40	23%	0.234	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159.9	-179.1	63	179.3	4.4	0	0	112.2	V350 Q351 K353	V350-Q368 CarbonylContact C-O 3.58Å; V350-Q368 WeakPolarHBondContact CA-O 3.41Å; Q351-Q368 HydrophobicContact CG-CG 4.05Å; Q351-Q368 PolarHBondContact N-O 3.36Å; Q351-Q368 PolarHBondContact O-N 2.87Å; Q351-Q368 VanDerWaalsContact O-O 3.11Å; K353-Q368 VanDerWaalsContact CD-NE2 3.31Å
369	P	92.7	Very high	90.8	Very high	68 Å²	68	40.3 Å²	40.3	44%	0.442	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	153.6	169.8	-20.6	33.3	0	0	0	112.3	G349 P398	G349-P369 WeakPolarHBondContact O-CA 3.45Å; P369-P398 HydrophobicContact CB-CG 4.35Å
370	I	93.4	Very high	90.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-78	169.8	168.9	67.1	177.7	0	0	0	111.2	G349 Q351 Q374 A375 L397	G349-I370 PolarHBondContact O-N 3.19Å; Q351-I370 HydrophobicContact CB-CG2 4.04Å; Q351-I370 HydrophobicContact CG-CG2 4Å; I370-Q374 HydrophobicContact CB-CB 4.08Å; I370-Q374 HydrophobicContact CD1-CB 4.33Å; I370-A375 HydrophobicContact CD1-CB 3.87Å; I370-L397 HydrophobicContact CG1-CD2 4.03Å
371	S	92.8	Very high	90.7	Very high	4 Å²	4	33 Å²	33	3%	0.028	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-82.5	164.1	169.4	71.4	0	0	0	0	112.5	C373 Q374 A375 M399 E401 T402	S371-C373 VanDerWaalsContact C-N 3.28Å; S371-C373 PolarHBondContact O-N 2.87Å; S371-C373 PolarHBondContact OG-N 3.48Å; S371-Q374 PolarHBondContact O-N 3.39Å; S371-Q374 WeakPolarHBondContact OG-CG 3.39Å; S371-Q374 PolarHBondContact OG-N 3.3Å; S371-Q374 VanDerWaalsContact OG-N 3.1Å; S371-Q374 PolarHBondContact OG-OE1 3.01Å; S371-A375 PolarHBondContact O-N 2.89Å; S371-M399 WeakPolarHBondContact CA-O 3.21Å; S371-E401 VanDerWaalsContact CB-C 3.46Å; S371-E401 WeakPolarHBondContact CB-O 3.32Å; S371-T402 PolarHBondContact OG-N 3.47Å
372	Q	91.8	Very high	90.5	Very high	57 Å²	57	30.1 Å²	30.1	27%	0.266	16%	0.158	S	C	.	.	H	α-helix	trans	-59.1	-41.4	169.8	-174.9	62.1	45.5	0	0	111.3	Q374 A375 D376 M399	Q372-Q374 VanDerWaalsContact C-N 3.35Å; Q372-Q374 PolarHBondContact O-N 2.83Å; Q372-A375 WeakPolarHBondContact O-CB 3.48Å; Q372-A375 PolarHBondContact O-N 3.33Å; Q372-D376 PolarHBondContact NE2-OD1 3.23Å; Q372-D376 PolarHBondContact NE2-OD2 2.9Å; Q372-D376 WeakPolarHBondContact O-CB 3.42Å; Q372-D376 VanDerWaalsContact O-CG 3.28Å; Q372-D376 PolarHBondContact O-N 3.19Å; Q372-M399 PolarHBondContact N-O 3.11Å
373	C	90.7	Very high	90.3	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.02	16%	0.159	C	C	.	.	H	α-helix	trans	-54.2	-50	175	-171.5	0	0	0	0	111.4	A211 S371 D376 V377 A400	A211-C373 HydrophobicContact CB-CB 3.94Å; S371-C373 VanDerWaalsContact C-N 3.28Å; S371-C373 PolarHBondContact O-N 2.87Å; S371-C373 PolarHBondContact OG-N 3.48Å; C373-D376 PolarHBondContact O-N 3.03Å; C373-V377 WeakPolarHBondContact O-CG2 3.48Å; C373-V377 PolarHBondContact O-N 2.94Å; C373-A400 WeakPolarHBondContact CB-O 3.09Å; C373-A400 PolarHBondContact N-O 2.89Å
374	Q	92.1	Very high	90	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.056	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-43.4	177.2	-69.1	178.1	-82.1	0	0	112	E333 I370 S371 Q372 D376 V377 R378	E333-Q374 PolarHBondContact OE1-NE2 2.67Å; E333-Q374 WeakPolarHBondContact OE2-CG 3.4Å; I370-Q374 HydrophobicContact CB-CB 4.08Å; I370-Q374 HydrophobicContact CD1-CB 4.33Å; S371-Q374 PolarHBondContact O-N 3.39Å; S371-Q374 WeakPolarHBondContact OG-CG 3.39Å; S371-Q374 PolarHBondContact OG-N 3.3Å; S371-Q374 VanDerWaalsContact OG-N 3.1Å; S371-Q374 PolarHBondContact OG-OE1 3.01Å; Q372-Q374 VanDerWaalsContact C-N 3.35Å; Q372-Q374 PolarHBondContact O-N 2.83Å; Q374-D376 PolarHBondContact O-N 3Å; Q374-V377 WeakPolarHBondContact O-CB 3.49Å; Q374-V377 PolarHBondContact O-N 3.4Å; Q374-R378 VanDerWaalsContact O-CG 3.28Å; Q374-R378 WeakPolarHBondContact O-CG 3.32Å; Q374-R378 PolarHBondContact O-N 3.25Å
375	A	92.3	Very high	89.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-33.3	176.4	0	0	0	0	0	112.2	I370 S371 Q372 K379 R390 Y392 L397	I370-A375 HydrophobicContact CD1-CB 3.87Å; S371-A375 PolarHBondContact O-N 2.89Å; Q372-A375 WeakPolarHBondContact O-CB 3.48Å; Q372-A375 PolarHBondContact O-N 3.33Å; A375-K379 WeakPolarHBondContact O-CB 3.25Å; A375-K379 PolarHBondContact O-N 3.14Å; A375-R390 PolarHBondContact O-NH2 3.05Å; A375-Y392 WeakPolarHBondContact CB-OH 3.46Å; A375-L397 HydrophobicContact CB-CD1 3.56Å
376	D	90	Very high	89.9	Confident	48 Å²	48	30.6 Å²	30.6	26%	0.257	18%	0.182	S	C	.	.	H	α-helix	trans	-78.3	-37.2	177.5	-67.1	-24.1	0	0	0	111.9	Q372 C373 Q374 K379 H380 R390	Q372-D376 PolarHBondContact NE2-OD1 3.23Å; Q372-D376 PolarHBondContact NE2-OD2 2.9Å; Q372-D376 WeakPolarHBondContact O-CB 3.42Å; Q372-D376 VanDerWaalsContact O-CG 3.28Å; Q372-D376 PolarHBondContact O-N 3.19Å; C373-D376 PolarHBondContact O-N 3.03Å; Q374-D376 PolarHBondContact O-N 3Å; D376-K379 PolarHBondContact O-N 3.35Å; D376-H380 PolarHBondContact O-CD2 3.48Å; D376-H380 PolarHBondContact O-N 2.9Å; D376-R390 IonicContact OD1-CZ 2.72Å; D376-R390 IonicContact OD1-NH2 3.84Å; D376-R390 PolarHBondContact OD1-NH2 2.9Å
377	V	88.8	Confident	90	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.03	18%	0.178	C	C	.	.	H	α-helix	trans	-53.2	-55.8	167.1	176.3	0	0	0	0	109.9	M209 E333 C373 Q374 K379 H380 L381	M209-V377 HydrophobicContact CE-CG2 3.93Å; M209-V377 HydrophobicContact SD-CB 4.42Å; M209-V377 HydrophobicContact SD-CG2 3.17Å; M209-V377 WeakPolarHBondContact SD-CG2 3.42Å; E333-V377 HydrophobicContact CB-CG1 4.01Å; C373-V377 WeakPolarHBondContact O-CG2 3.48Å; C373-V377 PolarHBondContact O-N 2.94Å; Q374-V377 WeakPolarHBondContact O-CB 3.49Å; Q374-V377 PolarHBondContact O-N 3.4Å; V377-K379 VanDerWaalsContact C-N 3.31Å; V377-K379 PolarHBondContact O-N 3.45Å; V377-H380 PolarHBondContact O-N 3.43Å; V377-L381 PolarHBondContact O-N 2.93Å
378	R	91.3	Very high	90.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-41.8	-177.9	-66.4	176	-176.4	-162.5	-2.9	112	F269 E333 D347 Q374 H380 L381	F269-R378 HydrophobicContact CD1-CG 4.29Å; F269-R378 HydrophobicContact CD2-CB 4.06Å; F269-R378 HydrophobicContact CD2-CG 3.78Å; F269-R378 HydrophobicContact CE1-CG 4.12Å; F269-R378 HydrophobicContact CE2-CB 3.75Å; F269-R378 HydrophobicContact CE2-CG 3.57Å; F269-R378 HydrophobicContact CG-CG 4.13Å; F269-R378 HydrophobicContact CZ-CB 4.33Å; F269-R378 HydrophobicContact CZ-CG 3.76Å; E333-R378 HydrophobicContact CG-CG 4.21Å; E333-R378 IonicContact OE1-CZ 2.89Å; E333-R378 IonicContact OE1-NE 3.72Å; E333-R378 PolarHBondContact OE1-NE 2.92Å; E333-R378 IonicContact OE1-NH2 4Å; E333-R378 PolarHBondContact OE1-NH2 3Å; D347-R378 WeakPolarHBondContact OD1-CD 3.41Å; D347-R378 IonicContact OD1-CZ 2.92Å; D347-R378 IonicContact OD1-NE 3.8Å; D347-R378 IonicContact OD1-NH1 3.73Å; D347-R378 PolarHBondContact OD1-NH1 3.04Å; Q374-R378 VanDerWaalsContact O-CG 3.28Å; Q374-R378 WeakPolarHBondContact O-CG 3.32Å; Q374-R378 PolarHBondContact O-N 3.25Å; R378-H380 VanDerWaalsContact C-N 3.33Å; R378-H380 PolarHBondContact O-N 3.36Å; R378-L381 WeakPolarHBondContact O-CB 3.28Å; R378-L381 PolarHBondContact O-N 3.33Å
379	K	90.5	Very high	90.4	Very high	33 Å²	33	25.5 Å²	25.5	14%	0.143	15%	0.151	C	C	.	.	H	α-helix	trans	-58.7	-44.3	175.5	175.1	-170.6	169.9	-170	0	111.5	S233 P234 V236 A375 D376 V377 L381 C382 C388	S233-K379 WeakPolarHBondContact OG-CE 3.48Å; S233-K379 PolarHBondContact OG-NZ 3.23Å; P234-K379 HydrophobicContact CG-CD 4.5Å; P234-K379 HydrophobicContact CG-CG 3.69Å; P234-K379 WeakPolarHBondContact CG-O 3.5Å; V236-K379 HydrophobicContact CG2-CD 3.74Å; V236-K379 HydrophobicContact CG2-CG 4.19Å; A375-K379 WeakPolarHBondContact O-CB 3.25Å; A375-K379 PolarHBondContact O-N 3.14Å; D376-K379 PolarHBondContact O-N 3.35Å; V377-K379 VanDerWaalsContact C-N 3.31Å; V377-K379 PolarHBondContact O-N 3.45Å; K379-L381 PolarHBondContact O-N 2.96Å; K379-C382 VanDerWaalsContact O-CB 3.24Å; K379-C382 WeakPolarHBondContact O-CB 3.42Å; K379-C382 PolarHBondContact O-N 3.37Å; K379-C382 VanDerWaalsContact O-N 3.11Å; K379-C388 HydrophobicContact CG-CB 4.33Å
380	H	86.5	Confident	90.5	Very high	32 Å²	32	22.5 Å²	22.5	15%	0.148	13%	0.131	C	C	.	.	H	α-helix	trans	-76.8	-2.2	-176.3	-74.3	-62.1	0	0	0	114.7	V77 A78 Q79 D376 V377 R378 C382	V77-H380 HydrophobicContact CB-CB 4.35Å; V77-H380 HydrophobicContact CG2-CB 4.35Å; A78-H380 HydrophobicContact CB-CB 4.2Å; Q79-H380 VanDerWaalsContact CD-O 3.29Å; Q79-H380 PolarHBondContact NE2-O 2.87Å; D376-H380 PolarHBondContact O-CD2 3.48Å; D376-H380 PolarHBondContact O-N 2.9Å; V377-H380 PolarHBondContact O-N 3.43Å; R378-H380 VanDerWaalsContact C-N 3.33Å; R378-H380 PolarHBondContact O-N 3.36Å; H380-C382 VanDerWaalsContact C-N 3.26Å
381	L	86.8	Confident	90.5	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-19.7	164.8	-58.5	178.2	0	0	0	112.7	A78 Q79 I267 F269 E333 V335 A338 V377 R378 K379	A78-L381 HydrophobicContact CB-CD2 4.44Å; Q79-L381 PolarHBondContact NE2-O 3.5Å; I267-L381 HydrophobicContact CD1-CB 4.07Å; I267-L381 HydrophobicContact CD1-CD1 4.14Å; F269-L381 HydrophobicContact CE2-CD1 3.89Å; F269-L381 HydrophobicContact CZ-CD1 3.49Å; F269-L381 VanDerWaalsContact CZ-CD1 3.49Å; E333-L381 WeakPolarHBondContact O-CD1 3.25Å; V335-L381 HydrophobicContact CB-CD2 4.45Å; A338-L381 HydrophobicContact CB-CB 4.36Å; A338-L381 HydrophobicContact CB-CD2 4.42Å; V377-L381 PolarHBondContact O-N 2.93Å; R378-L381 WeakPolarHBondContact O-CB 3.28Å; R378-L381 PolarHBondContact O-N 3.33Å; K379-L381 PolarHBondContact O-N 2.96Å
382	C	86.6	Confident	90.4	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.02	14%	0.137	C	C	.	.	S	Bend	trans	-80.5	137.7	176.7	-162.4	0	0	0	0	110.5	P234 N343 V345 K379 H380 K387	P234-C382 HydrophobicContact CB-CB 4.01Å; P234-C382 HydrophobicContact CG-CB 4.11Å; N343-C382 PolarHBondContact O-SG 2.95Å; V345-C382 HydrophobicContact CB-CB 4.48Å; V345-C382 HydrophobicContact CG2-CB 3.69Å; K379-C382 VanDerWaalsContact O-CB 3.24Å; K379-C382 WeakPolarHBondContact O-CB 3.42Å; K379-C382 PolarHBondContact O-N 3.37Å; K379-C382 VanDerWaalsContact O-N 3.11Å; H380-C382 VanDerWaalsContact C-N 3.26Å; C382-K387 PolarHBondContact SG-N 3.09Å
383	S	85.3	Confident	90.4	Very high	9 Å²	9	22.7 Å²	22.7	6%	0.063	13%	0.134	C	C	.	.			trans	-55.2	151.2	173.3	62.2	0	0	0	0	111.6	V342 A385 G386	V342-S383 WeakPolarHBondContact O-CB 3.2Å; V342-S383 PolarHBondContact O-N 3.18Å; V342-S383 PolarHBondContact O-OG 3Å; V342-S383 VanDerWaalsContact O-OG 3.09Å; S383-A385 PolarHBondContact O-N 3.31Å; S383-G386 WeakPolarHBondContact O-CA 3.33Å; S383-G386 PolarHBondContact O-N 3.26Å
384	P	84.4	Confident	90.1	Very high	70 Å²	70	29 Å²	29	46%	0.455	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-22.8	-177.8	-27.4	35	0	0	0	115.3
385	A	86.9	Confident	89.6	Confident	98 Å²	98	33.4 Å²	33.4	81%	0.81	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	1	176.2	0	0	0	0	0	113.5	S383	S383-A385 PolarHBondContact O-N 3.31Å
386	G	90.1	Very high	89	Confident	4 Å²	4	35.3 Å²	35.3	4%	0.041	22%	0.215	C	C	.	.	S	Bend	trans	-88.9	-177.4	-178.6	0	0	0	0	0	114	P234 E235 N343 S383	P234-G386 WeakPolarHBondContact CA-O 3.28Å; P234-G386 WeakPolarHBondContact CB-O 3.47Å; E235-G386 PolarHBondContact N-O 3.17Å; N343-G386 CarbonylContact O-C 3.47Å; N343-G386 WeakPolarHBondContact O-CA 3.43Å; S383-G386 WeakPolarHBondContact O-CA 3.33Å; S383-G386 PolarHBondContact O-N 3.26Å
387	K	93.9	Very high	88.7	Confident	57 Å²	57	34.3 Å²	34.3	25%	0.248	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.2	-178.3	-64.5	174.6	-177.1	159.2	0	111.1	E235 E262 N343 F344 V345 C382 F389	E235-K387 HydrophobicContact CB-CG 4.27Å; E235-K387 CarbonylContact O-C 3.55Å; E235-K387 WeakPolarHBondContact O-CA 3.4Å; E235-K387 WeakPolarHBondContact OE2-CE 3.31Å; E262-K387 IonicContact OE1-NZ 2.82Å; E262-K387 IonicContact OE2-NZ 3.28Å; N343-K387 PolarHBondContact O-N 3.25Å; F344-K387 WeakPolarHBondContact CA-O 3.37Å; F344-K387 HydrophobicContact CD1-CB 4.27Å; V345-K387 PolarHBondContact N-O 2.73Å; C382-K387 PolarHBondContact SG-N 3.09Å; K387-F389 HydrophobicContact CB-CD2 4.49Å; K387-F389 HydrophobicContact CB-CE2 3.85Å; K387-F389 HydrophobicContact CB-CZ 3.98Å; K387-F389 HydrophobicContact CD-CZ 4.05Å
388	C	95	Very high	88.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	111.2	171.7	-177.8	0	0	0	0	108.9	E235 V236 V237 V345 K379	E235-C388 PolarHBondContact O-N 3.15Å; V236-C388 WeakPolarHBondContact CA-O 3.15Å; V236-C388 HydrophobicContact CG2-CB 4.49Å; V237-C388 PolarHBondContact N-O 3.32Å; V345-C388 HydrophobicContact CB-CB 4.43Å; V345-C388 CarbonylContact O-C 3.49Å; V345-C388 WeakPolarHBondContact O-CA 3.2Å; K379-C388 HydrophobicContact CG-CB 4.33Å
389	F	95.6	Very high	88.1	Confident	30 Å²	30	42.6 Å²	42.6	13%	0.132	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.3	177.2	-59.9	-85.3	0	0	0	109.7	V237 L253 I257 F344 V345 D347 K387	V237-F389 HydrophobicContact CB-CD1 3.79Å; V237-F389 HydrophobicContact CB-CE1 4.16Å; V237-F389 HydrophobicContact CG1-CD1 4.12Å; V237-F389 HydrophobicContact CG1-CE1 4.4Å; V237-F389 HydrophobicContact CG2-CD1 4.25Å; V237-F389 HydrophobicContact CG2-CE1 4.15Å; V237-F389 CarbonylContact O-C 3.52Å; V237-F389 WeakPolarHBondContact O-CA 3.19Å; L253-F389 HydrophobicContact CD1-CD1 4.45Å; L253-F389 HydrophobicContact CD2-CB 3.52Å; L253-F389 HydrophobicContact CD2-CD1 4.12Å; L253-F389 HydrophobicContact CD2-CD2 4.25Å; L253-F389 HydrophobicContact CD2-CG 3.73Å; I257-F389 HydrophobicContact CD1-CD2 3.74Å; I257-F389 HydrophobicContact CD1-CE2 3.47Å; I257-F389 VanDerWaalsContact CD1-CE2 3.47Å; I257-F389 HydrophobicContact CD1-CZ 4.27Å; I257-F389 HydrophobicContact CG1-CE2 3.97Å; I257-F389 HydrophobicContact CG1-CZ 4.34Å; F344-F389 AromaticContact CD1-CE2 3.98Å; F344-F389 HydrophobicContact CD1-CE2 3.98Å; V345-F389 PolarHBondContact O-N 2.88Å; D347-F389 PolarHBondContact N-O 2.92Å; K387-F389 HydrophobicContact CB-CD2 4.49Å; K387-F389 HydrophobicContact CB-CE2 3.85Å; K387-F389 HydrophobicContact CB-CZ 3.98Å; K387-F389 HydrophobicContact CD-CZ 4.05Å
390	R	94.9	Very high	88	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.8	174.4	-70.8	-178.6	171.5	171.6	-4.5	108.3	V236 V237 Y238 T239 D347 A375 D376 Y392	V236-R390 HydrophobicContact CG1-CG 4.1Å; V237-R390 PolarHBondContact O-N 2.79Å; Y238-R390 WeakPolarHBondContact CA-O 3.47Å; Y238-R390 HydrophobicContact CD1-CB 3.75Å; Y238-R390 HydrophobicContact CD1-CG 4.44Å; Y238-R390 HydrophobicContact CE1-CB 4.04Å; Y238-R390 HydrophobicContact CE1-CG 4.25Å; Y238-R390 PolarHBondContact OH-NH1 3.38Å; T239-R390 PolarHBondContact N-O 3.49Å; T239-R390 VanDerWaalsContact N-O 3.09Å; D347-R390 HydrophobicContact CB-CG 4.42Å; A375-R390 PolarHBondContact O-NH2 3.05Å; D376-R390 IonicContact OD1-CZ 2.72Å; D376-R390 IonicContact OD1-NH2 3.84Å; D376-R390 PolarHBondContact OD1-NH2 2.9Å; R390-Y392 HydrophobicContact CB-CD1 4.18Å; R390-Y392 HydrophobicContact CB-CD2 4.28Å; R390-Y392 HydrophobicContact CB-CE1 3.75Å; R390-Y392 HydrophobicContact CB-CE2 3.89Å; R390-Y392 HydrophobicContact CB-CG 4.45Å; R390-Y392 VanDerWaalsContact CD-OH 3.32Å; R390-Y392 WeakPolarHBondContact CD-OH 3.49Å; R390-Y392 HydrophobicContact CG-CE1 4.05Å; R390-Y392 HydrophobicContact CG-CE2 4.12Å; R390-Y392 WeakPolarHBondContact CG-OH 3.35Å; R390-Y392 PolarHBondContact NE-OH 2.89Å; R390-Y392 PolarHBondContact O-N 2.91Å
391	L	93.9	Very high	88.2	Confident	21 Å²	21	43.8 Å²	43.8	11%	0.11	28%	0.275	C	S	.	.	S	Bend	trans	-79.9	34.8	-176.4	-58.8	-175.2	0	0	0	113	T239 F249 A250 L253 I346 D347 T348	T239-L391 HydrophobicContact CG2-CD2 4.08Å; T239-L391 VanDerWaalsContact OG1-CA 3.31Å; T239-L391 WeakPolarHBondContact OG1-CA 3.33Å; T239-L391 PolarHBondContact OG1-O 2.94Å; F249-L391 HydrophobicContact CB-CD1 4.38Å; A250-L391 HydrophobicContact CB-CD1 3.86Å; L253-L391 HydrophobicContact CD2-CD2 3.76Å; I346-L391 HydrophobicContact CG2-CD1 3.83Å; I346-L391 HydrophobicContact CG2-CG 4.16Å; D347-L391 PolarHBondContact O-N 2.91Å; T348-L391 HydrophobicContact CG2-CD1 4.14Å
392	Y	91.8	Very high	88.3	Confident	14 Å²	14	44.7 Å²	44.7	6%	0.055	28%	0.281	C	S	.	.	S	Bend	trans	-154.4	156	-174.9	50.4	-91.5	0	0	0	110	Y238 T239 D347 A375 R390 S396 L397	Y238-Y392 WeakPolarHBondContact CD1-O 2.95Å; T239-Y392 CarbonylContact O-C 3.58Å; T239-Y392 PolarHBondContact OG1-N 2.98Å; D347-Y392 HydrophobicContact CB-CE1 4.3Å; D347-Y392 WeakPolarHBondContact O-CE1 3.04Å; D347-Y392 PolarHBondContact OD2-OH 3.11Å; A375-Y392 WeakPolarHBondContact CB-OH 3.46Å; R390-Y392 HydrophobicContact CB-CD1 4.18Å; R390-Y392 HydrophobicContact CB-CD2 4.28Å; R390-Y392 HydrophobicContact CB-CE1 3.75Å; R390-Y392 HydrophobicContact CB-CE2 3.89Å; R390-Y392 HydrophobicContact CB-CG 4.45Å; R390-Y392 VanDerWaalsContact CD-OH 3.32Å; R390-Y392 WeakPolarHBondContact CD-OH 3.49Å; R390-Y392 HydrophobicContact CG-CE1 4.05Å; R390-Y392 HydrophobicContact CG-CE2 4.12Å; R390-Y392 WeakPolarHBondContact CG-OH 3.35Å; R390-Y392 PolarHBondContact NE-OH 2.89Å; R390-Y392 PolarHBondContact O-N 2.91Å; Y392-S396 WeakPolarHBondContact CD2-OG 3.43Å; Y392-L397 HydrophobicContact CD2-CD2 4.2Å; Y392-L397 HydrophobicContact CD2-CG 4.3Å; Y392-L397 HydrophobicContact CE2-CD1 3.81Å; Y392-L397 HydrophobicContact CE2-CD2 3.88Å; Y392-L397 HydrophobicContact CE2-CG 3.83Å
393	P	90.3	Very high	88.5	Confident	32 Å²	32	48.7 Å²	48.7	21%	0.208	30%	0.296	C	S	.	.			trans	-66.5	150.9	178.1	-20.7	31.4	0	0	0	112.6	T239 A395 S396	T239-P393 WeakPolarHBondContact O-CA 3.35Å; T239-P393 VanDerWaalsContact O-N 3.12Å; P393-A395 VanDerWaalsContact C-N 3.26Å; P393-A395 PolarHBondContact O-N 3.34Å; P393-S396 WeakPolarHBondContact O-CB 3.23Å; P393-S396 PolarHBondContact O-N 3.17Å; P393-S396 PolarHBondContact O-OG 2.88Å
394	E	84.2	Confident	88.9	Confident	136 Å²	136	48.8 Å²	48.8	64%	0.636	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-56.8	-37.6	179.9	-177.4	169.8	-152	0	0	113.3	Y238 S396	Y238-E394 HydrophobicContact CD1-CB 3.95Å; Y238-E394 HydrophobicContact CD2-CB 4.17Å; Y238-E394 HydrophobicContact CE1-CB 3.82Å; Y238-E394 HydrophobicContact CE1-CG 4.1Å; Y238-E394 HydrophobicContact CE2-CB 4.04Å; Y238-E394 HydrophobicContact CE2-CG 4.04Å; Y238-E394 HydrophobicContact CG-CB 4.11Å; E394-S396 VanDerWaalsContact C-N 3.27Å; E394-S396 PolarHBondContact O-N 3.46Å
395	A	82.3	Confident	89.3	Confident	105 Å²	105	49.1 Å²	49.1	87%	0.868	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-85.1	12.3	-179.6	0	0	0	0	0	114.5	P393	P393-A395 VanDerWaalsContact C-N 3.26Å; P393-A395 PolarHBondContact O-N 3.34Å
396	S	80.3	Confident	89.6	Confident	40 Å²	40	44.5 Å²	44.5	28%	0.28	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-90.7	-19.5	-170.8	66.5	0	0	0	0	115.1	Y392 P393 E394	Y392-S396 WeakPolarHBondContact CD2-OG 3.43Å; P393-S396 WeakPolarHBondContact O-CB 3.23Å; P393-S396 PolarHBondContact O-N 3.17Å; P393-S396 PolarHBondContact O-OG 2.88Å; E394-S396 VanDerWaalsContact C-N 3.27Å; E394-S396 PolarHBondContact O-N 3.46Å
397	L	83.9	Confident	89.8	Confident	26 Å²	26	46.2 Å²	46.2	14%	0.136	26%	0.262	C	S	.	.			trans	-79.7	122	-177.2	-61.7	-177	0	0	0	111	I370 A375 Y392	I370-L397 HydrophobicContact CG1-CD2 4.03Å; A375-L397 HydrophobicContact CB-CD1 3.56Å; Y392-L397 HydrophobicContact CD2-CD2 4.2Å; Y392-L397 HydrophobicContact CD2-CG 4.3Å; Y392-L397 HydrophobicContact CE2-CD1 3.81Å; Y392-L397 HydrophobicContact CE2-CD2 3.88Å; Y392-L397 HydrophobicContact CE2-CG 3.83Å
398	P	80.4	Confident	89.6	Confident	96 Å²	96	44.9 Å²	44.9	62%	0.623	26%	0.258	S	S	*	.			trans	-81.8	-24.1	-168.6	30.5	-34.9	0	0	0	114	P369	P369-P398 HydrophobicContact CB-CG 4.35Å
399	M	86.9	Confident	89.5	Confident	83 Å²	83	46.5 Å²	46.5	41%	0.409	27%	0.268	S	S	.	.			trans	-128.1	136.7	-170.8	-61.9	-165.5	69.5	0	0	111.6	S371 Q372 Y403	S371-M399 WeakPolarHBondContact CA-O 3.21Å; Q372-M399 PolarHBondContact N-O 3.11Å; M399-Y403 HydrophobicContact CE-CD2 3.79Å; M399-Y403 HydrophobicContact CE-CE2 4.5Å; M399-Y403 HydrophobicContact SD-CD2 3.82Å
400	A	88.3	Confident	89.4	Confident	69 Å²	69	46.4 Å²	46.4	57%	0.57	27%	0.269	S	S	*	.	S	Bend	trans	-71.3	-42.3	176.5	0	0	0	0	0	112.1	C373	C373-A400 WeakPolarHBondContact CB-O 3.09Å; C373-A400 PolarHBondContact N-O 2.89Å
401	E	89.9	Confident	89.4	Confident	21 Å²	21	46.4 Å²	46.4	10%	0.098	27%	0.27	C	S	.	.	S	Bend	trans	-107.3	157.1	-175.9	-71.3	176	-114.5	0	0	112.2	A211 V212 R215 S371 Y403	A211-E401 HydrophobicContact CB-CG 3.94Å; A211-E401 WeakPolarHBondContact O-CG 3.15Å; V212-E401 HydrophobicContact CG2-CG 4.14Å; R215-E401 WeakPolarHBondContact CD-OE2 3.44Å; R215-E401 IonicContact CZ-OE1 3.03Å; R215-E401 IonicContact CZ-OE2 3.6Å; R215-E401 IonicContact NE-OE1 2.68Å; R215-E401 PolarHBondContact NE-OE1 3.27Å; R215-E401 IonicContact NE-OE2 3.19Å; R215-E401 PolarHBondContact NE-OE2 2.94Å; R215-E401 IonicContact NH2-OE1 3.41Å; R215-E401 PolarHBondContact NH2-OE1 3.37Å; R215-E401 IonicContact NH2-OE2 2.86Å; R215-E401 PolarHBondContact NH2-OE2 3.5Å; S371-E401 VanDerWaalsContact CB-C 3.46Å; S371-E401 WeakPolarHBondContact CB-O 3.32Å; E401-Y403 PolarHBondContact O-N 2.9Å
402	T	89.1	Confident	89.5	Confident	21 Å²	21	45.4 Å²	45.4	13%	0.129	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-59	131.1	168.1	-54.2	0	0	0	0	109.9	H179 S371	H179-T402 WeakPolarHBondContact O-CB 3.26Å; H179-T402 PolarHBondContact O-OG1 3.24Å; S371-T402 PolarHBondContact OG-N 3.47Å
403	Y	90.8	Very high	89.7	Confident	87 Å²	87	46.8 Å²	46.8	34%	0.341	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-67.6	123.9	179.3	-168.1	-90.7	0	0	0	110.1	M399 E401 Q405 L407 D408	M399-Y403 HydrophobicContact CE-CD2 3.79Å; M399-Y403 HydrophobicContact CE-CE2 4.5Å; M399-Y403 HydrophobicContact SD-CD2 3.82Å; E401-Y403 PolarHBondContact O-N 2.9Å; Y403-Q405 PolarHBondContact O-N 3.37Å; Y403-L407 HydrophobicContact CE1-CB 3.59Å; Y403-L407 HydrophobicContact CE1-CD1 3.87Å; Y403-L407 HydrophobicContact CE1-CG 4.36Å; Y403-L407 HydrophobicContact CE2-CD1 4.21Å; Y403-D408 VanDerWaalsContact CD1-OD2 3.3Å; Y403-D408 WeakPolarHBondContact CD1-OD2 3.26Å; Y403-D408 VanDerWaalsContact CE1-CG 3.41Å; Y403-D408 WeakPolarHBondContact CE1-OD1 3.45Å; Y403-D408 WeakPolarHBondContact CE1-OD2 3.5Å
404	P	93.3	Very high	89.9	Confident	11 Å²	11	46.4 Å²	46.4	7%	0.071	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-58.5	132.9	-175.9	-23.9	33.6	0	0	0	112.4	R181 I406 L407 E433	R181-P404 HydrophobicContact CB-CB 4.34Å; P404-I406 VanDerWaalsContact C-N 3.27Å; P404-I406 HydrophobicContact CB-CG2 4.13Å; P404-I406 PolarHBondContact O-N 3.38Å; P404-L407 HydrophobicContact CB-CD1 4.37Å; P404-L407 HydrophobicContact CB-CG 4.42Å; P404-L407 HydrophobicContact CG-CD1 4.32Å; P404-L407 PolarHBondContact O-N 3.23Å; P404-E433 HydrophobicContact CG-CB 4.37Å; P404-E433 HydrophobicContact CG-CG 4.46Å
405	Q	93.6	Very high	90.5	Very high	76 Å²	76	40.6 Å²	40.6	36%	0.355	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-67.7	-29.8	-177.8	-65.6	-174.8	18.3	0	0	112.5	R181 V183 Y403 L407 D408 C409	R181-Q405 WeakPolarHBondContact O-CB 3.42Å; R181-Q405 WeakPolarHBondContact O-CG 3.33Å; R181-Q405 PolarHBondContact O-N 3.2Å; V183-Q405 HydrophobicContact CG2-CB 3.93Å; Y403-Q405 PolarHBondContact O-N 3.37Å; Q405-L407 PolarHBondContact O-N 3.12Å; Q405-D408 PolarHBondContact O-N 2.86Å; Q405-C409 WeakPolarHBondContact O-CB 3.38Å; Q405-C409 PolarHBondContact O-N 2.88Å; Q405-C409 VanDerWaalsContact O-N 3.15Å; Q405-C409 PolarHBondContact O-SG 2.96Å
406	I	93.9	Very high	91.2	Very high	2 Å²	2	36 Å²	36	1%	0.01	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-57.7	-19.8	179.4	-161.1	168.5	0	0	0	114.3	I187 P404 I411 F431 P435	I187-I406 HydrophobicContact CD1-CD1 4.12Å; P404-I406 VanDerWaalsContact C-N 3.27Å; P404-I406 HydrophobicContact CB-CG2 4.13Å; P404-I406 PolarHBondContact O-N 3.38Å; I406-I411 HydrophobicContact CG1-CG2 4.23Å; I406-F431 HydrophobicContact CD1-CD1 3.68Å; I406-F431 HydrophobicContact CD1-CE1 3.6Å; I406-P435 HydrophobicContact CD1-CG 3.84Å; I406-P435 HydrophobicContact CG1-CB 4.27Å; I406-P435 HydrophobicContact CG1-CG 3.99Å
407	L	92.8	Very high	92	Very high	40 Å²	40	35.5 Å²	35.5	21%	0.209	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-86	-22.2	179.3	-65.3	178	0	0	0	113.6	Y403 P404 Q405 E433 R434	Y403-L407 HydrophobicContact CE1-CB 3.59Å; Y403-L407 HydrophobicContact CE1-CD1 3.87Å; Y403-L407 HydrophobicContact CE1-CG 4.36Å; Y403-L407 HydrophobicContact CE2-CD1 4.21Å; P404-L407 HydrophobicContact CB-CD1 4.37Å; P404-L407 HydrophobicContact CB-CG 4.42Å; P404-L407 HydrophobicContact CG-CD1 4.32Å; P404-L407 PolarHBondContact O-N 3.23Å; Q405-L407 PolarHBondContact O-N 3.12Å; L407-E433 HydrophobicContact CD1-CG 4.06Å; L407-E433 HydrophobicContact CD2-CG 4.24Å; L407-E433 HydrophobicContact CG-CG 4.36Å; L407-R434 WeakPolarHBondContact CD2-O 3.46Å
408	D	90.4	Very high	92.5	Very high	29 Å²	29	35.2 Å²	35.2	16%	0.155	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	7.3	-171.6	-70.2	-17.8	0	0	0	113.1	K353 I355 Y356 Y403 Q405	K353-D408 IonicContact NZ-OD2 3.72Å; K353-D408 PolarHBondContact NZ-OD2 2.79Å; I355-D408 HydrophobicContact CG1-CB 4.48Å; I355-D408 HydrophobicContact CG2-CB 4.07Å; Y356-D408 WeakPolarHBondContact CB-O 3.32Å; Y356-D408 PolarHBondContact N-O 2.98Å; Y403-D408 VanDerWaalsContact CD1-OD2 3.3Å; Y403-D408 WeakPolarHBondContact CD1-OD2 3.26Å; Y403-D408 VanDerWaalsContact CE1-CG 3.41Å; Y403-D408 WeakPolarHBondContact CE1-OD1 3.45Å; Y403-D408 WeakPolarHBondContact CE1-OD2 3.5Å; Q405-D408 PolarHBondContact O-N 2.86Å
409	C	92.3	Very high	93.2	Very high	33 Å²	33	32.6 Å²	32.6	22%	0.223	18%	0.176	C	C	.	.	S	Bend	trans	-105.7	163.1	-179.4	67.1	0	0	0	0	112.1	V183 Q405 I411	V183-C409 HydrophobicContact CG2-CB 4.15Å; V183-C409 WeakPolarHBondContact CG2-SG 3.46Å; Q405-C409 WeakPolarHBondContact O-CB 3.38Å; Q405-C409 PolarHBondContact O-N 2.88Å; Q405-C409 VanDerWaalsContact O-N 3.15Å; Q405-C409 PolarHBondContact O-SG 2.96Å; C409-I411 PolarHBondContact O-N 2.68Å; C409-I411 WeakPolarHBondContact SG-CG2 3.4Å
410	N	93.3	Very high	93.6	Very high	29 Å²	29	31 Å²	31	16%	0.155	17%	0.166	C	C	.	.			trans	-70.1	113.2	164.1	-177.3	2.2	0	0	0	108.7	Y356 F363 T412	Y356-N410 HydrophobicContact CD1-CB 4.16Å; Y356-N410 HydrophobicContact CD2-CB 3.77Å; Y356-N410 HydrophobicContact CE1-CB 4.23Å; Y356-N410 HydrophobicContact CE2-CB 3.84Å; Y356-N410 HydrophobicContact CG-CB 3.92Å; F363-N410 HydrophobicContact CE1-CB 4.49Å; F363-N410 HydrophobicContact CZ-CB 3.89Å; N410-T412 WeakPolarHBondContact OD1-CB 3.35Å; N410-T412 PolarHBondContact OD1-N 3.25Å; N410-T412 PolarHBondContact OD1-OG1 2.9Å
411	I	94.8	Very high	93.8	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.139	C	C	.	.			trans	-96.6	3.2	-179.2	62.9	178.5	0	0	0	113.4	I406 C409 T414 V415 P435 L440 A443	I406-I411 HydrophobicContact CG1-CG2 4.23Å; C409-I411 PolarHBondContact O-N 2.68Å; C409-I411 WeakPolarHBondContact SG-CG2 3.4Å; I411-T414 CarbonylContact O-C 3.43Å; I411-T414 WeakPolarHBondContact O-CA 3.48Å; I411-T414 WeakPolarHBondContact O-CB 3.38Å; I411-T414 PolarHBondContact O-N 3.4Å; I411-V415 HydrophobicContact CD1-CG2 4.44Å; I411-V415 HydrophobicContact CG1-CG2 4.3Å; I411-V415 WeakPolarHBondContact O-CG2 3.42Å; I411-V415 PolarHBondContact O-N 3.39Å; I411-P435 HydrophobicContact CD1-CB 3.43Å; I411-P435 VanDerWaalsContact CD1-CB 3.43Å; I411-P435 HydrophobicContact CD1-CG 4.09Å; I411-L440 HydrophobicContact CD1-CB 4.28Å; I411-A443 HydrophobicContact CG1-CB 3.96Å
412	T	96.4	Very high	93.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-52	-47.1	177.1	-49.4	0	0	0	0	112.6	N410 T414 V415 L416 E446 L447 P473	N410-T412 WeakPolarHBondContact OD1-CB 3.35Å; N410-T412 PolarHBondContact OD1-N 3.25Å; N410-T412 PolarHBondContact OD1-OG1 2.9Å; T412-T414 VanDerWaalsContact C-N 3.33Å; T412-T414 PolarHBondContact O-N 2.88Å; T412-V415 PolarHBondContact O-N 2.53Å; T412-L416 PolarHBondContact O-N 3.07Å; T412-L416 VanDerWaalsContact O-N 3.1Å; T412-E446 HydrophobicContact CG2-CB 4.13Å; T412-E446 HydrophobicContact CG2-CG 4.06Å; T412-E446 PolarHBondContact OG1-OE1 2.79Å; T412-L447 HydrophobicContact CG2-CD1 4.36Å; T412-L447 HydrophobicContact CG2-CD2 3.72Å; T412-L447 HydrophobicContact CG2-CG 3.69Å; T412-P473 HydrophobicContact CG2-CB 4.33Å; T412-P473 HydrophobicContact CG2-CG 3.86Å
413	P	96.3	Very high	93.8	Very high	42 Å²	42	33.7 Å²	33.7	27%	0.273	17%	0.167	S	C	.	.	H	α-helix	trans	-63.3	-38.9	176.2	-18.7	31.6	0	0	0	112.5	L416 Y417	P413-L416 PolarHBondContact O-N 2.72Å; P413-Y417 WeakPolarHBondContact O-CB 3.2Å; P413-Y417 PolarHBondContact O-N 2.73Å
414	T	95.8	Very high	93.3	Very high	25 Å²	25	31.3 Å²	31.3	15%	0.153	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-41.8	178.4	-51.9	0	0	0	0	111.9	V183 I187 I411 T412 Y417 L418	V183-T414 HydrophobicContact CG1-CG2 4.09Å; V183-T414 WeakPolarHBondContact CG1-OG1 3.29Å; I187-T414 HydrophobicContact CD1-CG2 3.64Å; I187-T414 HydrophobicContact CG1-CG2 3.7Å; I411-T414 CarbonylContact O-C 3.43Å; I411-T414 WeakPolarHBondContact O-CA 3.48Å; I411-T414 WeakPolarHBondContact O-CB 3.38Å; I411-T414 PolarHBondContact O-N 3.4Å; T412-T414 VanDerWaalsContact C-N 3.33Å; T412-T414 PolarHBondContact O-N 2.88Å; T414-Y417 WeakPolarHBondContact O-CB 3.3Å; T414-Y417 PolarHBondContact O-N 3.08Å; T414-L418 HydrophobicContact CG2-CD1 4.25Å; T414-L418 HydrophobicContact CG2-CG 4.45Å; T414-L418 WeakPolarHBondContact O-CB 3.39Å; T414-L418 VanDerWaalsContact O-CG 3.28Å; T414-L418 WeakPolarHBondContact O-CG 3.3Å; T414-L418 PolarHBondContact O-N 3.43Å
415	V	96.4	Very high	92.6	Very high	13 Å²	13	33.3 Å²	33.3	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-42.7	177.1	173.9	0	0	0	0	110.4	I411 T412 Y417 L418 K419 L440 A443 L444 L447	I411-V415 HydrophobicContact CD1-CG2 4.44Å; I411-V415 HydrophobicContact CG1-CG2 4.3Å; I411-V415 WeakPolarHBondContact O-CG2 3.42Å; I411-V415 PolarHBondContact O-N 3.39Å; T412-V415 PolarHBondContact O-N 2.53Å; V415-Y417 VanDerWaalsContact C-N 3.34Å; V415-Y417 PolarHBondContact O-N 3.4Å; V415-L418 PolarHBondContact O-N 2.88Å; V415-K419 HydrophobicContact CG1-CG 4.49Å; V415-K419 WeakPolarHBondContact O-CB 3.42Å; V415-K419 WeakPolarHBondContact O-CG 3.27Å; V415-K419 PolarHBondContact O-N 2.75Å; V415-L440 HydrophobicContact CG2-CD1 3.77Å; V415-A443 HydrophobicContact CB-CB 4.43Å; V415-A443 HydrophobicContact CG2-CB 3.94Å; V415-L444 HydrophobicContact CG1-CD2 3.77Å; V415-L444 HydrophobicContact CG1-CG 4.42Å; V415-L447 HydrophobicContact CB-CD1 4.04Å; V415-L447 HydrophobicContact CG1-CD1 3.72Å
416	L	96.9	Very high	92	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-47.2	175	-179.9	61.7	0	0	0	111.4	T412 P413 K419 R420 L447 A452 L459 M466 P473	T412-L416 PolarHBondContact O-N 3.07Å; T412-L416 VanDerWaalsContact O-N 3.1Å; P413-L416 PolarHBondContact O-N 2.72Å; L416-K419 PolarHBondContact O-N 3.29Å; L416-R420 PolarHBondContact O-N 2.98Å; L416-R420 VanDerWaalsContact O-N 3.08Å; L416-L447 HydrophobicContact CB-CD1 4.07Å; L416-L447 HydrophobicContact CB-CD2 4.06Å; L416-L447 HydrophobicContact CD1-CD2 4.25Å; L416-L447 HydrophobicContact CD2-CD2 4.46Å; L416-L447 HydrophobicContact CG-CD2 4.5Å; L416-A452 HydrophobicContact CD1-CB 4.36Å; L416-L459 HydrophobicContact CD1-CD1 3.46Å; L416-L459 VanDerWaalsContact CD1-CD1 3.46Å; L416-M466 HydrophobicContact CD2-CB 4.26Å; L416-P473 HydrophobicContact CD2-CB 4.48Å; L416-P473 HydrophobicContact CD2-CG 4.05Å
417	Y	96	Very high	91.4	Very high	31 Å²	31	31.6 Å²	31.6	12%	0.122	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-48.4	176	171.8	-97	0	0	0	112.4	L158 M161 M162 I187 L191 P413 T414 V415 K419 R420 M421	L158-Y417 HydrophobicContact CB-CE2 4.32Å; L158-Y417 HydrophobicContact CD2-CE1 3.81Å; L158-Y417 VanDerWaalsContact CD2-OH 3.32Å; L158-Y417 WeakPolarHBondContact CD2-OH 3.27Å; L158-Y417 WeakPolarHBondContact O-CE2 3.11Å; L158-Y417 PolarHBondContact O-OH 3.06Å; M161-Y417 WeakPolarHBondContact CB-OH 3.46Å; M162-Y417 HydrophobicContact CG-CD2 4.12Å; M162-Y417 HydrophobicContact CG-CE2 3.75Å; M162-Y417 HydrophobicContact SD-CD2 3.37Å; M162-Y417 WeakPolarHBondContact SD-CD2 3.4Å; M162-Y417 HydrophobicContact SD-CE2 3.45Å; M162-Y417 WeakPolarHBondContact SD-CE2 3.38Å; I187-Y417 HydrophobicContact CG2-CD1 4.32Å; I187-Y417 HydrophobicContact CG2-CE1 3.92Å; L191-Y417 HydrophobicContact CD1-CE1 3.72Å; P413-Y417 WeakPolarHBondContact O-CB 3.2Å; P413-Y417 PolarHBondContact O-N 2.73Å; T414-Y417 WeakPolarHBondContact O-CB 3.3Å; T414-Y417 PolarHBondContact O-N 3.08Å; V415-Y417 VanDerWaalsContact C-N 3.34Å; V415-Y417 PolarHBondContact O-N 3.4Å; Y417-K419 VanDerWaalsContact C-N 3.35Å; Y417-K419 PolarHBondContact O-N 2.89Å; Y417-R420 WeakPolarHBondContact O-CB 3.18Å; Y417-R420 PolarHBondContact O-N 3.32Å; Y417-R420 VanDerWaalsContact O-N 3.11Å; Y417-M421 HydrophobicContact CD1-CG 4.21Å; Y417-M421 HydrophobicContact CE1-CG 3.7Å; Y417-M421 HydrophobicContact CE1-SD 4.49Å; Y417-M421 HydrophobicContact CE2-CE 4.16Å; Y417-M421 HydrophobicContact CE2-CG 4.14Å; Y417-M421 HydrophobicContact CE2-SD 4.22Å; Y417-M421 WeakPolarHBondContact O-CG 3.47Å; Y417-M421 PolarHBondContact O-N 2.8Å
418	L	95.4	Very high	91.1	Very high	20 Å²	20	36.8 Å²	36.8	11%	0.105	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-39.9	180	-72.7	177.5	0	0	0	112.4	I187 L191 T414 V415 R420 M421 E422 C429 F431	I187-L418 HydrophobicContact CD1-CD1 4.03Å; I187-L418 HydrophobicContact CD1-CD2 4.36Å; I187-L418 HydrophobicContact CD1-CG 4.49Å; I187-L418 HydrophobicContact CG2-CD2 4.01Å; L191-L418 HydrophobicContact CD1-CD2 4.3Å; L191-L418 HydrophobicContact CD2-CD2 4.11Å; L191-L418 HydrophobicContact CG-CD2 4.41Å; T414-L418 HydrophobicContact CG2-CD1 4.25Å; T414-L418 HydrophobicContact CG2-CG 4.45Å; T414-L418 WeakPolarHBondContact O-CB 3.39Å; T414-L418 VanDerWaalsContact O-CG 3.28Å; T414-L418 WeakPolarHBondContact O-CG 3.3Å; T414-L418 PolarHBondContact O-N 3.43Å; V415-L418 PolarHBondContact O-N 2.88Å; L418-R420 VanDerWaalsContact C-N 3.27Å; L418-R420 PolarHBondContact O-N 3.12Å; L418-M421 WeakPolarHBondContact O-CB 3.07Å; L418-M421 PolarHBondContact O-N 3.42Å; L418-M421 VanDerWaalsContact O-N 3.15Å; L418-E422 WeakPolarHBondContact O-CG 2.89Å; L418-E422 PolarHBondContact O-N 3.17Å; L418-C429 HydrophobicContact CD1-CB 4.3Å; L418-C429 HydrophobicContact CD2-CB 3.71Å; L418-F431 HydrophobicContact CD1-CE1 4.08Å; L418-F431 HydrophobicContact CD1-CZ 3.52Å
419	K	94.9	Very high	91.3	Very high	41 Å²	41	36.2 Å²	36.2	18%	0.178	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-37.2	173.8	-75.5	-73.6	-179.7	177.5	0	112.1	V415 L416 Y417 E422 I423 L453 G457 L459	V415-K419 HydrophobicContact CG1-CG 4.49Å; V415-K419 WeakPolarHBondContact O-CB 3.42Å; V415-K419 WeakPolarHBondContact O-CG 3.27Å; V415-K419 PolarHBondContact O-N 2.75Å; L416-K419 PolarHBondContact O-N 3.29Å; Y417-K419 VanDerWaalsContact C-N 3.35Å; Y417-K419 PolarHBondContact O-N 2.89Å; K419-E422 IonicContact NZ-OE2 2.69Å; K419-E422 PolarHBondContact O-N 3.06Å; K419-I423 PolarHBondContact O-N 3.28Å; K419-L453 HydrophobicContact CG-CD2 4.36Å; K419-G457 WeakPolarHBondContact CE-O 3.48Å; K419-G457 PolarHBondContact NZ-O 3.08Å; K419-L459 HydrophobicContact CB-CB 4.5Å; K419-L459 HydrophobicContact CB-CD1 4.16Å
420	R	94.3	Very high	91.4	Very high	50 Å²	50	38.2 Å²	38.2	19%	0.189	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-41.2	173.1	178.1	59.4	166.4	171.3	-3.4	112	M162 L416 Y417 L418 E422 I423 A424 L459 E468	M162-R420 HydrophobicContact CE-CB 4.27Å; M162-R420 HydrophobicContact CE-CG 3.48Å; M162-R420 VanDerWaalsContact CE-CG 3.48Å; M162-R420 HydrophobicContact SD-CB 4.31Å; M162-R420 HydrophobicContact SD-CG 3.73Å; L416-R420 PolarHBondContact O-N 2.98Å; L416-R420 VanDerWaalsContact O-N 3.08Å; Y417-R420 WeakPolarHBondContact O-CB 3.18Å; Y417-R420 PolarHBondContact O-N 3.32Å; Y417-R420 VanDerWaalsContact O-N 3.11Å; L418-R420 VanDerWaalsContact C-N 3.27Å; L418-R420 PolarHBondContact O-N 3.12Å; R420-E422 VanDerWaalsContact C-N 3.34Å; R420-E422 PolarHBondContact O-N 3.07Å; R420-I423 PolarHBondContact O-N 3.27Å; R420-A424 PolarHBondContact O-N 3.02Å; R420-A424 VanDerWaalsContact O-N 3.1Å; R420-L459 HydrophobicContact CB-CD2 4.01Å; R420-E468 IonicContact CZ-OE1 3.63Å; R420-E468 IonicContact NE-OE1 3.65Å; R420-E468 IonicContact NH2-OE1 2.81Å; R420-E468 PolarHBondContact NH2-OE1 3.19Å
421	M	93.5	Very high	91.4	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-37.7	176.1	-68.3	-61.5	94.9	0	0	112.5	M161 M162 L191 Y417 L418 I423 A424 G425 L426	M161-M421 HydrophobicContact CB-SD 4.1Å; M161-M421 WeakPolarHBondContact O-CE 3.32Å; M162-M421 HydrophobicContact CB-CE 4.35Å; M162-M421 HydrophobicContact CG-CE 4.18Å; M162-M421 HydrophobicContact SD-CE 3.45Å; M162-M421 WeakPolarHBondContact SD-CE 3.41Å; L191-M421 HydrophobicContact CD1-CG 4.17Å; Y417-M421 HydrophobicContact CD1-CG 4.21Å; Y417-M421 HydrophobicContact CE1-CG 3.7Å; Y417-M421 HydrophobicContact CE1-SD 4.49Å; Y417-M421 HydrophobicContact CE2-CE 4.16Å; Y417-M421 HydrophobicContact CE2-CG 4.14Å; Y417-M421 HydrophobicContact CE2-SD 4.22Å; Y417-M421 WeakPolarHBondContact O-CG 3.47Å; Y417-M421 PolarHBondContact O-N 2.8Å; L418-M421 WeakPolarHBondContact O-CB 3.07Å; L418-M421 PolarHBondContact O-N 3.42Å; L418-M421 VanDerWaalsContact O-N 3.15Å; M421-I423 VanDerWaalsContact C-N 3.29Å; M421-I423 PolarHBondContact O-N 2.86Å; M421-A424 HydrophobicContact CE-CB 4.46Å; M421-A424 CarbonylContact O-C 3.54Å; M421-A424 WeakPolarHBondContact O-CA 3.47Å; M421-A424 WeakPolarHBondContact O-CB 3.28Å; M421-A424 PolarHBondContact O-N 2.92Å; M421-A424 VanDerWaalsContact O-N 3.08Å; M421-G425 PolarHBondContact O-N 3.28Å; M421-L426 HydrophobicContact CB-CB 4.26Å; M421-L426 HydrophobicContact CB-CD1 4.06Å; M421-L426 HydrophobicContact CG-CD1 4.19Å; M421-L426 WeakPolarHBondContact O-CB 3.25Å; M421-L426 PolarHBondContact O-N 3.04Å; M421-L426 VanDerWaalsContact O-N 3.14Å; M421-L426 HydrophobicContact SD-CD1 3.56Å; M421-L426 VanDerWaalsContact SD-CD1 3.56Å
422	E	91.4	Very high	91.3	Very high	74 Å²	74	40.6 Å²	40.6	35%	0.346	23%	0.227	S	C	.	.	H	α-helix	trans	-57.3	-41.5	174.8	-74.1	178.9	175.3	0	0	112.3	L418 K419 R420 A424 G425 L426	L418-E422 WeakPolarHBondContact O-CG 2.89Å; L418-E422 PolarHBondContact O-N 3.17Å; K419-E422 IonicContact NZ-OE2 2.69Å; K419-E422 PolarHBondContact O-N 3.06Å; R420-E422 VanDerWaalsContact C-N 3.34Å; R420-E422 PolarHBondContact O-N 3.07Å; E422-A424 VanDerWaalsContact C-N 3.35Å; E422-G425 PolarHBondContact O-N 3.43Å; E422-L426 VanDerWaalsContact CA-O 3.28Å; E422-L426 WeakPolarHBondContact CA-O 3.41Å
423	I	86.4	Confident	91.1	Very high	91 Å²	91	44 Å²	44	47%	0.467	24%	0.243	S	C	.	.	H	α-helix	trans	-71.6	-33.3	176.8	-65.5	168.8	0	0	0	111.5	K419 R420 M421 G425 L459	K419-I423 PolarHBondContact O-N 3.28Å; R420-I423 PolarHBondContact O-N 3.27Å; M421-I423 VanDerWaalsContact C-N 3.29Å; M421-I423 PolarHBondContact O-N 2.86Å; I423-G425 PolarHBondContact O-N 3.35Å; I423-G425 VanDerWaalsContact O-N 3.13Å; I423-L459 HydrophobicContact CD1-CB 3.4Å; I423-L459 VanDerWaalsContact CD1-CB 3.4Å; I423-L459 HydrophobicContact CD1-CD2 3.91Å; I423-L459 HydrophobicContact CD1-CG 4.27Å
424	A	80.8	Confident	90.9	Very high	36 Å²	36	51.4 Å²	51.4	30%	0.298	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	1.4	176.6	0	0	0	0	0	113.4	P165 R420 M421 E422	P165-A424 HydrophobicContact CB-CB 4.25Å; P165-A424 HydrophobicContact CG-CB 3.62Å; R420-A424 PolarHBondContact O-N 3.02Å; R420-A424 VanDerWaalsContact O-N 3.1Å; M421-A424 HydrophobicContact CE-CB 4.46Å; M421-A424 CarbonylContact O-C 3.54Å; M421-A424 WeakPolarHBondContact O-CA 3.47Å; M421-A424 WeakPolarHBondContact O-CB 3.28Å; M421-A424 PolarHBondContact O-N 2.92Å; M421-A424 VanDerWaalsContact O-N 3.08Å; E422-A424 VanDerWaalsContact C-N 3.35Å
425	G	79.9	Confident	90.7	Very high	54 Å²	54	51 Å²	51	56%	0.557	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	0.9	175.3	0	0	0	0	0	114.3	M421 E422 I423 G427	M421-G425 PolarHBondContact O-N 3.28Å; E422-G425 PolarHBondContact O-N 3.43Å; I423-G425 PolarHBondContact O-N 3.35Å; I423-G425 VanDerWaalsContact O-N 3.13Å; G425-G427 PolarHBondContact O-N 3.49Å
426	L	79.8	Confident	90.4	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	28%	0.277	C	S	.	.			trans	-73.4	125.9	166.2	-72.2	167.2	0	0	0	108	M161 P165 F166 N194 V195 M421 E422	M161-L426 HydrophobicContact CE-CD1 3.81Å; P165-L426 HydrophobicContact CB-CD1 3.8Å; P165-L426 HydrophobicContact CB-CG 3.98Å; F166-L426 HydrophobicContact CD1-CD2 4.41Å; F166-L426 HydrophobicContact CE1-CD2 4.11Å; N194-L426 HydrophobicContact CB-CD2 4.32Å; V195-L426 HydrophobicContact CG2-CD2 3.8Å; M421-L426 HydrophobicContact CB-CB 4.26Å; M421-L426 HydrophobicContact CB-CD1 4.06Å; M421-L426 HydrophobicContact CG-CD1 4.19Å; M421-L426 WeakPolarHBondContact O-CB 3.25Å; M421-L426 PolarHBondContact O-N 3.04Å; M421-L426 VanDerWaalsContact O-N 3.14Å; M421-L426 HydrophobicContact SD-CD1 3.56Å; M421-L426 VanDerWaalsContact SD-CD1 3.56Å; E422-L426 VanDerWaalsContact CA-O 3.28Å; E422-L426 WeakPolarHBondContact CA-O 3.41Å
427	G	80.8	Confident	90.2	Very high	39 Å²	39	57.4 Å²	57.4	40%	0.402	30%	0.302	S	S	.	.			trans	-61.4	-179.7	173.3	0	0	0	0	0	112.3	N194 G425 C429	N194-G427 PolarHBondContact ND2-O 3.31Å; N194-G427 VanDerWaalsContact ND2-O 3.12Å; G425-G427 PolarHBondContact O-N 3.49Å; G427-C429 PolarHBondContact O-N 3.28Å
428	Q	88	Confident	90	Very high	149 Å²	149	59 Å²	59	70%	0.696	31%	0.311	S	S	*	.	S	Bend	trans	-52.3	138.6	176.8	-69.8	-179.3	-11.4	0	0	111.7	N194 H430	N194-Q428 PolarHBondContact ND2-O 3.25Å; Q428-H430 PolarHBondContact O-N 3.28Å; Q428-H430 PolarHBondContact O-ND1 3.01Å
429	C	93	Very high	89.9	Confident	17 Å²	17	58.4 Å²	58.4	12%	0.115	31%	0.309	C	S	.	.			trans	-62.1	129.3	176.9	-178	0	0	0	0	110.7	L191 L418 G427 F431	L191-C429 HydrophobicContact CD2-CB 3.96Å; L418-C429 HydrophobicContact CD1-CB 4.3Å; L418-C429 HydrophobicContact CD2-CB 3.71Å; G427-C429 PolarHBondContact O-N 3.28Å; C429-F431 HydrophobicContact CB-CE2 4.12Å; C429-F431 HydrophobicContact CB-CZ 4.17Å; C429-F431 WeakPolarHBondContact O-CD2 3.29Å; C429-F431 PolarHBondContact O-N 2.92Å
430	H	94.4	Very high	89.9	Confident	75 Å²	75	59.5 Å²	59.5	35%	0.347	32%	0.317	S	S	.	.			trans	-85.9	87.4	174.4	-66.8	90.1	0	0	0	109	G190 K193 N194 H219 Q428 I432	G190-H430 WeakPolarHBondContact CA-O 3.43Å; G190-H430 PolarHBondContact O-N 3.42Å; K193-H430 HydrophobicContact CB-CB 4.42Å; K193-H430 HydrophobicContact CD-CB 3.86Å; N194-H430 PolarHBondContact OD1-CE1 3.36Å; N194-H430 PolarHBondContact OD1-ND1 2.77Å; H219-H430 PolarHBondContact CE1-O 3.45Å; H219-H430 PolarHBondContact NE2-O 2.88Å; Q428-H430 PolarHBondContact O-N 3.28Å; Q428-H430 PolarHBondContact O-ND1 3.01Å; H430-I432 PolarHBondContact O-N 2.74Å
431	F	94.1	Very high	89.9	Confident	55 Å²	55	63.1 Å²	63.1	24%	0.241	34%	0.337	C	S	.	.			trans	-62.4	138.7	178.8	-64.3	-81.9	0	0	0	112.6	I187 I406 L418 C429 E433 R434 P435	I187-F431 HydrophobicContact CD1-CD1 4.2Å; I187-F431 HydrophobicContact CD1-CE1 3.52Å; I187-F431 HydrophobicContact CD1-CZ 4.39Å; I406-F431 HydrophobicContact CD1-CD1 3.68Å; I406-F431 HydrophobicContact CD1-CE1 3.6Å; L418-F431 HydrophobicContact CD1-CE1 4.08Å; L418-F431 HydrophobicContact CD1-CZ 3.52Å; C429-F431 HydrophobicContact CB-CE2 4.12Å; C429-F431 HydrophobicContact CB-CZ 4.17Å; C429-F431 WeakPolarHBondContact O-CD2 3.29Å; C429-F431 PolarHBondContact O-N 2.92Å; F431-E433 WeakPolarHBondContact CB-O 3.41Å; F431-R434 HydrophobicContact CB-CG 4.07Å; F431-R434 HydrophobicContact CD2-CG 4.44Å; F431-P435 HydrophobicContact CE1-CG 4.06Å; F431-P435 HydrophobicContact CZ-CG 4.22Å
432	I	93	Very high	89.9	Confident	28 Å²	28	63.5 Å²	63.5	14%	0.144	34%	0.339	C	S	.	.	S	Bend	trans	-67.4	-50.9	164.9	-61.6	173	0	0	0	109	L189 R215 L216 H219 H430	L189-I432 HydrophobicContact CB-CD1 3.87Å; L189-I432 HydrophobicContact CD1-CD1 3.51Å; L189-I432 HydrophobicContact CG-CD1 4.33Å; R215-I432 HydrophobicContact CB-CG2 4.48Å; L216-I432 HydrophobicContact CD2-CD1 3.94Å; H219-I432 HydrophobicContact CB-CG1 4.44Å; H430-I432 PolarHBondContact O-N 2.74Å
433	E	91.6	Very high	90.1	Very high	70 Å²	70	60 Å²	60	33%	0.327	32%	0.323	S	S	.	.	S	Bend	trans	-125.9	129.1	171	-164.9	68.3	-116.4	0	0	108	R215 P404 L407 F431	R215-E433 IonicContact NH1-OE2 2.99Å; P404-E433 HydrophobicContact CG-CB 4.37Å; P404-E433 HydrophobicContact CG-CG 4.46Å; L407-E433 HydrophobicContact CD1-CG 4.06Å; L407-E433 HydrophobicContact CD2-CG 4.24Å; L407-E433 HydrophobicContact CG-CG 4.36Å; F431-E433 WeakPolarHBondContact CB-O 3.41Å
434	R	92.3	Very high	90.5	Very high	198 Å²	198	58.5 Å²	58.5	75%	0.747	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-74.3	145.5	-178.1	-69.6	-177.5	179	-168.1	-2.6	109.9	L407 F431	L407-R434 WeakPolarHBondContact CD2-O 3.46Å; F431-R434 HydrophobicContact CB-CG 4.07Å; F431-R434 HydrophobicContact CD2-CG 4.44Å
435	P	92.3	Very high	91.2	Very high	16 Å²	16	60.1 Å²	60.1	10%	0.104	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-57.2	153.5	172.1	-14	23	0	0	0	111.6	I406 I411 F431	I406-P435 HydrophobicContact CD1-CG 3.84Å; I406-P435 HydrophobicContact CG1-CB 4.27Å; I406-P435 HydrophobicContact CG1-CG 3.99Å; I411-P435 HydrophobicContact CD1-CB 3.43Å; I411-P435 VanDerWaalsContact CD1-CB 3.43Å; I411-P435 HydrophobicContact CD1-CG 4.09Å; F431-P435 HydrophobicContact CE1-CG 4.06Å; F431-P435 HydrophobicContact CZ-CG 4.22Å
436	D	90.1	Very high	91.9	Very high	69 Å²	69	57.7 Å²	57.7	37%	0.369	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-57.5	132.8	174.4	176.6	76.1	0	0	0	110.5	E438 G439 L440	D436-E438 VanDerWaalsContact C-N 3.25Å; D436-E438 PolarHBondContact O-N 3.49Å; D436-E438 WeakPolarHBondContact OD2-CA 3.36Å; D436-E438 WeakPolarHBondContact OD2-CB 3.38Å; D436-E438 PolarHBondContact OD2-N 3.25Å; D436-G439 PolarHBondContact O-N 3.18Å; D436-G439 PolarHBondContact OD2-N 2.84Å; D436-G439 VanDerWaalsContact OD2-N 3.14Å; D436-L440 PolarHBondContact O-N 2.71Å
437	P	92.3	Very high	92.8	Very high	87 Å²	87	57.5 Å²	57.5	57%	0.565	29%	0.29	S	S	*	.	H	α-helix	trans	-58.8	-34.2	-177.8	-26.4	34.9	0	0	0	113.9	L440 M441	P437-L440 PolarHBondContact O-N 3.5Å; P437-M441 WeakPolarHBondContact O-CB 3.32Å; P437-M441 WeakPolarHBondContact O-CE 3.4Å; P437-M441 VanDerWaalsContact O-CG 3.3Å; P437-M441 WeakPolarHBondContact O-CG 3.43Å; P437-M441 PolarHBondContact O-N 2.97Å
438	E	92.8	Very high	93.5	Very high	66 Å²	66	58.2 Å²	58.2	31%	0.308	29%	0.285	S	S	.	.	H	α-helix	trans	-68.1	-45.6	178	-162.4	-179.4	144.7	0	0	110.4	P358 R359 D436 L440 M441 Q442	P358-E438 HydrophobicContact CB-CG 4.44Å; R359-E438 WeakPolarHBondContact CD-OE1 3.26Å; R359-E438 WeakPolarHBondContact CG-OE1 3.3Å; R359-E438 IonicContact CZ-OE1 3.58Å; R359-E438 IonicContact CZ-OE2 3.34Å; R359-E438 IonicContact NE-OE1 2.77Å; R359-E438 PolarHBondContact NE-OE1 3.14Å; R359-E438 IonicContact NE-OE2 2.77Å; R359-E438 PolarHBondContact NE-OE2 2.85Å; R359-E438 IonicContact NH2-OE1 2.65Å; R359-E438 IonicContact NH2-OE2 2.99Å; R359-E438 PolarHBondContact NH2-OE2 3.48Å; D436-E438 VanDerWaalsContact C-N 3.25Å; D436-E438 PolarHBondContact O-N 3.49Å; D436-E438 WeakPolarHBondContact OD2-CA 3.36Å; D436-E438 WeakPolarHBondContact OD2-CB 3.38Å; D436-E438 PolarHBondContact OD2-N 3.25Å; E438-L440 PolarHBondContact O-N 3.45Å; E438-M441 PolarHBondContact O-N 2.99Å; E438-Q442 WeakPolarHBondContact O-CB 3.46Å; E438-Q442 PolarHBondContact O-N 2.95Å
439	G	93.1	Very high	93.9	Very high	7 Å²	7	51.7 Å²	51.7	7%	0.072	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-42.1	172.8	0	0	0	0	0	113	D436 Q442 A443	D436-G439 PolarHBondContact O-N 3.18Å; D436-G439 PolarHBondContact OD2-N 2.84Å; D436-G439 VanDerWaalsContact OD2-N 3.14Å; G439-Q442 PolarHBondContact O-N 3.48Å; G439-A443 WeakPolarHBondContact O-CB 3.39Å; G439-A443 PolarHBondContact O-N 3Å
440	L	94.1	Very high	94.1	Very high	64 Å²	64	51 Å²	51	34%	0.335	25%	0.248	S	C	.	.	H	α-helix	trans	-66.1	-44	178.3	-179.4	61.3	0	0	0	112.5	I411 V415 D436 P437 E438 Q442 A443 L444	I411-L440 HydrophobicContact CD1-CB 4.28Å; V415-L440 HydrophobicContact CG2-CD1 3.77Å; D436-L440 PolarHBondContact O-N 2.71Å; P437-L440 PolarHBondContact O-N 3.5Å; E438-L440 PolarHBondContact O-N 3.45Å; L440-Q442 VanDerWaalsContact C-N 3.34Å; L440-A443 PolarHBondContact O-N 3.31Å; L440-L444 HydrophobicContact CD1-CD1 4.31Å; L440-L444 HydrophobicContact CD1-CG 4.4Å; L440-L444 HydrophobicContact CG-CD1 4.2Å; L440-L444 WeakPolarHBondContact O-CG 3.19Å; L440-L444 PolarHBondContact O-N 3.34Å
441	M	93.4	Very high	94.2	Very high	125 Å²	125	49.1 Å²	49.1	62%	0.616	25%	0.247	S	C	*	.	H	α-helix	trans	-62.6	-42.8	175.9	-74.1	-176.1	-66	0	0	111.3	P437 E438 L444 E445	P437-M441 WeakPolarHBondContact O-CB 3.32Å; P437-M441 WeakPolarHBondContact O-CE 3.4Å; P437-M441 VanDerWaalsContact O-CG 3.3Å; P437-M441 WeakPolarHBondContact O-CG 3.43Å; P437-M441 PolarHBondContact O-N 2.97Å; E438-M441 PolarHBondContact O-N 2.99Å; M441-L444 PolarHBondContact O-N 3.36Å; M441-E445 WeakPolarHBondContact O-CB 3.49Å; M441-E445 PolarHBondContact O-N 3.27Å
442	Q	94.3	Very high	94.3	Very high	11 Å²	11	46.5 Å²	46.5	5%	0.051	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-41.5	177.7	176	-86.6	-44.2	0	0	112.2	Y356 P358 R361 E438 G439 L440 E445 E446	Y356-Q442 PolarHBondContact OH-NE2 3.35Å; Y356-Q442 PolarHBondContact OH-OE1 3.42Å; P358-Q442 HydrophobicContact CB-CB 4.13Å; P358-Q442 HydrophobicContact CB-CG 4.29Å; R361-Q442 HydrophobicContact CG-CG 4.41Å; E438-Q442 WeakPolarHBondContact O-CB 3.46Å; E438-Q442 PolarHBondContact O-N 2.95Å; G439-Q442 PolarHBondContact O-N 3.48Å; L440-Q442 VanDerWaalsContact C-N 3.34Å; Q442-E445 PolarHBondContact O-N 3.44Å; Q442-E446 PolarHBondContact NE2-OE2 3.06Å; Q442-E446 VanDerWaalsContact O-CB 3.31Å; Q442-E446 WeakPolarHBondContact O-CB 3.22Å; Q442-E446 PolarHBondContact O-N 2.85Å
443	A	96.1	Very high	94.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-44.3	175.7	0	0	0	0	0	112.4	I411 V415 G439 L440 E446 L447	I411-A443 HydrophobicContact CG1-CB 3.96Å; V415-A443 HydrophobicContact CB-CB 4.43Å; V415-A443 HydrophobicContact CG2-CB 3.94Å; G439-A443 WeakPolarHBondContact O-CB 3.39Å; G439-A443 PolarHBondContact O-N 3Å; L440-A443 PolarHBondContact O-N 3.31Å; A443-E446 PolarHBondContact O-N 2.88Å; A443-L447 WeakPolarHBondContact O-CG 3.28Å; A443-L447 PolarHBondContact O-N 2.63Å
444	L	95.4	Very high	94.6	Very high	59 Å²	59	45.2 Å²	45.2	31%	0.309	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-43.8	176.4	-71.7	169.5	0	0	0	111.8	V415 L440 M441 E446 L447 D448 L453	V415-L444 HydrophobicContact CG1-CD2 3.77Å; V415-L444 HydrophobicContact CG1-CG 4.42Å; L440-L444 HydrophobicContact CD1-CD1 4.31Å; L440-L444 HydrophobicContact CD1-CG 4.4Å; L440-L444 HydrophobicContact CG-CD1 4.2Å; L440-L444 WeakPolarHBondContact O-CG 3.19Å; L440-L444 PolarHBondContact O-N 3.34Å; M441-L444 PolarHBondContact O-N 3.36Å; L444-E446 VanDerWaalsContact C-N 3.3Å; L444-E446 PolarHBondContact O-N 3.07Å; L444-L447 PolarHBondContact O-N 3.29Å; L444-D448 VanDerWaalsContact O-CB 3.31Å; L444-D448 WeakPolarHBondContact O-CB 3.35Å; L444-D448 PolarHBondContact O-N 3Å; L444-L453 HydrophobicContact CD2-CD1 3.91Å
445	E	94	Very high	94.5	Very high	71 Å²	71	43.8 Å²	43.8	33%	0.332	24%	0.238	S	C	.	.	H	α-helix	trans	-60.8	-40.4	175.8	-170.5	-163.1	-169.3	0	0	111.5	R361 M441 Q442 D448 Y449	R361-E445 IonicContact CZ-OE2 3.59Å; R361-E445 IonicContact NH2-OE2 3.94Å; R361-E445 PolarHBondContact NH2-OE2 3.12Å; M441-E445 WeakPolarHBondContact O-CB 3.49Å; M441-E445 PolarHBondContact O-N 3.27Å; Q442-E445 PolarHBondContact O-N 3.44Å; E445-D448 PolarHBondContact O-N 3.04Å; E445-Y449 VanDerWaalsContact CD-CE2 3.5Å; E445-Y449 HydrophobicContact CG-CD2 4.04Å; E445-Y449 HydrophobicContact CG-CE2 3.43Å; E445-Y449 VanDerWaalsContact CG-CE2 3.43Å; E445-Y449 VanDerWaalsContact O-CD2 3.24Å; E445-Y449 WeakPolarHBondContact O-CD2 3.41Å; E445-Y449 PolarHBondContact O-N 2.95Å; E445-Y449 VanDerWaalsContact OE1-CE2 3.26Å; E445-Y449 WeakPolarHBondContact OE1-CE2 3.17Å; E445-Y449 VanDerWaalsContact OE1-CZ 3.32Å; E445-Y449 PolarHBondContact OE1-OH 3.46Å
446	E	95.3	Very high	94.4	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-44.6	177.7	-171.6	159.8	114.9	0	0	112.6	R361 T412 Q442 A443 L444 D448 Y449 L450 Q474 M609	R361-E446 IonicContact NH1-OE2 2.78Å; R361-E446 PolarHBondContact NH1-OE2 2.82Å; T412-E446 HydrophobicContact CG2-CB 4.13Å; T412-E446 HydrophobicContact CG2-CG 4.06Å; T412-E446 PolarHBondContact OG1-OE1 2.79Å; Q442-E446 PolarHBondContact NE2-OE2 3.06Å; Q442-E446 VanDerWaalsContact O-CB 3.31Å; Q442-E446 WeakPolarHBondContact O-CB 3.22Å; Q442-E446 PolarHBondContact O-N 2.85Å; A443-E446 PolarHBondContact O-N 2.88Å; L444-E446 VanDerWaalsContact C-N 3.3Å; L444-E446 PolarHBondContact O-N 3.07Å; E446-D448 VanDerWaalsContact C-N 3.33Å; E446-Y449 PolarHBondContact O-N 3.46Å; E446-L450 HydrophobicContact CG-CD1 4.28Å; E446-L450 VanDerWaalsContact O-CG 3.27Å; E446-L450 WeakPolarHBondContact O-CG 3.26Å; E446-L450 PolarHBondContact O-N 2.93Å; E446-Q474 PolarHBondContact OE1-NE2 2.81Å; E446-M609 HydrophobicContact CG-CE 3.79Å; E446-M609 HydrophobicContact CG-SD 3.97Å
447	L	97.6	Very high	94.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.9	-35.8	176.4	-68.9	174.9	0	0	0	112.1	T412 V415 L416 A443 L444 L450 A451 A452 L453 P473	T412-L447 HydrophobicContact CG2-CD1 4.36Å; T412-L447 HydrophobicContact CG2-CD2 3.72Å; T412-L447 HydrophobicContact CG2-CG 3.69Å; V415-L447 HydrophobicContact CB-CD1 4.04Å; V415-L447 HydrophobicContact CG1-CD1 3.72Å; L416-L447 HydrophobicContact CB-CD1 4.07Å; L416-L447 HydrophobicContact CB-CD2 4.06Å; L416-L447 HydrophobicContact CD1-CD2 4.25Å; L416-L447 HydrophobicContact CD2-CD2 4.46Å; L416-L447 HydrophobicContact CG-CD2 4.5Å; A443-L447 WeakPolarHBondContact O-CG 3.28Å; A443-L447 PolarHBondContact O-N 2.63Å; L444-L447 PolarHBondContact O-N 3.29Å; L447-L450 PolarHBondContact O-N 3.24Å; L447-A451 PolarHBondContact O-N 3.15Å; L447-A452 HydrophobicContact CB-CB 4.18Å; L447-A452 HydrophobicContact CD2-CB 4.02Å; L447-A452 WeakPolarHBondContact O-CB 3.41Å; L447-A452 PolarHBondContact O-N 3.39Å; L447-L453 HydrophobicContact CB-CD1 3.87Å; L447-L453 HydrophobicContact CB-CG 3.83Å; L447-L453 PolarHBondContact O-N 3.23Å; L447-P473 HydrophobicContact CD2-CB 3.9Å; L447-P473 HydrophobicContact CD2-CG 3.99Å
448	D	96.1	Very high	94.4	Very high	54 Å²	54	47.3 Å²	47.3	29%	0.289	26%	0.257	S	S	.	.	H	α-helix	trans	-61.1	-50.9	171.6	-178.9	61.9	0	0	0	111.1	L444 E445 E446 L450 A451 Y681	L444-D448 VanDerWaalsContact O-CB 3.31Å; L444-D448 WeakPolarHBondContact O-CB 3.35Å; L444-D448 PolarHBondContact O-N 3Å; E445-D448 PolarHBondContact O-N 3.04Å; E446-D448 VanDerWaalsContact C-N 3.33Å; D448-L450 VanDerWaalsContact C-N 3.25Å; D448-L450 PolarHBondContact O-N 3.15Å; D448-A451 WeakPolarHBondContact O-CA 3.42Å; D448-A451 PolarHBondContact O-N 2.91Å; D448-Y681 WeakPolarHBondContact OD2-CE1 3.48Å
449	Y	95.9	Very high	94.5	Very high	12 Å²	12	44.9 Å²	44.9	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-34.3	176.3	-71.3	-40.1	0	0	0	113.4	E445 E446 A451 F608 M609 Y681 F682 N685	E445-Y449 VanDerWaalsContact CD-CE2 3.5Å; E445-Y449 HydrophobicContact CG-CD2 4.04Å; E445-Y449 HydrophobicContact CG-CE2 3.43Å; E445-Y449 VanDerWaalsContact CG-CE2 3.43Å; E445-Y449 VanDerWaalsContact O-CD2 3.24Å; E445-Y449 WeakPolarHBondContact O-CD2 3.41Å; E445-Y449 PolarHBondContact O-N 2.95Å; E445-Y449 VanDerWaalsContact OE1-CE2 3.26Å; E445-Y449 WeakPolarHBondContact OE1-CE2 3.17Å; E445-Y449 VanDerWaalsContact OE1-CZ 3.32Å; E445-Y449 PolarHBondContact OE1-OH 3.46Å; E446-Y449 PolarHBondContact O-N 3.46Å; Y449-A451 PolarHBondContact O-N 3.35Å; Y449-F608 WeakPolarHBondContact O-CZ 3.5Å; Y449-M609 HydrophobicContact CD2-SD 4.03Å; Y449-Y681 AromaticContact CD1-CD1 3.82Å; Y449-Y681 HydrophobicContact CD1-CD1 3.82Å; Y449-Y681 HydrophobicContact CD1-CE1 4.17Å; Y449-Y681 AromaticContact CE1-CD1 3.47Å; Y449-Y681 HydrophobicContact CE1-CD1 3.47Å; Y449-Y681 VanDerWaalsContact CE1-CD1 3.47Å; Y449-Y681 AromaticContact CE1-CE1 3.56Å; Y449-Y681 HydrophobicContact CE1-CE1 3.56Å; Y449-Y681 HydrophobicContact CE1-CG 4.39Å; Y449-F682 HydrophobicContact CD1-CB 3.75Å; Y449-F682 HydrophobicContact CD1-CD2 4.33Å; Y449-F682 AromaticContact CD2-CD2 3.97Å; Y449-F682 HydrophobicContact CD2-CD2 3.97Å; Y449-F682 HydrophobicContact CE1-CB 3.88Å; Y449-F682 HydrophobicContact CE1-CD2 4.25Å; Y449-F682 AromaticContact CE2-CD2 3.89Å; Y449-F682 HydrophobicContact CE2-CD2 3.89Å; Y449-F682 HydrophobicContact CG-CB 4.27Å; Y449-F682 HydrophobicContact CG-CD2 4.22Å; Y449-N685 WeakPolarHBondContact OH-CB 3.33Å; Y449-N685 PolarHBondContact OH-ND2 2.99Å
450	L	97.1	Very high	94.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-2.5	176.4	-67.6	169.1	0	0	0	113.2	E446 L447 D448 A452 M466 P473 Q474 K477 F608 M609	E446-L450 HydrophobicContact CG-CD1 4.28Å; E446-L450 VanDerWaalsContact O-CG 3.27Å; E446-L450 WeakPolarHBondContact O-CG 3.26Å; E446-L450 PolarHBondContact O-N 2.93Å; L447-L450 PolarHBondContact O-N 3.24Å; D448-L450 VanDerWaalsContact C-N 3.25Å; D448-L450 PolarHBondContact O-N 3.15Å; L450-A452 PolarHBondContact O-N 2.83Å; L450-M466 HydrophobicContact CB-CE 4.29Å; L450-M466 HydrophobicContact CD1-CE 4.27Å; L450-P473 HydrophobicContact CD1-CB 3.66Å; L450-Q474 HydrophobicContact CD1-CG 4.48Å; L450-K477 HydrophobicContact CD2-CB 3.97Å; L450-K477 HydrophobicContact CD2-CG 3.96Å; L450-K477 WeakPolarHBondContact O-CE 3.42Å; L450-K477 PolarHBondContact O-NZ 3.33Å; L450-F608 HydrophobicContact CD2-CE1 3.96Å; L450-F608 HydrophobicContact CD2-CZ 4.23Å; L450-M609 HydrophobicContact CD1-CE 4.43Å; L450-M609 HydrophobicContact CD2-CE 4.01Å; L450-M609 HydrophobicContact CG-CE 4.08Å
451	A	96.7	Very high	94.7	Very high	37 Å²	37	50.1 Å²	50.1	31%	0.306	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	26.9	-170.4	0	0	0	0	0	112.9	L447 D448 Y449 L453 S460 I462	L447-A451 PolarHBondContact O-N 3.15Å; D448-A451 WeakPolarHBondContact O-CA 3.42Å; D448-A451 PolarHBondContact O-N 2.91Å; Y449-A451 PolarHBondContact O-N 3.35Å; A451-L453 VanDerWaalsContact C-N 3.3Å; A451-S460 PolarHBondContact O-OG 3.41Å; A451-I462 HydrophobicContact CB-CD1 4.38Å
452	A	97.8	Very high	94.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.			trans	-77.8	-21.7	172.7	0	0	0	0	0	111.5	L416 L447 L450 L459 S460 G463 M466	L416-A452 HydrophobicContact CD1-CB 4.36Å; L447-A452 HydrophobicContact CB-CB 4.18Å; L447-A452 HydrophobicContact CD2-CB 4.02Å; L447-A452 WeakPolarHBondContact O-CB 3.41Å; L447-A452 PolarHBondContact O-N 3.39Å; L450-A452 PolarHBondContact O-N 2.83Å; A452-L459 WeakPolarHBondContact O-CD1 3.21Å; A452-S460 PolarHBondContact O-N 3.42Å; A452-S460 PolarHBondContact O-OG 2.84Å; A452-G463 WeakPolarHBondContact O-CA 3.43Å; A452-M466 HydrophobicContact CB-CE 4Å; A452-M466 HydrophobicContact CB-SD 4.06Å
453	L	96.8	Very high	94.9	Very high	12 Å²	12	46 Å²	46	6%	0.063	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-108.3	153.9	171.7	-55	177.8	0	0	0	110.7	K419 L444 L447 A451 N458 L459	K419-L453 HydrophobicContact CG-CD2 4.36Å; L444-L453 HydrophobicContact CD2-CD1 3.91Å; L447-L453 HydrophobicContact CB-CD1 3.87Å; L447-L453 HydrophobicContact CB-CG 3.83Å; L447-L453 PolarHBondContact O-N 3.23Å; A451-L453 VanDerWaalsContact C-N 3.3Å; L453-N458 CarbonylContact C-O 3.59Å; L453-N458 WeakPolarHBondContact CA-O 3.31Å; L453-L459 HydrophobicContact CD2-CD1 4.43Å
454	D	93.6	Very high	94.9	Very high	58 Å²	58	48.4 Å²	48.4	31%	0.31	26%	0.262	S	S	.	.			trans	-89.4	175.8	167.5	67.7	16.5	0	0	0	111.9	D456 G457 N458	D454-D456 PolarHBondContact O-N 3.04Å; D454-D456 VanDerWaalsContact O-N 3.07Å; D454-D456 WeakPolarHBondContact OD1-CA 3.42Å; D454-D456 PolarHBondContact OD1-N 2.86Å; D454-G457 PolarHBondContact O-N 2.87Å; D454-G457 PolarHBondContact OD1-N 3.44Å; D454-N458 PolarHBondContact N-O 3.06Å; D454-N458 PolarHBondContact OD1-N 2.87Å
455	D	89.4	Confident	94.9	Very high	169 Å²	169	48.4 Å²	48.4	90%	0.904	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.5	-179.2	-68.1	-24	0	0	0	113.7
456	D	90.9	Very high	95	Very high	141 Å²	141	45 Å²	45	75%	0.754	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.6	177.4	-70.3	-45.1	0	0	0	112.3	D454 N458	D454-D456 PolarHBondContact O-N 3.04Å; D454-D456 VanDerWaalsContact O-N 3.07Å; D454-D456 WeakPolarHBondContact OD1-CA 3.42Å; D454-D456 PolarHBondContact OD1-N 2.86Å; D456-N458 WeakPolarHBondContact CB-ND2 3.22Å
457	G	89.4	Confident	95	Very high	25 Å²	25	45.8 Å²	45.8	26%	0.258	25%	0.251	S	S	.	.	S	Bend	trans	77.8	18.2	-178.2	0	0	0	0	0	114.2	K419 D454	K419-G457 WeakPolarHBondContact CE-O 3.48Å; K419-G457 PolarHBondContact NZ-O 3.08Å; D454-G457 PolarHBondContact O-N 2.87Å; D454-G457 PolarHBondContact OD1-N 3.44Å
458	N	92.8	Very high	94.8	Very high	80 Å²	80	47.2 Å²	47.2	43%	0.428	26%	0.258	S	S	.	.	S	Bend	trans	-89.8	165.9	170.5	-52.5	-63.1	0	0	0	110.4	L453 D454 D456 S460	L453-N458 CarbonylContact C-O 3.59Å; L453-N458 WeakPolarHBondContact CA-O 3.31Å; D454-N458 PolarHBondContact N-O 3.06Å; D454-N458 PolarHBondContact OD1-N 2.87Å; D456-N458 WeakPolarHBondContact CB-ND2 3.22Å; N458-S460 PolarHBondContact O-N 2.97Å
459	L	95.1	Very high	94.8	Very high	15 Å²	15	44.9 Å²	44.9	8%	0.079	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-70.4	127	178.7	-159.7	67	0	0	0	110.4	L416 K419 R420 I423 A452 L453 I464	L416-L459 HydrophobicContact CD1-CD1 3.46Å; L416-L459 VanDerWaalsContact CD1-CD1 3.46Å; K419-L459 HydrophobicContact CB-CB 4.5Å; K419-L459 HydrophobicContact CB-CD1 4.16Å; R420-L459 HydrophobicContact CB-CD2 4.01Å; I423-L459 HydrophobicContact CD1-CB 3.4Å; I423-L459 VanDerWaalsContact CD1-CB 3.4Å; I423-L459 HydrophobicContact CD1-CD2 3.91Å; I423-L459 HydrophobicContact CD1-CG 4.27Å; A452-L459 WeakPolarHBondContact O-CD1 3.21Å; L453-L459 HydrophobicContact CD2-CD1 4.43Å; L459-I464 HydrophobicContact CD2-CB 4.36Å; L459-I464 HydrophobicContact CD2-CG1 3.62Å; L459-I464 HydrophobicContact CG-CG1 4.02Å
460	S	96.8	Very high	94.6	Very high	22 Å²	22	46.6 Å²	46.6	15%	0.154	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-78.3	172.6	175	77.7	0	0	0	0	111.7	A451 A452 N458 I462 G463 I464	A451-S460 PolarHBondContact O-OG 3.41Å; A452-S460 PolarHBondContact O-N 3.42Å; A452-S460 PolarHBondContact O-OG 2.84Å; N458-S460 PolarHBondContact O-N 2.97Å; S460-I462 VanDerWaalsContact C-N 3.25Å; S460-I462 PolarHBondContact O-N 2.92Å; S460-I462 PolarHBondContact OG-N 2.84Å; S460-G463 PolarHBondContact O-N 3.42Å; S460-G463 VanDerWaalsContact O-N 3.11Å; S460-G463 PolarHBondContact OG-N 2.82Å; S460-I464 WeakPolarHBondContact O-CG1 3.3Å; S460-I464 PolarHBondContact O-N 3.3Å
461	E	94.6	Very high	94.5	Very high	159 Å²	159	47.7 Å²	47.7	74%	0.743	26%	0.264	S	S	*	.	H	α-helix	trans	-57.9	-40.2	171.6	-65	-177	174.4	0	0	111.9	I464 I465	E461-I464 PolarHBondContact O-N 2.97Å; E461-I465 WeakPolarHBondContact O-CG1 3.15Å; E461-I465 PolarHBondContact O-N 3.35Å; E461-I465 VanDerWaalsContact O-N 3.16Å
462	I	95.4	Very high	94.5	Very high	48 Å²	48	50.4 Å²	50.4	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-64.3	-43.8	174.9	-67	174.3	0	0	0	110	A451 S460 I464 I465 M466 K477 L480	A451-I462 HydrophobicContact CB-CD1 4.38Å; S460-I462 VanDerWaalsContact C-N 3.25Å; S460-I462 PolarHBondContact O-N 2.92Å; S460-I462 PolarHBondContact OG-N 2.84Å; I462-I464 VanDerWaalsContact C-N 3.33Å; I462-I464 PolarHBondContact O-N 2.86Å; I462-I465 PolarHBondContact O-N 3.22Å; I462-M466 HydrophobicContact CG2-CG 4.23Å; I462-M466 HydrophobicContact CG2-SD 3.61Å; I462-M466 WeakPolarHBondContact O-CB 3.29Å; I462-M466 VanDerWaalsContact O-CG 3.27Å; I462-M466 WeakPolarHBondContact O-CG 3.42Å; I462-M466 PolarHBondContact O-N 3.3Å; I462-K477 HydrophobicContact CG2-CD 4.35Å; I462-L480 HydrophobicContact CG2-CD2 3.98Å
463	G	96.7	Very high	94.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-39	177.1	0	0	0	0	0	113	A452 S460 M466 S467	A452-G463 WeakPolarHBondContact O-CA 3.43Å; S460-G463 PolarHBondContact O-N 3.42Å; S460-G463 VanDerWaalsContact O-N 3.11Å; S460-G463 PolarHBondContact OG-N 2.82Å; G463-M466 PolarHBondContact O-N 3.37Å; G463-S467 WeakPolarHBondContact O-CB 3.39Å; G463-S467 PolarHBondContact O-N 3.46Å
464	I	95.3	Very high	94.5	Very high	52 Å²	52	50.8 Å²	50.8	27%	0.267	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-50.4	174.5	-70.9	165.4	0	0	0	110.1	L459 S460 E461 I462 S467	L459-I464 HydrophobicContact CD2-CB 4.36Å; L459-I464 HydrophobicContact CD2-CG1 3.62Å; L459-I464 HydrophobicContact CG-CG1 4.02Å; S460-I464 WeakPolarHBondContact O-CG1 3.3Å; S460-I464 PolarHBondContact O-N 3.3Å; E461-I464 PolarHBondContact O-N 2.97Å; I462-I464 VanDerWaalsContact C-N 3.33Å; I462-I464 PolarHBondContact O-N 2.86Å; I464-S467 PolarHBondContact O-N 3.1Å; I464-S467 PolarHBondContact O-OG 3.17Å
465	I	95.6	Very high	94.7	Very high	58 Å²	58	48.3 Å²	48.3	30%	0.297	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-44.7	-180	-64	168.3	0	0	0	110.7	E461 I462 S467 E468 L480 I581 L583	E461-I465 WeakPolarHBondContact O-CG1 3.15Å; E461-I465 PolarHBondContact O-N 3.35Å; E461-I465 VanDerWaalsContact O-N 3.16Å; I462-I465 PolarHBondContact O-N 3.22Å; I465-S467 VanDerWaalsContact C-N 3.27Å; I465-S467 PolarHBondContact O-N 3.34Å; I465-E468 PolarHBondContact O-N 3.07Å; I465-E468 VanDerWaalsContact O-N 3.16Å; I465-L480 HydrophobicContact CG2-CD1 3.93Å; I465-L480 HydrophobicContact CG2-CD2 4.29Å; I465-I581 HydrophobicContact CG2-CD1 4.22Å; I465-L583 HydrophobicContact CG2-CD1 3.97Å
466	M	97.1	Very high	95.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-39.1	177.1	-75.1	172.5	53.6	0	0	111.9	L416 L450 A452 I462 G463 E468 I469 P473 A476 K477	L416-M466 HydrophobicContact CD2-CB 4.26Å; L450-M466 HydrophobicContact CB-CE 4.29Å; L450-M466 HydrophobicContact CD1-CE 4.27Å; A452-M466 HydrophobicContact CB-CE 4Å; A452-M466 HydrophobicContact CB-SD 4.06Å; I462-M466 HydrophobicContact CG2-CG 4.23Å; I462-M466 HydrophobicContact CG2-SD 3.61Å; I462-M466 WeakPolarHBondContact O-CB 3.29Å; I462-M466 VanDerWaalsContact O-CG 3.27Å; I462-M466 WeakPolarHBondContact O-CG 3.42Å; I462-M466 PolarHBondContact O-N 3.3Å; G463-M466 PolarHBondContact O-N 3.37Å; M466-E468 PolarHBondContact O-N 2.9Å; M466-I469 PolarHBondContact O-N 3.06Å; M466-I469 VanDerWaalsContact O-N 3.12Å; M466-P473 HydrophobicContact CE-CB 3.84Å; M466-P473 VanDerWaalsContact CE-O 3.25Å; M466-P473 WeakPolarHBondContact CE-O 3.43Å; M466-A476 HydrophobicContact CB-CB 4.29Å; M466-A476 HydrophobicContact CG-CB 4.27Å; M466-K477 HydrophobicContact CE-CB 4.21Å; M466-K477 HydrophobicContact SD-CB 4.16Å; M466-K477 HydrophobicContact SD-CD 4.12Å
467	S	95.1	Very high	95.4	Very high	18 Å²	18	35.1 Å²	35.1	13%	0.126	19%	0.189	C	C	.	.	H	α-helix	trans	-65.1	-22.3	-179.8	77.1	0	0	0	0	114	M162 G463 I464 I465	M162-S467 WeakPolarHBondContact CE-O 3.44Å; G463-S467 WeakPolarHBondContact O-CB 3.39Å; G463-S467 PolarHBondContact O-N 3.46Å; I464-S467 PolarHBondContact O-N 3.1Å; I464-S467 PolarHBondContact O-OG 3.17Å; I465-S467 VanDerWaalsContact C-N 3.27Å; I465-S467 PolarHBondContact O-N 3.34Å
468	E	93.2	Very high	95.9	Very high	29 Å²	29	34 Å²	34	14%	0.136	18%	0.177	C	C	.	.	H	α-helix	trans	-81.8	-15.6	176.6	-66.4	-71.9	147.4	0	0	112.9	R420 I465 M466 T577 R580 I581	R420-E468 IonicContact CZ-OE1 3.63Å; R420-E468 IonicContact NE-OE1 3.65Å; R420-E468 IonicContact NH2-OE1 2.81Å; R420-E468 PolarHBondContact NH2-OE1 3.19Å; I465-E468 PolarHBondContact O-N 3.07Å; I465-E468 VanDerWaalsContact O-N 3.16Å; M466-E468 PolarHBondContact O-N 2.9Å; E468-T577 WeakPolarHBondContact O-CG2 3.28Å; E468-R580 IonicContact OE2-CZ 2.88Å; E468-R580 IonicContact OE2-NH1 3.03Å; E468-R580 PolarHBondContact OE2-NH1 3.24Å; E468-R580 IonicContact OE2-NH2 3.69Å; E468-R580 PolarHBondContact OE2-NH2 2.8Å; E468-I581 HydrophobicContact CB-CG2 4.28Å; E468-I581 HydrophobicContact CG-CG2 4.48Å
469	I	95.3	Very high	96.1	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.031	16%	0.157	C	C	.	.	S	Bend	trans	-92.9	120.5	-178	-58.4	173.2	0	0	0	108.2	M466 L471 A476 L479 L574 L578 I581	M466-I469 PolarHBondContact O-N 3.06Å; M466-I469 VanDerWaalsContact O-N 3.12Å; I469-L471 HydrophobicContact CG2-CB 4.1Å; I469-L471 HydrophobicContact CG2-CD1 3.65Å; I469-L471 HydrophobicContact CG2-CG 3.82Å; I469-L471 PolarHBondContact O-N 2.84Å; I469-A476 HydrophobicContact CB-CB 4.17Å; I469-A476 HydrophobicContact CD1-CB 4.49Å; I469-A476 HydrophobicContact CG2-CB 4.23Å; I469-L479 HydrophobicContact CG2-CD2 4.17Å; I469-L574 HydrophobicContact CG2-CD2 4.17Å; I469-L578 HydrophobicContact CD1-CD2 4.27Å; I469-I581 HydrophobicContact CG1-CD1 4.3Å
470	P	92.6	Very high	96.2	Very high	48 Å²	48	30.5 Å²	30.5	31%	0.312	16%	0.159	S	C	.	.	S	Bend	trans	-78.3	57.5	-174.9	33.7	-37.5	0	0	0	112.5	R159 L574	R159-P470 VanDerWaalsContact NH2-CB 3.32Å; P470-L574 HydrophobicContact CG-CD2 3.94Å
471	L	95.4	Very high	96.3	Very high	23 Å²	23	29.8 Å²	29.8	12%	0.12	15%	0.154	C	C	.	.	S	Bend	trans	-135.9	163	-178.8	-63.5	174.9	0	0	0	110.1	I469 M475 A476 L479 A495 S499 L574	I469-L471 HydrophobicContact CG2-CB 4.1Å; I469-L471 HydrophobicContact CG2-CD1 3.65Å; I469-L471 HydrophobicContact CG2-CG 3.82Å; I469-L471 PolarHBondContact O-N 2.84Å; L471-M475 HydrophobicContact CB-CB 4.29Å; L471-M475 HydrophobicContact CB-CG 4.43Å; L471-M475 HydrophobicContact CD1-CG 3.83Å; L471-A476 HydrophobicContact CB-CB 4.38Å; L471-L479 HydrophobicContact CD1-CD2 3.95Å; L471-A495 HydrophobicContact CD1-CB 3.97Å; L471-S499 WeakPolarHBondContact CD2-OG 3.24Å; L471-L574 HydrophobicContact CD1-CD1 4Å; L471-L574 HydrophobicContact CD1-CD2 3.79Å; L471-L574 HydrophobicContact CD2-CD1 4.19Å; L471-L574 HydrophobicContact CD2-CD2 4.12Å; L471-L574 HydrophobicContact CG-CD1 4.46Å; L471-L574 HydrophobicContact CG-CD2 3.8Å
472	D	94.9	Very high	96.4	Very high	95 Å²	95	22.2 Å²	22.2	51%	0.508	12%	0.119	S	C	.	.			trans	-58.2	145	168.7	-70.3	-43.7	0	0	0	110.7	Q474 M475 A476	D472-Q474 VanDerWaalsContact C-N 3.26Å; D472-Q474 PolarHBondContact O-N 2.52Å; D472-Q474 VanDerWaalsContact O-N 3.11Å; D472-M475 PolarHBondContact O-N 3.02Å; D472-A476 PolarHBondContact O-N 2.89Å
473	P	97.6	Very high	96.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-51.4	-38.8	-175.3	-31.7	37.7	0	0	0	114.6	T412 L416 L447 L450 M466 A476 K477	T412-P473 HydrophobicContact CG2-CB 4.33Å; T412-P473 HydrophobicContact CG2-CG 3.86Å; L416-P473 HydrophobicContact CD2-CB 4.48Å; L416-P473 HydrophobicContact CD2-CG 4.05Å; L447-P473 HydrophobicContact CD2-CB 3.9Å; L447-P473 HydrophobicContact CD2-CG 3.99Å; L450-P473 HydrophobicContact CD1-CB 3.66Å; M466-P473 HydrophobicContact CE-CB 3.84Å; M466-P473 VanDerWaalsContact CE-O 3.25Å; M466-P473 WeakPolarHBondContact CE-O 3.43Å; P473-A476 PolarHBondContact O-N 3.48Å; P473-K477 WeakPolarHBondContact O-CB 3.38Å; P473-K477 PolarHBondContact O-N 3.41Å
474	Q	97	Very high	96.5	Very high	19 Å²	19	28.1 Å²	28.1	9%	0.089	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-47.9	175.3	-65.5	88.9	-24.4	0	0	111.9	E446 L450 D472 K477 A478 G606 F607 M609	E446-Q474 PolarHBondContact OE1-NE2 2.81Å; L450-Q474 HydrophobicContact CD1-CG 4.48Å; D472-Q474 VanDerWaalsContact C-N 3.26Å; D472-Q474 PolarHBondContact O-N 2.52Å; D472-Q474 VanDerWaalsContact O-N 3.11Å; Q474-K477 PolarHBondContact O-N 2.94Å; Q474-A478 PolarHBondContact O-N 3.36Å; Q474-G606 WeakPolarHBondContact CB-O 3.21Å; Q474-G606 WeakPolarHBondContact CG-O 3.5Å; Q474-G606 VanDerWaalsContact O-CA 3.28Å; Q474-G606 WeakPolarHBondContact O-CA 3.49Å; Q474-F607 HydrophobicContact CB-CD1 4.41Å; Q474-F607 HydrophobicContact CB-CE1 4.1Å; Q474-F607 HydrophobicContact CB-CE2 4.37Å; Q474-F607 HydrophobicContact CB-CZ 4.06Å; Q474-M609 HydrophobicContact CG-CE 4.17Å
475	M	98	Very high	96.5	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.034	14%	0.142	C	C	.	.	H	α-helix	trans	-72.2	-37	-179.1	-174.3	60.3	76.4	0	0	111.4	L471 D472 K477 A478 L479 I494 A495 L498 F607	L471-M475 HydrophobicContact CB-CB 4.29Å; L471-M475 HydrophobicContact CB-CG 4.43Å; L471-M475 HydrophobicContact CD1-CG 3.83Å; D472-M475 PolarHBondContact O-N 3.02Å; M475-K477 VanDerWaalsContact C-N 3.31Å; M475-K477 PolarHBondContact O-N 3.36Å; M475-A478 PolarHBondContact O-N 2.95Å; M475-A478 HydrophobicContact SD-CB 4.42Å; M475-L479 WeakPolarHBondContact O-CB 3.45Å; M475-L479 PolarHBondContact O-N 2.92Å; M475-I494 HydrophobicContact CE-CG2 4.28Å; M475-A495 HydrophobicContact CG-CB 3.76Å; M475-A495 HydrophobicContact SD-CB 3.76Å; M475-L498 HydrophobicContact CE-CB 4.35Å; M475-L498 HydrophobicContact CE-CD1 3.39Å; M475-L498 HydrophobicContact CE-CG 4.48Å; M475-F607 HydrophobicContact CB-CE2 4.37Å; M475-F607 HydrophobicContact CB-CZ 4.17Å; M475-F607 HydrophobicContact CE-CE2 3.75Å; M475-F607 HydrophobicContact CE-CZ 3.64Å; M475-F607 HydrophobicContact SD-CE2 4.02Å; M475-F607 HydrophobicContact SD-CZ 4.36Å
476	A	98.1	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-43.2	172.2	0	0	0	0	0	111.2	M466 I469 L471 D472 P473 L479 L480	M466-A476 HydrophobicContact CB-CB 4.29Å; M466-A476 HydrophobicContact CG-CB 4.27Å; I469-A476 HydrophobicContact CB-CB 4.17Å; I469-A476 HydrophobicContact CD1-CB 4.49Å; I469-A476 HydrophobicContact CG2-CB 4.23Å; L471-A476 HydrophobicContact CB-CB 4.38Å; D472-A476 PolarHBondContact O-N 2.89Å; P473-A476 PolarHBondContact O-N 3.48Å; A476-L479 PolarHBondContact O-N 3.26Å; A476-L480 WeakPolarHBondContact O-CB 3.45Å; A476-L480 PolarHBondContact O-N 3.08Å
477	K	98.2	Very high	96.6	Very high	33 Å²	33	30.3 Å²	30.3	14%	0.143	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-44	174.7	-178.5	66	176.1	-156.1	0	112.3	L450 I462 M466 P473 Q474 M475 L479 L480 A481 A605	L450-K477 HydrophobicContact CD2-CB 3.97Å; L450-K477 HydrophobicContact CD2-CG 3.96Å; L450-K477 WeakPolarHBondContact O-CE 3.42Å; L450-K477 PolarHBondContact O-NZ 3.33Å; I462-K477 HydrophobicContact CG2-CD 4.35Å; M466-K477 HydrophobicContact CE-CB 4.21Å; M466-K477 HydrophobicContact SD-CB 4.16Å; M466-K477 HydrophobicContact SD-CD 4.12Å; P473-K477 WeakPolarHBondContact O-CB 3.38Å; P473-K477 PolarHBondContact O-N 3.41Å; Q474-K477 PolarHBondContact O-N 2.94Å; M475-K477 VanDerWaalsContact C-N 3.31Å; M475-K477 PolarHBondContact O-N 3.36Å; K477-L479 VanDerWaalsContact C-N 3.34Å; K477-L479 PolarHBondContact O-N 3.35Å; K477-L480 PolarHBondContact O-N 3.18Å; K477-A481 WeakPolarHBondContact O-CB 3.46Å; K477-A481 PolarHBondContact O-N 3Å; K477-A605 VanDerWaalsContact CG-O 3.3Å; K477-A605 WeakPolarHBondContact CG-O 3.43Å
478	A	98.3	Very high	96.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-41.4	177.2	0	0	0	0	0	111.9	Q474 M475 A481 S482 A602 F607	Q474-A478 PolarHBondContact O-N 3.36Å; M475-A478 PolarHBondContact O-N 2.95Å; M475-A478 HydrophobicContact SD-CB 4.42Å; A478-A481 PolarHBondContact O-N 3.34Å; A478-S482 PolarHBondContact O-N 3.15Å; A478-A602 VanDerWaalsContact CA-O 3.3Å; A478-A602 WeakPolarHBondContact CA-O 3.27Å; A478-A602 WeakPolarHBondContact CB-O 3.17Å; A478-F607 HydrophobicContact CB-CD2 4.21Å; A478-F607 HydrophobicContact CB-CE2 4.09Å
479	L	98.3	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-41.4	175.7	-177	59.6	0	0	0	111.7	I469 L471 M475 A476 K477 S482 V488 V491 L492 L578	I469-L479 HydrophobicContact CG2-CD2 4.17Å; L471-L479 HydrophobicContact CD1-CD2 3.95Å; M475-L479 WeakPolarHBondContact O-CB 3.45Å; M475-L479 PolarHBondContact O-N 2.92Å; A476-L479 PolarHBondContact O-N 3.26Å; K477-L479 VanDerWaalsContact C-N 3.34Å; K477-L479 PolarHBondContact O-N 3.35Å; L479-S482 WeakPolarHBondContact O-CB 3.35Å; L479-S482 PolarHBondContact O-N 2.72Å; L479-S482 PolarHBondContact O-OG 3.44Å; L479-V488 HydrophobicContact CD1-CG1 4.44Å; L479-V491 HydrophobicContact CB-CG1 4.37Å; L479-V491 HydrophobicContact CD1-CB 4.4Å; L479-V491 HydrophobicContact CD1-CG1 4.08Å; L479-L492 HydrophobicContact CD1-CD2 3.82Å; L479-L492 HydrophobicContact CD1-CG 3.79Å; L479-L492 HydrophobicContact CD2-CD2 4Å; L479-L578 HydrophobicContact CD1-CD1 4.2Å; L479-L578 HydrophobicContact CD2-CD1 4.25Å; L479-L578 HydrophobicContact CD2-CD2 4.22Å; L479-L578 HydrophobicContact CD2-CG 4.48Å; L479-L578 HydrophobicContact CG-CD1 4.29Å; L479-L578 HydrophobicContact CG-CD2 4.43Å
480	L	97.6	Very high	97.1	Very high	23 Å²	23	28.7 Å²	28.7	12%	0.12	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-47.2	174.6	-176.5	60.5	0	0	0	111.4	I462 I465 A476 K477 S482 C483 L583	I462-L480 HydrophobicContact CG2-CD2 3.98Å; I465-L480 HydrophobicContact CG2-CD1 3.93Å; I465-L480 HydrophobicContact CG2-CD2 4.29Å; A476-L480 WeakPolarHBondContact O-CB 3.45Å; A476-L480 PolarHBondContact O-N 3.08Å; K477-L480 PolarHBondContact O-N 3.18Å; L480-S482 PolarHBondContact O-N 3.24Å; L480-C483 WeakPolarHBondContact O-CB 3.34Å; L480-C483 PolarHBondContact O-N 2.9Å; L480-C483 PolarHBondContact O-SG 2.96Å; L480-L583 HydrophobicContact CD1-CD1 3.76Å; L480-L583 HydrophobicContact CD1-CD2 4Å
481	A	97.8	Very high	97.4	Very high	7 Å²	7	26.4 Å²	26.4	6%	0.058	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-30	177.6	0	0	0	0	0	112.8	K477 A478 C483 E484 F485 A605	K477-A481 WeakPolarHBondContact O-CB 3.46Å; K477-A481 PolarHBondContact O-N 3Å; A478-A481 PolarHBondContact O-N 3.34Å; A481-C483 PolarHBondContact O-N 3.43Å; A481-C483 VanDerWaalsContact O-N 3.13Å; A481-E484 WeakPolarHBondContact O-CB 3.46Å; A481-E484 PolarHBondContact O-N 3.2Å; A481-F485 HydrophobicContact CB-CD2 4.49Å; A481-F485 HydrophobicContact CB-CE2 4.21Å; A481-F485 WeakPolarHBondContact O-CD2 3.32Å; A481-F485 PolarHBondContact O-N 2.75Å; A481-A605 HydrophobicContact CB-CB 3.39Å
482	S	98.1	Very high	97.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-21.8	175.7	79.9	0	0	0	0	113.6	A478 L479 L480 E484 F485 D486 C487 V488	A478-S482 PolarHBondContact O-N 3.15Å; L479-S482 WeakPolarHBondContact O-CB 3.35Å; L479-S482 PolarHBondContact O-N 2.72Å; L479-S482 PolarHBondContact O-OG 3.44Å; L480-S482 PolarHBondContact O-N 3.24Å; S482-E484 VanDerWaalsContact C-N 3.34Å; S482-F485 PolarHBondContact O-N 3.02Å; S482-D486 PolarHBondContact O-N 3.5Å; S482-D486 VanDerWaalsContact O-N 3.12Å; S482-C487 PolarHBondContact O-N 3.29Å; S482-V488 WeakPolarHBondContact O-CG2 3.22Å; S482-V488 WeakPolarHBondContact OG-CA 3.2Å
483	C	96.9	Very high	97.7	Very high	17 Å²	17	21 Å²	21	12%	0.115	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-33.2	173.1	-59.6	0	0	0	0	111.9	L480 A481 V488 P584	L480-C483 WeakPolarHBondContact O-CB 3.34Å; L480-C483 PolarHBondContact O-N 2.9Å; L480-C483 PolarHBondContact O-SG 2.96Å; A481-C483 PolarHBondContact O-N 3.43Å; A481-C483 VanDerWaalsContact O-N 3.13Å; C483-V488 HydrophobicContact CB-CG2 4.23Å; C483-P584 HydrophobicContact CB-CG 4.04Å
484	E	95.7	Very high	97.7	Very high	155 Å²	155	21 Å²	21	72%	0.724	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-28.7	177.9	-59.3	-177.4	174.8	0	0	112.3	A481 S482	A481-E484 WeakPolarHBondContact O-CB 3.46Å; A481-E484 PolarHBondContact O-N 3.2Å; S482-E484 VanDerWaalsContact C-N 3.34Å
485	F	96.5	Very high	97.8	Very high	39 Å²	39	20.1 Å²	20.1	17%	0.171	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	8.4	-178.4	-57.1	-59.5	0	0	0	113.8	A481 S482 C487 D598 R601 A602 M677	A481-F485 HydrophobicContact CB-CD2 4.49Å; A481-F485 HydrophobicContact CB-CE2 4.21Å; A481-F485 WeakPolarHBondContact O-CD2 3.32Å; A481-F485 PolarHBondContact O-N 2.75Å; S482-F485 PolarHBondContact O-N 3.02Å; F485-C487 PolarHBondContact O-N 3.18Å; F485-D598 HydrophobicContact CB-CB 3.89Å; F485-D598 WeakPolarHBondContact O-CB 3.45Å; F485-R601 HydrophobicContact CD1-CB 4.29Å; F485-R601 HydrophobicContact CD2-CB 3.97Å; F485-R601 HydrophobicContact CE1-CB 4.11Å; F485-R601 HydrophobicContact CE2-CB 3.77Å; F485-R601 HydrophobicContact CG-CB 4.24Å; F485-R601 HydrophobicContact CZ-CB 3.86Å; F485-A602 HydrophobicContact CD2-CB 4.07Å; F485-M677 HydrophobicContact CE2-CE 3.78Å; F485-M677 HydrophobicContact CE2-SD 4.49Å; F485-M677 HydrophobicContact CZ-CE 3.58Å; F485-M677 HydrophobicContact CZ-SD 3.86Å
486	D	96.2	Very high	97.8	Very high	118 Å²	118	19.8 Å²	19.8	63%	0.631	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	33.3	179.2	-67.5	-47.8	0	0	0	114.5	S482 S586	S482-D486 PolarHBondContact O-N 3.5Å; S482-D486 VanDerWaalsContact O-N 3.12Å; D486-S586 VanDerWaalsContact O-CB 3.31Å; D486-S586 WeakPolarHBondContact O-CB 3.23Å; D486-S586 PolarHBondContact O-OG 3.35Å
487	C	97.8	Very high	97.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.			trans	-122.2	25.5	-178.4	65.2	0	0	0	0	114	S482 F485 S489 E490 V491 S586 D598 I599	S482-C487 PolarHBondContact O-N 3.29Å; F485-C487 PolarHBondContact O-N 3.18Å; C487-S489 PolarHBondContact O-N 2.71Å; C487-E490 PolarHBondContact O-N 3.18Å; C487-V491 WeakPolarHBondContact O-CG2 3.37Å; C487-V491 PolarHBondContact O-N 3.08Å; C487-S586 PolarHBondContact N-OG 3.4Å; C487-D598 HydrophobicContact CB-CB 4.2Å; C487-D598 PolarHBondContact SG-O 2.56Å; C487-I599 HydrophobicContact CB-CG1 3.95Å
488	V	98.2	Very high	97.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-57.8	-42.8	-175	-174.1	0	0	0	0	112.6	L479 S482 C483 E490 V491 L492 L578 P584 I585 S586	L479-V488 HydrophobicContact CD1-CG1 4.44Å; S482-V488 WeakPolarHBondContact O-CG2 3.22Å; S482-V488 WeakPolarHBondContact OG-CA 3.2Å; C483-V488 HydrophobicContact CB-CG2 4.23Å; V488-E490 VanDerWaalsContact C-N 3.31Å; V488-E490 PolarHBondContact O-N 2.81Å; V488-V491 PolarHBondContact O-N 3.06Å; V488-L492 HydrophobicContact CG1-CD1 3.89Å; V488-L492 HydrophobicContact CG1-CG 4.13Å; V488-L492 VanDerWaalsContact O-CB 3.25Å; V488-L492 WeakPolarHBondContact O-CB 3.36Å; V488-L492 VanDerWaalsContact O-CG 3.28Å; V488-L492 WeakPolarHBondContact O-CG 3.4Å; V488-L492 PolarHBondContact O-N 2.93Å; V488-L578 HydrophobicContact CG1-CD1 3.82Å; V488-P584 WeakPolarHBondContact CG2-O 3.44Å; V488-I585 HydrophobicContact CG1-CB 4.47Å; V488-I585 HydrophobicContact CG1-CG1 4.36Å; V488-I585 HydrophobicContact CG1-CG2 4.27Å; V488-S586 PolarHBondContact N-OG 3.21Å
489	S	97.7	Very high	97.6	Very high	14 Å²	14	23.3 Å²	23.3	10%	0.098	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-40.2	-179.1	178.9	0	0	0	0	112.8	C487 T493 R571 S586	C487-S489 PolarHBondContact O-N 2.71Å; S489-T493 PolarHBondContact O-N 2.81Å; S489-T493 PolarHBondContact O-OG1 3Å; S489-R571 PolarHBondContact O-NH2 2.82Å; S489-R571 PolarHBondContact OG-NH2 2.97Å; S489-R571 VanDerWaalsContact OG-NH2 3.15Å; S489-S586 WeakPolarHBondContact CB-O 3.3Å
490	E	98.3	Very high	97.4	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-73.4	-44.2	178.1	-69.1	82.4	-160.8	0	0	111.8	C487 V488 L492 T493 I494 I533 P588 A589 F590 N595 I599	C487-E490 PolarHBondContact O-N 3.18Å; V488-E490 VanDerWaalsContact C-N 3.31Å; V488-E490 PolarHBondContact O-N 2.81Å; E490-L492 PolarHBondContact O-N 3.25Å; E490-T493 WeakPolarHBondContact O-CA 3.4Å; E490-T493 VanDerWaalsContact O-CB 3.31Å; E490-T493 WeakPolarHBondContact O-CB 3.48Å; E490-T493 PolarHBondContact O-N 3.23Å; E490-T493 VanDerWaalsContact O-N 3.09Å; E490-I494 PolarHBondContact O-N 3.34Å; E490-I533 HydrophobicContact CB-CD1 3.82Å; E490-I533 HydrophobicContact CG-CD1 4.23Å; E490-P588 WeakPolarHBondContact OE1-CA 3.32Å; E490-A589 PolarHBondContact OE1-N 3.29Å; E490-F590 HydrophobicContact CG-CB 3.91Å; E490-F590 HydrophobicContact CG-CD2 3.92Å; E490-F590 HydrophobicContact CG-CG 4.33Å; E490-F590 PolarHBondContact OE1-N 2.82Å; E490-N595 PolarHBondContact OE2-ND2 3.46Å; E490-N595 VanDerWaalsContact OE2-ND2 3.16Å; E490-I599 HydrophobicContact CB-CD1 3.66Å; E490-I599 HydrophobicContact CB-CG1 3.97Å; E490-I599 HydrophobicContact CG-CD1 3.89Å
491	V	98.5	Very high	97.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.8	-34.3	179.7	-179.9	0	0	0	0	111.8	L479 C487 V488 T493 I494 A495 A602	L479-V491 HydrophobicContact CB-CG1 4.37Å; L479-V491 HydrophobicContact CD1-CB 4.4Å; L479-V491 HydrophobicContact CD1-CG1 4.08Å; C487-V491 WeakPolarHBondContact O-CG2 3.37Å; C487-V491 PolarHBondContact O-N 3.08Å; V488-V491 PolarHBondContact O-N 3.06Å; V491-T493 PolarHBondContact O-N 3.24Å; V491-I494 PolarHBondContact O-N 3.17Å; V491-A495 WeakPolarHBondContact O-CB 3.5Å; V491-A495 PolarHBondContact O-N 3.37Å; V491-A602 HydrophobicContact CG2-CB 3.96Å
492	L	98.1	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56.6	-41	168.4	-84.7	171.1	0	0	0	112	L479 V488 E490 A496 R571 L574 L578 I585	L479-L492 HydrophobicContact CD1-CD2 3.82Å; L479-L492 HydrophobicContact CD1-CG 3.79Å; L479-L492 HydrophobicContact CD2-CD2 4Å; V488-L492 HydrophobicContact CG1-CD1 3.89Å; V488-L492 HydrophobicContact CG1-CG 4.13Å; V488-L492 VanDerWaalsContact O-CB 3.25Å; V488-L492 WeakPolarHBondContact O-CB 3.36Å; V488-L492 VanDerWaalsContact O-CG 3.28Å; V488-L492 WeakPolarHBondContact O-CG 3.4Å; V488-L492 PolarHBondContact O-N 2.93Å; E490-L492 PolarHBondContact O-N 3.25Å; L492-A496 VanDerWaalsContact O-CB 3.31Å; L492-A496 WeakPolarHBondContact O-CB 3.45Å; L492-A496 PolarHBondContact O-N 2.92Å; L492-R571 HydrophobicContact CB-CG 4.44Å; L492-L574 HydrophobicContact CD2-CB 3.58Å; L492-L574 HydrophobicContact CD2-CD1 4.37Å; L492-L578 HydrophobicContact CD1-CD1 4.07Å; L492-L578 HydrophobicContact CD2-CD1 3.79Å; L492-L578 HydrophobicContact CG-CD1 4.12Å; L492-I585 HydrophobicContact CD1-CG2 4.37Å
493	T	98.6	Very high	96.5	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-68.5	-43.9	178.8	-55.6	0	0	0	0	110.7	S489 E490 V491 A496 M497 I533 Y536 R571	S489-T493 PolarHBondContact O-N 2.81Å; S489-T493 PolarHBondContact O-OG1 3Å; E490-T493 WeakPolarHBondContact O-CA 3.4Å; E490-T493 VanDerWaalsContact O-CB 3.31Å; E490-T493 WeakPolarHBondContact O-CB 3.48Å; E490-T493 PolarHBondContact O-N 3.23Å; E490-T493 VanDerWaalsContact O-N 3.09Å; V491-T493 PolarHBondContact O-N 3.24Å; T493-A496 PolarHBondContact O-N 2.92Å; T493-M497 HydrophobicContact CG2-CG 4.38Å; T493-M497 WeakPolarHBondContact O-CB 3.13Å; T493-M497 WeakPolarHBondContact O-CG 3.38Å; T493-M497 PolarHBondContact O-N 3.04Å; T493-I533 HydrophobicContact CG2-CG1 4.33Å; T493-Y536 HydrophobicContact CG2-CD1 3.34Å; T493-Y536 HydrophobicContact CG2-CD2 4.27Å; T493-Y536 HydrophobicContact CG2-CE1 4.09Å; T493-Y536 HydrophobicContact CG2-CG 3.45Å; T493-Y536 VanDerWaalsContact CG2-CG 3.45Å; T493-R571 PolarHBondContact OG1-NE 2.91Å
494	I	98.6	Very high	96.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-50.9	175.2	-69.4	166.5	0	0	0	110.6	M475 E490 V491 A496 M497 L498 H529 I533 I599 L603	M475-I494 HydrophobicContact CE-CG2 4.28Å; E490-I494 PolarHBondContact O-N 3.34Å; V491-I494 PolarHBondContact O-N 3.17Å; I494-A496 VanDerWaalsContact C-N 3.34Å; I494-A496 PolarHBondContact O-N 3.19Å; I494-M497 PolarHBondContact O-N 3.13Å; I494-L498 HydrophobicContact CG2-CD1 3.55Å; I494-L498 HydrophobicContact CG2-CG 4.36Å; I494-L498 WeakPolarHBondContact O-CB 3.28Å; I494-L498 WeakPolarHBondContact O-CG 3.4Å; I494-L498 PolarHBondContact O-N 3.17Å; I494-H529 HydrophobicContact CD1-CB 4.09Å; I494-H529 HydrophobicContact CG1-CB 4.43Å; I494-I533 HydrophobicContact CD1-CD1 3.72Å; I494-I533 HydrophobicContact CD1-CG1 4.28Å; I494-I533 HydrophobicContact CG1-CD1 3.8Å; I494-I533 HydrophobicContact CG1-CG1 3.78Å; I494-I599 HydrophobicContact CD1-CG2 3.78Å; I494-L603 HydrophobicContact CG2-CD2 4.29Å
495	A	98.4	Very high	95.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-55.2	-50.1	179.1	0	0	0	0	0	111.1	L471 M475 V491 M497 L498 S499 L574	L471-A495 HydrophobicContact CD1-CB 3.97Å; M475-A495 HydrophobicContact CG-CB 3.76Å; M475-A495 HydrophobicContact SD-CB 3.76Å; V491-A495 WeakPolarHBondContact O-CB 3.5Å; V491-A495 PolarHBondContact O-N 3.37Å; A495-M497 PolarHBondContact O-N 3.08Å; A495-L498 PolarHBondContact O-N 3.12Å; A495-S499 WeakPolarHBondContact O-CB 3.49Å; A495-S499 PolarHBondContact O-N 2.8Å; A495-S499 PolarHBondContact O-OG 3.41Å; A495-S499 VanDerWaalsContact O-OG 3.05Å; A495-L574 HydrophobicContact CB-CD1 4.05Å
496	A	98.3	Very high	94.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-40	-179.3	0	0	0	0	0	113.6	L492 T493 I494 L498 A500 A567 I570 R571	L492-A496 VanDerWaalsContact O-CB 3.31Å; L492-A496 WeakPolarHBondContact O-CB 3.45Å; L492-A496 PolarHBondContact O-N 2.92Å; T493-A496 PolarHBondContact O-N 2.92Å; I494-A496 VanDerWaalsContact C-N 3.34Å; I494-A496 PolarHBondContact O-N 3.19Å; A496-L498 VanDerWaalsContact C-N 3.29Å; A496-L498 PolarHBondContact O-N 3.43Å; A496-A500 WeakPolarHBondContact O-CB 3.39Å; A496-A500 PolarHBondContact O-N 2.7Å; A496-A500 VanDerWaalsContact O-N 3.09Å; A496-A567 WeakPolarHBondContact CB-O 3.38Å; A496-I570 HydrophobicContact CB-CB 4.19Å; A496-I570 HydrophobicContact CB-CG2 3.96Å; A496-R571 HydrophobicContact CB-CB 3.57Å; A496-R571 HydrophobicContact CB-CG 4.35Å
497	M	98.1	Very high	93.3	Very high	11 Å²	11	28.5 Å²	28.5	5%	0.054	16%	0.157	C	C	.	.	H	α-helix	trans	-68.7	-26.8	177.2	-71.4	-70.1	-65.1	0	0	112.9	T493 I494 A495 C503 L532 I535 Y536 L564 A567	T493-M497 HydrophobicContact CG2-CG 4.38Å; T493-M497 WeakPolarHBondContact O-CB 3.13Å; T493-M497 WeakPolarHBondContact O-CG 3.38Å; T493-M497 PolarHBondContact O-N 3.04Å; I494-M497 PolarHBondContact O-N 3.13Å; A495-M497 PolarHBondContact O-N 3.08Å; M497-C503 HydrophobicContact CE-CB 4.13Å; M497-L532 HydrophobicContact CB-CB 4.04Å; M497-L532 HydrophobicContact CB-CD1 4.1Å; M497-L532 HydrophobicContact CB-CD2 4.44Å; M497-L532 HydrophobicContact CB-CG 4.42Å; M497-L532 HydrophobicContact CE-CB 4.36Å; M497-L532 HydrophobicContact CE-CD2 3.91Å; M497-L532 HydrophobicContact CG-CB 4.28Å; M497-I535 HydrophobicContact CE-CB 4.49Å; M497-I535 HydrophobicContact CE-CG2 4.16Å; M497-Y536 HydrophobicContact SD-CD2 4.02Å; M497-Y536 HydrophobicContact SD-CG 4.5Å; M497-L564 HydrophobicContact CE-CD2 3.71Å; M497-L564 HydrophobicContact SD-CD2 3.89Å; M497-A567 HydrophobicContact CG-CB 4.48Å; M497-A567 HydrophobicContact SD-CB 3.71Å
498	L	96.6	Very high	91.8	Very high	37 Å²	37	33 Å²	33	19%	0.194	19%	0.194	C	C	.	.	H	α-helix	trans	-87	-29.2	177.4	-70.9	171.4	0	0	0	113.3	M475 I494 A495 A496 L532 N654 T665	M475-L498 HydrophobicContact CE-CB 4.35Å; M475-L498 HydrophobicContact CE-CD1 3.39Å; M475-L498 HydrophobicContact CE-CG 4.48Å; I494-L498 HydrophobicContact CG2-CD1 3.55Å; I494-L498 HydrophobicContact CG2-CG 4.36Å; I494-L498 WeakPolarHBondContact O-CB 3.28Å; I494-L498 WeakPolarHBondContact O-CG 3.4Å; I494-L498 PolarHBondContact O-N 3.17Å; A495-L498 PolarHBondContact O-N 3.12Å; A496-L498 VanDerWaalsContact C-N 3.29Å; A496-L498 PolarHBondContact O-N 3.43Å; L498-L532 HydrophobicContact CD2-CD1 3.72Å; L498-L532 HydrophobicContact CG-CD1 3.95Å; L498-N654 HydrophobicContact CD1-CB 4.48Å; L498-N654 WeakPolarHBondContact CD1-OD1 3.44Å; L498-N654 HydrophobicContact CD2-CB 4.39Å; L498-T665 HydrophobicContact CD2-CG2 3.95Å
499	S	95.6	Very high	90.5	Very high	60 Å²	60	35.8 Å²	35.8	42%	0.42	22%	0.223	S	C	.	.	H	α-helix	trans	-79.8	-24.2	174.8	-60	0	0	0	0	113.3	L471 A495	L471-S499 WeakPolarHBondContact CD2-OG 3.24Å; A495-S499 WeakPolarHBondContact O-CB 3.49Å; A495-S499 PolarHBondContact O-N 2.8Å; A495-S499 PolarHBondContact O-OG 3.41Å; A495-S499 VanDerWaalsContact O-OG 3.05Å
500	A	94.5	Very high	89.2	Confident	11 Å²	11	40.6 Å²	40.6	9%	0.091	26%	0.257	C	S	.	.	S	Bend	trans	-75.4	160	171.6	0	0	0	0	0	111.5	A496 I566 A567 I570	A496-A500 WeakPolarHBondContact O-CB 3.39Å; A496-A500 PolarHBondContact O-N 2.7Å; A496-A500 VanDerWaalsContact O-N 3.09Å; A500-I566 HydrophobicContact CB-CB 4.47Å; A500-I566 HydrophobicContact CB-CG2 3.98Å; A500-A567 HydrophobicContact CB-CB 3.79Å; A500-I570 HydrophobicContact CB-CD1 4.11Å
501	P	91.3	Very high	88.2	Confident	75 Å²	75	42.8 Å²	42.8	49%	0.487	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-52.8	152.9	166.8	-24	34.2	0	0	0	111.6	C503 A563 I566	P501-C503 PolarHBondContact O-N 3.16Å; P501-A563 HydrophobicContact CB-CB 4.34Å; P501-A563 WeakPolarHBondContact O-CB 3.43Å; P501-I566 HydrophobicContact CG-CD1 4.44Å
502	S	90.2	Very high	87.3	Confident	75 Å²	75	44.6 Å²	44.6	52%	0.524	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-53.9	119.3	178.7	163.9	0	0	0	0	111.2	F504	S502-F504 PolarHBondContact O-N 2.86Å; S502-F504 PolarHBondContact OG-N 2.9Å
503	C	92.1	Very high	86.5	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.041	31%	0.313	C	S	.	.	S	Bend	trans	-68.6	-10.6	176.5	71.3	0	0	0	0	113.9	M497 P501 L559 D560 A563 L564	M497-C503 HydrophobicContact CE-CB 4.13Å; P501-C503 PolarHBondContact O-N 3.16Å; C503-L559 CarbonylContact O-C 3.38Å; C503-L559 WeakPolarHBondContact O-CA 3.39Å; C503-D560 PolarHBondContact O-N 3.19Å; C503-A563 HydrophobicContact CB-CB 4.39Å; C503-L564 HydrophobicContact CB-CD2 3.82Å; C503-L564 HydrophobicContact CB-CG 4.02Å
504	F	89.6	Confident	85.9	Confident	60 Å²	60	56.3 Å²	56.3	26%	0.263	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-84.4	121.6	177.9	-58.9	-73.7	0	0	0	111.3	S502 Q519 L532 I535 L559	S502-F504 PolarHBondContact O-N 2.86Å; S502-F504 PolarHBondContact OG-N 2.9Å; F504-Q519 HydrophobicContact CD1-CG 4.15Å; F504-Q519 HydrophobicContact CE1-CG 4.42Å; F504-L532 HydrophobicContact CE2-CD2 4.14Å; F504-L532 HydrophobicContact CZ-CD2 4.39Å; F504-I535 HydrophobicContact CE1-CD1 3.53Å; F504-I535 HydrophobicContact CZ-CD1 3.52Å; F504-L559 HydrophobicContact CD1-CD2 4.17Å; F504-L559 HydrophobicContact CE1-CD2 4.44Å
505	L	84.9	Confident	85.2	Confident	65 Å²	65	56.3 Å²	56.3	34%	0.34	34%	0.337	S	S	.	.			trans	-74.6	135.1	169	-64.6	175	0	0	0	109.6	P507 F558 L559 D560	L505-P507 WeakPolarHBondContact O-CD 3.39Å; L505-F558 HydrophobicContact CB-CB 4.45Å; L505-F558 PolarHBondContact N-O 3.05Å; L505-L559 WeakPolarHBondContact CD1-O 3.37Å; L505-D560 HydrophobicContact CD2-CB 3.78Å; L505-D560 HydrophobicContact CG-CB 4.22Å
506	R	74.3	Confident	84.3	Confident	146 Å²	146	59.1 Å²	59.1	55%	0.551	35%	0.349	S	S	*	.			trans	-98.5	92.9	173.8	-69.3	-175.4	-176.2	176.9	0.2	109.7
507	P	70.1	Confident	83.6	Confident	29 Å²	29	67.2 Å²	67.2	19%	0.188	38%	0.379	C	S	.	.			trans	-70.1	143.3	177	30.2	-36.8	0	0	0	111.3	L505 T511 T512 A515 F558	L505-P507 WeakPolarHBondContact O-CD 3.39Å; P507-T511 WeakPolarHBondContact CB-OG1 3.25Å; P507-T512 PolarHBondContact O-OG1 3.24Å; P507-A515 HydrophobicContact CG-CB 3.7Å; P507-F558 HydrophobicContact CB-CD1 4.21Å; P507-F558 HydrophobicContact CB-CE1 4.11Å; P507-F558 HydrophobicContact CG-CD1 4.01Å; P507-F558 HydrophobicContact CG-CE1 4.15Å
508	A	66.7	Low	83	Confident	94 Å²	94	67.4 Å²	67.4	78%	0.777	38%	0.382	S	S	*	.			trans	-85.1	139.9	173.1	0	0	0	0	0	111.3	T511	A508-T511 PolarHBondContact O-OG1 2.93Å
509	G	70.1	Confident	82.4	Confident	60 Å²	60	66.3 Å²	66.3	62%	0.619	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	78.7	-135.9	169.2	0	0	0	0	0	115.2	T511 T512	G509-T511 VanDerWaalsContact C-N 3.31Å; G509-T511 PolarHBondContact O-N 2.87Å; G509-T512 PolarHBondContact O-N 3.27Å; G509-T512 PolarHBondContact O-OG1 3.11Å
510	S	71.1	Confident	81.8	Confident	116 Å²	116	68 Å²	68	81%	0.811	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-68.7	-20.9	-166.5	52.6	0	0	0	0	115.2	T512	S510-T512 VanDerWaalsContact C-N 3.3Å; S510-T512 PolarHBondContact O-N 2.87Å
511	T	77.2	Confident	81.5	Confident	49 Å²	49	74 Å²	74	30%	0.301	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-80.9	-7.5	-178.7	44.4	0	0	0	0	113.6	P507 A508 G509 Q513 E514 A515	P507-T511 WeakPolarHBondContact CB-OG1 3.25Å; A508-T511 PolarHBondContact O-OG1 2.93Å; G509-T511 VanDerWaalsContact C-N 3.31Å; G509-T511 PolarHBondContact O-N 2.87Å; T511-Q513 VanDerWaalsContact C-N 3.3Å; T511-Q513 PolarHBondContact O-N 3.16Å; T511-E514 WeakPolarHBondContact O-CB 3.43Å; T511-E514 PolarHBondContact O-N 2.93Å; T511-A515 PolarHBondContact O-N 3.23Å
512	T	79.1	Confident	81.6	Confident	39 Å²	39	71.1 Å²	71.1	24%	0.239	38%	0.377	C	S	.	.	H	α-helix	trans	-54.4	-43.4	176.6	-50.4	0	0	0	0	112.5	P507 G509 S510 E514 A515 F516 F635	P507-T512 PolarHBondContact O-OG1 3.24Å; G509-T512 PolarHBondContact O-N 3.27Å; G509-T512 PolarHBondContact O-OG1 3.11Å; S510-T512 VanDerWaalsContact C-N 3.3Å; S510-T512 PolarHBondContact O-N 2.87Å; T512-E514 VanDerWaalsContact C-N 3.3Å; T512-E514 PolarHBondContact O-N 3.47Å; T512-A515 PolarHBondContact O-N 3.34Å; T512-F516 HydrophobicContact CG2-CD2 4Å; T512-F516 HydrophobicContact CG2-CE2 3.57Å; T512-F516 HydrophobicContact CG2-CZ 4.49Å; T512-F516 WeakPolarHBondContact O-CD2 3.49Å; T512-F516 PolarHBondContact O-N 2.84Å; T512-F516 VanDerWaalsContact O-N 3.13Å; T512-F635 HydrophobicContact CG2-CZ 4.47Å
513	Q	81.6	Confident	81.5	Confident	140 Å²	140	71 Å²	71	65%	0.654	37%	0.368	S	S	*	.	H	α-helix	trans	-67.5	-30.7	179.2	-67.8	-172.6	2.7	0	0	113.1	T511 R517	T511-Q513 VanDerWaalsContact C-N 3.3Å; T511-Q513 PolarHBondContact O-N 3.16Å; Q513-R517 WeakPolarHBondContact O-CG 3.43Å; Q513-R517 PolarHBondContact O-N 2.9Å
514	E	84.8	Confident	81.5	Confident	110 Å²	110	72.1 Å²	72.1	51%	0.514	37%	0.372	S	S	.	.	H	α-helix	trans	-72.8	-44.6	177.4	-172.7	171.1	-162.2	0	0	110.9	T511 T512 F516 R517 C518 F558	T511-E514 WeakPolarHBondContact O-CB 3.43Å; T511-E514 PolarHBondContact O-N 2.93Å; T512-E514 VanDerWaalsContact C-N 3.3Å; T512-E514 PolarHBondContact O-N 3.47Å; E514-F516 VanDerWaalsContact C-N 3.3Å; E514-F516 PolarHBondContact O-N 3.13Å; E514-R517 WeakPolarHBondContact O-CA 3.49Å; E514-R517 WeakPolarHBondContact O-CB 3.33Å; E514-R517 PolarHBondContact O-N 2.73Å; E514-C518 PolarHBondContact O-N 2.77Å; E514-F558 HydrophobicContact CB-CE2 4.4Å; E514-F558 HydrophobicContact CB-CZ 4.33Å; E514-F558 HydrophobicContact CG-CE2 3.99Å; E514-F558 HydrophobicContact CG-CZ 4.2Å
515	A	83.6	Confident	81.5	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-54.2	-47	172.3	0	0	0	0	0	111.9	P507 T511 T512 R517 C518 Q519 F558	P507-A515 HydrophobicContact CG-CB 3.7Å; T511-A515 PolarHBondContact O-N 3.23Å; T512-A515 PolarHBondContact O-N 3.34Å; A515-R517 VanDerWaalsContact C-N 3.25Å; A515-R517 PolarHBondContact O-N 3.28Å; A515-C518 PolarHBondContact O-N 3.4Å; A515-Q519 WeakPolarHBondContact O-CB 3.48Å; A515-Q519 VanDerWaalsContact O-CG 3.32Å; A515-Q519 WeakPolarHBondContact O-CG 3.4Å; A515-Q519 PolarHBondContact O-N 3.02Å; A515-F558 VanDerWaalsContact CA-CD2 3.49Å; A515-F558 HydrophobicContact CB-CB 3.86Å; A515-F558 HydrophobicContact CB-CD1 3.7Å; A515-F558 HydrophobicContact CB-CD2 3.82Å; A515-F558 HydrophobicContact CB-CE1 4.14Å; A515-F558 HydrophobicContact CB-CE2 4.25Å; A515-F558 HydrophobicContact CB-CG 3.51Å; A515-F558 HydrophobicContact CB-CZ 4.38Å
516	F	79.8	Confident	81.8	Confident	58 Å²	58	71.3 Å²	71.3	25%	0.254	38%	0.375	S	S	.	.	H	α-helix	trans	-59	-33.5	174.2	-78.3	-59.2	0	0	0	113.7	T512 E514 R520 F635	T512-F516 HydrophobicContact CG2-CD2 4Å; T512-F516 HydrophobicContact CG2-CE2 3.57Å; T512-F516 HydrophobicContact CG2-CZ 4.49Å; T512-F516 WeakPolarHBondContact O-CD2 3.49Å; T512-F516 PolarHBondContact O-N 2.84Å; T512-F516 VanDerWaalsContact O-N 3.13Å; E514-F516 VanDerWaalsContact C-N 3.3Å; E514-F516 PolarHBondContact O-N 3.13Å; F516-R520 VanDerWaalsContact O-CB 3.29Å; F516-R520 WeakPolarHBondContact O-CB 3.35Å; F516-R520 WeakPolarHBondContact O-CG 3.49Å; F516-R520 PolarHBondContact O-N 3.03Å; F516-R520 PolarHBondContact O-NE 3.04Å; F516-F635 AromaticContact CD1-CD1 3.9Å; F516-F635 HydrophobicContact CD1-CD1 3.9Å; F516-F635 HydrophobicContact CD1-CE1 4.03Å; F516-F635 HydrophobicContact CE1-CB 4.38Å; F516-F635 AromaticContact CE1-CD1 3.17Å; F516-F635 HydrophobicContact CE1-CD1 3.17Å; F516-F635 HydrophobicContact CE1-CD2 4.43Å; F516-F635 AromaticContact CE1-CE1 3.37Å; F516-F635 HydrophobicContact CE1-CE1 3.37Å; F516-F635 AromaticContact CE1-CG 3.75Å; F516-F635 HydrophobicContact CE1-CG 3.75Å; F516-F635 HydrophobicContact CE1-CZ 4.11Å; F516-F635 HydrophobicContact CE2-CE1 4.06Å; F516-F635 HydrophobicContact CE2-CZ 4.25Å; F516-F635 AromaticContact CZ-CD1 3.61Å; F516-F635 HydrophobicContact CZ-CD1 3.61Å; F516-F635 HydrophobicContact CZ-CD2 4.29Å; F516-F635 AromaticContact CZ-CE1 3.37Å; F516-F635 HydrophobicContact CZ-CE1 3.37Å; F516-F635 HydrophobicContact CZ-CE2 4.1Å; F516-F635 HydrophobicContact CZ-CG 4.06Å; F516-F635 AromaticContact CZ-CZ 3.64Å; F516-F635 HydrophobicContact CZ-CZ 3.64Å
517	R	83.9	Confident	82.7	Confident	170 Å²	170	64.4 Å²	64.4	64%	0.642	35%	0.349	S	S	*	.	H	α-helix	trans	-74.6	-38.2	177.5	-75.1	174.6	176.9	-179.3	1.8	111.7	Q513 E514 A515	Q513-R517 WeakPolarHBondContact O-CG 3.43Å; Q513-R517 PolarHBondContact O-N 2.9Å; E514-R517 WeakPolarHBondContact O-CA 3.49Å; E514-R517 WeakPolarHBondContact O-CB 3.33Å; E514-R517 PolarHBondContact O-N 2.73Å; A515-R517 VanDerWaalsContact C-N 3.25Å; A515-R517 PolarHBondContact O-N 3.28Å
518	C	86.4	Confident	83.8	Confident	16 Å²	16	63.8 Å²	63.8	11%	0.108	35%	0.345	C	S	.	.	H	α-helix	trans	-69.6	-50.2	177	-72.9	0	0	0	0	111.6	E514 A515 R520 K521 D556 Y557 F558	E514-C518 PolarHBondContact O-N 2.77Å; A515-C518 PolarHBondContact O-N 3.4Å; C518-R520 PolarHBondContact O-N 3.39Å; C518-K521 VanDerWaalsContact O-CB 3.3Å; C518-K521 WeakPolarHBondContact O-CB 3.49Å; C518-K521 WeakPolarHBondContact O-CG 3.48Å; C518-K521 PolarHBondContact O-N 3.37Å; C518-K521 VanDerWaalsContact O-N 3.07Å; C518-D556 PolarHBondContact SG-O 3.36Å; C518-Y557 HydrophobicContact CB-CD1 4.3Å; C518-F558 HydrophobicContact CB-CD2 4.21Å
519	Q	82.7	Confident	85.3	Confident	13 Å²	13	59.3 Å²	59.3	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-31.1	-178.9	-69	170.7	-4.7	0	0	112.3	F504 A515 K521 F522 F558	F504-Q519 HydrophobicContact CD1-CG 4.15Å; F504-Q519 HydrophobicContact CE1-CG 4.42Å; A515-Q519 WeakPolarHBondContact O-CB 3.48Å; A515-Q519 VanDerWaalsContact O-CG 3.32Å; A515-Q519 WeakPolarHBondContact O-CG 3.4Å; A515-Q519 PolarHBondContact O-N 3.02Å; Q519-K521 PolarHBondContact O-N 2.9Å; Q519-F522 PolarHBondContact O-N 2.89Å; Q519-F558 PolarHBondContact NE2-O 3.28Å
520	R	83.9	Confident	86.6	Confident	96 Å²	96	56.5 Å²	56.5	36%	0.362	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-54.4	-25.7	172.9	-96.1	-173.2	-81.5	-163.7	-10.4	114.7	F516 C518 F522 Q523	F516-R520 VanDerWaalsContact O-CB 3.29Å; F516-R520 WeakPolarHBondContact O-CB 3.35Å; F516-R520 WeakPolarHBondContact O-CG 3.49Å; F516-R520 PolarHBondContact O-N 3.03Å; F516-R520 PolarHBondContact O-NE 3.04Å; C518-R520 PolarHBondContact O-N 3.39Å; R520-F522 PolarHBondContact O-N 3.02Å; R520-Q523 PolarHBondContact O-N 3.17Å
521	K	89.1	Confident	87.7	Confident	136 Å²	136	51.3 Å²	51.3	59%	0.591	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-67.4	-20.3	179.3	-63.7	169.4	177.8	173.6	0	112.9	C518 Q519 Y557	C518-K521 VanDerWaalsContact O-CB 3.3Å; C518-K521 WeakPolarHBondContact O-CB 3.49Å; C518-K521 WeakPolarHBondContact O-CG 3.48Å; C518-K521 PolarHBondContact O-N 3.37Å; C518-K521 VanDerWaalsContact O-N 3.07Å; Q519-K521 PolarHBondContact O-N 2.9Å; K521-Y557 HydrophobicContact CD-CD1 4.31Å; K521-Y557 HydrophobicContact CD-CE1 3.54Å
522	F	91.6	Very high	88.7	Confident	15 Å²	15	49.4 Å²	49.4	7%	0.066	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-99.6	-7.5	178.4	-53.2	-70.2	0	0	0	113.4	Q519 R520 H524 T531 N534 I535 W553 Y557 L559	Q519-F522 PolarHBondContact O-N 2.89Å; R520-F522 PolarHBondContact O-N 3.02Å; F522-H524 PolarHBondContact O-N 3.12Å; F522-T531 HydrophobicContact CB-CG2 4.39Å; F522-N534 HydrophobicContact CB-CB 4.31Å; F522-N534 VanDerWaalsContact O-CB 3.27Å; F522-N534 WeakPolarHBondContact O-CB 3.34Å; F522-N534 PolarHBondContact O-ND2 3.21Å; F522-I535 HydrophobicContact CB-CD1 4.46Å; F522-I535 HydrophobicContact CB-CG1 3.66Å; F522-I535 HydrophobicContact CD1-CG1 4.39Å; F522-I535 HydrophobicContact CD2-CG1 4.05Å; F522-I535 HydrophobicContact CG-CG1 3.79Å; F522-W553 HydrophobicContact CE1-CH2 4.36Å; F522-W553 AromaticContact CE1-CZ2 3.88Å; F522-W553 HydrophobicContact CE1-CZ2 3.88Å; F522-W553 HydrophobicContact CZ-CH2 4.08Å; F522-W553 AromaticContact CZ-CZ2 3.59Å; F522-W553 HydrophobicContact CZ-CZ2 3.59Å; F522-Y557 AromaticContact CE2-CD1 3.4Å; F522-Y557 HydrophobicContact CE2-CD1 3.4Å; F522-Y557 VanDerWaalsContact CE2-CD1 3.4Å; F522-Y557 HydrophobicContact CE2-CE1 4.19Å; F522-Y557 HydrophobicContact CE2-CG 4.01Å; F522-Y557 AromaticContact CZ-CD1 3.41Å; F522-Y557 HydrophobicContact CZ-CD1 3.41Å; F522-Y557 VanDerWaalsContact CZ-CD1 3.41Å; F522-Y557 AromaticContact CZ-CE1 3.86Å; F522-Y557 HydrophobicContact CZ-CE1 3.86Å; F522-Y557 AromaticContact CZ-CG 3.95Å; F522-Y557 HydrophobicContact CZ-CG 3.95Å; F522-L559 HydrophobicContact CE2-CD1 4.03Å; F522-L559 HydrophobicContact CZ-CD1 4.32Å
523	Q	89.9	Confident	89.6	Confident	72 Å²	72	47.6 Å²	47.6	34%	0.336	22%	0.219	S	C	.	.			trans	-59	134.7	-175.1	-79.7	-179.3	-8	0	0	111.6	R520	R520-Q523 PolarHBondContact O-N 3.17Å
524	H	91.9	Very high	90.3	Very high	30 Å²	30	42.8 Å²	42.8	14%	0.139	20%	0.197	C	C	.	.			trans	-105.6	139	173.1	-164.1	-87.4	0	0	0	110.2	F522 D526 G527 F530 T531 F590	F522-H524 PolarHBondContact O-N 3.12Å; H524-D526 VanDerWaalsContact C-N 3.27Å; H524-D526 IonicContact CE1-OD2 2.87Å; H524-D526 PolarHBondContact CE1-OD2 2.8Å; H524-D526 WeakPolarHBondContact ND1-CB 3.29Å; H524-D526 PolarHBondContact ND1-N 2.89Å; H524-D526 VanDerWaalsContact ND1-N 3.19Å; H524-D526 IonicContact ND1-OD2 3.84Å; H524-D526 PolarHBondContact O-N 3.23Å; H524-G527 PolarHBondContact O-N 3.42Å; H524-G527 VanDerWaalsContact O-N 3.08Å; H524-F530 HydrophobicContact CB-CB 3.47Å; H524-F530 VanDerWaalsContact CB-CB 3.47Å; H524-F530 AromaticContact CE1-CD1 3.76Å; H524-F530 VanDerWaalsContact ND1-CB 3.3Å; H524-F530 WeakPolarHBondContact ND1-CB 3.42Å; H524-F530 AromaticContact ND1-CD1 3.8Å; H524-F530 AromaticContact ND1-CG 3.64Å; H524-T531 PolarHBondContact N-OG1 3.08Å; H524-F590 AromaticContact CD2-CZ 3.78Å; H524-F590 AromaticContact NE2-CZ 3.92Å
525	P	88.9	Confident	90.9	Very high	77 Å²	77	37.6 Å²	37.6	50%	0.5	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.5	-178.9	23.3	-34.5	0	0	0	113.7	G527 Y638	P525-G527 PolarHBondContact O-N 2.78Å; P525-Y638 PolarHBondContact O-OH 2.89Å
526	D	91.6	Very high	91.5	Very high	32 Å²	32	38.4 Å²	38.4	17%	0.171	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	2.5	176.7	-64.9	-72.8	0	0	0	114.6	H524 F530 T596 K600 Y638 S667	H524-D526 VanDerWaalsContact C-N 3.27Å; H524-D526 IonicContact CE1-OD2 2.87Å; H524-D526 PolarHBondContact CE1-OD2 2.8Å; H524-D526 WeakPolarHBondContact ND1-CB 3.29Å; H524-D526 PolarHBondContact ND1-N 2.89Å; H524-D526 VanDerWaalsContact ND1-N 3.19Å; H524-D526 IonicContact ND1-OD2 3.84Å; H524-D526 PolarHBondContact O-N 3.23Å; D526-F530 HydrophobicContact CB-CD1 4.11Å; D526-F530 HydrophobicContact CB-CD2 3.62Å; D526-F530 HydrophobicContact CB-CE1 4.24Å; D526-F530 HydrophobicContact CB-CE2 3.73Å; D526-F530 HydrophobicContact CB-CG 3.86Å; D526-F530 HydrophobicContact CB-CZ 4.06Å; D526-F530 WeakPolarHBondContact O-CD2 3.48Å; D526-T596 HydrophobicContact CB-CG2 4.23Å; D526-T596 VanDerWaalsContact CG-CG2 3.46Å; D526-T596 VanDerWaalsContact OD2-CG2 3.31Å; D526-T596 WeakPolarHBondContact OD2-CG2 3.48Å; D526-K600 WeakPolarHBondContact OD1-CE 3.48Å; D526-K600 IonicContact OD1-NZ 3.45Å; D526-K600 PolarHBondContact OD1-NZ 3.42Å; D526-Y638 PolarHBondContact O-OH 2.92Å; D526-S667 VanDerWaalsContact O-CB 3.28Å; D526-S667 WeakPolarHBondContact O-CB 3.36Å; D526-S667 PolarHBondContact O-OG 3.49Å
527	G	92.7	Very high	92.4	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	113.6	-163.4	165.9	0	0	0	0	0	115.7	H524 P525 F530 T531 Y638 V666	H524-G527 PolarHBondContact O-N 3.42Å; H524-G527 VanDerWaalsContact O-N 3.08Å; P525-G527 PolarHBondContact O-N 2.78Å; G527-F530 PolarHBondContact O-N 2.99Å; G527-T531 PolarHBondContact O-N 2.65Å; G527-T531 PolarHBondContact O-OG1 3.28Å; G527-Y638 VanDerWaalsContact CA-CZ 3.49Å; G527-Y638 WeakPolarHBondContact CA-OH 3.43Å; G527-Y638 PolarHBondContact N-OH 3.05Å; G527-Y638 VanDerWaalsContact N-OH 3.13Å; G527-V666 WeakPolarHBondContact CA-O 3Å
528	D	94.3	Very high	92.9	Very high	17 Å²	17	32.3 Å²	32.3	9%	0.091	16%	0.161	C	C	.	.	H	α-helix	trans	-73.3	-38.9	-166.5	-62.9	-31.5	0	0	0	112.4	F530 T531 L532 S636 G637 T665 V666	D528-F530 PolarHBondContact O-N 2.77Å; D528-T531 CarbonylContact O-C 3.47Å; D528-T531 WeakPolarHBondContact O-CA 3Å; D528-T531 VanDerWaalsContact O-CB 3.31Å; D528-T531 WeakPolarHBondContact O-CB 3.01Å; D528-T531 PolarHBondContact O-N 3.12Å; D528-L532 WeakPolarHBondContact O-CG 3.41Å; D528-L532 PolarHBondContact O-N 3.12Å; D528-S636 PolarHBondContact OD1-OG 2.83Å; D528-S636 WeakPolarHBondContact OD2-CB 3.42Å; D528-S636 PolarHBondContact OD2-OG 3.07Å; D528-G637 PolarHBondContact OD1-N 2.8Å; D528-T665 HydrophobicContact CB-CG2 3.75Å; D528-V666 WeakPolarHBondContact CB-O 3.46Å; D528-V666 PolarHBondContact N-O 3.27Å; D528-V666 PolarHBondContact OD2-N 2.92Å
529	H	97.1	Very high	93.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56.4	-42.4	175.8	-60.7	90.8	0	0	0	111.3	I494 L532 I533 L603 T665 S667	I494-H529 HydrophobicContact CD1-CB 4.09Å; I494-H529 HydrophobicContact CG1-CB 4.43Å; H529-L532 PolarHBondContact O-N 2.82Å; H529-I533 PolarHBondContact O-N 3.2Å; H529-L603 HydrophobicContact CB-CD1 4.04Å; H529-T665 PolarHBondContact CE1-O 2.81Å; H529-S667 WeakPolarHBondContact ND1-CB 3.41Å; H529-S667 PolarHBondContact ND1-OG 3.41Å
530	F	96.9	Very high	94	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-71.8	-32.8	176.9	-65	-99.9	0	0	0	112.3	H524 D526 G527 D528 L532 I533 N534 F590 T596 I599 K600	H524-F530 HydrophobicContact CB-CB 3.47Å; H524-F530 VanDerWaalsContact CB-CB 3.47Å; H524-F530 AromaticContact CE1-CD1 3.76Å; H524-F530 VanDerWaalsContact ND1-CB 3.3Å; H524-F530 WeakPolarHBondContact ND1-CB 3.42Å; H524-F530 AromaticContact ND1-CD1 3.8Å; H524-F530 AromaticContact ND1-CG 3.64Å; D526-F530 HydrophobicContact CB-CD1 4.11Å; D526-F530 HydrophobicContact CB-CD2 3.62Å; D526-F530 HydrophobicContact CB-CE1 4.24Å; D526-F530 HydrophobicContact CB-CE2 3.73Å; D526-F530 HydrophobicContact CB-CG 3.86Å; D526-F530 HydrophobicContact CB-CZ 4.06Å; D526-F530 WeakPolarHBondContact O-CD2 3.48Å; G527-F530 PolarHBondContact O-N 2.99Å; D528-F530 PolarHBondContact O-N 2.77Å; F530-L532 VanDerWaalsContact C-N 3.32Å; F530-I533 WeakPolarHBondContact O-CB 3.48Å; F530-I533 PolarHBondContact O-N 2.83Å; F530-N534 PolarHBondContact O-N 3.3Å; F530-N534 VanDerWaalsContact O-N 3.11Å; F530-F590 HydrophobicContact CB-CE2 4.46Å; F530-F590 HydrophobicContact CB-CZ 4.34Å; F530-F590 AromaticContact CD1-CE2 3.69Å; F530-F590 HydrophobicContact CD1-CE2 3.69Å; F530-F590 HydrophobicContact CD1-CZ 4.23Å; F530-F590 HydrophobicContact CE1-CE2 4.45Å; F530-T596 HydrophobicContact CE1-CG2 3.86Å; F530-T596 HydrophobicContact CZ-CG2 4Å; F530-I599 HydrophobicContact CD1-CD1 4.49Å; F530-I599 HydrophobicContact CE1-CB 4.18Å; F530-I599 HydrophobicContact CE1-CD1 3.84Å; F530-I599 HydrophobicContact CE1-CG2 4.11Å; F530-I599 HydrophobicContact CE2-CG2 4.35Å; F530-I599 HydrophobicContact CZ-CB 3.99Å; F530-I599 HydrophobicContact CZ-CG2 3.75Å; F530-K600 HydrophobicContact CE2-CG 4.16Å; F530-K600 HydrophobicContact CZ-CG 3.94Å
531	T	95.3	Very high	94.5	Very high	7 Å²	7	35 Å²	35	4%	0.043	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-37.9	173.9	-60.1	0	0	0	0	111.2	F522 H524 G527 D528 I533 N534 I535	F522-T531 HydrophobicContact CB-CG2 4.39Å; H524-T531 PolarHBondContact N-OG1 3.08Å; G527-T531 PolarHBondContact O-N 2.65Å; G527-T531 PolarHBondContact O-OG1 3.28Å; D528-T531 CarbonylContact O-C 3.47Å; D528-T531 WeakPolarHBondContact O-CA 3Å; D528-T531 VanDerWaalsContact O-CB 3.31Å; D528-T531 WeakPolarHBondContact O-CB 3.01Å; D528-T531 PolarHBondContact O-N 3.12Å; T531-I533 VanDerWaalsContact C-N 3.32Å; T531-I533 PolarHBondContact O-N 2.63Å; T531-N534 WeakPolarHBondContact O-CB 3.49Å; T531-N534 PolarHBondContact O-N 3.17Å; T531-I535 HydrophobicContact CG2-CD1 4.12Å; T531-I535 WeakPolarHBondContact O-CG1 3.37Å; T531-I535 PolarHBondContact O-N 3.17Å
532	L	97.1	Very high	94.7	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-61.4	-39.6	173.9	-64.4	175.8	0	0	0	111.9	M497 L498 F504 D528 H529 F530 I535 Y536 T665	M497-L532 HydrophobicContact CB-CB 4.04Å; M497-L532 HydrophobicContact CB-CD1 4.1Å; M497-L532 HydrophobicContact CB-CD2 4.44Å; M497-L532 HydrophobicContact CB-CG 4.42Å; M497-L532 HydrophobicContact CE-CB 4.36Å; M497-L532 HydrophobicContact CE-CD2 3.91Å; M497-L532 HydrophobicContact CG-CB 4.28Å; L498-L532 HydrophobicContact CD2-CD1 3.72Å; L498-L532 HydrophobicContact CG-CD1 3.95Å; F504-L532 HydrophobicContact CE2-CD2 4.14Å; F504-L532 HydrophobicContact CZ-CD2 4.39Å; D528-L532 WeakPolarHBondContact O-CG 3.41Å; D528-L532 PolarHBondContact O-N 3.12Å; H529-L532 PolarHBondContact O-N 2.82Å; F530-L532 VanDerWaalsContact C-N 3.32Å; L532-I535 PolarHBondContact O-N 3.26Å; L532-Y536 WeakPolarHBondContact O-CB 3.48Å; L532-Y536 PolarHBondContact O-N 2.94Å; L532-T665 HydrophobicContact CD1-CG2 4.16Å
533	I	97.9	Very high	94.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-45.4	173.7	-62.4	167.8	0	0	0	110.8	E490 T493 I494 H529 F530 T531 I535 Y536 N537 F590 I599	E490-I533 HydrophobicContact CB-CD1 3.82Å; E490-I533 HydrophobicContact CG-CD1 4.23Å; T493-I533 HydrophobicContact CG2-CG1 4.33Å; I494-I533 HydrophobicContact CD1-CD1 3.72Å; I494-I533 HydrophobicContact CD1-CG1 4.28Å; I494-I533 HydrophobicContact CG1-CD1 3.8Å; I494-I533 HydrophobicContact CG1-CG1 3.78Å; H529-I533 PolarHBondContact O-N 3.2Å; F530-I533 WeakPolarHBondContact O-CB 3.48Å; F530-I533 PolarHBondContact O-N 2.83Å; T531-I533 VanDerWaalsContact C-N 3.32Å; T531-I533 PolarHBondContact O-N 2.63Å; I533-I535 VanDerWaalsContact C-N 3.33Å; I533-I535 PolarHBondContact O-N 3.29Å; I533-Y536 PolarHBondContact O-N 3.24Å; I533-N537 WeakPolarHBondContact CG2-ND2 3.3Å; I533-N537 WeakPolarHBondContact O-CB 3.43Å; I533-N537 VanDerWaalsContact O-CG 3.3Å; I533-N537 PolarHBondContact O-N 2.83Å; I533-N537 PolarHBondContact O-ND2 2.71Å; I533-F590 HydrophobicContact CB-CD2 4.46Å; I533-F590 HydrophobicContact CB-CE1 4.46Å; I533-F590 HydrophobicContact CB-CE2 3.97Å; I533-F590 HydrophobicContact CB-CZ 3.98Å; I533-F590 HydrophobicContact CD1-CD2 3.88Å; I533-F590 HydrophobicContact CD1-CE2 3.54Å; I533-F590 HydrophobicContact CD1-CZ 4.37Å; I533-F590 HydrophobicContact CG1-CE2 4.37Å; I533-F590 HydrophobicContact CG2-CD1 3.91Å; I533-F590 HydrophobicContact CG2-CD2 3.82Å; I533-F590 HydrophobicContact CG2-CE1 3.92Å; I533-F590 HydrophobicContact CG2-CE2 3.78Å; I533-F590 HydrophobicContact CG2-CG 3.85Å; I533-F590 HydrophobicContact CG2-CZ 3.84Å; I533-I599 HydrophobicContact CD1-CD1 4.27Å
534	N	97	Very high	94.7	Very high	39 Å²	39	39.5 Å²	39.5	21%	0.209	20%	0.196	C	C	.	.	H	α-helix	trans	-58.7	-44.2	177	-82.6	-18.6	0	0	0	112.4	F522 F530 T531 S538 F590	F522-N534 HydrophobicContact CB-CB 4.31Å; F522-N534 VanDerWaalsContact O-CB 3.27Å; F522-N534 WeakPolarHBondContact O-CB 3.34Å; F522-N534 PolarHBondContact O-ND2 3.21Å; F530-N534 PolarHBondContact O-N 3.3Å; F530-N534 VanDerWaalsContact O-N 3.11Å; T531-N534 WeakPolarHBondContact O-CB 3.49Å; T531-N534 PolarHBondContact O-N 3.17Å; N534-S538 VanDerWaalsContact O-CB 3.3Å; N534-S538 WeakPolarHBondContact O-CB 3.27Å; N534-S538 PolarHBondContact O-N 2.94Å; N534-S538 PolarHBondContact O-OG 3.13Å; N534-F590 VanDerWaalsContact OD1-CE1 3.27Å; N534-F590 WeakPolarHBondContact OD1-CE1 3.19Å
535	I	96.9	Very high	94.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-51.6	178.2	-68.6	168.1	0	0	0	109.8	M497 F504 F522 T531 L532 I533 N537 S538 F539 L559 L564	M497-I535 HydrophobicContact CE-CB 4.49Å; M497-I535 HydrophobicContact CE-CG2 4.16Å; F504-I535 HydrophobicContact CE1-CD1 3.53Å; F504-I535 HydrophobicContact CZ-CD1 3.52Å; F522-I535 HydrophobicContact CB-CD1 4.46Å; F522-I535 HydrophobicContact CB-CG1 3.66Å; F522-I535 HydrophobicContact CD1-CG1 4.39Å; F522-I535 HydrophobicContact CD2-CG1 4.05Å; F522-I535 HydrophobicContact CG-CG1 3.79Å; T531-I535 HydrophobicContact CG2-CD1 4.12Å; T531-I535 WeakPolarHBondContact O-CG1 3.37Å; T531-I535 PolarHBondContact O-N 3.17Å; L532-I535 PolarHBondContact O-N 3.26Å; I533-I535 VanDerWaalsContact C-N 3.33Å; I533-I535 PolarHBondContact O-N 3.29Å; I535-N537 PolarHBondContact O-N 2.84Å; I535-S538 WeakPolarHBondContact O-CB 3.36Å; I535-S538 PolarHBondContact O-N 2.95Å; I535-F539 WeakPolarHBondContact O-CB 3.41Å; I535-F539 PolarHBondContact O-N 2.87Å; I535-L559 HydrophobicContact CD1-CD2 4.39Å; I535-L559 HydrophobicContact CG2-CD1 3.93Å; I535-L559 HydrophobicContact CG2-CD2 4.23Å; I535-L564 HydrophobicContact CG2-CD2 3.87Å
536	Y	97.9	Very high	94.2	Very high	16 Å²	16	46.5 Å²	46.5	6%	0.063	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-47.7	-179.2	-179.7	-94.9	0	0	0	112.2	T493 M497 L532 I533 S538 F539 K540 D568 R571	T493-Y536 HydrophobicContact CG2-CD1 3.34Å; T493-Y536 HydrophobicContact CG2-CD2 4.27Å; T493-Y536 HydrophobicContact CG2-CE1 4.09Å; T493-Y536 HydrophobicContact CG2-CG 3.45Å; T493-Y536 VanDerWaalsContact CG2-CG 3.45Å; M497-Y536 HydrophobicContact SD-CD2 4.02Å; M497-Y536 HydrophobicContact SD-CG 4.5Å; L532-Y536 WeakPolarHBondContact O-CB 3.48Å; L532-Y536 PolarHBondContact O-N 2.94Å; I533-Y536 PolarHBondContact O-N 3.24Å; Y536-S538 VanDerWaalsContact C-N 3.29Å; Y536-S538 PolarHBondContact O-N 3.29Å; Y536-F539 WeakPolarHBondContact O-CB 3.34Å; Y536-F539 PolarHBondContact O-N 2.72Å; Y536-F539 VanDerWaalsContact O-N 3.16Å; Y536-K540 HydrophobicContact CD1-CG 4.05Å; Y536-K540 HydrophobicContact CE1-CD 4.26Å; Y536-K540 HydrophobicContact CE1-CG 3.56Å; Y536-K540 HydrophobicContact CE2-CD 4.15Å; Y536-K540 HydrophobicContact CE2-CG 4.15Å; Y536-K540 WeakPolarHBondContact O-CG 3.3Å; Y536-K540 PolarHBondContact O-N 3.03Å; Y536-D568 HydrophobicContact CE2-CB 4.3Å; Y536-D568 PolarHBondContact OH-OD1 3.05Å; Y536-R571 VanDerWaalsContact OH-CD 3.28Å; Y536-R571 WeakPolarHBondContact OH-CD 3.43Å
537	N	96.8	Very high	93.9	Very high	70 Å²	70	52.5 Å²	52.5	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-61	-40.1	178	-74.6	-16.9	0	0	0	111.8	I533 I535 K540 Q541	I533-N537 WeakPolarHBondContact CG2-ND2 3.3Å; I533-N537 WeakPolarHBondContact O-CB 3.43Å; I533-N537 VanDerWaalsContact O-CG 3.3Å; I533-N537 PolarHBondContact O-N 2.83Å; I533-N537 PolarHBondContact O-ND2 2.71Å; I535-N537 PolarHBondContact O-N 2.84Å; N537-K540 PolarHBondContact O-N 3.34Å; N537-Q541 WeakPolarHBondContact O-CB 3.4Å; N537-Q541 PolarHBondContact O-N 3.44Å
538	S	96.3	Very high	93.5	Very high	30 Å²	30	55.6 Å²	55.6	21%	0.21	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-45.2	174.8	-59.7	0	0	0	0	111.3	N534 I535 Y536 Q541 K542	N534-S538 VanDerWaalsContact O-CB 3.3Å; N534-S538 WeakPolarHBondContact O-CB 3.27Å; N534-S538 PolarHBondContact O-N 2.94Å; N534-S538 PolarHBondContact O-OG 3.13Å; I535-S538 WeakPolarHBondContact O-CB 3.36Å; I535-S538 PolarHBondContact O-N 2.95Å; Y536-S538 VanDerWaalsContact C-N 3.29Å; Y536-S538 PolarHBondContact O-N 3.29Å; S538-Q541 PolarHBondContact O-N 3.42Å; S538-K542 WeakPolarHBondContact O-CG 3.44Å; S538-K542 PolarHBondContact O-N 3.4Å
539	F	96.4	Very high	93.3	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.3	-50.3	175.9	172.5	-107.4	0	0	0	111.6	I535 Y536 Q541 K542 Q543 V550 W553 L564	I535-F539 WeakPolarHBondContact O-CB 3.41Å; I535-F539 PolarHBondContact O-N 2.87Å; Y536-F539 WeakPolarHBondContact O-CB 3.34Å; Y536-F539 PolarHBondContact O-N 2.72Å; Y536-F539 VanDerWaalsContact O-N 3.16Å; F539-Q541 VanDerWaalsContact C-N 3.31Å; F539-Q541 PolarHBondContact O-N 2.85Å; F539-K542 PolarHBondContact O-N 2.99Å; F539-K542 VanDerWaalsContact O-N 3.15Å; F539-Q543 WeakPolarHBondContact O-CB 3.5Å; F539-Q543 PolarHBondContact O-N 3.08Å; F539-V550 HydrophobicContact CD2-CG1 3.7Å; F539-V550 HydrophobicContact CE2-CG1 3.45Å; F539-V550 VanDerWaalsContact CE2-CG1 3.45Å; F539-V550 HydrophobicContact CZ-CG1 4.49Å; F539-W553 HydrophobicContact CB-CH2 4.35Å; F539-W553 HydrophobicContact CB-CZ3 4.07Å; F539-W553 HydrophobicContact CD2-CZ3 4.19Å; F539-L564 HydrophobicContact CB-CD1 4.29Å; F539-L564 HydrophobicContact CD1-CB 4.16Å; F539-L564 HydrophobicContact CD2-CB 4.09Å; F539-L564 HydrophobicContact CD2-CD1 3.79Å; F539-L564 HydrophobicContact CE1-CB 4.06Å; F539-L564 HydrophobicContact CE2-CB 3.97Å; F539-L564 HydrophobicContact CE2-CD1 4.31Å; F539-L564 HydrophobicContact CG-CB 4.18Å; F539-L564 HydrophobicContact CG-CD1 4.08Å; F539-L564 HydrophobicContact CZ-CB 3.96Å
540	K	95.6	Very high	93.1	Very high	48 Å²	48	59.9 Å²	59.9	21%	0.209	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-34.6	177	-64.5	-56.1	-65.5	-176.4	0	112.9	Y536 N537 K544 D568	Y536-K540 HydrophobicContact CD1-CG 4.05Å; Y536-K540 HydrophobicContact CE1-CD 4.26Å; Y536-K540 HydrophobicContact CE1-CG 3.56Å; Y536-K540 HydrophobicContact CE2-CD 4.15Å; Y536-K540 HydrophobicContact CE2-CG 4.15Å; Y536-K540 WeakPolarHBondContact O-CG 3.3Å; Y536-K540 PolarHBondContact O-N 3.03Å; N537-K540 PolarHBondContact O-N 3.34Å; K540-K544 WeakPolarHBondContact O-CG 3.33Å; K540-K544 PolarHBondContact O-N 3.11Å; K540-D568 WeakPolarHBondContact CD-OD1 3.14Å; K540-D568 WeakPolarHBondContact CE-OD1 3.3Å; K540-D568 IonicContact NZ-OD1 3.59Å; K540-D568 PolarHBondContact NZ-OD1 3.27Å; K540-D568 IonicContact NZ-OD2 2.71Å; K540-D568 PolarHBondContact NZ-OD2 3.13Å
541	Q	94.2	Very high	92.8	Very high	134 Å²	134	65.3 Å²	65.3	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-65.4	-43.4	174.5	-172.3	-177.1	18.4	0	0	111.1	N537 S538 F539 K544	N537-Q541 WeakPolarHBondContact O-CB 3.4Å; N537-Q541 PolarHBondContact O-N 3.44Å; S538-Q541 PolarHBondContact O-N 3.42Å; F539-Q541 VanDerWaalsContact C-N 3.31Å; F539-Q541 PolarHBondContact O-N 2.85Å; Q541-K544 PolarHBondContact O-N 2.88Å
542	K	93.6	Very high	92.6	Very high	58 Å²	58	67.8 Å²	67.8	25%	0.252	33%	0.334	S	S	.	.	H	α-helix	trans	-69.3	-34.9	177.8	-66	-47.7	-174.4	178.3	0	112.9	S538 F539 K544 D545 L548 W553	S538-K542 WeakPolarHBondContact O-CG 3.44Å; S538-K542 PolarHBondContact O-N 3.4Å; F539-K542 PolarHBondContact O-N 2.99Å; F539-K542 VanDerWaalsContact O-N 3.15Å; K542-K544 PolarHBondContact O-N 3.48Å; K542-D545 WeakPolarHBondContact O-CB 3.38Å; K542-D545 PolarHBondContact O-N 3.28Å; K542-L548 HydrophobicContact CB-CD2 4.35Å; K542-L548 HydrophobicContact CD-CD2 4.18Å; K542-L548 HydrophobicContact CG-CD2 4.41Å; K542-W553 HydrophobicContact CB-CD2 4.49Å; K542-W553 HydrophobicContact CG-CD2 3.98Å; K542-W553 HydrophobicContact CG-CG 4.16Å; K542-W553 HydrophobicContact CG-CZ2 4.37Å
543	Q	90.9	Very high	92.5	Very high	91 Å²	91	68.1 Å²	68.1	43%	0.425	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-26.2	174.7	-160.2	-178.6	19.1	0	0	113.2	F539 V550	F539-Q543 WeakPolarHBondContact O-CB 3.5Å; F539-Q543 PolarHBondContact O-N 3.08Å; Q543-V550 HydrophobicContact CB-CG2 4.39Å
544	K	90.7	Very high	92.3	Very high	169 Å²	169	68.1 Å²	68.1	74%	0.735	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-16	174.7	-68.7	174.8	-177.6	-179.7	0	113.3	K540 Q541 K542 Q546	K540-K544 WeakPolarHBondContact O-CG 3.33Å; K540-K544 PolarHBondContact O-N 3.11Å; Q541-K544 PolarHBondContact O-N 2.88Å; K542-K544 PolarHBondContact O-N 3.48Å; K544-Q546 PolarHBondContact O-N 3.22Å
545	D	89.8	Confident	92	Very high	64 Å²	64	72.5 Å²	72.5	34%	0.342	35%	0.354	S	S	.	.			trans	-84.2	103.7	-179.6	-169.6	-10.4	0	0	0	110	K542 N547 L548	K542-D545 WeakPolarHBondContact O-CB 3.38Å; K542-D545 PolarHBondContact O-N 3.28Å; D545-N547 PolarHBondContact O-N 2.8Å; D545-N547 VanDerWaalsContact O-N 3.11Å; D545-N547 PolarHBondContact OD1-N 2.91Å; D545-L548 HydrophobicContact CB-CB 4.37Å; D545-L548 PolarHBondContact O-N 3.45Å
546	Q	80.4	Confident	91.7	Very high	190 Å²	190	77.3 Å²	77.3	89%	0.888	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.9	-176.1	-65	-179.8	1	0	0	113.9	K544	K544-Q546 PolarHBondContact O-N 3.22Å
547	N	83.7	Confident	91.3	Very high	157 Å²	157	79.2 Å²	79.2	84%	0.84	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	0.4	-176	-63.8	-47.7	0	0	0	113.6	D545	D545-N547 PolarHBondContact O-N 2.8Å; D545-N547 VanDerWaalsContact O-N 3.11Å; D545-N547 PolarHBondContact OD1-N 2.91Å
548	L	85.4	Confident	91.1	Very high	65 Å²	65	77.5 Å²	77.5	34%	0.34	38%	0.377	S	S	.	.	S	Bend	trans	-124.4	131.3	-170.4	-157.2	123.8	0	0	0	111.2	K542 D545 V550 W553	K542-L548 HydrophobicContact CB-CD2 4.35Å; K542-L548 HydrophobicContact CD-CD2 4.18Å; K542-L548 HydrophobicContact CG-CD2 4.41Å; D545-L548 HydrophobicContact CB-CB 4.37Å; D545-L548 PolarHBondContact O-N 3.45Å; L548-V550 PolarHBondContact O-N 2.87Å; L548-W553 HydrophobicContact CD2-CB 3.72Å; L548-W553 HydrophobicContact CD2-CG 4.21Å
549	D	89.9	Confident	90.9	Very high	88 Å²	88	76.2 Å²	76.2	47%	0.471	37%	0.367	S	S	.	.			trans	-77.7	109.5	169.8	179.3	17.4	0	0	0	109.9	K551 T552 W553	D549-K551 PolarHBondContact O-N 3.38Å; D549-K551 WeakPolarHBondContact OD1-CB 3.07Å; D549-K551 PolarHBondContact OD1-N 3.48Å; D549-T552 PolarHBondContact O-N 3.32Å; D549-T552 PolarHBondContact OD2-N 3.16Å; D549-T552 PolarHBondContact OD2-OG1 3.04Å; D549-W553 PolarHBondContact O-N 3.5Å
550	V	91.9	Very high	90.7	Very high	19 Å²	19	78.7 Å²	78.7	12%	0.115	38%	0.381	C	S	.	.	H	α-helix	trans	-61.5	-31.9	179.4	-171.9	0	0	0	0	111.3	F539 Q543 L548 W553 C554	F539-V550 HydrophobicContact CD2-CG1 3.7Å; F539-V550 HydrophobicContact CE2-CG1 3.45Å; F539-V550 VanDerWaalsContact CE2-CG1 3.45Å; F539-V550 HydrophobicContact CZ-CG1 4.49Å; Q543-V550 HydrophobicContact CB-CG2 4.39Å; L548-V550 PolarHBondContact O-N 2.87Å; V550-W553 PolarHBondContact O-N 3.34Å; V550-C554 PolarHBondContact O-N 3.31Å; V550-C554 PolarHBondContact O-SG 3.35Å
551	K	91.8	Very high	90.6	Very high	114 Å²	114	78.9 Å²	78.9	50%	0.496	38%	0.382	S	S	.	.	H	α-helix	trans	-66.4	-44.8	178	-69.5	-174.3	176.9	-172.1	0	111.1	D549 W553 C554 Q555	D549-K551 PolarHBondContact O-N 3.38Å; D549-K551 WeakPolarHBondContact OD1-CB 3.07Å; D549-K551 PolarHBondContact OD1-N 3.48Å; K551-W553 VanDerWaalsContact C-N 3.33Å; K551-W553 PolarHBondContact O-N 2.69Å; K551-C554 PolarHBondContact O-N 3.2Å; K551-Q555 WeakPolarHBondContact O-CG 3.42Å; K551-Q555 PolarHBondContact O-N 2.85Å; K551-Q555 VanDerWaalsContact O-N 3.08Å
552	T	91.5	Very high	90.5	Very high	59 Å²	59	73.9 Å²	73.9	36%	0.362	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-41.3	175.2	-57.2	0	0	0	0	110.7	D549 C554 Q555 D556	D549-T552 PolarHBondContact O-N 3.32Å; D549-T552 PolarHBondContact OD2-N 3.16Å; D549-T552 PolarHBondContact OD2-OG1 3.04Å; T552-C554 PolarHBondContact O-N 3.36Å; T552-Q555 WeakPolarHBondContact O-CB 3.38Å; T552-Q555 PolarHBondContact O-N 2.74Å; T552-D556 PolarHBondContact O-N 3.35Å
553	W	93.7	Very high	90.5	Very high	17 Å²	17	71.2 Å²	71.2	6%	0.064	35%	0.351	C	S	.	.	H	α-helix	trans	-60.1	-43	174.7	177.3	80.6	0	0	0	113	F522 F539 K542 L548 D549 V550 K551 Q555 D556 Y557 L559	F522-W553 HydrophobicContact CE1-CH2 4.36Å; F522-W553 AromaticContact CE1-CZ2 3.88Å; F522-W553 HydrophobicContact CE1-CZ2 3.88Å; F522-W553 HydrophobicContact CZ-CH2 4.08Å; F522-W553 AromaticContact CZ-CZ2 3.59Å; F522-W553 HydrophobicContact CZ-CZ2 3.59Å; F539-W553 HydrophobicContact CB-CH2 4.35Å; F539-W553 HydrophobicContact CB-CZ3 4.07Å; F539-W553 HydrophobicContact CD2-CZ3 4.19Å; K542-W553 HydrophobicContact CB-CD2 4.49Å; K542-W553 HydrophobicContact CG-CD2 3.98Å; K542-W553 HydrophobicContact CG-CG 4.16Å; K542-W553 HydrophobicContact CG-CZ2 4.37Å; L548-W553 HydrophobicContact CD2-CB 3.72Å; L548-W553 HydrophobicContact CD2-CG 4.21Å; D549-W553 PolarHBondContact O-N 3.5Å; V550-W553 PolarHBondContact O-N 3.34Å; K551-W553 VanDerWaalsContact C-N 3.33Å; K551-W553 PolarHBondContact O-N 2.69Å; W553-Q555 VanDerWaalsContact C-N 3.31Å; W553-Q555 PolarHBondContact O-N 3.1Å; W553-D556 PolarHBondContact O-N 3.24Å; W553-Y557 AromaticContact CD1-CD2 3.81Å; W553-Y557 AromaticContact CD1-CE2 3.63Å; W553-Y557 HydrophobicContact CG-CD2 4.37Å; W553-Y557 AromaticContact NE1-CD2 3.63Å; W553-Y557 AromaticContact NE1-CE2 3.44Å; W553-Y557 VanDerWaalsContact O-CD2 3.27Å; W553-Y557 WeakPolarHBondContact O-CD2 3.07Å; W553-Y557 PolarHBondContact O-N 3.42Å; W553-L559 HydrophobicContact CH2-CD1 3.83Å; W553-L559 HydrophobicContact CZ3-CD1 3.96Å
554	C	93.4	Very high	90.8	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.007	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-44.6	176	-66.5	0	0	0	0	110.7	V550 K551 T552 Y557 F558 L559 H561	V550-C554 PolarHBondContact O-N 3.31Å; V550-C554 PolarHBondContact O-SG 3.35Å; K551-C554 PolarHBondContact O-N 3.2Å; T552-C554 PolarHBondContact O-N 3.36Å; C554-Y557 CarbonylContact O-C 3.38Å; C554-Y557 PolarHBondContact O-N 2.63Å; C554-F558 PolarHBondContact O-N 3.01Å; C554-F558 VanDerWaalsContact O-N 3.08Å; C554-L559 CarbonylContact C-O 3.57Å; C554-L559 HydrophobicContact CB-CB 4.25Å; C554-L559 WeakPolarHBondContact CB-O 3.4Å; C554-L559 PolarHBondContact O-N 3.33Å; C554-H561 HydrophobicContact CB-CB 4.05Å
555	Q	90.4	Very high	91	Very high	132 Å²	132	60.8 Å²	60.8	62%	0.617	31%	0.309	S	S	*	.	H	α-helix	trans	-60.9	-47.2	177.6	-69.7	173.6	-4.6	0	0	112.7	K551 T552 W553 Y557 F558	K551-Q555 WeakPolarHBondContact O-CG 3.42Å; K551-Q555 PolarHBondContact O-N 2.85Å; K551-Q555 VanDerWaalsContact O-N 3.08Å; T552-Q555 WeakPolarHBondContact O-CB 3.38Å; T552-Q555 PolarHBondContact O-N 2.74Å; W553-Q555 VanDerWaalsContact C-N 3.31Å; W553-Q555 PolarHBondContact O-N 3.1Å; Q555-Y557 PolarHBondContact O-N 3.43Å; Q555-Y557 VanDerWaalsContact O-N 3.12Å; Q555-F558 PolarHBondContact O-N 3.4Å
556	D	90.6	Very high	91.2	Very high	101 Å²	101	60.2 Å²	60.2	54%	0.54	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-27.1	179.1	-73.6	-16.4	0	0	0	113	C518 T552 W553	C518-D556 PolarHBondContact SG-O 3.36Å; T552-D556 PolarHBondContact O-N 3.35Å; W553-D556 PolarHBondContact O-N 3.24Å
557	Y	90.9	Very high	92	Very high	57 Å²	57	51.2 Å²	51.2	22%	0.224	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	6.9	-178.8	-73.7	-98.9	0	0	0	113.9	C518 K521 F522 W553 C554 Q555 L559	C518-Y557 HydrophobicContact CB-CD1 4.3Å; K521-Y557 HydrophobicContact CD-CD1 4.31Å; K521-Y557 HydrophobicContact CD-CE1 3.54Å; F522-Y557 AromaticContact CE2-CD1 3.4Å; F522-Y557 HydrophobicContact CE2-CD1 3.4Å; F522-Y557 VanDerWaalsContact CE2-CD1 3.4Å; F522-Y557 HydrophobicContact CE2-CE1 4.19Å; F522-Y557 HydrophobicContact CE2-CG 4.01Å; F522-Y557 AromaticContact CZ-CD1 3.41Å; F522-Y557 HydrophobicContact CZ-CD1 3.41Å; F522-Y557 VanDerWaalsContact CZ-CD1 3.41Å; F522-Y557 AromaticContact CZ-CE1 3.86Å; F522-Y557 HydrophobicContact CZ-CE1 3.86Å; F522-Y557 AromaticContact CZ-CG 3.95Å; F522-Y557 HydrophobicContact CZ-CG 3.95Å; W553-Y557 AromaticContact CD1-CD2 3.81Å; W553-Y557 AromaticContact CD1-CE2 3.63Å; W553-Y557 HydrophobicContact CG-CD2 4.37Å; W553-Y557 AromaticContact NE1-CD2 3.63Å; W553-Y557 AromaticContact NE1-CE2 3.44Å; W553-Y557 VanDerWaalsContact O-CD2 3.27Å; W553-Y557 WeakPolarHBondContact O-CD2 3.07Å; W553-Y557 PolarHBondContact O-N 3.42Å; C554-Y557 CarbonylContact O-C 3.38Å; C554-Y557 PolarHBondContact O-N 2.63Å; Q555-Y557 PolarHBondContact O-N 3.43Å; Q555-Y557 VanDerWaalsContact O-N 3.12Å; Y557-L559 VanDerWaalsContact C-N 3.28Å; Y557-L559 PolarHBondContact O-N 3.31Å
558	F	91.3	Very high	92.7	Very high	34 Å²	34	45.1 Å²	45.1	15%	0.149	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	44	-177.6	-60.5	-99.3	0	0	0	112.4	L505 P507 E514 A515 C518 Q519 C554 Q555	L505-F558 HydrophobicContact CB-CB 4.45Å; L505-F558 PolarHBondContact N-O 3.05Å; P507-F558 HydrophobicContact CB-CD1 4.21Å; P507-F558 HydrophobicContact CB-CE1 4.11Å; P507-F558 HydrophobicContact CG-CD1 4.01Å; P507-F558 HydrophobicContact CG-CE1 4.15Å; E514-F558 HydrophobicContact CB-CE2 4.4Å; E514-F558 HydrophobicContact CB-CZ 4.33Å; E514-F558 HydrophobicContact CG-CE2 3.99Å; E514-F558 HydrophobicContact CG-CZ 4.2Å; A515-F558 VanDerWaalsContact CA-CD2 3.49Å; A515-F558 HydrophobicContact CB-CB 3.86Å; A515-F558 HydrophobicContact CB-CD1 3.7Å; A515-F558 HydrophobicContact CB-CD2 3.82Å; A515-F558 HydrophobicContact CB-CE1 4.14Å; A515-F558 HydrophobicContact CB-CE2 4.25Å; A515-F558 HydrophobicContact CB-CG 3.51Å; A515-F558 HydrophobicContact CB-CZ 4.38Å; C518-F558 HydrophobicContact CB-CD2 4.21Å; Q519-F558 PolarHBondContact NE2-O 3.28Å; C554-F558 PolarHBondContact O-N 3.01Å; C554-F558 VanDerWaalsContact O-N 3.08Å; Q555-F558 PolarHBondContact O-N 3.4Å
559	L	93	Very high	93.2	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-111.5	147.3	174.4	-62.1	174.2	0	0	0	110.6	C503 F504 L505 F522 I535 W553 C554 Y557 L564	C503-L559 CarbonylContact O-C 3.38Å; C503-L559 WeakPolarHBondContact O-CA 3.39Å; F504-L559 HydrophobicContact CD1-CD2 4.17Å; F504-L559 HydrophobicContact CE1-CD2 4.44Å; L505-L559 WeakPolarHBondContact CD1-O 3.37Å; F522-L559 HydrophobicContact CE2-CD1 4.03Å; F522-L559 HydrophobicContact CZ-CD1 4.32Å; I535-L559 HydrophobicContact CD1-CD2 4.39Å; I535-L559 HydrophobicContact CG2-CD1 3.93Å; I535-L559 HydrophobicContact CG2-CD2 4.23Å; W553-L559 HydrophobicContact CH2-CD1 3.83Å; W553-L559 HydrophobicContact CZ3-CD1 3.96Å; C554-L559 CarbonylContact C-O 3.57Å; C554-L559 HydrophobicContact CB-CB 4.25Å; C554-L559 WeakPolarHBondContact CB-O 3.4Å; C554-L559 PolarHBondContact O-N 3.33Å; Y557-L559 VanDerWaalsContact C-N 3.28Å; Y557-L559 PolarHBondContact O-N 3.31Å; L559-L564 HydrophobicContact CB-CD1 4.16Å; L559-L564 HydrophobicContact CD1-CD1 4.39Å
560	D	91.8	Very high	93.6	Very high	53 Å²	53	40.7 Å²	40.7	28%	0.283	21%	0.213	S	C	.	.			trans	-89.6	113.9	176.2	-170.5	-31.5	0	0	0	110.1	C503 L505 S562 A563 L564	C503-D560 PolarHBondContact O-N 3.19Å; L505-D560 HydrophobicContact CD2-CB 3.78Å; L505-D560 HydrophobicContact CG-CB 4.22Å; D560-S562 VanDerWaalsContact C-N 3.35Å; D560-S562 WeakPolarHBondContact OD1-CA 3.42Å; D560-S562 WeakPolarHBondContact OD1-CB 3.41Å; D560-S562 PolarHBondContact OD1-N 2.69Å; D560-A563 HydrophobicContact CB-CB 3.81Å; D560-A563 PolarHBondContact OD1-N 2.85Å; D560-L564 WeakPolarHBondContact O-CG 3.4Å; D560-L564 PolarHBondContact O-N 2.83Å; D560-L564 VanDerWaalsContact O-N 3.12Å
561	H	93.9	Very high	93.9	Very high	52 Å²	52	41.3 Å²	41.3	24%	0.241	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-38	178.3	175.6	-80.7	0	0	0	112.6	C554 S565	C554-H561 HydrophobicContact CB-CB 4.05Å; H561-S565 PolarHBondContact CE1-OG 3.11Å; H561-S565 VanDerWaalsContact CE1-OG 3.29Å; H561-S565 WeakPolarHBondContact O-CB 3.41Å; H561-S565 PolarHBondContact O-N 2.9Å; H561-S565 PolarHBondContact O-OG 3.26Å
562	S	91.6	Very high	94.1	Very high	28 Å²	28	39.2 Å²	39.2	20%	0.196	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-48.8	179.8	179.8	0	0	0	0	109.8	E307 D560 L564 S565 I566	E307-S562 WeakPolarHBondContact OE1-CB 3.18Å; E307-S562 PolarHBondContact OE1-OG 3.49Å; D560-S562 VanDerWaalsContact C-N 3.35Å; D560-S562 WeakPolarHBondContact OD1-CA 3.42Å; D560-S562 WeakPolarHBondContact OD1-CB 3.41Å; D560-S562 PolarHBondContact OD1-N 2.69Å; S562-L564 VanDerWaalsContact C-N 3.33Å; S562-L564 PolarHBondContact O-N 3.48Å; S562-S565 WeakPolarHBondContact O-CB 3.3Å; S562-S565 PolarHBondContact O-N 2.86Å; S562-S565 VanDerWaalsContact O-N 3.08Å; S562-I566 WeakPolarHBondContact O-CG1 3.38Å; S562-I566 PolarHBondContact O-N 3.19Å
563	A	93.6	Very high	94.3	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-57.2	-43	176.4	0	0	0	0	0	112.9	P501 C503 D560 I566 A567	P501-A563 HydrophobicContact CB-CB 4.34Å; P501-A563 WeakPolarHBondContact O-CB 3.43Å; C503-A563 HydrophobicContact CB-CB 4.39Å; D560-A563 HydrophobicContact CB-CB 3.81Å; D560-A563 PolarHBondContact OD1-N 2.85Å; A563-I566 PolarHBondContact O-N 2.67Å; A563-A567 PolarHBondContact O-N 3.39Å
564	L	96.6	Very high	94.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-35.4	176.5	-71.6	170.8	0	0	0	112.9	M497 C503 I535 F539 L559 D560 S562 A567 D568	M497-L564 HydrophobicContact CE-CD2 3.71Å; M497-L564 HydrophobicContact SD-CD2 3.89Å; C503-L564 HydrophobicContact CB-CD2 3.82Å; C503-L564 HydrophobicContact CB-CG 4.02Å; I535-L564 HydrophobicContact CG2-CD2 3.87Å; F539-L564 HydrophobicContact CB-CD1 4.29Å; F539-L564 HydrophobicContact CD1-CB 4.16Å; F539-L564 HydrophobicContact CD2-CB 4.09Å; F539-L564 HydrophobicContact CD2-CD1 3.79Å; F539-L564 HydrophobicContact CE1-CB 4.06Å; F539-L564 HydrophobicContact CE2-CB 3.97Å; F539-L564 HydrophobicContact CE2-CD1 4.31Å; F539-L564 HydrophobicContact CG-CB 4.18Å; F539-L564 HydrophobicContact CG-CD1 4.08Å; F539-L564 HydrophobicContact CZ-CB 3.96Å; L559-L564 HydrophobicContact CB-CD1 4.16Å; L559-L564 HydrophobicContact CD1-CD1 4.39Å; D560-L564 WeakPolarHBondContact O-CG 3.4Å; D560-L564 PolarHBondContact O-N 2.83Å; D560-L564 VanDerWaalsContact O-N 3.12Å; S562-L564 VanDerWaalsContact C-N 3.33Å; S562-L564 PolarHBondContact O-N 3.48Å; L564-A567 PolarHBondContact O-N 3.11Å; L564-D568 PolarHBondContact O-N 3.42Å
565	S	95.3	Very high	94.6	Very high	41 Å²	41	40 Å²	40	29%	0.287	22%	0.216	S	C	.	.	H	α-helix	trans	-68.6	-40	175.7	-57.3	0	0	0	0	111.3	H561 S562 D568 A569	H561-S565 PolarHBondContact CE1-OG 3.11Å; H561-S565 VanDerWaalsContact CE1-OG 3.29Å; H561-S565 WeakPolarHBondContact O-CB 3.41Å; H561-S565 PolarHBondContact O-N 2.9Å; H561-S565 PolarHBondContact O-OG 3.26Å; S562-S565 WeakPolarHBondContact O-CB 3.3Å; S562-S565 PolarHBondContact O-N 2.86Å; S562-S565 VanDerWaalsContact O-N 3.08Å; S565-D568 PolarHBondContact O-N 2.8Å; S565-A569 PolarHBondContact O-N 2.92Å
566	I	95.1	Very high	94.9	Very high	53 Å²	53	37.4 Å²	37.4	27%	0.272	21%	0.212	S	C	.	.	H	α-helix	trans	-61.8	-44.2	172.5	-69.4	168.2	0	0	0	110.3	L139 A500 P501 S562 A563 D568 A569 I570	L139-I566 HydrophobicContact CD1-CG2 3.79Å; A500-I566 HydrophobicContact CB-CB 4.47Å; A500-I566 HydrophobicContact CB-CG2 3.98Å; P501-I566 HydrophobicContact CG-CD1 4.44Å; S562-I566 WeakPolarHBondContact O-CG1 3.38Å; S562-I566 PolarHBondContact O-N 3.19Å; A563-I566 PolarHBondContact O-N 2.67Å; I566-D568 VanDerWaalsContact C-N 3.33Å; I566-D568 PolarHBondContact O-N 3.43Å; I566-A569 WeakPolarHBondContact O-CB 3.13Å; I566-A569 PolarHBondContact O-N 3.34Å; I566-I570 HydrophobicContact CG2-CD1 3.8Å; I566-I570 HydrophobicContact CG2-CG1 4.33Å; I566-I570 WeakPolarHBondContact O-CG1 3.35Å; I566-I570 PolarHBondContact O-N 2.94Å
567	A	97.6	Very high	95.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-40.6	175.6	0	0	0	0	0	112.3	A496 M497 A500 A563 L564 A569 I570 R571	A496-A567 WeakPolarHBondContact CB-O 3.38Å; M497-A567 HydrophobicContact CG-CB 4.48Å; M497-A567 HydrophobicContact SD-CB 3.71Å; A500-A567 HydrophobicContact CB-CB 3.79Å; A563-A567 PolarHBondContact O-N 3.39Å; L564-A567 PolarHBondContact O-N 3.11Å; A567-A569 VanDerWaalsContact C-N 3.34Å; A567-A569 PolarHBondContact O-N 3.03Å; A567-I570 PolarHBondContact O-N 3.29Å; A567-R571 VanDerWaalsContact O-CB 3.29Å; A567-R571 WeakPolarHBondContact O-CB 3.43Å; A567-R571 PolarHBondContact O-N 3.17Å
568	D	97.5	Very high	95.4	Very high	29 Å²	29	30.6 Å²	30.6	16%	0.155	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-39.4	175.1	-168.6	46.7	0	0	0	112.3	Y536 K540 L564 S565 I566 S572	Y536-D568 HydrophobicContact CE2-CB 4.3Å; Y536-D568 PolarHBondContact OH-OD1 3.05Å; K540-D568 WeakPolarHBondContact CD-OD1 3.14Å; K540-D568 WeakPolarHBondContact CE-OD1 3.3Å; K540-D568 IonicContact NZ-OD1 3.59Å; K540-D568 PolarHBondContact NZ-OD1 3.27Å; K540-D568 IonicContact NZ-OD2 2.71Å; K540-D568 PolarHBondContact NZ-OD2 3.13Å; L564-D568 PolarHBondContact O-N 3.42Å; S565-D568 PolarHBondContact O-N 2.8Å; I566-D568 VanDerWaalsContact C-N 3.33Å; I566-D568 PolarHBondContact O-N 3.43Å; D568-S572 PolarHBondContact O-N 3.39Å; D568-S572 PolarHBondContact O-OG 3.23Å
569	A	96.3	Very high	95.6	Very high	39 Å²	39	32.2 Å²	32.2	32%	0.322	20%	0.196	S	C	.	.	H	α-helix	trans	-66.2	-48.3	175.1	0	0	0	0	0	112	L139 S565 I566 A567 R571 S572 E573	L139-A569 HydrophobicContact CD1-CB 4.47Å; L139-A569 HydrophobicContact CD2-CB 4.06Å; S565-A569 PolarHBondContact O-N 2.92Å; I566-A569 WeakPolarHBondContact O-CB 3.13Å; I566-A569 PolarHBondContact O-N 3.34Å; A567-A569 VanDerWaalsContact C-N 3.34Å; A567-A569 PolarHBondContact O-N 3.03Å; A569-R571 VanDerWaalsContact C-N 3.31Å; A569-R571 PolarHBondContact O-N 2.87Å; A569-S572 WeakPolarHBondContact O-CB 3.35Å; A569-S572 PolarHBondContact O-N 2.74Å; A569-S572 VanDerWaalsContact O-N 3.1Å; A569-E573 PolarHBondContact O-N 2.83Å
570	I	97.3	Very high	95.7	Very high	21 Å²	21	38.8 Å²	38.8	11%	0.108	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-45.8	175.8	-67.3	168.9	0	0	0	110	L139 A496 A500 I566 A567 S572 E573 L574	L139-I570 HydrophobicContact CD1-CD1 4.36Å; L139-I570 HydrophobicContact CD1-CG1 3.77Å; L139-I570 HydrophobicContact CD2-CB 4.41Å; L139-I570 HydrophobicContact CD2-CG1 3.69Å; L139-I570 HydrophobicContact CG-CG1 4.3Å; A496-I570 HydrophobicContact CB-CB 4.19Å; A496-I570 HydrophobicContact CB-CG2 3.96Å; A500-I570 HydrophobicContact CB-CD1 4.11Å; I566-I570 HydrophobicContact CG2-CD1 3.8Å; I566-I570 HydrophobicContact CG2-CG1 4.33Å; I566-I570 WeakPolarHBondContact O-CG1 3.35Å; I566-I570 PolarHBondContact O-N 2.94Å; A567-I570 PolarHBondContact O-N 3.29Å; I570-S572 PolarHBondContact O-N 3.14Å; I570-E573 PolarHBondContact O-N 2.86Å; I570-L574 HydrophobicContact CG2-CD1 3.87Å; I570-L574 HydrophobicContact CG2-CG 4.13Å; I570-L574 WeakPolarHBondContact O-CG 3.47Å; I570-L574 PolarHBondContact O-N 3.2Å
571	R	98	Very high	95.8	Very high	32 Å²	32	38.3 Å²	38.3	12%	0.121	22%	0.217	C	C	.	.	H	α-helix	trans	-58.4	-39.7	178.4	-173.2	177.4	-172.8	-31	9	111.4	S489 L492 T493 A496 Y536 A567 A569 T575	S489-R571 PolarHBondContact O-NH2 2.82Å; S489-R571 PolarHBondContact OG-NH2 2.97Å; S489-R571 VanDerWaalsContact OG-NH2 3.15Å; L492-R571 HydrophobicContact CB-CG 4.44Å; T493-R571 PolarHBondContact OG1-NE 2.91Å; A496-R571 HydrophobicContact CB-CB 3.57Å; A496-R571 HydrophobicContact CB-CG 4.35Å; Y536-R571 VanDerWaalsContact OH-CD 3.28Å; Y536-R571 WeakPolarHBondContact OH-CD 3.43Å; A567-R571 VanDerWaalsContact O-CB 3.29Å; A567-R571 WeakPolarHBondContact O-CB 3.43Å; A567-R571 PolarHBondContact O-N 3.17Å; A569-R571 VanDerWaalsContact C-N 3.31Å; A569-R571 PolarHBondContact O-N 2.87Å; R571-T575 PolarHBondContact NH1-OG1 2.62Å; R571-T575 VanDerWaalsContact NH1-OG1 3.12Å; R571-T575 WeakPolarHBondContact O-CB 3.37Å; R571-T575 PolarHBondContact O-N 3.14Å; R571-T575 PolarHBondContact O-OG1 2.68Å
572	S	96.8	Very high	95.9	Very high	69 Å²	69	44.2 Å²	44.2	48%	0.483	25%	0.245	S	C	.	.	H	α-helix	trans	-67.5	-42.7	177.5	-59	0	0	0	0	111.9	D568 A569 I570 T575 S576	D568-S572 PolarHBondContact O-N 3.39Å; D568-S572 PolarHBondContact O-OG 3.23Å; A569-S572 WeakPolarHBondContact O-CB 3.35Å; A569-S572 PolarHBondContact O-N 2.74Å; A569-S572 VanDerWaalsContact O-N 3.1Å; I570-S572 PolarHBondContact O-N 3.14Å; S572-T575 PolarHBondContact O-N 3.19Å; S572-S576 WeakPolarHBondContact O-CB 3.42Å; S572-S576 PolarHBondContact O-N 3.14Å
573	E	95.6	Very high	96.1	Very high	52 Å²	52	44.4 Å²	44.4	24%	0.243	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-45.1	175	-173.2	-177.8	159.5	0	0	111.9	L139 R159 A569 I570 T575 S576 T577	L139-E573 WeakPolarHBondContact CD2-OE2 3.29Å; R159-E573 IonicContact CZ-OE1 3.41Å; R159-E573 IonicContact NH1-OE1 3.21Å; R159-E573 PolarHBondContact NH1-OE1 3.48Å; A569-E573 PolarHBondContact O-N 2.83Å; I570-E573 PolarHBondContact O-N 2.86Å; E573-T575 PolarHBondContact O-N 3.28Å; E573-S576 WeakPolarHBondContact O-CB 3.4Å; E573-S576 PolarHBondContact O-N 3.4Å; E573-T577 WeakPolarHBondContact O-CB 3.14Å; E573-T577 PolarHBondContact O-N 2.81Å; E573-T577 PolarHBondContact O-OG1 3.34Å
574	L	97.1	Very high	96.1	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-41.9	176	-67.3	175.7	0	0	0	111.5	I469 P470 L471 L492 A495 I570 S576 T577 L578	I469-L574 HydrophobicContact CG2-CD2 4.17Å; P470-L574 HydrophobicContact CG-CD2 3.94Å; L471-L574 HydrophobicContact CD1-CD1 4Å; L471-L574 HydrophobicContact CD1-CD2 3.79Å; L471-L574 HydrophobicContact CD2-CD1 4.19Å; L471-L574 HydrophobicContact CD2-CD2 4.12Å; L471-L574 HydrophobicContact CG-CD1 4.46Å; L471-L574 HydrophobicContact CG-CD2 3.8Å; L492-L574 HydrophobicContact CD2-CB 3.58Å; L492-L574 HydrophobicContact CD2-CD1 4.37Å; A495-L574 HydrophobicContact CB-CD1 4.05Å; I570-L574 HydrophobicContact CG2-CD1 3.87Å; I570-L574 HydrophobicContact CG2-CG 4.13Å; I570-L574 WeakPolarHBondContact O-CG 3.47Å; I570-L574 PolarHBondContact O-N 3.2Å; L574-S576 VanDerWaalsContact C-N 3.34Å; L574-S576 PolarHBondContact O-N 3.36Å; L574-T577 WeakPolarHBondContact O-CB 3.2Å; L574-T577 PolarHBondContact O-N 2.86Å; L574-L578 WeakPolarHBondContact O-CG 3.02Å; L574-L578 PolarHBondContact O-N 3.16Å
575	T	97.5	Very high	96.1	Very high	39 Å²	39	51.3 Å²	51.3	24%	0.239	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-44	176.2	-56.8	0	0	0	0	111.1	R571 S572 E573 S579 I585	R571-T575 PolarHBondContact NH1-OG1 2.62Å; R571-T575 VanDerWaalsContact NH1-OG1 3.12Å; R571-T575 WeakPolarHBondContact O-CB 3.37Å; R571-T575 PolarHBondContact O-N 3.14Å; R571-T575 PolarHBondContact O-OG1 2.68Å; S572-T575 PolarHBondContact O-N 3.19Å; E573-T575 PolarHBondContact O-N 3.28Å; T575-S579 WeakPolarHBondContact O-CB 3.25Å; T575-S579 PolarHBondContact O-N 3.45Å; T575-S579 PolarHBondContact O-OG 3.29Å; T575-I585 HydrophobicContact CG2-CD1 3.89Å
576	S	95.9	Very high	96	Very high	78 Å²	78	50.4 Å²	50.4	55%	0.545	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-42.8	174.8	-174.9	0	0	0	0	111.5	S572 E573 L574 S579 R580	S572-S576 WeakPolarHBondContact O-CB 3.42Å; S572-S576 PolarHBondContact O-N 3.14Å; E573-S576 WeakPolarHBondContact O-CB 3.4Å; E573-S576 PolarHBondContact O-N 3.4Å; L574-S576 VanDerWaalsContact C-N 3.34Å; L574-S576 PolarHBondContact O-N 3.36Å; S576-S579 PolarHBondContact O-N 3.44Å; S576-R580 WeakPolarHBondContact O-CB 3.31Å; S576-R580 PolarHBondContact O-N 3.3Å
577	T	95	Very high	95.9	Very high	14 Å²	14	55.6 Å²	55.6	9%	0.086	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-51.3	177.8	-59.9	0	0	0	0	111.4	E468 E573 L574 S579 R580 I581	E468-T577 WeakPolarHBondContact O-CG2 3.28Å; E573-T577 WeakPolarHBondContact O-CB 3.14Å; E573-T577 PolarHBondContact O-N 2.81Å; E573-T577 PolarHBondContact O-OG1 3.34Å; L574-T577 WeakPolarHBondContact O-CB 3.2Å; L574-T577 PolarHBondContact O-N 2.86Å; T577-S579 VanDerWaalsContact C-N 3.27Å; T577-S579 PolarHBondContact O-N 3.07Å; T577-R580 WeakPolarHBondContact O-CB 3.21Å; T577-R580 PolarHBondContact O-N 3.43Å; T577-R580 VanDerWaalsContact O-N 3.15Å; T577-I581 WeakPolarHBondContact O-CG1 3.28Å; T577-I581 PolarHBondContact O-N 2.99Å; T577-I581 VanDerWaalsContact O-N 3.08Å
578	L	96.1	Very high	95.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.6	-40.2	176.8	-67.1	-175.9	0	0	0	111.9	I469 L479 V488 L492 L574 I581 E582 L583 I585	I469-L578 HydrophobicContact CD1-CD2 4.27Å; L479-L578 HydrophobicContact CD1-CD1 4.2Å; L479-L578 HydrophobicContact CD2-CD1 4.25Å; L479-L578 HydrophobicContact CD2-CD2 4.22Å; L479-L578 HydrophobicContact CD2-CG 4.48Å; L479-L578 HydrophobicContact CG-CD1 4.29Å; L479-L578 HydrophobicContact CG-CD2 4.43Å; V488-L578 HydrophobicContact CG1-CD1 3.82Å; L492-L578 HydrophobicContact CD1-CD1 4.07Å; L492-L578 HydrophobicContact CD2-CD1 3.79Å; L492-L578 HydrophobicContact CG-CD1 4.12Å; L574-L578 WeakPolarHBondContact O-CG 3.02Å; L574-L578 PolarHBondContact O-N 3.16Å; L578-I581 HydrophobicContact CD2-CD1 4.47Å; L578-I581 CarbonylContact O-C 3.58Å; L578-I581 PolarHBondContact O-N 2.91Å; L578-E582 PolarHBondContact O-N 3.4Å; L578-E582 VanDerWaalsContact O-N 3.14Å; L578-L583 HydrophobicContact CB-CB 4.36Å; L578-L583 HydrophobicContact CD2-CB 4.27Å; L578-L583 HydrophobicContact CD2-CD1 3.66Å; L578-L583 PolarHBondContact O-N 3.39Å; L578-I585 HydrophobicContact CB-CD1 4.3Å; L578-I585 HydrophobicContact CB-CG1 4.39Å; L578-I585 HydrophobicContact CD1-CG1 4.42Å
579	S	96	Very high	95.5	Very high	68 Å²	68	60.5 Å²	60.5	48%	0.476	34%	0.338	S	S	.	.	H	α-helix	trans	-65.9	-40.7	176.9	-56.1	0	0	0	0	112.1	T575 S576 T577 I581 E582	T575-S579 WeakPolarHBondContact O-CB 3.25Å; T575-S579 PolarHBondContact O-N 3.45Å; T575-S579 PolarHBondContact O-OG 3.29Å; S576-S579 PolarHBondContact O-N 3.44Å; T577-S579 VanDerWaalsContact C-N 3.27Å; T577-S579 PolarHBondContact O-N 3.07Å; S579-I581 VanDerWaalsContact C-N 3.33Å; S579-I581 PolarHBondContact O-N 3.22Å; S579-E582 PolarHBondContact O-N 3.21Å
580	R	95.1	Very high	95.5	Very high	140 Å²	140	61 Å²	61	53%	0.528	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-37.8	178	177.7	-178	64.6	89.1	-1.8	112.2	E468 S576 T577 E582	E468-R580 IonicContact OE2-CZ 2.88Å; E468-R580 IonicContact OE2-NH1 3.03Å; E468-R580 PolarHBondContact OE2-NH1 3.24Å; E468-R580 IonicContact OE2-NH2 3.69Å; E468-R580 PolarHBondContact OE2-NH2 2.8Å; S576-R580 WeakPolarHBondContact O-CB 3.31Å; S576-R580 PolarHBondContact O-N 3.3Å; T577-R580 WeakPolarHBondContact O-CB 3.21Å; T577-R580 PolarHBondContact O-N 3.43Å; T577-R580 VanDerWaalsContact O-N 3.15Å; R580-E582 VanDerWaalsContact C-N 3.3Å
581	I	94.3	Very high	95.2	Very high	44 Å²	44	62.6 Å²	62.6	23%	0.226	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	13.5	177.6	68.4	-173.7	0	0	0	112.9	I465 E468 I469 T577 L578 S579 L583	I465-I581 HydrophobicContact CG2-CD1 4.22Å; E468-I581 HydrophobicContact CB-CG2 4.28Å; E468-I581 HydrophobicContact CG-CG2 4.48Å; I469-I581 HydrophobicContact CG1-CD1 4.3Å; T577-I581 WeakPolarHBondContact O-CG1 3.28Å; T577-I581 PolarHBondContact O-N 2.99Å; T577-I581 VanDerWaalsContact O-N 3.08Å; L578-I581 HydrophobicContact CD2-CD1 4.47Å; L578-I581 CarbonylContact O-C 3.58Å; L578-I581 PolarHBondContact O-N 2.91Å; S579-I581 VanDerWaalsContact C-N 3.33Å; S579-I581 PolarHBondContact O-N 3.22Å; I581-L583 VanDerWaalsContact C-N 3.31Å; I581-L583 HydrophobicContact CD1-CD1 3.71Å; I581-L583 HydrophobicContact CD1-CG 4.29Å; I581-L583 HydrophobicContact CG1-CD1 3.97Å; I581-L583 HydrophobicContact CG1-CG 3.99Å; I581-L583 PolarHBondContact O-N 3.01Å
582	E	95.5	Very high	95	Very high	175 Å²	175	64.4 Å²	64.4	82%	0.818	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	29.4	173.5	-54	-173.8	162.2	0	0	115.5	L578 S579 R580	L578-E582 PolarHBondContact O-N 3.4Å; L578-E582 VanDerWaalsContact O-N 3.14Å; S579-E582 PolarHBondContact O-N 3.21Å; R580-E582 VanDerWaalsContact C-N 3.3Å
583	L	95.5	Very high	94.8	Very high	33 Å²	33	69.2 Å²	69.2	17%	0.173	38%	0.382	C	S	.	.			trans	-81.5	139.9	173.3	-71.6	176	0	0	0	111.6	I465 L480 L578 I581	I465-L583 HydrophobicContact CG2-CD1 3.97Å; L480-L583 HydrophobicContact CD1-CD1 3.76Å; L480-L583 HydrophobicContact CD1-CD2 4Å; L578-L583 HydrophobicContact CB-CB 4.36Å; L578-L583 HydrophobicContact CD2-CB 4.27Å; L578-L583 HydrophobicContact CD2-CD1 3.66Å; L578-L583 PolarHBondContact O-N 3.39Å; I581-L583 VanDerWaalsContact C-N 3.31Å; I581-L583 HydrophobicContact CD1-CD1 3.71Å; I581-L583 HydrophobicContact CD1-CG 4.29Å; I581-L583 HydrophobicContact CG1-CD1 3.97Å; I581-L583 HydrophobicContact CG1-CG 3.99Å; I581-L583 PolarHBondContact O-N 3.01Å
584	P	95.1	Very high	94.8	Very high	80 Å²	80	71.4 Å²	71.4	52%	0.519	40%	0.399	S	S	.	.			trans	-69.1	140.4	-178.4	29.6	-34.6	0	0	0	110.9	C483 V488	C483-P584 HydrophobicContact CB-CG 4.04Å; V488-P584 WeakPolarHBondContact CG2-O 3.44Å
585	I	95.1	Very high	94.7	Very high	67 Å²	67	71.5 Å²	71.5	34%	0.344	40%	0.399	S	S	.	.			trans	-114.7	113.1	175.1	-59.7	167.5	0	0	0	107.6	V488 L492 T575 L578	V488-I585 HydrophobicContact CG1-CB 4.47Å; V488-I585 HydrophobicContact CG1-CG1 4.36Å; V488-I585 HydrophobicContact CG1-CG2 4.27Å; L492-I585 HydrophobicContact CD1-CG2 4.37Å; T575-I585 HydrophobicContact CG2-CD1 3.89Å; L578-I585 HydrophobicContact CB-CD1 4.3Å; L578-I585 HydrophobicContact CB-CG1 4.39Å; L578-I585 HydrophobicContact CD1-CG1 4.42Å
586	S	94.6	Very high	94.7	Very high	22 Å²	22	70.2 Å²	70.2	15%	0.154	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-72.7	151.9	179.2	66.3	0	0	0	0	112.3	D486 C487 V488 S489	D486-S586 VanDerWaalsContact O-CB 3.31Å; D486-S586 WeakPolarHBondContact O-CB 3.23Å; D486-S586 PolarHBondContact O-OG 3.35Å; C487-S586 PolarHBondContact N-OG 3.4Å; V488-S586 PolarHBondContact N-OG 3.21Å; S489-S586 WeakPolarHBondContact CB-O 3.3Å
587	E	93.2	Very high	94.7	Very high	161 Å²	161	69 Å²	69	75%	0.752	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-68.2	148.4	172.6	-70.5	-65.4	159.6	0	0	111.1	A589	E587-A589 PolarHBondContact O-N 3.05Å
588	P	92.4	Very high	94.8	Very high	91 Å²	91	69.4 Å²	69.4	59%	0.591	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-60	127.3	178.6	-17.4	27.8	0	0	0	112.5	E490	E490-P588 WeakPolarHBondContact OE1-CA 3.32Å
589	A	93.7	Very high	94.9	Very high	42 Å²	42	69.4 Å²	69.4	35%	0.347	38%	0.38	S	S	.	.			trans	-130.6	13.3	-179.7	0	0	0	0	0	113.4	E490 E587 G591 T592 N595	E490-A589 PolarHBondContact OE1-N 3.29Å; E587-A589 PolarHBondContact O-N 3.05Å; A589-G591 PolarHBondContact O-N 3.15Å; A589-T592 PolarHBondContact O-OG1 2.79Å; A589-N595 HydrophobicContact CB-CB 4.2Å; A589-N595 WeakPolarHBondContact O-CB 3.38Å
590	F	95.9	Very high	95	Very high	49 Å²	49	66.9 Å²	66.9	22%	0.215	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	133.9	-178.6	-168.3	-110.1	0	0	0	114.2	E490 H524 F530 I533 N534 N595 I599	E490-F590 HydrophobicContact CG-CB 3.91Å; E490-F590 HydrophobicContact CG-CD2 3.92Å; E490-F590 HydrophobicContact CG-CG 4.33Å; E490-F590 PolarHBondContact OE1-N 2.82Å; H524-F590 AromaticContact CD2-CZ 3.78Å; H524-F590 AromaticContact NE2-CZ 3.92Å; F530-F590 HydrophobicContact CB-CE2 4.46Å; F530-F590 HydrophobicContact CB-CZ 4.34Å; F530-F590 AromaticContact CD1-CE2 3.69Å; F530-F590 HydrophobicContact CD1-CE2 3.69Å; F530-F590 HydrophobicContact CD1-CZ 4.23Å; F530-F590 HydrophobicContact CE1-CE2 4.45Å; I533-F590 HydrophobicContact CB-CD2 4.46Å; I533-F590 HydrophobicContact CB-CE1 4.46Å; I533-F590 HydrophobicContact CB-CE2 3.97Å; I533-F590 HydrophobicContact CB-CZ 3.98Å; I533-F590 HydrophobicContact CD1-CD2 3.88Å; I533-F590 HydrophobicContact CD1-CE2 3.54Å; I533-F590 HydrophobicContact CD1-CZ 4.37Å; I533-F590 HydrophobicContact CG1-CE2 4.37Å; I533-F590 HydrophobicContact CG2-CD1 3.91Å; I533-F590 HydrophobicContact CG2-CD2 3.82Å; I533-F590 HydrophobicContact CG2-CE1 3.92Å; I533-F590 HydrophobicContact CG2-CE2 3.78Å; I533-F590 HydrophobicContact CG2-CG 3.85Å; I533-F590 HydrophobicContact CG2-CZ 3.84Å; N534-F590 VanDerWaalsContact OD1-CE1 3.27Å; N534-F590 WeakPolarHBondContact OD1-CE1 3.19Å; F590-N595 VanDerWaalsContact CA-OD1 3.31Å; F590-N595 WeakPolarHBondContact CA-OD1 3.34Å; F590-I599 HydrophobicContact CD2-CD1 4.1Å; F590-I599 HydrophobicContact CE2-CD1 4.38Å
591	G	90.2	Very high	95.2	Very high	56 Å²	56	63.7 Å²	63.7	58%	0.577	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	-7.7	177.9	0	0	0	0	0	115.1	A589	A589-G591 PolarHBondContact O-N 3.15Å
592	T	94.2	Very high	95.4	Very high	70 Å²	70	61.6 Å²	61.6	43%	0.429	34%	0.338	S	S	.	.	S	Bend	trans	-84.8	146.1	170	70.8	0	0	0	0	111.3	A589 T594 N595 T596	A589-T592 PolarHBondContact O-OG1 2.79Å; T592-T594 PolarHBondContact O-N 3.48Å; T592-N595 PolarHBondContact O-N 3.31Å; T592-N595 WeakPolarHBondContact OG1-CB 3.41Å; T592-N595 PolarHBondContact OG1-N 3.07Å; T592-T596 PolarHBondContact O-N 2.95Å; T592-T596 PolarHBondContact O-OG1 3.4Å
593	K	93.2	Very high	95.5	Very high	170 Å²	170	53.2 Å²	53.2	74%	0.739	30%	0.299	S	S	*	.	H	α-helix	trans	-59.8	-33.6	178.8	-173.8	174.2	-178.2	177.5	0	112.9	N597	K593-N597 PolarHBondContact O-N 3.46Å; K593-N597 PolarHBondContact O-ND2 3.31Å
594	T	95.3	Very high	95.6	Very high	97 Å²	97	51.7 Å²	51.7	60%	0.595	29%	0.291	S	S	*	.	H	α-helix	trans	-65.1	-55.5	176.7	-53.8	0	0	0	0	110	T592 T596 N597 D598	T592-T594 PolarHBondContact O-N 3.48Å; T594-T596 VanDerWaalsContact C-N 3.28Å; T594-T596 PolarHBondContact O-N 3.47Å; T594-N597 WeakPolarHBondContact O-CB 3.42Å; T594-N597 PolarHBondContact O-N 3.41Å; T594-D598 WeakPolarHBondContact CG2-OD2 3.35Å; T594-D598 VanDerWaalsContact O-CG 3.27Å; T594-D598 PolarHBondContact O-N 3.05Å; T594-D598 VanDerWaalsContact O-OD2 3.07Å
595	N	96	Very high	95.7	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.027	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-37.2	178.1	178.8	-102.5	0	0	0	112.5	E490 A589 F590 T592 N597 D598 I599	E490-N595 PolarHBondContact OE2-ND2 3.46Å; E490-N595 VanDerWaalsContact OE2-ND2 3.16Å; A589-N595 HydrophobicContact CB-CB 4.2Å; A589-N595 WeakPolarHBondContact O-CB 3.38Å; F590-N595 VanDerWaalsContact CA-OD1 3.31Å; F590-N595 WeakPolarHBondContact CA-OD1 3.34Å; T592-N595 PolarHBondContact O-N 3.31Å; T592-N595 WeakPolarHBondContact OG1-CB 3.41Å; T592-N595 PolarHBondContact OG1-N 3.07Å; N595-N597 VanDerWaalsContact C-N 3.33Å; N595-N597 PolarHBondContact O-N 2.96Å; N595-D598 PolarHBondContact O-N 2.77Å; N595-I599 VanDerWaalsContact O-CG1 3.28Å; N595-I599 WeakPolarHBondContact O-CG1 3.24Å; N595-I599 PolarHBondContact O-N 3.18Å; N595-I599 VanDerWaalsContact OD1-CD1 3.27Å; N595-I599 WeakPolarHBondContact OD1-CD1 3.11Å
596	T	96.6	Very high	95.8	Very high	12 Å²	12	45.1 Å²	45.1	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-56.2	-46	172.4	-63.6	0	0	0	0	112.3	D526 F530 T592 T594 K600	D526-T596 HydrophobicContact CB-CG2 4.23Å; D526-T596 VanDerWaalsContact CG-CG2 3.46Å; D526-T596 VanDerWaalsContact OD2-CG2 3.31Å; D526-T596 WeakPolarHBondContact OD2-CG2 3.48Å; F530-T596 HydrophobicContact CE1-CG2 3.86Å; F530-T596 HydrophobicContact CZ-CG2 4Å; T592-T596 PolarHBondContact O-N 2.95Å; T592-T596 PolarHBondContact O-OG1 3.4Å; T594-T596 VanDerWaalsContact C-N 3.28Å; T594-T596 PolarHBondContact O-N 3.47Å; T596-K600 WeakPolarHBondContact O-CG 3.2Å; T596-K600 PolarHBondContact O-N 2.93Å; T596-K600 VanDerWaalsContact O-N 3.15Å
597	N	96.5	Very high	96	Very high	54 Å²	54	44.3 Å²	44.3	29%	0.289	25%	0.247	S	C	.	.	H	α-helix	trans	-68.6	-37.6	178	-69	-30.1	0	0	0	111.6	K593 T594 N595 K600 R601 M673	K593-N597 PolarHBondContact O-N 3.46Å; K593-N597 PolarHBondContact O-ND2 3.31Å; T594-N597 WeakPolarHBondContact O-CB 3.42Å; T594-N597 PolarHBondContact O-N 3.41Å; N595-N597 VanDerWaalsContact C-N 3.33Å; N595-N597 PolarHBondContact O-N 2.96Å; N597-K600 PolarHBondContact O-N 3.1Å; N597-R601 WeakPolarHBondContact O-CG 3.49Å; N597-R601 PolarHBondContact O-N 3.47Å; N597-M673 HydrophobicContact CB-CE 4.09Å
598	D	97.4	Very high	96.1	Very high	22 Å²	22	36.8 Å²	36.8	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-40.2	179.8	-65.9	-27.1	0	0	0	111.7	F485 C487 T594 N595 R601 A602	F485-D598 HydrophobicContact CB-CB 3.89Å; F485-D598 WeakPolarHBondContact O-CB 3.45Å; C487-D598 HydrophobicContact CB-CB 4.2Å; C487-D598 PolarHBondContact SG-O 2.56Å; T594-D598 WeakPolarHBondContact CG2-OD2 3.35Å; T594-D598 VanDerWaalsContact O-CG 3.27Å; T594-D598 PolarHBondContact O-N 3.05Å; T594-D598 VanDerWaalsContact O-OD2 3.07Å; N595-D598 PolarHBondContact O-N 2.77Å; D598-R601 PolarHBondContact O-N 3.47Å; D598-R601 IonicContact OD1-NH1 2.92Å; D598-R601 PolarHBondContact OD1-NH1 3.2Å; D598-A602 WeakPolarHBondContact O-CB 3.43Å; D598-A602 PolarHBondContact O-N 3.09Å
599	I	98.3	Very high	96.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-46.6	170.4	-66.3	163.7	0	0	0	110.4	C487 E490 I494 F530 I533 F590 N595 R601 A602 L603	C487-I599 HydrophobicContact CB-CG1 3.95Å; E490-I599 HydrophobicContact CB-CD1 3.66Å; E490-I599 HydrophobicContact CB-CG1 3.97Å; E490-I599 HydrophobicContact CG-CD1 3.89Å; I494-I599 HydrophobicContact CD1-CG2 3.78Å; F530-I599 HydrophobicContact CD1-CD1 4.49Å; F530-I599 HydrophobicContact CE1-CB 4.18Å; F530-I599 HydrophobicContact CE1-CD1 3.84Å; F530-I599 HydrophobicContact CE1-CG2 4.11Å; F530-I599 HydrophobicContact CE2-CG2 4.35Å; F530-I599 HydrophobicContact CZ-CB 3.99Å; F530-I599 HydrophobicContact CZ-CG2 3.75Å; I533-I599 HydrophobicContact CD1-CD1 4.27Å; F590-I599 HydrophobicContact CD2-CD1 4.1Å; F590-I599 HydrophobicContact CE2-CD1 4.38Å; N595-I599 VanDerWaalsContact O-CG1 3.28Å; N595-I599 WeakPolarHBondContact O-CG1 3.24Å; N595-I599 PolarHBondContact O-N 3.18Å; N595-I599 VanDerWaalsContact OD1-CD1 3.27Å; N595-I599 WeakPolarHBondContact OD1-CD1 3.11Å; I599-R601 VanDerWaalsContact C-N 3.33Å; I599-R601 PolarHBondContact O-N 3.46Å; I599-A602 PolarHBondContact O-N 3.25Å; I599-L603 HydrophobicContact CG2-CD1 4.02Å; I599-L603 HydrophobicContact CG2-CG 4.32Å; I599-L603 WeakPolarHBondContact O-CG 3.37Å; I599-L603 PolarHBondContact O-N 2.84Å
600	K	97.9	Very high	96.4	Very high	15 Å²	15	32.2 Å²	32.2	7%	0.065	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-40	178.8	-70.1	-179.9	-173.1	-166.7	0	111.9	D526 F530 T596 N597 L603 L604 E668 M673	D526-K600 WeakPolarHBondContact OD1-CE 3.48Å; D526-K600 IonicContact OD1-NZ 3.45Å; D526-K600 PolarHBondContact OD1-NZ 3.42Å; F530-K600 HydrophobicContact CE2-CG 4.16Å; F530-K600 HydrophobicContact CZ-CG 3.94Å; T596-K600 WeakPolarHBondContact O-CG 3.2Å; T596-K600 PolarHBondContact O-N 2.93Å; T596-K600 VanDerWaalsContact O-N 3.15Å; N597-K600 PolarHBondContact O-N 3.1Å; K600-L603 PolarHBondContact O-N 3.24Å; K600-L604 WeakPolarHBondContact O-CB 3.45Å; K600-L604 VanDerWaalsContact O-CG 3.26Å; K600-L604 WeakPolarHBondContact O-CG 3.34Å; K600-L604 PolarHBondContact O-N 3.3Å; K600-E668 WeakPolarHBondContact CD-O 3.39Å; K600-E668 WeakPolarHBondContact CE-O 3.24Å; K600-E668 PolarHBondContact NZ-O 3.03Å; K600-M673 HydrophobicContact CB-CE 4.2Å; K600-M673 HydrophobicContact CB-SD 3.45Å; K600-M673 WeakPolarHBondContact CB-SD 3.48Å
601	R	98.1	Very high	96.4	Very high	72 Å²	72	30 Å²	30	27%	0.272	17%	0.166	S	C	.	.	H	α-helix	trans	-63.9	-46.3	174.2	-72.6	-179.5	-173.1	136	-6.1	111.9	F485 N597 D598 I599 L603 L604 A605 M673 M677	F485-R601 HydrophobicContact CD1-CB 4.29Å; F485-R601 HydrophobicContact CD2-CB 3.97Å; F485-R601 HydrophobicContact CE1-CB 4.11Å; F485-R601 HydrophobicContact CE2-CB 3.77Å; F485-R601 HydrophobicContact CG-CB 4.24Å; F485-R601 HydrophobicContact CZ-CB 3.86Å; N597-R601 WeakPolarHBondContact O-CG 3.49Å; N597-R601 PolarHBondContact O-N 3.47Å; D598-R601 PolarHBondContact O-N 3.47Å; D598-R601 IonicContact OD1-NH1 2.92Å; D598-R601 PolarHBondContact OD1-NH1 3.2Å; I599-R601 VanDerWaalsContact C-N 3.33Å; I599-R601 PolarHBondContact O-N 3.46Å; R601-L603 PolarHBondContact O-N 3.44Å; R601-L604 PolarHBondContact O-N 3.22Å; R601-A605 PolarHBondContact O-N 3.38Å; R601-M673 HydrophobicContact CG-CE 4.37Å; R601-M673 HydrophobicContact CG-CG 4.03Å; R601-M673 HydrophobicContact CG-SD 4Å; R601-M677 HydrophobicContact CB-CE 4.42Å; R601-M677 HydrophobicContact CB-CG 4.35Å; R601-M677 HydrophobicContact CB-SD 3.96Å; R601-M677 HydrophobicContact CG-CG 4.26Å; R601-M677 HydrophobicContact CG-SD 4.01Å; R601-M677 WeakPolarHBondContact O-CE 3.32Å
602	A	98.1	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.6	-45.4	176.7	0	0	0	0	0	111.7	A478 F485 V491 D598 I599 L604 A605	A478-A602 VanDerWaalsContact CA-O 3.3Å; A478-A602 WeakPolarHBondContact CA-O 3.27Å; A478-A602 WeakPolarHBondContact CB-O 3.17Å; F485-A602 HydrophobicContact CD2-CB 4.07Å; V491-A602 HydrophobicContact CG2-CB 3.96Å; D598-A602 WeakPolarHBondContact O-CB 3.43Å; D598-A602 PolarHBondContact O-N 3.09Å; I599-A602 PolarHBondContact O-N 3.25Å; A602-L604 PolarHBondContact O-N 3.07Å; A602-A605 WeakPolarHBondContact O-CB 3.49Å; A602-A605 PolarHBondContact O-N 2.84Å
603	L	98.4	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.8	-46.9	173.8	-69.4	174.5	0	0	0	111.2	I494 H529 I599 K600 R601 A605 G606 F607	I494-L603 HydrophobicContact CG2-CD2 4.29Å; H529-L603 HydrophobicContact CB-CD1 4.04Å; I599-L603 HydrophobicContact CG2-CD1 4.02Å; I599-L603 HydrophobicContact CG2-CG 4.32Å; I599-L603 WeakPolarHBondContact O-CG 3.37Å; I599-L603 PolarHBondContact O-N 2.84Å; K600-L603 PolarHBondContact O-N 3.24Å; R601-L603 PolarHBondContact O-N 3.44Å; L603-A605 VanDerWaalsContact C-N 3.26Å; L603-A605 PolarHBondContact O-N 2.66Å; L603-G606 PolarHBondContact O-N 2.85Å; L603-G606 VanDerWaalsContact O-N 3.15Å; L603-F607 VanDerWaalsContact O-CB 3.32Å; L603-F607 WeakPolarHBondContact O-CB 3.47Å; L603-F607 WeakPolarHBondContact O-CD2 3.31Å; L603-F607 PolarHBondContact O-N 2.86Å
604	L	98.1	Very high	96.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.6	-30.4	178.3	-76.9	170.4	0	0	0	113.3	K600 R601 A602 G606 F608 I611 I669 M673 F674 M677	K600-L604 WeakPolarHBondContact O-CB 3.45Å; K600-L604 VanDerWaalsContact O-CG 3.26Å; K600-L604 WeakPolarHBondContact O-CG 3.34Å; K600-L604 PolarHBondContact O-N 3.3Å; R601-L604 PolarHBondContact O-N 3.22Å; A602-L604 PolarHBondContact O-N 3.07Å; L604-G606 PolarHBondContact O-N 2.91Å; L604-F608 VanDerWaalsContact O-CB 3.26Å; L604-F608 WeakPolarHBondContact O-CB 3.42Å; L604-F608 VanDerWaalsContact O-CD1 3.31Å; L604-F608 WeakPolarHBondContact O-CD1 3.27Å; L604-F608 PolarHBondContact O-N 3.04Å; L604-F608 VanDerWaalsContact O-N 3.13Å; L604-I611 HydrophobicContact CD2-CD1 3.68Å; L604-I669 HydrophobicContact CD1-CG2 4.25Å; L604-I669 HydrophobicContact CD2-CD1 4.02Å; L604-I669 HydrophobicContact CD2-CG2 4.29Å; L604-I669 HydrophobicContact CG-CG2 4.33Å; L604-M673 HydrophobicContact CD1-CB 4.03Å; L604-M673 HydrophobicContact CD1-CG 3.49Å; L604-M673 VanDerWaalsContact CD1-CG 3.49Å; L604-M673 HydrophobicContact CD1-SD 3.72Å; L604-F674 HydrophobicContact CD2-CD2 4.3Å; L604-M677 HydrophobicContact CB-CB 3.79Å; L604-M677 HydrophobicContact CB-CG 3.99Å; L604-M677 HydrophobicContact CD1-CG 4.35Å
605	A	97.6	Very high	96.4	Very high	9 Å²	9	15.2 Å²	15.2	7%	0.074	8%	0.077	C	C	.	.	H	α-helix	trans	-63	-28.9	176.4	0	0	0	0	0	113.2	K477 A481 R601 A602 L603 F608 M677	K477-A605 VanDerWaalsContact CG-O 3.3Å; K477-A605 WeakPolarHBondContact CG-O 3.43Å; A481-A605 HydrophobicContact CB-CB 3.39Å; R601-A605 PolarHBondContact O-N 3.38Å; A602-A605 WeakPolarHBondContact O-CB 3.49Å; A602-A605 PolarHBondContact O-N 2.84Å; L603-A605 VanDerWaalsContact C-N 3.26Å; L603-A605 PolarHBondContact O-N 2.66Å; A605-F608 WeakPolarHBondContact O-CD1 3.5Å; A605-F608 WeakPolarHBondContact O-CE1 3.43Å; A605-M677 HydrophobicContact CB-CE 3.83Å
606	G	97.1	Very high	95.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-101.9	-34	176.5	0	0	0	0	0	114.5	Q474 L603 L604	Q474-G606 WeakPolarHBondContact CB-O 3.21Å; Q474-G606 WeakPolarHBondContact CG-O 3.5Å; Q474-G606 VanDerWaalsContact O-CA 3.28Å; Q474-G606 WeakPolarHBondContact O-CA 3.49Å; L603-G606 PolarHBondContact O-N 2.85Å; L603-G606 VanDerWaalsContact O-N 3.15Å; L604-G606 PolarHBondContact O-N 2.91Å
607	F	97.5	Very high	95.2	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-108.4	18.3	-169.8	-68	-92	0	0	0	113.5	Q474 M475 A478 L603 M609 Q610 V652 N654	Q474-F607 HydrophobicContact CB-CD1 4.41Å; Q474-F607 HydrophobicContact CB-CE1 4.1Å; Q474-F607 HydrophobicContact CB-CE2 4.37Å; Q474-F607 HydrophobicContact CB-CZ 4.06Å; M475-F607 HydrophobicContact CB-CE2 4.37Å; M475-F607 HydrophobicContact CB-CZ 4.17Å; M475-F607 HydrophobicContact CE-CE2 3.75Å; M475-F607 HydrophobicContact CE-CZ 3.64Å; M475-F607 HydrophobicContact SD-CE2 4.02Å; M475-F607 HydrophobicContact SD-CZ 4.36Å; A478-F607 HydrophobicContact CB-CD2 4.21Å; A478-F607 HydrophobicContact CB-CE2 4.09Å; L603-F607 VanDerWaalsContact O-CB 3.32Å; L603-F607 WeakPolarHBondContact O-CB 3.47Å; L603-F607 WeakPolarHBondContact O-CD2 3.31Å; L603-F607 PolarHBondContact O-N 2.86Å; F607-M609 PolarHBondContact O-N 3.21Å; F607-M609 VanDerWaalsContact O-N 3.09Å; F607-Q610 PolarHBondContact O-N 3.09Å; F607-V652 HydrophobicContact CB-CG2 3.61Å; F607-N654 WeakPolarHBondContact CE1-OD1 3.23Å
608	F	96.4	Very high	94.6	Very high	3 Å²	3	23 Å²	23	1%	0.013	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.2	176.6	59.1	-94.8	0	0	0	113.8	Y449 L450 L604 A605 Q610 I611 F674 A678 P679 F682	Y449-F608 WeakPolarHBondContact O-CZ 3.5Å; L450-F608 HydrophobicContact CD2-CE1 3.96Å; L450-F608 HydrophobicContact CD2-CZ 4.23Å; L604-F608 VanDerWaalsContact O-CB 3.26Å; L604-F608 WeakPolarHBondContact O-CB 3.42Å; L604-F608 VanDerWaalsContact O-CD1 3.31Å; L604-F608 WeakPolarHBondContact O-CD1 3.27Å; L604-F608 PolarHBondContact O-N 3.04Å; L604-F608 VanDerWaalsContact O-N 3.13Å; A605-F608 WeakPolarHBondContact O-CD1 3.5Å; A605-F608 WeakPolarHBondContact O-CE1 3.43Å; F608-Q610 VanDerWaalsContact C-N 3.29Å; F608-I611 WeakPolarHBondContact O-CG1 3.35Å; F608-F674 HydrophobicContact CB-CE2 4.12Å; F608-F674 WeakPolarHBondContact O-CE2 3.48Å; F608-A678 HydrophobicContact CB-CB 4.23Å; F608-P679 HydrophobicContact CE1-CG 4.1Å; F608-P679 HydrophobicContact CE2-CG 4.12Å; F608-P679 HydrophobicContact CZ-CG 3.86Å; F608-F682 HydrophobicContact CD2-CB 4.43Å; F608-F682 AromaticContact CD2-CD1 3.56Å; F608-F682 HydrophobicContact CD2-CD1 3.56Å; F608-F682 HydrophobicContact CD2-CD2 4.24Å; F608-F682 AromaticContact CD2-CE1 3.77Å; F608-F682 HydrophobicContact CD2-CE1 3.77Å; F608-F682 HydrophobicContact CD2-CE2 4.44Å; F608-F682 AromaticContact CD2-CG 3.81Å; F608-F682 HydrophobicContact CD2-CG 3.81Å; F608-F682 HydrophobicContact CD2-CZ 4.22Å; F608-F682 HydrophobicContact CE2-CB 4.09Å; F608-F682 HydrophobicContact CE2-CD1 4.04Å; F608-F682 HydrophobicContact CE2-CD2 4.05Å; F608-F682 AromaticContact CE2-CG 3.78Å; F608-F682 HydrophobicContact CE2-CG 3.78Å; F608-F682 WeakPolarHBondContact O-CE1 3.44Å
609	M	95.4	Very high	94	Very high	7 Å²	7	22.5 Å²	22.5	3%	0.034	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-12	172.8	-65.2	172.2	-78.4	0	0	113.3	E446 Y449 L450 Q474 F607 T625 F682	E446-M609 HydrophobicContact CG-CE 3.79Å; E446-M609 HydrophobicContact CG-SD 3.97Å; Y449-M609 HydrophobicContact CD2-SD 4.03Å; L450-M609 HydrophobicContact CD1-CE 4.43Å; L450-M609 HydrophobicContact CD2-CE 4.01Å; L450-M609 HydrophobicContact CG-CE 4.08Å; Q474-M609 HydrophobicContact CG-CE 4.17Å; F607-M609 PolarHBondContact O-N 3.21Å; F607-M609 VanDerWaalsContact O-N 3.09Å; M609-T625 HydrophobicContact CB-CG2 4.44Å; M609-T625 WeakPolarHBondContact O-CG2 3.37Å; M609-F682 HydrophobicContact CB-CE2 4.36Å; M609-F682 HydrophobicContact CB-CZ 4.4Å; M609-F682 HydrophobicContact CG-CD2 4.14Å; M609-F682 HydrophobicContact CG-CE2 3.65Å; M609-F682 HydrophobicContact CG-CZ 4.03Å
610	Q	96.2	Very high	93.6	Very high	30 Å²	30	25.3 Å²	25.3	14%	0.14	15%	0.151	C	C	.	.	S	Bend	trans	-115.4	56.5	-172.2	-63.2	-178.4	-108.7	0	0	110.9	F607 F608 V652 F653 N654	F607-Q610 PolarHBondContact O-N 3.09Å; F608-Q610 VanDerWaalsContact C-N 3.29Å; Q610-V652 WeakPolarHBondContact O-CA 3.42Å; Q610-F653 VanDerWaalsContact C-CD1 3.49Å; Q610-F653 HydrophobicContact CB-CD1 4.28Å; Q610-F653 HydrophobicContact CB-CD2 3.98Å; Q610-F653 HydrophobicContact CB-CE1 4.04Å; Q610-F653 HydrophobicContact CB-CE2 3.72Å; Q610-F653 HydrophobicContact CB-CG 4.25Å; Q610-F653 HydrophobicContact CB-CZ 3.76Å; Q610-F653 WeakPolarHBondContact CB-O 3.27Å; Q610-F653 HydrophobicContact CG-CE2 3.99Å; Q610-F653 HydrophobicContact CG-CZ 4.23Å; Q610-F653 PolarHBondContact NE2-O 3.48Å; Q610-F653 WeakPolarHBondContact O-CD1 3.19Å; Q610-F653 VanDerWaalsContact O-CE1 3.29Å; Q610-F653 WeakPolarHBondContact O-CE1 3.25Å; Q610-F653 PolarHBondContact O-N 3.43Å; Q610-N654 PolarHBondContact NE2-O 3Å
611	I	97	Very high	93.4	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.2	179.6	-53.2	-54.3	0	0	0	110	L604 F608 L624 W650 V651 V652 I669 F674	L604-I611 HydrophobicContact CD2-CD1 3.68Å; F608-I611 WeakPolarHBondContact O-CG1 3.35Å; I611-L624 HydrophobicContact CB-CD2 4.11Å; I611-L624 HydrophobicContact CG2-CD1 4.14Å; I611-L624 HydrophobicContact CG2-CD2 3.89Å; I611-L624 PolarHBondContact O-N 2.89Å; I611-W650 HydrophobicContact CG2-CE3 4.16Å; I611-V651 WeakPolarHBondContact CA-O 3.25Å; I611-V652 HydrophobicContact CD1-CB 3.78Å; I611-V652 HydrophobicContact CD1-CG2 3.86Å; I611-I669 HydrophobicContact CD1-CD1 3.85Å; I611-I669 HydrophobicContact CG2-CD1 3.99Å; I611-F674 HydrophobicContact CB-CE2 4.46Å; I611-F674 HydrophobicContact CD1-CD2 4.28Å; I611-F674 HydrophobicContact CG1-CD2 3.7Å; I611-F674 HydrophobicContact CG1-CE2 3.61Å
612	A	96.2	Very high	93.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.9	173	0	0	0	0	0	111.4	Y621 L622 I623 V651 F653 L663	A612-Y621 HydrophobicContact CB-CD1 4.26Å; A612-L622 CarbonylContact C-O 3.57Å; A612-L622 VanDerWaalsContact CA-O 3.25Å; A612-L622 WeakPolarHBondContact CA-O 3.33Å; A612-I623 HydrophobicContact CB-CG1 4.22Å; A612-V651 HydrophobicContact CB-CG2 4.08Å; A612-V651 PolarHBondContact N-O 3.08Å; A612-V651 WeakPolarHBondContact O-CG2 3.19Å; A612-V651 PolarHBondContact O-N 3.49Å; A612-F653 HydrophobicContact CB-CD1 4.24Å; A612-F653 HydrophobicContact CB-CE1 4.15Å; A612-L663 HydrophobicContact CB-CD1 3.69Å
613	R	95.6	Very high	93.2	Very high	15 Å²	15	22.9 Å²	22.9	6%	0.057	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.8	179.7	-173.4	-165.2	178.2	-143.4	-6.5	111.3	V615 Y621 L622 L624 E649 W650 E690 S691 I694	R613-V615 PolarHBondContact O-N 3.11Å; R613-Y621 CarbonylContact O-C 3.51Å; R613-Y621 WeakPolarHBondContact O-CA 3.48Å; R613-L622 PolarHBondContact N-O 3.4Å; R613-L622 PolarHBondContact O-N 3.39Å; R613-L624 HydrophobicContact CB-CD1 4.28Å; R613-E649 CarbonylContact C-O 3.59Å; R613-E649 WeakPolarHBondContact CA-O 3.48Å; R613-E649 HydrophobicContact CG-CG 4.12Å; R613-E649 WeakPolarHBondContact CG-O 3.34Å; R613-E649 IonicContact CZ-OE1 3.28Å; R613-E649 VanDerWaalsContact CZ-OE1 3.28Å; R613-E649 IonicContact NE-OE1 3.68Å; R613-E649 PolarHBondContact NE-OE1 3.32Å; R613-E649 IonicContact NH2-OE1 3.66Å; R613-E649 PolarHBondContact NH2-OE1 3.37Å; R613-W650 HydrophobicContact CB-CD2 4.26Å; R613-W650 HydrophobicContact CB-CE3 4.16Å; R613-W650 HydrophobicContact CB-CZ3 4.3Å; R613-W650 VanDerWaalsContact CD-CZ2 3.43Å; R613-W650 HydrophobicContact CG-CD2 3.97Å; R613-W650 HydrophobicContact CG-CE3 4.34Å; R613-W650 HydrophobicContact CG-CG 4.44Å; R613-W650 HydrophobicContact CG-CH2 4.42Å; R613-W650 HydrophobicContact CG-CZ2 4.02Å; R613-E690 IonicContact CZ-OE1 3.07Å; R613-E690 IonicContact NH1-OE1 3.66Å; R613-E690 PolarHBondContact NH1-OE1 3.1Å; R613-E690 IonicContact NH2-OE1 3.63Å; R613-E690 PolarHBondContact NH2-OE1 3.29Å; R613-S691 WeakPolarHBondContact CD-OG 3.43Å; R613-I694 VanDerWaalsContact NH1-CD1 3.32Å; R613-I694 VanDerWaalsContact NH2-CD1 3.26Å
614	D	93	Very high	93	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.037	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	111.7	166.1	-173.1	-3.9	0	0	0	109.2	D616 G617 S618 G619 Y621 E649	D614-D616 PolarHBondContact OD1-N 3.16Å; D614-G617 WeakPolarHBondContact OD1-CA 3.49Å; D614-G617 PolarHBondContact OD1-N 3.3Å; D614-G617 VanDerWaalsContact OD2-C 3.29Å; D614-G617 VanDerWaalsContact OD2-CA 3.23Å; D614-G617 WeakPolarHBondContact OD2-CA 3.44Å; D614-S618 PolarHBondContact OD1-N 3.47Å; D614-S618 PolarHBondContact OD2-N 2.99Å; D614-G619 WeakPolarHBondContact OD2-CA 3.38Å; D614-G619 PolarHBondContact OD2-N 3.03Å; D614-Y621 HydrophobicContact CB-CD1 4.02Å; D614-Y621 HydrophobicContact CB-CD2 4.41Å; D614-Y621 HydrophobicContact CB-CE1 3.8Å; D614-Y621 HydrophobicContact CB-CE2 4.17Å; D614-Y621 HydrophobicContact CB-CG 4.34Å; D614-E649 PolarHBondContact N-O 3.05Å
615	V	86.1	Confident	92.7	Very high	62 Å²	62	24.8 Å²	24.8	38%	0.376	16%	0.156	S	C	.	.	S	Bend	trans	-84.5	-31.2	-172	-177.6	0	0	0	0	112	R613 L622	R613-V615 PolarHBondContact O-N 3.11Å; V615-L622 HydrophobicContact CG2-CB 4.27Å
616	D	84.1	Confident	92.3	Very high	113 Å²	113	26.1 Å²	26.1	60%	0.604	16%	0.162	S	C	*	.	S	Bend	trans	-119.2	0.7	-171.9	66.4	-4.3	0	0	0	113.8	D614 S618	D614-D616 PolarHBondContact OD1-N 3.16Å; D616-S618 PolarHBondContact O-N 2.95Å; D616-S618 WeakPolarHBondContact OD1-CB 3.49Å; D616-S618 PolarHBondContact OD1-N 3.14Å; D616-S618 PolarHBondContact OD1-OG 3.22Å; D616-S618 PolarHBondContact OD2-OG 3.08Å; D616-S618 VanDerWaalsContact OD2-OG 3.1Å
617	G	83.4	Confident	91.9	Very high	60 Å²	60	29 Å²	29	62%	0.619	18%	0.178	S	C	*	.	S	Bend	trans	72.9	13.1	-178.8	0	0	0	0	0	112.9	D614 G619	D614-G617 WeakPolarHBondContact OD1-CA 3.49Å; D614-G617 PolarHBondContact OD1-N 3.3Å; D614-G617 VanDerWaalsContact OD2-C 3.29Å; D614-G617 VanDerWaalsContact OD2-CA 3.23Å; D614-G617 WeakPolarHBondContact OD2-CA 3.44Å; G617-G619 VanDerWaalsContact C-N 3.33Å
618	S	83.8	Confident	91.6	Very high	62 Å²	62	32.8 Å²	32.8	43%	0.434	20%	0.195	S	C	.	.	S	Bend	trans	-87.2	-3.9	-179.6	72.1	0	0	0	0	113.1	D614 D616 N620	D614-S618 PolarHBondContact OD1-N 3.47Å; D614-S618 PolarHBondContact OD2-N 2.99Å; D616-S618 PolarHBondContact O-N 2.95Å; D616-S618 WeakPolarHBondContact OD1-CB 3.49Å; D616-S618 PolarHBondContact OD1-N 3.14Å; D616-S618 PolarHBondContact OD1-OG 3.22Å; D616-S618 PolarHBondContact OD2-OG 3.08Å; D616-S618 VanDerWaalsContact OD2-OG 3.1Å; S618-N620 PolarHBondContact OG-ND2 3.44Å
619	G	85.4	Confident	91.5	Very high	11 Å²	11	35.9 Å²	35.9	11%	0.113	21%	0.214	C	C	.	.	S	Bend	trans	80.1	17.5	-173.1	0	0	0	0	0	113.8	D614 G617 Y621 L647	D614-G619 WeakPolarHBondContact OD2-CA 3.38Å; D614-G619 PolarHBondContact OD2-N 3.03Å; G617-G619 VanDerWaalsContact C-N 3.33Å; G619-Y621 WeakPolarHBondContact O-CD2 3.4Å; G619-L647 VanDerWaalsContact CA-CD1 3.5Å
620	N	90.4	Very high	91.4	Very high	58 Å²	58	35.6 Å²	35.6	31%	0.31	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	101.5	171.9	-68.4	-47.5	0	0	0	108.8	S618 V629 Q631	S618-N620 PolarHBondContact OG-ND2 3.44Å; N620-V629 HydrophobicContact CB-CG1 3.82Å; N620-Q631 PolarHBondContact OD1-NE2 3.21Å; N620-Q631 VanDerWaalsContact OD1-NE2 3.11Å
621	Y	94.2	Very high	91.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.1	-174.4	-73.9	-100.4	0	0	0	110.8	A612 R613 D614 G619 V629 A630 L632 P648 V651 L663	A612-Y621 HydrophobicContact CB-CD1 4.26Å; R613-Y621 CarbonylContact O-C 3.51Å; R613-Y621 WeakPolarHBondContact O-CA 3.48Å; D614-Y621 HydrophobicContact CB-CD1 4.02Å; D614-Y621 HydrophobicContact CB-CD2 4.41Å; D614-Y621 HydrophobicContact CB-CE1 3.8Å; D614-Y621 HydrophobicContact CB-CE2 4.17Å; D614-Y621 HydrophobicContact CB-CG 4.34Å; G619-Y621 WeakPolarHBondContact O-CD2 3.4Å; Y621-V629 CarbonylContact O-C 3.58Å; Y621-V629 WeakPolarHBondContact O-CA 3.1Å; Y621-A630 PolarHBondContact N-O 3.32Å; Y621-A630 PolarHBondContact O-N 2.91Å; Y621-L632 HydrophobicContact CD2-CD2 3.72Å; Y621-L632 HydrophobicContact CD2-CG 3.92Å; Y621-L632 HydrophobicContact CE1-CD2 4.42Å; Y621-L632 HydrophobicContact CE2-CD1 3.75Å; Y621-L632 HydrophobicContact CE2-CD2 3.59Å; Y621-L632 HydrophobicContact CE2-CG 3.47Å; Y621-L632 VanDerWaalsContact CE2-CG 3.47Å; Y621-L632 HydrophobicContact CG-CD2 4.22Å; Y621-P648 VanDerWaalsContact CE1-O 3.29Å; Y621-P648 WeakPolarHBondContact CE1-O 3.42Å; Y621-P648 PolarHBondContact OH-O 3.04Å; Y621-V651 HydrophobicContact CD1-CG2 3.62Å; Y621-V651 HydrophobicContact CE1-CB 4.38Å; Y621-V651 HydrophobicContact CE1-CG1 3.8Å; Y621-V651 HydrophobicContact CE1-CG2 3.66Å; Y621-L663 HydrophobicContact CG-CD1 4.31Å
622	L	95.3	Very high	90.8	Very high	35 Å²	35	40.4 Å²	40.4	18%	0.183	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.7	172.6	-170.5	74.2	0	0	0	109.7	A612 R613 V615 N627 V629	A612-L622 CarbonylContact C-O 3.57Å; A612-L622 VanDerWaalsContact CA-O 3.25Å; A612-L622 WeakPolarHBondContact CA-O 3.33Å; R613-L622 PolarHBondContact N-O 3.4Å; R613-L622 PolarHBondContact O-N 3.39Å; V615-L622 HydrophobicContact CG2-CB 4.27Å; L622-N627 HydrophobicContact CD1-CB 4.12Å; L622-N627 WeakPolarHBondContact CD1-O 3.4Å; L622-V629 HydrophobicContact CD1-CG2 3.73Å
623	I	95.6	Very high	90.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.6	175.6	-59.8	172.2	0	0	0	109.3	A612 T625 N626 N627 H628 A630 F653 Y656 L663	A612-I623 HydrophobicContact CB-CG1 4.22Å; I623-T625 PolarHBondContact O-N 3.4Å; I623-N626 WeakPolarHBondContact CB-OD1 3.33Å; I623-N626 WeakPolarHBondContact CG2-OD1 3.28Å; I623-N627 VanDerWaalsContact O-CA 3.25Å; I623-N627 WeakPolarHBondContact O-CA 3.5Å; I623-N627 PolarHBondContact O-N 2.95Å; I623-H628 HydrophobicContact CD1-CB 4.35Å; I623-H628 PolarHBondContact N-O 3.44Å; I623-A630 HydrophobicContact CD1-CB 4.39Å; I623-F653 HydrophobicContact CD1-CZ 4.3Å; I623-F653 HydrophobicContact CG1-CE1 4.26Å; I623-F653 HydrophobicContact CG1-CZ 4.34Å; I623-F653 HydrophobicContact CG2-CE1 4.28Å; I623-F653 HydrophobicContact CG2-CZ 4.13Å; I623-Y656 HydrophobicContact CD1-CD1 3.74Å; I623-Y656 HydrophobicContact CD1-CD2 4.08Å; I623-Y656 HydrophobicContact CD1-CE1 3.93Å; I623-Y656 HydrophobicContact CD1-CE2 4.26Å; I623-Y656 HydrophobicContact CD1-CG 3.83Å; I623-L663 HydrophobicContact CD1-CD2 3.97Å; I623-L663 HydrophobicContact CG1-CD2 4.22Å
624	L	94.9	Very high	89.3	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.026	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-36.1	-171.2	-96	62.7	0	0	0	114	I611 R613 W650 F674 L686 P687 L695	I611-L624 HydrophobicContact CB-CD2 4.11Å; I611-L624 HydrophobicContact CG2-CD1 4.14Å; I611-L624 HydrophobicContact CG2-CD2 3.89Å; I611-L624 PolarHBondContact O-N 2.89Å; R613-L624 HydrophobicContact CB-CD1 4.28Å; L624-W650 HydrophobicContact CD1-CZ3 4.11Å; L624-W650 HydrophobicContact CD2-CZ3 3.91Å; L624-F674 HydrophobicContact CD2-CE1 4.45Å; L624-F674 HydrophobicContact CD2-CZ 4.32Å; L624-L686 HydrophobicContact CB-CD2 4.23Å; L624-L686 HydrophobicContact CD2-CD1 4.5Å; L624-P687 WeakPolarHBondContact O-CD 3.46Å; L624-P687 WeakPolarHBondContact O-CG 3.17Å; L624-L695 HydrophobicContact CD2-CD1 4.1Å
625	T	92	Very high	88.4	Confident	35 Å²	35	47 Å²	47	22%	0.215	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-29.1	-171.8	45.3	0	0	0	0	113.6	M609 I623 F682 L686	M609-T625 HydrophobicContact CB-CG2 4.44Å; M609-T625 WeakPolarHBondContact O-CG2 3.37Å; I623-T625 PolarHBondContact O-N 3.4Å; T625-F682 HydrophobicContact CG2-CE2 3.86Å; T625-F682 HydrophobicContact CG2-CZ 3.68Å; T625-L686 HydrophobicContact CG2-CD2 4.41Å
626	N	88.9	Confident	88.1	Confident	36 Å²	36	44.4 Å²	44.4	19%	0.193	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	1.2	-170.8	60.9	23.4	0	0	0	114.3	A360 I623 H628	A360-N626 PolarHBondContact O-ND2 2.84Å; I623-N626 WeakPolarHBondContact CB-OD1 3.33Å; I623-N626 WeakPolarHBondContact CG2-OD1 3.28Å; N626-H628 VanDerWaalsContact CG-CD2 3.47Å; N626-H628 PolarHBondContact O-N 3.01Å; N626-H628 VanDerWaalsContact O-N 3.12Å; N626-H628 WeakPolarHBondContact OD1-CB 3.48Å; N626-H628 PolarHBondContact OD1-N 3.18Å
627	N	89	Confident	87.6	Confident	62 Å²	62	39.3 Å²	39.3	33%	0.332	23%	0.231	S	C	.	.			trans	55.7	22.8	-178.2	-64.9	-34.5	0	0	0	114.3	L622 I623	L622-N627 HydrophobicContact CD1-CB 4.12Å; L622-N627 WeakPolarHBondContact CD1-O 3.4Å; I623-N627 VanDerWaalsContact O-CA 3.25Å; I623-N627 WeakPolarHBondContact O-CA 3.5Å; I623-N627 PolarHBondContact O-N 2.95Å
628	H	91.6	Very high	87.2	Confident	84 Å²	84	36.9 Å²	36.9	39%	0.389	20%	0.203	S	C	.	.			trans	-73.6	140.9	169.6	-81	-77.3	0	0	0	110.3	I623 N626	I623-H628 HydrophobicContact CD1-CB 4.35Å; I623-H628 PolarHBondContact N-O 3.44Å; N626-H628 VanDerWaalsContact CG-CD2 3.47Å; N626-H628 PolarHBondContact O-N 3.01Å; N626-H628 VanDerWaalsContact O-N 3.12Å; N626-H628 WeakPolarHBondContact OD1-CB 3.48Å; N626-H628 PolarHBondContact OD1-N 3.18Å
629	V	93.2	Very high	86.4	Confident	69 Å²	69	35 Å²	35	42%	0.418	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.1	176.9	179.5	0	0	0	0	108.9	N620 Y621 L622 N661	N620-V629 HydrophobicContact CB-CG1 3.82Å; Y621-V629 CarbonylContact O-C 3.58Å; Y621-V629 WeakPolarHBondContact O-CA 3.1Å; L622-V629 HydrophobicContact CD1-CG2 3.73Å; V629-N661 PolarHBondContact O-ND2 2.58Å; V629-N661 PolarHBondContact O-OD1 3.46Å
630	A	93.3	Very high	84.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	161.4	179.7	0	0	0	0	0	111.1	Y621 I623 Y656 L663	Y621-A630 PolarHBondContact N-O 3.32Å; Y621-A630 PolarHBondContact O-N 2.91Å; I623-A630 HydrophobicContact CD1-CB 4.39Å; A630-Y656 HydrophobicContact CB-CD2 4.08Å; A630-Y656 HydrophobicContact CB-CE2 3.59Å; A630-L663 HydrophobicContact CB-CD1 4.46Å; A630-L663 HydrophobicContact CB-CD2 3.83Å; A630-L663 HydrophobicContact CB-CG 3.8Å
631	Q	91.4	Very high	82.9	Confident	110 Å²	110	43.8 Å²	43.8	51%	0.514	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	156.5	175.2	-66.5	-173.8	-22.2	0	0	110.6	N620 N661 S662 L663	N620-Q631 PolarHBondContact OD1-NE2 3.21Å; N620-Q631 VanDerWaalsContact OD1-NE2 3.11Å; Q631-N661 PolarHBondContact N-O 3.11Å; Q631-S662 CarbonylContact O-C 3.57Å; Q631-S662 WeakPolarHBondContact O-CA 3.25Å; Q631-L663 PolarHBondContact O-N 3.39Å
632	L	90.1	Very high	80.7	Confident	22 Å²	22	50 Å²	50	12%	0.115	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	139.9	172.2	-52.9	-172.7	0	0	0	109.8	Y621 Y638 L647 L663 V666	Y621-L632 HydrophobicContact CD2-CD2 3.72Å; Y621-L632 HydrophobicContact CD2-CG 3.92Å; Y621-L632 HydrophobicContact CE1-CD2 4.42Å; Y621-L632 HydrophobicContact CE2-CD1 3.75Å; Y621-L632 HydrophobicContact CE2-CD2 3.59Å; Y621-L632 HydrophobicContact CE2-CG 3.47Å; Y621-L632 VanDerWaalsContact CE2-CG 3.47Å; Y621-L632 HydrophobicContact CG-CD2 4.22Å; L632-Y638 HydrophobicContact CD1-CG 4.44Å; L632-L647 HydrophobicContact CD1-CD2 4.21Å; L632-L663 HydrophobicContact CD2-CB 4.27Å; L632-L663 HydrophobicContact CD2-CD1 4.2Å; L632-V666 HydrophobicContact CD2-CB 4.47Å; L632-V666 HydrophobicContact CD2-CG1 4.05Å; L632-V666 HydrophobicContact CD2-CG2 4.08Å
633	Q	84.6	Confident	78.6	Confident	30 Å²	30	51.3 Å²	51.3	14%	0.14	28%	0.283	C	S	.	.			trans	-55.3	137.5	173.7	-169	-154.8	-17.7	0	0	110.1	F635 S636 L663 R664	Q633-F635 PolarHBondContact O-N 3.45Å; Q633-S636 VanDerWaalsContact O-CB 3.27Å; Q633-S636 WeakPolarHBondContact O-CB 3.47Å; Q633-S636 PolarHBondContact O-N 3.44Å; Q633-L663 WeakPolarHBondContact CB-O 3.21Å; Q633-L663 PolarHBondContact N-O 2.88Å; Q633-R664 HydrophobicContact CB-CG 4.25Å; Q633-R664 HydrophobicContact CG-CG 4.41Å
634	P	75.6	Confident	76.3	Confident	75 Å²	75	61.7 Å²	61.7	49%	0.487	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-25	-178.5	-29.9	35.3	0	0	0	115.9	V640	P634-V640 HydrophobicContact CB-CG2 4.44Å
635	F	72.7	Confident	74.3	Confident	57 Å²	57	68.6 Å²	68.6	25%	0.25	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.4	178	-72.1	-89.4	0	0	0	114.9	T512 F516 Q633	T512-F635 HydrophobicContact CG2-CZ 4.47Å; F516-F635 AromaticContact CD1-CD1 3.9Å; F516-F635 HydrophobicContact CD1-CD1 3.9Å; F516-F635 HydrophobicContact CD1-CE1 4.03Å; F516-F635 HydrophobicContact CE1-CB 4.38Å; F516-F635 AromaticContact CE1-CD1 3.17Å; F516-F635 HydrophobicContact CE1-CD1 3.17Å; F516-F635 HydrophobicContact CE1-CD2 4.43Å; F516-F635 AromaticContact CE1-CE1 3.37Å; F516-F635 HydrophobicContact CE1-CE1 3.37Å; F516-F635 AromaticContact CE1-CG 3.75Å; F516-F635 HydrophobicContact CE1-CG 3.75Å; F516-F635 HydrophobicContact CE1-CZ 4.11Å; F516-F635 HydrophobicContact CE2-CE1 4.06Å; F516-F635 HydrophobicContact CE2-CZ 4.25Å; F516-F635 AromaticContact CZ-CD1 3.61Å; F516-F635 HydrophobicContact CZ-CD1 3.61Å; F516-F635 HydrophobicContact CZ-CD2 4.29Å; F516-F635 AromaticContact CZ-CE1 3.37Å; F516-F635 HydrophobicContact CZ-CE1 3.37Å; F516-F635 HydrophobicContact CZ-CE2 4.1Å; F516-F635 HydrophobicContact CZ-CG 4.06Å; F516-F635 AromaticContact CZ-CZ 3.64Å; F516-F635 HydrophobicContact CZ-CZ 3.64Å; Q633-F635 PolarHBondContact O-N 3.45Å
636	S	80.6	Confident	73.2	Confident	6 Å²	6	69 Å²	69	4%	0.042	38%	0.376	C	S	.	.	S	Bend	trans	-57.1	148.2	172.1	179.7	0	0	0	0	110.6	D528 Q633 Y638 G639	D528-S636 PolarHBondContact OD1-OG 2.83Å; D528-S636 WeakPolarHBondContact OD2-CB 3.42Å; D528-S636 PolarHBondContact OD2-OG 3.07Å; Q633-S636 VanDerWaalsContact O-CB 3.27Å; Q633-S636 WeakPolarHBondContact O-CB 3.47Å; Q633-S636 PolarHBondContact O-N 3.44Å; S636-Y638 PolarHBondContact O-N 3.23Å; S636-Y638 PolarHBondContact OG-N 2.88Å; S636-G639 PolarHBondContact O-N 2.9Å
637	G	73.9	Confident	73	Confident	6 Å²	6	70.9 Å²	70.9	6%	0.062	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-24.6	168.2	0	0	0	0	0	112.7	D528 H643	D528-G637 PolarHBondContact OD1-N 2.8Å; G637-H643 PolarHBondContact O-CD2 2.84Å; G637-H643 PolarHBondContact O-NE2 2.97Å
638	Y	75.5	Confident	73.1	Confident	10 Å²	10	68.3 Å²	68.3	4%	0.039	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	2.4	176.9	-57.1	-60.1	0	0	0	114.8	P525 D526 G527 L632 S636 L647 P648 V666 E668	P525-Y638 PolarHBondContact O-OH 2.89Å; D526-Y638 PolarHBondContact O-OH 2.92Å; G527-Y638 VanDerWaalsContact CA-CZ 3.49Å; G527-Y638 WeakPolarHBondContact CA-OH 3.43Å; G527-Y638 PolarHBondContact N-OH 3.05Å; G527-Y638 VanDerWaalsContact N-OH 3.13Å; L632-Y638 HydrophobicContact CD1-CG 4.44Å; S636-Y638 PolarHBondContact O-N 3.23Å; S636-Y638 PolarHBondContact OG-N 2.88Å; Y638-L647 WeakPolarHBondContact O-CD2 3.5Å; Y638-P648 HydrophobicContact CD1-CG 4.09Å; Y638-P648 HydrophobicContact CD2-CG 4.21Å; Y638-P648 HydrophobicContact CE1-CG 4.08Å; Y638-P648 HydrophobicContact CE2-CG 4.17Å; Y638-P648 HydrophobicContact CG-CG 4.16Å; Y638-V666 HydrophobicContact CD2-CB 4.37Å; Y638-V666 HydrophobicContact CD2-CG1 4.34Å; Y638-V666 HydrophobicContact CE2-CG1 4.46Å; Y638-V666 WeakPolarHBondContact CE2-O 3.32Å; Y638-E668 WeakPolarHBondContact OH-CB 3.49Å; Y638-E668 PolarHBondContact OH-N 2.81Å; Y638-E668 VanDerWaalsContact OH-N 3.13Å
639	G	65.5	Low	73.2	Confident	21 Å²	21	68.7 Å²	68.7	22%	0.216	37%	0.374	C	S	.	.	S	Bend	trans	-69.3	-172.2	-174	0	0	0	0	0	116.9	S636 Q641	S636-G639 PolarHBondContact O-N 2.9Å; G639-Q641 PolarHBondContact O-N 3.26Å; G639-Q641 VanDerWaalsContact O-O 3.11Å
640	V	51.4	Low	73.3	Confident	132 Å²	132	65.9 Å²	65.9	80%	0.8	36%	0.356	S	S	*	.	S	Bend	trans	-45.8	1.9	-155.9	-165.9	0	0	0	0	120.1	P634	P634-V640 HydrophobicContact CB-CG2 4.44Å
641	Q	52.1	Low	73.4	Confident	123 Å²	123	65.9 Å²	65.9	58%	0.575	36%	0.356	S	S	*	.	S	Bend	trans	-104.3	140.3	168.3	-70.6	-164.1	-11.6	0	0	110.9	G639 H643	G639-Q641 PolarHBondContact O-N 3.26Å; G639-Q641 VanDerWaalsContact O-O 3.11Å; Q641-H643 PolarHBondContact O-N 3Å
642	P	46.6	Very low	73.7	Confident	129 Å²	129	60.7 Å²	60.7	84%	0.838	33%	0.332	S	S	*	.			trans	-59.2	104.9	179.8	24.7	-32.3	0	0	0	108.3	K644	P642-K644 PolarHBondContact O-N 3.2Å
643	H	51.1	Low	74.1	Confident	63 Å²	63	60 Å²	60	29%	0.292	33%	0.328	S	S	.	.			trans	-50.7	138.5	163.5	-110.8	-72.3	0	0	0	107.1	G637 Q641 L645 G646	G637-H643 PolarHBondContact O-CD2 2.84Å; G637-H643 PolarHBondContact O-NE2 2.97Å; Q641-H643 PolarHBondContact O-N 3Å; H643-L645 PolarHBondContact O-N 3.04Å; H643-G646 PolarHBondContact O-N 3.46Å
644	K	49	Very low	74.6	Confident	221 Å²	221	60.5 Å²	60.5	96%	0.961	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.5	169	-75.9	-179	177	177.4	0	112	P642	P642-K644 PolarHBondContact O-N 3.2Å
645	L	52.5	Low	75.4	Confident	150 Å²	150	59.6 Å²	59.6	79%	0.785	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-6.6	-175.2	-71.4	158.5	0	0	0	114.9	H643	H643-L645 PolarHBondContact O-N 3.04Å
646	G	68.6	Low	76.4	Confident	43 Å²	43	57.4 Å²	57.4	44%	0.443	31%	0.311	S	S	.	.			trans	80.4	176.1	-174.6	0	0	0	0	0	114.2	H643	H643-G646 PolarHBondContact O-N 3.46Å
647	L	84.4	Confident	76.8	Confident	75 Å²	75	57.5 Å²	57.5	39%	0.393	31%	0.312	S	S	.	.			trans	-79.8	138.9	172.9	-69.6	174.2	0	0	0	109.7	G619 L632 Y638	G619-L647 VanDerWaalsContact CA-CD1 3.5Å; L632-L647 HydrophobicContact CD1-CD2 4.21Å; Y638-L647 WeakPolarHBondContact O-CD2 3.5Å
648	P	90.9	Very high	77.5	Confident	9 Å²	9	59.4 Å²	59.4	6%	0.058	32%	0.321	C	S	.	.			trans	-68.1	133.1	177.7	27.2	-34	0	0	0	111.5	Y621 Y638 W650 V651 E668	Y621-P648 VanDerWaalsContact CE1-O 3.29Å; Y621-P648 WeakPolarHBondContact CE1-O 3.42Å; Y621-P648 PolarHBondContact OH-O 3.04Å; Y638-P648 HydrophobicContact CD1-CG 4.09Å; Y638-P648 HydrophobicContact CD2-CG 4.21Å; Y638-P648 HydrophobicContact CE1-CG 4.08Å; Y638-P648 HydrophobicContact CE2-CG 4.17Å; Y638-P648 HydrophobicContact CG-CG 4.16Å; P648-W650 PolarHBondContact O-N 3.06Å; P648-V651 HydrophobicContact CB-CG1 3.93Å; P648-V651 HydrophobicContact CG-CG1 3.47Å; P648-V651 VanDerWaalsContact CG-CG1 3.47Å; P648-E668 HydrophobicContact CB-CB 3.81Å; P648-E668 HydrophobicContact CB-CG 3.72Å; P648-E668 HydrophobicContact CG-CB 4.46Å
649	E	93.1	Very high	77.9	Confident	92 Å²	92	62.1 Å²	62.1	43%	0.43	34%	0.341	S	S	.	.	S	Bend	trans	-66.2	-38.9	179.8	-172.2	-170.1	160.3	0	0	111.8	R613 D614	R613-E649 CarbonylContact C-O 3.59Å; R613-E649 WeakPolarHBondContact CA-O 3.48Å; R613-E649 HydrophobicContact CG-CG 4.12Å; R613-E649 WeakPolarHBondContact CG-O 3.34Å; R613-E649 IonicContact CZ-OE1 3.28Å; R613-E649 VanDerWaalsContact CZ-OE1 3.28Å; R613-E649 IonicContact NE-OE1 3.68Å; R613-E649 PolarHBondContact NE-OE1 3.32Å; R613-E649 IonicContact NH2-OE1 3.66Å; R613-E649 PolarHBondContact NH2-OE1 3.37Å; D614-E649 PolarHBondContact N-O 3.05Å
650	W	96.1	Very high	78.9	Confident	9 Å²	9	66 Å²	66	3%	0.034	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130	-177	-66.7	81.5	0	0	0	110.9	I611 R613 L624 P648 I669 P671 I694 L695	I611-W650 HydrophobicContact CG2-CE3 4.16Å; R613-W650 HydrophobicContact CB-CD2 4.26Å; R613-W650 HydrophobicContact CB-CE3 4.16Å; R613-W650 HydrophobicContact CB-CZ3 4.3Å; R613-W650 VanDerWaalsContact CD-CZ2 3.43Å; R613-W650 HydrophobicContact CG-CD2 3.97Å; R613-W650 HydrophobicContact CG-CE3 4.34Å; R613-W650 HydrophobicContact CG-CG 4.44Å; R613-W650 HydrophobicContact CG-CH2 4.42Å; R613-W650 HydrophobicContact CG-CZ2 4.02Å; L624-W650 HydrophobicContact CD1-CZ3 4.11Å; L624-W650 HydrophobicContact CD2-CZ3 3.91Å; P648-W650 PolarHBondContact O-N 3.06Å; W650-I669 HydrophobicContact CB-CD1 4.44Å; W650-I669 HydrophobicContact CB-CG1 3.95Å; W650-I669 PolarHBondContact O-N 3.32Å; W650-P671 HydrophobicContact CD2-CB 4.23Å; W650-P671 HydrophobicContact CZ2-CB 4.23Å; W650-I694 HydrophobicContact CZ2-CG2 4.47Å; W650-L695 HydrophobicContact CH2-CD1 3.85Å; W650-L695 HydrophobicContact CH2-CD2 3.96Å; W650-L695 HydrophobicContact CH2-CG 3.8Å; W650-L695 HydrophobicContact CZ3-CD1 4Å; W650-L695 HydrophobicContact CZ3-CD2 4.28Å; W650-L695 HydrophobicContact CZ3-CG 4.33Å
651	V	96.6	Very high	80.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.8	-177	-62.4	0	0	0	0	112.9	I611 A612 Y621 P648 V666 S667	I611-V651 WeakPolarHBondContact CA-O 3.25Å; A612-V651 HydrophobicContact CB-CG2 4.08Å; A612-V651 PolarHBondContact N-O 3.08Å; A612-V651 WeakPolarHBondContact O-CG2 3.19Å; A612-V651 PolarHBondContact O-N 3.49Å; Y621-V651 HydrophobicContact CD1-CG2 3.62Å; Y621-V651 HydrophobicContact CE1-CB 4.38Å; Y621-V651 HydrophobicContact CE1-CG1 3.8Å; Y621-V651 HydrophobicContact CE1-CG2 3.66Å; P648-V651 HydrophobicContact CB-CG1 3.93Å; P648-V651 HydrophobicContact CG-CG1 3.47Å; P648-V651 VanDerWaalsContact CG-CG1 3.47Å; V651-V666 HydrophobicContact CB-CG1 3.37Å; V651-V666 HydrophobicContact CG1-CG1 3.59Å; V651-V666 HydrophobicContact CG2-CG1 3.67Å; V651-S667 WeakPolarHBondContact CA-O 3.46Å
652	V	97.6	Very high	82.6	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	139.3	160.3	64.4	0	0	0	0	108.8	F607 Q610 I611 V666 S667 I669	F607-V652 HydrophobicContact CB-CG2 3.61Å; Q610-V652 WeakPolarHBondContact O-CA 3.42Å; I611-V652 HydrophobicContact CD1-CB 3.78Å; I611-V652 HydrophobicContact CD1-CG2 3.86Å; V652-V666 WeakPolarHBondContact O-CA 3.28Å; V652-S667 PolarHBondContact N-O 2.95Å; V652-S667 PolarHBondContact O-N 3.33Å; V652-I669 HydrophobicContact CB-CG2 4.04Å; V652-I669 HydrophobicContact CG1-CG2 3.71Å
653	F	96.6	Very high	84.8	Confident	8 Å²	8	51 Å²	51	4%	0.035	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.7	178.4	64.7	-93.8	0	0	0	111.7	Q610 A612 I623 L663 T665 V666	Q610-F653 VanDerWaalsContact C-CD1 3.49Å; Q610-F653 HydrophobicContact CB-CD1 4.28Å; Q610-F653 HydrophobicContact CB-CD2 3.98Å; Q610-F653 HydrophobicContact CB-CE1 4.04Å; Q610-F653 HydrophobicContact CB-CE2 3.72Å; Q610-F653 HydrophobicContact CB-CG 4.25Å; Q610-F653 HydrophobicContact CB-CZ 3.76Å; Q610-F653 WeakPolarHBondContact CB-O 3.27Å; Q610-F653 HydrophobicContact CG-CE2 3.99Å; Q610-F653 HydrophobicContact CG-CZ 4.23Å; Q610-F653 PolarHBondContact NE2-O 3.48Å; Q610-F653 WeakPolarHBondContact O-CD1 3.19Å; Q610-F653 VanDerWaalsContact O-CE1 3.29Å; Q610-F653 WeakPolarHBondContact O-CE1 3.25Å; Q610-F653 PolarHBondContact O-N 3.43Å; A612-F653 HydrophobicContact CB-CD1 4.24Å; A612-F653 HydrophobicContact CB-CE1 4.15Å; I623-F653 HydrophobicContact CD1-CZ 4.3Å; I623-F653 HydrophobicContact CG1-CE1 4.26Å; I623-F653 HydrophobicContact CG1-CZ 4.34Å; I623-F653 HydrophobicContact CG2-CE1 4.28Å; I623-F653 HydrophobicContact CG2-CZ 4.13Å; F653-L663 HydrophobicContact CB-CB 4.28Å; F653-L663 HydrophobicContact CD1-CD1 4.16Å; F653-L663 HydrophobicContact CD1-CD2 3.97Å; F653-L663 HydrophobicContact CD2-CD2 4.06Å; F653-L663 HydrophobicContact CE1-CD2 4.06Å; F653-L663 HydrophobicContact CE2-CD2 4.15Å; F653-L663 HydrophobicContact CG-CB 4.5Å; F653-L663 HydrophobicContact CG-CD2 3.98Å; F653-L663 HydrophobicContact CZ-CD2 4.15Å; F653-T665 WeakPolarHBondContact CA-O 3.37Å; F653-V666 HydrophobicContact CB-CG2 4.06Å
654	N	95.4	Very high	86.8	Confident	40 Å²	40	50.3 Å²	50.3	21%	0.214	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-38.2	178.6	-177.1	76.9	0	0	0	113.2	L498 F607 Q610 R664 T665	L498-N654 HydrophobicContact CD1-CB 4.48Å; L498-N654 WeakPolarHBondContact CD1-OD1 3.44Å; L498-N654 HydrophobicContact CD2-CB 4.39Å; F607-N654 WeakPolarHBondContact CE1-OD1 3.23Å; Q610-N654 PolarHBondContact NE2-O 3Å; N654-R664 PolarHBondContact N-O 2.82Å; N654-R664 VanDerWaalsContact N-O 3.17Å; N654-T665 HydrophobicContact CB-CG2 4.42Å; N654-T665 PolarHBondContact N-O 3.23Å; N654-T665 VanDerWaalsContact N-O 3.11Å
655	E	92.5	Very high	88.9	Confident	56 Å²	56	41.1 Å²	41.1	26%	0.262	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.3	-177.6	-173.6	-166.2	-175.3	0	0	110.2	R664	E655-R664 HydrophobicContact CB-CB 4.27Å; E655-R664 PolarHBondContact N-O 3.13Å; E655-R664 PolarHBondContact O-N 2.61Å; E655-R664 IonicContact OE1-NH1 2.87Å; E655-R664 VanDerWaalsContact OE2-CD 3.22Å; E655-R664 WeakPolarHBondContact OE2-CD 3.5Å; E655-R664 IonicContact OE2-CZ 3.86Å; E655-R664 IonicContact OE2-NH1 3.13Å; E655-R664 PolarHBondContact OE2-NH1 2.72Å
656	Y	93.5	Very high	91	Very high	11 Å²	11	34 Å²	34	4%	0.043	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.4	164	173.1	-139	0	0	0	109.1	A362 I623 A630 L658 N661 L663	A362-Y656 HydrophobicContact CB-CD1 3.52Å; A362-Y656 HydrophobicContact CB-CE1 4.26Å; A362-Y656 HydrophobicContact CB-CG 4.17Å; A362-Y656 WeakPolarHBondContact CB-O 3.37Å; I623-Y656 HydrophobicContact CD1-CD1 3.74Å; I623-Y656 HydrophobicContact CD1-CD2 4.08Å; I623-Y656 HydrophobicContact CD1-CE1 3.93Å; I623-Y656 HydrophobicContact CD1-CE2 4.26Å; I623-Y656 HydrophobicContact CD1-CG 3.83Å; A630-Y656 HydrophobicContact CB-CD2 4.08Å; A630-Y656 HydrophobicContact CB-CE2 3.59Å; Y656-L658 HydrophobicContact CE1-CB 4.49Å; Y656-L658 HydrophobicContact CE1-CD1 3.69Å; Y656-L658 PolarHBondContact O-N 2.94Å; Y656-L658 WeakPolarHBondContact OH-CD1 3.49Å; Y656-N661 WeakPolarHBondContact CE2-OD1 3.33Å; Y656-N661 PolarHBondContact OH-OD1 3.27Å; Y656-L663 HydrophobicContact CD2-CD2 3.85Å; Y656-L663 HydrophobicContact CG-CD2 4.27Å
657	A	89.7	Confident	92.3	Very high	8 Å²	8	31.9 Å²	31.9	7%	0.066	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	99	175.9	0	0	0	0	0	109.6	S659 E660 N661 S662	A657-S659 VanDerWaalsContact C-N 3.31Å; A657-S659 PolarHBondContact O-N 2.68Å; A657-E660 HydrophobicContact CB-CB 4.35Å; A657-E660 PolarHBondContact O-N 3.11Å; A657-N661 WeakPolarHBondContact O-CA 3.42Å; A657-N661 PolarHBondContact O-N 3.18Å; A657-S662 PolarHBondContact N-O 3.44Å; A657-S662 PolarHBondContact O-N 3.3Å
658	L	88.3	Confident	92.8	Very high	47 Å²	47	32.3 Å²	32.3	25%	0.246	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-38.5	-172.3	-175.4	61	0	0	0	112.3	A360 A362 F363 Y656 N661	A360-L658 HydrophobicContact CB-CD2 4.36Å; A362-L658 HydrophobicContact CB-CB 4.38Å; F363-L658 WeakPolarHBondContact O-CB 3.38Å; F363-L658 PolarHBondContact O-N 3.32Å; Y656-L658 HydrophobicContact CE1-CB 4.49Å; Y656-L658 HydrophobicContact CE1-CD1 3.69Å; Y656-L658 PolarHBondContact O-N 2.94Å; Y656-L658 WeakPolarHBondContact OH-CD1 3.49Å; L658-N661 PolarHBondContact O-N 3.29Å
659	S	85.3	Confident	93	Very high	66 Å²	66	32.2 Å²	32.2	46%	0.462	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-34	-178.1	-49.4	0	0	0	0	113.8	S364 E365 A657 N661	S364-S659 WeakPolarHBondContact CA-OG 3.39Å; S364-S659 PolarHBondContact OG-OG 2.85Å; E365-S659 PolarHBondContact N-OG 2.84Å; A657-S659 VanDerWaalsContact C-N 3.31Å; A657-S659 PolarHBondContact O-N 2.68Å; S659-N661 VanDerWaalsContact C-N 3.35Å
660	E	85.1	Confident	93.1	Very high	102 Å²	102	29.9 Å²	29.9	48%	0.477	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-8.9	175	-67.6	177.4	-178	0	0	112	A657 S662 R664	A657-E660 HydrophobicContact CB-CB 4.35Å; A657-E660 PolarHBondContact O-N 3.11Å; E660-S662 WeakPolarHBondContact CB-OG 3.34Å; E660-S662 PolarHBondContact O-N 3.15Å; E660-S662 PolarHBondContact OE2-OG 2.93Å; E660-S662 VanDerWaalsContact OE2-OG 3.08Å; E660-R664 IonicContact OE1-NH2 2.68Å; E660-R664 PolarHBondContact OE1-NH2 2.8Å; E660-R664 IonicContact OE2-CZ 2.77Å; E660-R664 IonicContact OE2-NE 3.09Å; E660-R664 IonicContact OE2-NH2 3.84Å; E660-R664 PolarHBondContact OE2-NH2 2.75Å
661	N	90.4	Very high	93	Very high	64 Å²	64	30.3 Å²	30.3	34%	0.342	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	45.3	-167	-164.1	35.3	0	0	0	112.8	V629 Q631 Y656 A657 L658 S659	V629-N661 PolarHBondContact O-ND2 2.58Å; V629-N661 PolarHBondContact O-OD1 3.46Å; Q631-N661 PolarHBondContact N-O 3.11Å; Y656-N661 WeakPolarHBondContact CE2-OD1 3.33Å; Y656-N661 PolarHBondContact OH-OD1 3.27Å; A657-N661 WeakPolarHBondContact O-CA 3.42Å; A657-N661 PolarHBondContact O-N 3.18Å; L658-N661 PolarHBondContact O-N 3.29Å; S659-N661 VanDerWaalsContact C-N 3.35Å
662	S	91.4	Very high	92.9	Very high	7 Å²	7	34.3 Å²	34.3	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.2	-171.5	75.8	0	0	0	0	113.2	Q631 A657 E660	Q631-S662 CarbonylContact O-C 3.57Å; Q631-S662 WeakPolarHBondContact O-CA 3.25Å; A657-S662 PolarHBondContact N-O 3.44Å; A657-S662 PolarHBondContact O-N 3.3Å; E660-S662 WeakPolarHBondContact CB-OG 3.34Å; E660-S662 PolarHBondContact O-N 3.15Å; E660-S662 PolarHBondContact OE2-OG 2.93Å; E660-S662 VanDerWaalsContact OE2-OG 3.08Å
663	L	93.8	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.7	170	-56.8	-178.5	0	0	0	109.1	A612 Y621 I623 A630 Q631 L632 Q633 F653 Y656 V666	A612-L663 HydrophobicContact CB-CD1 3.69Å; Y621-L663 HydrophobicContact CG-CD1 4.31Å; I623-L663 HydrophobicContact CD1-CD2 3.97Å; I623-L663 HydrophobicContact CG1-CD2 4.22Å; A630-L663 HydrophobicContact CB-CD1 4.46Å; A630-L663 HydrophobicContact CB-CD2 3.83Å; A630-L663 HydrophobicContact CB-CG 3.8Å; Q631-L663 PolarHBondContact O-N 3.39Å; L632-L663 HydrophobicContact CD2-CB 4.27Å; L632-L663 HydrophobicContact CD2-CD1 4.2Å; Q633-L663 WeakPolarHBondContact CB-O 3.21Å; Q633-L663 PolarHBondContact N-O 2.88Å; F653-L663 HydrophobicContact CB-CB 4.28Å; F653-L663 HydrophobicContact CD1-CD1 4.16Å; F653-L663 HydrophobicContact CD1-CD2 3.97Å; F653-L663 HydrophobicContact CD2-CD2 4.06Å; F653-L663 HydrophobicContact CE1-CD2 4.06Å; F653-L663 HydrophobicContact CE2-CD2 4.15Å; F653-L663 HydrophobicContact CG-CB 4.5Å; F653-L663 HydrophobicContact CG-CD2 3.98Å; F653-L663 HydrophobicContact CZ-CD2 4.15Å; Y656-L663 HydrophobicContact CD2-CD2 3.85Å; Y656-L663 HydrophobicContact CG-CD2 4.27Å; L663-V666 HydrophobicContact CB-CG2 3.98Å
664	R	92.1	Very high	92.6	Very high	47 Å²	47	34.6 Å²	34.6	18%	0.177	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.3	-177.1	-64.2	174.4	175	178.7	-0.9	111	Q633 N654 E655 E660	Q633-R664 HydrophobicContact CB-CG 4.25Å; Q633-R664 HydrophobicContact CG-CG 4.41Å; N654-R664 PolarHBondContact N-O 2.82Å; N654-R664 VanDerWaalsContact N-O 3.17Å; E655-R664 HydrophobicContact CB-CB 4.27Å; E655-R664 PolarHBondContact N-O 3.13Å; E655-R664 PolarHBondContact O-N 2.61Å; E655-R664 IonicContact OE1-NH1 2.87Å; E655-R664 VanDerWaalsContact OE2-CD 3.22Å; E655-R664 WeakPolarHBondContact OE2-CD 3.5Å; E655-R664 IonicContact OE2-CZ 3.86Å; E655-R664 IonicContact OE2-NH1 3.13Å; E655-R664 PolarHBondContact OE2-NH1 2.72Å; E660-R664 IonicContact OE1-NH2 2.68Å; E660-R664 PolarHBondContact OE1-NH2 2.8Å; E660-R664 IonicContact OE2-CZ 2.77Å; E660-R664 IonicContact OE2-NE 3.09Å; E660-R664 IonicContact OE2-NH2 3.84Å; E660-R664 PolarHBondContact OE2-NH2 2.75Å
665	T	94	Very high	92.6	Very high	28 Å²	28	33.3 Å²	33.3	17%	0.172	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.5	89.2	-173.7	-49.2	0	0	0	0	111.6	L498 D528 H529 L532 F653 N654	L498-T665 HydrophobicContact CD2-CG2 3.95Å; D528-T665 HydrophobicContact CB-CG2 3.75Å; H529-T665 PolarHBondContact CE1-O 2.81Å; L532-T665 HydrophobicContact CD1-CG2 4.16Å; F653-T665 WeakPolarHBondContact CA-O 3.37Å; N654-T665 HydrophobicContact CB-CG2 4.42Å; N654-T665 PolarHBondContact N-O 3.23Å; N654-T665 VanDerWaalsContact N-O 3.11Å
666	V	95.3	Very high	92.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.7	-169.6	-174.7	0	0	0	0	110.6	G527 D528 L632 Y638 V651 V652 F653 L663	G527-V666 WeakPolarHBondContact CA-O 3Å; D528-V666 WeakPolarHBondContact CB-O 3.46Å; D528-V666 PolarHBondContact N-O 3.27Å; D528-V666 PolarHBondContact OD2-N 2.92Å; L632-V666 HydrophobicContact CD2-CB 4.47Å; L632-V666 HydrophobicContact CD2-CG1 4.05Å; L632-V666 HydrophobicContact CD2-CG2 4.08Å; Y638-V666 HydrophobicContact CD2-CB 4.37Å; Y638-V666 HydrophobicContact CD2-CG1 4.34Å; Y638-V666 HydrophobicContact CE2-CG1 4.46Å; Y638-V666 WeakPolarHBondContact CE2-O 3.32Å; V651-V666 HydrophobicContact CB-CG1 3.37Å; V651-V666 HydrophobicContact CG1-CG1 3.59Å; V651-V666 HydrophobicContact CG2-CG1 3.67Å; V652-V666 WeakPolarHBondContact O-CA 3.28Å; F653-V666 HydrophobicContact CB-CG2 4.06Å; L663-V666 HydrophobicContact CB-CG2 3.98Å
667	S	95.7	Very high	92.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	139.3	175	-82.2	0	0	0	0	112.1	D526 H529 V651 V652	D526-S667 VanDerWaalsContact O-CB 3.28Å; D526-S667 WeakPolarHBondContact O-CB 3.36Å; D526-S667 PolarHBondContact O-OG 3.49Å; H529-S667 WeakPolarHBondContact ND1-CB 3.41Å; H529-S667 PolarHBondContact ND1-OG 3.41Å; V651-S667 WeakPolarHBondContact CA-O 3.46Å; V652-S667 PolarHBondContact N-O 2.95Å; V652-S667 PolarHBondContact O-N 3.33Å
668	E	95	Very high	92.6	Very high	84 Å²	84	37.4 Å²	37.4	39%	0.393	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.6	175.9	-180	-174.5	-178.1	0	0	111.2	K600 Y638 P648	K600-E668 WeakPolarHBondContact CD-O 3.39Å; K600-E668 WeakPolarHBondContact CE-O 3.24Å; K600-E668 PolarHBondContact NZ-O 3.03Å; Y638-E668 WeakPolarHBondContact OH-CB 3.49Å; Y638-E668 PolarHBondContact OH-N 2.81Å; Y638-E668 VanDerWaalsContact OH-N 3.13Å; P648-E668 HydrophobicContact CB-CB 3.81Å; P648-E668 HydrophobicContact CB-CG 3.72Å; P648-E668 HydrophobicContact CG-CB 4.46Å
669	I	96	Very high	92.8	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.036	20%	0.198	C	C	.	.			trans	-126.2	167.3	172.2	58.7	155.6	0	0	0	110.4	L604 I611 W650 V652 F674	L604-I669 HydrophobicContact CD1-CG2 4.25Å; L604-I669 HydrophobicContact CD2-CD1 4.02Å; L604-I669 HydrophobicContact CD2-CG2 4.29Å; L604-I669 HydrophobicContact CG-CG2 4.33Å; I611-I669 HydrophobicContact CD1-CD1 3.85Å; I611-I669 HydrophobicContact CG2-CD1 3.99Å; W650-I669 HydrophobicContact CB-CD1 4.44Å; W650-I669 HydrophobicContact CB-CG1 3.95Å; W650-I669 PolarHBondContact O-N 3.32Å; V652-I669 HydrophobicContact CB-CG2 4.04Å; V652-I669 HydrophobicContact CG1-CG2 3.71Å; I669-F674 HydrophobicContact CD1-CB 4.29Å
670	S	94.8	Very high	93	Very high	42 Å²	42	38 Å²	38	29%	0.294	19%	0.194	S	C	.	.			trans	-103	147	168	74.8	0	0	0	0	111.1	Q672 M673 F674	S670-Q672 PolarHBondContact O-N 3.05Å; S670-Q672 PolarHBondContact OG-OE1 3.35Å; S670-M673 PolarHBondContact O-N 2.92Å; S670-M673 VanDerWaalsContact O-N 3.12Å; S670-M673 WeakPolarHBondContact OG-CB 3.38Å; S670-M673 PolarHBondContact OG-N 3.41Å; S670-F674 PolarHBondContact O-N 3.49Å
671	P	94.6	Very high	93.1	Very high	19 Å²	19	39.4 Å²	39.4	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-30	175.8	21.3	-30.9	0	0	0	112.7	W650 F674 N675 L695 M698	W650-P671 HydrophobicContact CD2-CB 4.23Å; W650-P671 HydrophobicContact CZ2-CB 4.23Å; P671-F674 PolarHBondContact O-N 3.16Å; P671-N675 PolarHBondContact O-N 3.01Å; P671-L695 HydrophobicContact CB-CD2 3.59Å; P671-M698 HydrophobicContact CB-CE 4.2Å; P671-M698 HydrophobicContact CB-SD 3.97Å; P671-M698 HydrophobicContact CG-CE 3.94Å; P671-M698 HydrophobicContact CG-SD 4.21Å
672	Q	93.7	Very high	93.2	Very high	83 Å²	83	36.8 Å²	36.8	39%	0.388	18%	0.182	S	C	.	.	H	α-helix	trans	-62.7	-46.1	173	-61.5	83.2	-1.1	0	0	111.3	S670 F674 N675 E676 M698	S670-Q672 PolarHBondContact O-N 3.05Å; S670-Q672 PolarHBondContact OG-OE1 3.35Å; Q672-F674 VanDerWaalsContact C-N 3.31Å; Q672-F674 PolarHBondContact O-N 3.39Å; Q672-N675 PolarHBondContact O-N 3.12Å; Q672-E676 WeakPolarHBondContact O-CG 3.44Å; Q672-E676 PolarHBondContact O-N 3.32Å; Q672-M698 HydrophobicContact CG-CE 3.58Å
673	M	94.1	Very high	93.2	Very high	15 Å²	15	36.6 Å²	36.6	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-66.4	-37.1	-179.5	-168.7	-176.8	-75.7	0	0	111.2	N597 K600 R601 L604 S670 E676 M677	N597-M673 HydrophobicContact CB-CE 4.09Å; K600-M673 HydrophobicContact CB-CE 4.2Å; K600-M673 HydrophobicContact CB-SD 3.45Å; K600-M673 WeakPolarHBondContact CB-SD 3.48Å; R601-M673 HydrophobicContact CG-CE 4.37Å; R601-M673 HydrophobicContact CG-CG 4.03Å; R601-M673 HydrophobicContact CG-SD 4Å; L604-M673 HydrophobicContact CD1-CB 4.03Å; L604-M673 HydrophobicContact CD1-CG 3.49Å; L604-M673 VanDerWaalsContact CD1-CG 3.49Å; L604-M673 HydrophobicContact CD1-SD 3.72Å; S670-M673 PolarHBondContact O-N 2.92Å; S670-M673 VanDerWaalsContact O-N 3.12Å; S670-M673 WeakPolarHBondContact OG-CB 3.38Å; S670-M673 PolarHBondContact OG-N 3.41Å; M673-E676 PolarHBondContact O-N 3.05Å; M673-M677 HydrophobicContact CG-CG 4.45Å; M673-M677 WeakPolarHBondContact O-CB 3.23Å; M673-M677 VanDerWaalsContact O-CG 3.29Å; M673-M677 WeakPolarHBondContact O-CG 3.34Å; M673-M677 PolarHBondContact O-N 3.46Å; M673-M677 VanDerWaalsContact O-N 3.11Å
674	F	95.2	Very high	93	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-49.7	171.6	173.4	-98.2	0	0	0	111.7	L604 F608 I611 L624 I669 S670 P671 Q672 E676 M677 A678 F682 F683 L686 L695	L604-F674 HydrophobicContact CD2-CD2 4.3Å; F608-F674 HydrophobicContact CB-CE2 4.12Å; F608-F674 WeakPolarHBondContact O-CE2 3.48Å; I611-F674 HydrophobicContact CB-CE2 4.46Å; I611-F674 HydrophobicContact CD1-CD2 4.28Å; I611-F674 HydrophobicContact CG1-CD2 3.7Å; I611-F674 HydrophobicContact CG1-CE2 3.61Å; L624-F674 HydrophobicContact CD2-CE1 4.45Å; L624-F674 HydrophobicContact CD2-CZ 4.32Å; I669-F674 HydrophobicContact CD1-CB 4.29Å; S670-F674 PolarHBondContact O-N 3.49Å; P671-F674 PolarHBondContact O-N 3.16Å; Q672-F674 VanDerWaalsContact C-N 3.31Å; Q672-F674 PolarHBondContact O-N 3.39Å; F674-E676 VanDerWaalsContact C-N 3.28Å; F674-E676 PolarHBondContact O-N 3.02Å; F674-M677 PolarHBondContact O-N 3.23Å; F674-M677 VanDerWaalsContact O-N 3.14Å; F674-A678 HydrophobicContact CD1-CB 4.45Å; F674-A678 HydrophobicContact CD2-CB 4.17Å; F674-A678 HydrophobicContact CE1-CB 4.06Å; F674-A678 HydrophobicContact CE2-CB 3.76Å; F674-A678 HydrophobicContact CZ-CB 3.71Å; F674-A678 WeakPolarHBondContact O-CB 3.35Å; F674-A678 PolarHBondContact O-N 2.85Å; F674-F682 HydrophobicContact CE2-CE1 4.35Å; F674-F682 AromaticContact CZ-CE1 3.98Å; F674-F682 HydrophobicContact CZ-CE1 3.98Å; F674-F683 HydrophobicContact CE1-CD2 4.38Å; F674-L686 HydrophobicContact CZ-CD1 4.41Å; F674-L695 HydrophobicContact CD1-CD1 3.83Å; F674-L695 HydrophobicContact CD1-CD2 3.97Å; F674-L695 HydrophobicContact CE1-CD1 3.67Å
675	N	93.3	Very high	92.9	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.07	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-33.2	177.9	-82.1	-9	0	0	0	113.5	P671 Q672 L695 L699	P671-N675 PolarHBondContact O-N 3.01Å; Q672-N675 PolarHBondContact O-N 3.12Å; N675-L695 PolarHBondContact ND2-O 3.03Å; N675-L695 WeakPolarHBondContact OD1-CD2 3.43Å; N675-L699 HydrophobicContact CB-CD2 3.88Å; N675-L699 HydrophobicContact CB-CG 4.39Å
676	E	91.3	Very high	92.9	Very high	112 Å²	112	43.1 Å²	43.1	52%	0.523	21%	0.209	S	C	.	.	H	α-helix	trans	-69.3	-33.4	175.9	-74.5	176.9	-179.3	0	0	112.5	Q672 M673 F674	Q672-E676 WeakPolarHBondContact O-CG 3.44Å; Q672-E676 PolarHBondContact O-N 3.32Å; M673-E676 PolarHBondContact O-N 3.05Å; F674-E676 VanDerWaalsContact C-N 3.28Å; F674-E676 PolarHBondContact O-N 3.02Å
677	M	94.2	Very high	92.7	Very high	40 Å²	40	44.7 Å²	44.7	20%	0.197	22%	0.219	C	C	.	.	H	α-helix	trans	-101.2	-30.5	-170.8	-66.5	-53	-52.6	0	0	114.3	F485 R601 L604 A605 M673 F674	F485-M677 HydrophobicContact CE2-CE 3.78Å; F485-M677 HydrophobicContact CE2-SD 4.49Å; F485-M677 HydrophobicContact CZ-CE 3.58Å; F485-M677 HydrophobicContact CZ-SD 3.86Å; R601-M677 HydrophobicContact CB-CE 4.42Å; R601-M677 HydrophobicContact CB-CG 4.35Å; R601-M677 HydrophobicContact CB-SD 3.96Å; R601-M677 HydrophobicContact CG-CG 4.26Å; R601-M677 HydrophobicContact CG-SD 4.01Å; R601-M677 WeakPolarHBondContact O-CE 3.32Å; L604-M677 HydrophobicContact CB-CB 3.79Å; L604-M677 HydrophobicContact CB-CG 3.99Å; L604-M677 HydrophobicContact CD1-CG 4.35Å; A605-M677 HydrophobicContact CB-CE 3.83Å; M673-M677 HydrophobicContact CG-CG 4.45Å; M673-M677 WeakPolarHBondContact O-CB 3.23Å; M673-M677 VanDerWaalsContact O-CG 3.29Å; M673-M677 WeakPolarHBondContact O-CG 3.34Å; M673-M677 PolarHBondContact O-N 3.46Å; M673-M677 VanDerWaalsContact O-N 3.11Å; F674-M677 PolarHBondContact O-N 3.23Å; F674-M677 VanDerWaalsContact O-N 3.14Å
678	A	92.2	Very high	92.6	Very high	9 Å²	9	50.3 Å²	50.3	7%	0.074	26%	0.255	C	S	.	.	S	Bend	trans	-72.2	132.6	-176.6	0	0	0	0	0	110.7	F608 F674 M680 F682	F608-A678 HydrophobicContact CB-CB 4.23Å; F674-A678 HydrophobicContact CD1-CB 4.45Å; F674-A678 HydrophobicContact CD2-CB 4.17Å; F674-A678 HydrophobicContact CE1-CB 4.06Å; F674-A678 HydrophobicContact CE2-CB 3.76Å; F674-A678 HydrophobicContact CZ-CB 3.71Å; F674-A678 WeakPolarHBondContact O-CB 3.35Å; F674-A678 PolarHBondContact O-N 2.85Å; A678-M680 PolarHBondContact O-N 2.59Å; A678-F682 HydrophobicContact CB-CD1 4.41Å
679	P	91.4	Very high	92.5	Very high	46 Å²	46	47.2 Å²	47.2	30%	0.299	24%	0.243	S	C	.	.			trans	-57	134.8	173.9	-24	33.2	0	0	0	111.4	F608 Y681 F682 F683	F608-P679 HydrophobicContact CE1-CG 4.1Å; F608-P679 HydrophobicContact CE2-CG 4.12Å; F608-P679 HydrophobicContact CZ-CG 3.86Å; P679-Y681 PolarHBondContact O-N 3.27Å; P679-F682 HydrophobicContact CB-CB 4.26Å; P679-F682 WeakPolarHBondContact O-CB 3.27Å; P679-F682 PolarHBondContact O-N 2.89Å; P679-F682 VanDerWaalsContact O-N 3.1Å; P679-F683 PolarHBondContact O-N 2.87Å
680	M	89.4	Confident	92.3	Very high	79 Å²	79	52 Å²	52	39%	0.389	27%	0.265	S	S	.	.	H	α-helix	trans	-58.2	-37.6	-178.9	-74.1	-59.3	-57.3	0	0	112.4	A678 F683 Y684 L699	A678-M680 PolarHBondContact O-N 2.59Å; M680-F683 WeakPolarHBondContact O-CB 3.35Å; M680-F683 PolarHBondContact O-N 3.44Å; M680-Y684 HydrophobicContact CB-CE2 4.24Å; M680-Y684 HydrophobicContact CE-CE1 4.41Å; M680-Y684 HydrophobicContact CE-CE2 3.68Å; M680-Y684 VanDerWaalsContact CE-OH 3.32Å; M680-Y684 WeakPolarHBondContact CE-OH 3.45Å; M680-Y684 WeakPolarHBondContact O-CD2 3.44Å; M680-Y684 PolarHBondContact O-N 2.87Å; M680-L699 HydrophobicContact CE-CD1 4.43Å
681	Y	88.4	Confident	92.2	Very high	132 Å²	132	50 Å²	50	52%	0.518	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-45.3	177	178.6	-120.9	0	0	0	112	D448 Y449 P679 F683 Y684 N685	D448-Y681 WeakPolarHBondContact OD2-CE1 3.48Å; Y449-Y681 AromaticContact CD1-CD1 3.82Å; Y449-Y681 HydrophobicContact CD1-CD1 3.82Å; Y449-Y681 HydrophobicContact CD1-CE1 4.17Å; Y449-Y681 AromaticContact CE1-CD1 3.47Å; Y449-Y681 HydrophobicContact CE1-CD1 3.47Å; Y449-Y681 VanDerWaalsContact CE1-CD1 3.47Å; Y449-Y681 AromaticContact CE1-CE1 3.56Å; Y449-Y681 HydrophobicContact CE1-CE1 3.56Å; Y449-Y681 HydrophobicContact CE1-CG 4.39Å; P679-Y681 PolarHBondContact O-N 3.27Å; Y681-F683 PolarHBondContact O-N 2.83Å; Y681-Y684 PolarHBondContact O-N 3.01Å; Y681-N685 WeakPolarHBondContact CE2-ND2 3.17Å; Y681-N685 VanDerWaalsContact CZ-ND2 3.31Å; Y681-N685 PolarHBondContact O-N 2.9Å; Y681-N685 PolarHBondContact O-ND2 3.48Å
682	F	91.4	Very high	92.1	Very high	9 Å²	9	50.9 Å²	50.9	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-46.1	172.5	170.5	-102.8	0	0	0	111.8	Y449 F608 M609 T625 F674 A678 P679 Y684 N685 L686	Y449-F682 HydrophobicContact CD1-CB 3.75Å; Y449-F682 HydrophobicContact CD1-CD2 4.33Å; Y449-F682 AromaticContact CD2-CD2 3.97Å; Y449-F682 HydrophobicContact CD2-CD2 3.97Å; Y449-F682 HydrophobicContact CE1-CB 3.88Å; Y449-F682 HydrophobicContact CE1-CD2 4.25Å; Y449-F682 AromaticContact CE2-CD2 3.89Å; Y449-F682 HydrophobicContact CE2-CD2 3.89Å; Y449-F682 HydrophobicContact CG-CB 4.27Å; Y449-F682 HydrophobicContact CG-CD2 4.22Å; F608-F682 HydrophobicContact CD2-CB 4.43Å; F608-F682 AromaticContact CD2-CD1 3.56Å; F608-F682 HydrophobicContact CD2-CD1 3.56Å; F608-F682 HydrophobicContact CD2-CD2 4.24Å; F608-F682 AromaticContact CD2-CE1 3.77Å; F608-F682 HydrophobicContact CD2-CE1 3.77Å; F608-F682 HydrophobicContact CD2-CE2 4.44Å; F608-F682 AromaticContact CD2-CG 3.81Å; F608-F682 HydrophobicContact CD2-CG 3.81Å; F608-F682 HydrophobicContact CD2-CZ 4.22Å; F608-F682 HydrophobicContact CE2-CB 4.09Å; F608-F682 HydrophobicContact CE2-CD1 4.04Å; F608-F682 HydrophobicContact CE2-CD2 4.05Å; F608-F682 AromaticContact CE2-CG 3.78Å; F608-F682 HydrophobicContact CE2-CG 3.78Å; F608-F682 WeakPolarHBondContact O-CE1 3.44Å; M609-F682 HydrophobicContact CB-CE2 4.36Å; M609-F682 HydrophobicContact CB-CZ 4.4Å; M609-F682 HydrophobicContact CG-CD2 4.14Å; M609-F682 HydrophobicContact CG-CE2 3.65Å; M609-F682 HydrophobicContact CG-CZ 4.03Å; T625-F682 HydrophobicContact CG2-CE2 3.86Å; T625-F682 HydrophobicContact CG2-CZ 3.68Å; F674-F682 HydrophobicContact CE2-CE1 4.35Å; F674-F682 AromaticContact CZ-CE1 3.98Å; F674-F682 HydrophobicContact CZ-CE1 3.98Å; A678-F682 HydrophobicContact CB-CD1 4.41Å; P679-F682 HydrophobicContact CB-CB 4.26Å; P679-F682 WeakPolarHBondContact O-CB 3.27Å; P679-F682 PolarHBondContact O-N 2.89Å; P679-F682 VanDerWaalsContact O-N 3.1Å; F682-Y684 VanDerWaalsContact C-N 3.31Å; F682-Y684 PolarHBondContact O-N 3.46Å; F682-N685 PolarHBondContact O-N 2.8Å; F682-L686 HydrophobicContact CE1-CD2 3.9Å; F682-L686 HydrophobicContact CE1-CG 4.31Å; F682-L686 HydrophobicContact CE2-CD2 4.28Å; F682-L686 HydrophobicContact CZ-CD2 3.64Å; F682-L686 HydrophobicContact CZ-CG 4.44Å; F682-L686 PolarHBondContact O-N 3.24Å
683	F	90.6	Very high	92.1	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.013	26%	0.261	C	S	.	.	H	α-helix	trans	-56.9	-43.4	179.6	177.6	-93.2	0	0	0	112.5	F674 P679 M680 Y681 N685 L686 K692 L695 Q696 L699	F674-F683 HydrophobicContact CE1-CD2 4.38Å; P679-F683 PolarHBondContact O-N 2.87Å; M680-F683 WeakPolarHBondContact O-CB 3.35Å; M680-F683 PolarHBondContact O-N 3.44Å; Y681-F683 PolarHBondContact O-N 2.83Å; F683-N685 VanDerWaalsContact C-N 3.27Å; F683-N685 PolarHBondContact O-N 2.77Å; F683-L686 HydrophobicContact CD2-CD1 3.97Å; F683-L686 HydrophobicContact CE2-CD1 4.36Å; F683-L686 WeakPolarHBondContact O-CB 3.44Å; F683-L686 PolarHBondContact O-N 2.83Å; F683-K692 HydrophobicContact CZ-CG 4.34Å; F683-K692 WeakPolarHBondContact O-CE 3.36Å; F683-L695 HydrophobicContact CE2-CB 3.57Å; F683-L695 HydrophobicContact CE2-CD1 4.17Å; F683-L695 HydrophobicContact CZ-CB 4.07Å; F683-Q696 HydrophobicContact CZ-CB 4.25Å; F683-L699 HydrophobicContact CD1-CD1 3.77Å; F683-L699 HydrophobicContact CD2-CD1 4.23Å; F683-L699 HydrophobicContact CE1-CD1 3.41Å; F683-L699 VanDerWaalsContact CE1-CD1 3.41Å; F683-L699 HydrophobicContact CE2-CD1 3.93Å; F683-L699 HydrophobicContact CG-CD1 4.17Å; F683-L699 HydrophobicContact CZ-CD1 3.51Å
684	Y	90.1	Very high	92.1	Very high	128 Å²	128	53.7 Å²	53.7	50%	0.502	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-32.7	178	-71.2	-55.9	0	0	0	112.8	M680 Y681 F682 L686 K692	M680-Y684 HydrophobicContact CB-CE2 4.24Å; M680-Y684 HydrophobicContact CE-CE1 4.41Å; M680-Y684 HydrophobicContact CE-CE2 3.68Å; M680-Y684 VanDerWaalsContact CE-OH 3.32Å; M680-Y684 WeakPolarHBondContact CE-OH 3.45Å; M680-Y684 WeakPolarHBondContact O-CD2 3.44Å; M680-Y684 PolarHBondContact O-N 2.87Å; Y681-Y684 PolarHBondContact O-N 3.01Å; F682-Y684 VanDerWaalsContact C-N 3.31Å; F682-Y684 PolarHBondContact O-N 3.46Å; Y684-L686 VanDerWaalsContact C-N 3.32Å; Y684-L686 PolarHBondContact O-N 2.91Å; Y684-K692 PolarHBondContact O-NZ 3.36Å
685	N	91.1	Very high	92	Very high	77 Å²	77	53.7 Å²	53.7	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-80.4	-7	179.5	-67.5	-19.2	0	0	0	114.1	Y449 Y681 F682 F683	Y449-N685 WeakPolarHBondContact OH-CB 3.33Å; Y449-N685 PolarHBondContact OH-ND2 2.99Å; Y681-N685 WeakPolarHBondContact CE2-ND2 3.17Å; Y681-N685 VanDerWaalsContact CZ-ND2 3.31Å; Y681-N685 PolarHBondContact O-N 2.9Å; Y681-N685 PolarHBondContact O-ND2 3.48Å; F682-N685 PolarHBondContact O-N 2.8Å; F683-N685 VanDerWaalsContact C-N 3.27Å; F683-N685 PolarHBondContact O-N 2.77Å
686	L	92.9	Very high	91.9	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.042	28%	0.279	C	S	.	.	S	Bend	trans	-57.7	141.3	174.2	-73.5	175.2	0	0	0	111.8	L624 T625 F674 F682 F683 Y684 K692	L624-L686 HydrophobicContact CB-CD2 4.23Å; L624-L686 HydrophobicContact CD2-CD1 4.5Å; T625-L686 HydrophobicContact CG2-CD2 4.41Å; F674-L686 HydrophobicContact CZ-CD1 4.41Å; F682-L686 HydrophobicContact CE1-CD2 3.9Å; F682-L686 HydrophobicContact CE1-CG 4.31Å; F682-L686 HydrophobicContact CE2-CD2 4.28Å; F682-L686 HydrophobicContact CZ-CD2 3.64Å; F682-L686 HydrophobicContact CZ-CG 4.44Å; F682-L686 PolarHBondContact O-N 3.24Å; F683-L686 HydrophobicContact CD2-CD1 3.97Å; F683-L686 HydrophobicContact CE2-CD1 4.36Å; F683-L686 WeakPolarHBondContact O-CB 3.44Å; F683-L686 PolarHBondContact O-N 2.83Å; Y684-L686 VanDerWaalsContact C-N 3.32Å; Y684-L686 PolarHBondContact O-N 2.91Å; L686-K692 HydrophobicContact CB-CD 3.99Å; L686-K692 HydrophobicContact CB-CG 4.49Å; L686-K692 PolarHBondContact O-NZ 3.4Å
687	P	92.3	Very high	92	Very high	33 Å²	33	55.1 Å²	55.1	21%	0.214	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62.7	148.3	175.1	27.5	-35.1	0	0	0	111.3	L624 S689	L624-P687 WeakPolarHBondContact O-CD 3.46Å; L624-P687 WeakPolarHBondContact O-CG 3.17Å; P687-S689 PolarHBondContact O-N 2.97Å
688	P	92.4	Very high	91.8	Very high	117 Å²	117	55.1 Å²	55.1	76%	0.76	28%	0.283	S	S	*	.	S	Bend	trans	-56.6	126.6	174.2	-23.3	33.1	0	0	0	111.3
689	S	92.4	Very high	91.6	Very high	19 Å²	19	55.5 Å²	55.5	13%	0.133	28%	0.284	C	S	.	.			trans	-160.8	159.4	-179.6	60.7	0	0	0	0	110.2	P687 S691 K692 D693	P687-S689 PolarHBondContact O-N 2.97Å; S689-S691 PolarHBondContact O-N 3.35Å; S689-K692 WeakPolarHBondContact O-CB 3.49Å; S689-K692 PolarHBondContact O-N 3.17Å; S689-K692 PolarHBondContact OG-N 3.09Å; S689-K692 VanDerWaalsContact OG-N 3.1Å; S689-D693 PolarHBondContact O-N 3.09Å
690	E	92.3	Very high	91.5	Very high	107 Å²	107	56.9 Å²	56.9	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-56.2	-37.8	171.9	-170.7	-162.7	128.8	0	0	111.3	R613 K692 D693 I694	R613-E690 IonicContact CZ-OE1 3.07Å; R613-E690 IonicContact NH1-OE1 3.66Å; R613-E690 PolarHBondContact NH1-OE1 3.1Å; R613-E690 IonicContact NH2-OE1 3.63Å; R613-E690 PolarHBondContact NH2-OE1 3.29Å; E690-K692 PolarHBondContact O-N 3.27Å; E690-D693 PolarHBondContact O-N 2.96Å; E690-I694 HydrophobicContact CG-CD1 4.24Å; E690-I694 WeakPolarHBondContact O-CG1 3.43Å; E690-I694 PolarHBondContact O-N 3.24Å
691	S	93	Very high	91.3	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.007	29%	0.294	C	S	.	.	H	α-helix	trans	-58.2	-45.7	174.6	-55.4	0	0	0	0	111.6	R613 S689 I694 L695	R613-S691 WeakPolarHBondContact CD-OG 3.43Å; S689-S691 PolarHBondContact O-N 3.35Å; S691-I694 PolarHBondContact O-N 2.95Å; S691-L695 VanDerWaalsContact O-CG 3.23Å; S691-L695 WeakPolarHBondContact O-CG 3.37Å; S691-L695 PolarHBondContact O-N 3.02Å; S691-L695 VanDerWaalsContact O-N 3.1Å
692	K	93.6	Very high	90.8	Very high	37 Å²	37	54.8 Å²	54.8	16%	0.161	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-41.3	176.4	-171.9	177.3	-173.4	174.7	0	111.7	F683 Y684 L686 S689 E690 L695 Q696	F683-K692 HydrophobicContact CZ-CG 4.34Å; F683-K692 WeakPolarHBondContact O-CE 3.36Å; Y684-K692 PolarHBondContact O-NZ 3.36Å; L686-K692 HydrophobicContact CB-CD 3.99Å; L686-K692 HydrophobicContact CB-CG 4.49Å; L686-K692 PolarHBondContact O-NZ 3.4Å; S689-K692 WeakPolarHBondContact O-CB 3.49Å; S689-K692 PolarHBondContact O-N 3.17Å; S689-K692 PolarHBondContact OG-N 3.09Å; S689-K692 VanDerWaalsContact OG-N 3.1Å; E690-K692 PolarHBondContact O-N 3.27Å; K692-L695 PolarHBondContact O-N 3.44Å; K692-Q696 WeakPolarHBondContact O-CB 3.48Å; K692-Q696 PolarHBondContact O-N 2.94Å
693	D	93.8	Very high	90.2	Very high	103 Å²	103	59.9 Å²	59.9	55%	0.551	31%	0.305	S	S	*	.	H	α-helix	trans	-62.7	-43.5	178.7	-65.8	-25.7	0	0	0	111.6	S689 E690 L695 Q696 V697	S689-D693 PolarHBondContact O-N 3.09Å; E690-D693 PolarHBondContact O-N 2.96Å; D693-L695 PolarHBondContact O-N 2.9Å; D693-Q696 PolarHBondContact O-N 3.15Å; D693-V697 WeakPolarHBondContact O-CG2 3.44Å; D693-V697 PolarHBondContact O-N 2.77Å
694	I	92.4	Very high	89.5	Confident	54 Å²	54	63.1 Å²	63.1	28%	0.277	33%	0.329	S	S	.	.	H	α-helix	trans	-59.5	-48.4	175.4	-70.1	166.5	0	0	0	110.4	R613 W650 E690 S691 Q696 V697 M698	R613-I694 VanDerWaalsContact NH1-CD1 3.32Å; R613-I694 VanDerWaalsContact NH2-CD1 3.26Å; W650-I694 HydrophobicContact CZ2-CG2 4.47Å; E690-I694 HydrophobicContact CG-CD1 4.24Å; E690-I694 WeakPolarHBondContact O-CG1 3.43Å; E690-I694 PolarHBondContact O-N 3.24Å; S691-I694 PolarHBondContact O-N 2.95Å; I694-Q696 VanDerWaalsContact C-N 3.35Å; I694-Q696 PolarHBondContact O-N 3.3Å; I694-V697 PolarHBondContact O-N 3.29Å; I694-M698 HydrophobicContact CG2-SD 4.06Å; I694-M698 VanDerWaalsContact O-CG 3.25Å; I694-M698 WeakPolarHBondContact O-CG 3.31Å; I694-M698 PolarHBondContact O-N 3.3Å
695	L	93.3	Very high	88.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-38.7	-179.8	-66.3	169.4	0	0	0	112.1	L624 W650 P671 F674 N675 F683 S691 K692 D693 M698 L699	L624-L695 HydrophobicContact CD2-CD1 4.1Å; W650-L695 HydrophobicContact CH2-CD1 3.85Å; W650-L695 HydrophobicContact CH2-CD2 3.96Å; W650-L695 HydrophobicContact CH2-CG 3.8Å; W650-L695 HydrophobicContact CZ3-CD1 4Å; W650-L695 HydrophobicContact CZ3-CD2 4.28Å; W650-L695 HydrophobicContact CZ3-CG 4.33Å; P671-L695 HydrophobicContact CB-CD2 3.59Å; F674-L695 HydrophobicContact CD1-CD1 3.83Å; F674-L695 HydrophobicContact CD1-CD2 3.97Å; F674-L695 HydrophobicContact CE1-CD1 3.67Å; N675-L695 PolarHBondContact ND2-O 3.03Å; N675-L695 WeakPolarHBondContact OD1-CD2 3.43Å; F683-L695 HydrophobicContact CE2-CB 3.57Å; F683-L695 HydrophobicContact CE2-CD1 4.17Å; F683-L695 HydrophobicContact CZ-CB 4.07Å; S691-L695 VanDerWaalsContact O-CG 3.23Å; S691-L695 WeakPolarHBondContact O-CG 3.37Å; S691-L695 PolarHBondContact O-N 3.02Å; S691-L695 VanDerWaalsContact O-N 3.1Å; K692-L695 PolarHBondContact O-N 3.44Å; D693-L695 PolarHBondContact O-N 2.9Å; L695-M698 WeakPolarHBondContact O-CB 3.38Å; L695-M698 PolarHBondContact O-N 2.99Å; L695-L699 WeakPolarHBondContact O-CG 3.11Å; L695-L699 PolarHBondContact O-N 3.2Å
696	Q	92.8	Very high	87.8	Confident	55 Å²	55	68.5 Å²	68.5	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-45.8	176.5	-175.7	68	63.9	0	0	111.6	F683 K692 D693 I694 M698 L699 D700	F683-Q696 HydrophobicContact CZ-CB 4.25Å; K692-Q696 WeakPolarHBondContact O-CB 3.48Å; K692-Q696 PolarHBondContact O-N 2.94Å; D693-Q696 PolarHBondContact O-N 3.15Å; I694-Q696 VanDerWaalsContact C-N 3.35Å; I694-Q696 PolarHBondContact O-N 3.3Å; Q696-M698 PolarHBondContact O-N 3.09Å; Q696-L699 PolarHBondContact O-N 2.74Å; Q696-L699 VanDerWaalsContact O-N 3.15Å; Q696-D700 PolarHBondContact NE2-OD1 3.07Å; Q696-D700 VanDerWaalsContact O-CG 3.26Å; Q696-D700 PolarHBondContact O-N 2.79Å
697	V	93.1	Very high	86.3	Confident	100 Å²	100	71.8 Å²	71.8	61%	0.606	37%	0.365	S	S	*	.	H	α-helix	trans	-58.6	-36.3	177.2	169.6	0	0	0	0	111.3	D693 I694 F701	D693-V697 WeakPolarHBondContact O-CG2 3.44Å; D693-V697 PolarHBondContact O-N 2.77Å; I694-V697 PolarHBondContact O-N 3.29Å; V697-F701 WeakPolarHBondContact O-CB 3.34Å; V697-F701 PolarHBondContact O-N 2.82Å
698	M	89.7	Confident	84.8	Confident	40 Å²	40	74 Å²	74	20%	0.197	38%	0.378	C	S	.	.	H	α-helix	trans	-69.8	-43	177.7	-63	170.5	95.4	0	0	111.8	P671 Q672 I694 L695 Q696 F701 E702	P671-M698 HydrophobicContact CB-CE 4.2Å; P671-M698 HydrophobicContact CB-SD 3.97Å; P671-M698 HydrophobicContact CG-CE 3.94Å; P671-M698 HydrophobicContact CG-SD 4.21Å; Q672-M698 HydrophobicContact CG-CE 3.58Å; I694-M698 HydrophobicContact CG2-SD 4.06Å; I694-M698 VanDerWaalsContact O-CG 3.25Å; I694-M698 WeakPolarHBondContact O-CG 3.31Å; I694-M698 PolarHBondContact O-N 3.3Å; L695-M698 WeakPolarHBondContact O-CB 3.38Å; L695-M698 PolarHBondContact O-N 2.99Å; Q696-M698 PolarHBondContact O-N 3.09Å; M698-F701 PolarHBondContact O-N 2.94Å; M698-E702 PolarHBondContact O-N 3.37Å; M698-E702 VanDerWaalsContact O-N 3.1Å
699	L	88.1	Confident	83.2	Confident	18 Å²	18	75.7 Å²	75.7	9%	0.094	37%	0.373	C	S	.	.	H	α-helix	trans	-59.8	-49.5	174.8	-72.2	169.5	0	0	0	111.5	N675 M680 F683 L695 Q696 F701 E702 E703	N675-L699 HydrophobicContact CB-CD2 3.88Å; N675-L699 HydrophobicContact CB-CG 4.39Å; M680-L699 HydrophobicContact CE-CD1 4.43Å; F683-L699 HydrophobicContact CD1-CD1 3.77Å; F683-L699 HydrophobicContact CD2-CD1 4.23Å; F683-L699 HydrophobicContact CE1-CD1 3.41Å; F683-L699 VanDerWaalsContact CE1-CD1 3.41Å; F683-L699 HydrophobicContact CE2-CD1 3.93Å; F683-L699 HydrophobicContact CG-CD1 4.17Å; F683-L699 HydrophobicContact CZ-CD1 3.51Å; L695-L699 WeakPolarHBondContact O-CG 3.11Å; L695-L699 PolarHBondContact O-N 3.2Å; Q696-L699 PolarHBondContact O-N 2.74Å; Q696-L699 VanDerWaalsContact O-N 3.15Å; L699-F701 PolarHBondContact O-N 3.04Å; L699-E702 PolarHBondContact O-N 2.9Å; L699-E702 VanDerWaalsContact O-N 3.08Å; L699-E703 PolarHBondContact O-N 3.09Å
700	D	88.1	Confident	81.6	Confident	74 Å²	74	82 Å²	82	40%	0.396	40%	0.399	S	S	.	.	H	α-helix	trans	-59.9	-37.6	-179.1	-65.7	-8.4	0	0	0	111.9	Q696 S704	Q696-D700 PolarHBondContact NE2-OD1 3.07Å; Q696-D700 VanDerWaalsContact O-CG 3.26Å; Q696-D700 PolarHBondContact O-N 2.79Å; D700-S704 VanDerWaalsContact O-CB 3.32Å; D700-S704 WeakPolarHBondContact O-CB 3.39Å; D700-S704 PolarHBondContact O-N 3.01Å; D700-S704 PolarHBondContact O-OG 3.22Å
701	F	85.3	Confident	79.7	Confident	114 Å²	114	83 Å²	83	50%	0.5	40%	0.403	S	S	.	.	H	α-helix	trans	-68.7	-38.7	177.3	-175	-105.1	0	0	0	112.3	V697 M698 L699 R705	V697-F701 WeakPolarHBondContact O-CB 3.34Å; V697-F701 PolarHBondContact O-N 2.82Å; M698-F701 PolarHBondContact O-N 2.94Å; L699-F701 PolarHBondContact O-N 3.04Å; F701-R705 HydrophobicContact CE1-CG 4.47Å; F701-R705 WeakPolarHBondContact O-CG 3.33Å; F701-R705 PolarHBondContact O-N 3.43Å
702	E	78.4	Confident	77.8	Confident	54 Å²	54	86.8 Å²	86.8	25%	0.252	43%	0.426	S	S	.	.	H	α-helix	trans	-69	-41.8	175.6	-74.3	-167.6	-179.1	0	0	112.7	M698 L699 S704 R705 R706	M698-E702 PolarHBondContact O-N 3.37Å; M698-E702 VanDerWaalsContact O-N 3.1Å; L699-E702 PolarHBondContact O-N 2.9Å; L699-E702 VanDerWaalsContact O-N 3.08Å; E702-S704 VanDerWaalsContact C-N 3.33Å; E702-S704 PolarHBondContact O-N 3.42Å; E702-R705 WeakPolarHBondContact O-CB 3.21Å; E702-R705 PolarHBondContact O-N 3.49Å; E702-R706 WeakPolarHBondContact O-CG 3.39Å; E702-R706 PolarHBondContact O-N 2.86Å
703	E	78.6	Confident	75.7	Confident	115 Å²	115	89.1 Å²	89.1	54%	0.537	44%	0.444	S	S	.	.	H	α-helix	trans	-59.9	-44.8	173.4	-72.5	-166.2	162.7	0	0	111.4	L699 R705 R706 C707	L699-E703 PolarHBondContact O-N 3.09Å; E703-R705 VanDerWaalsContact C-N 3.29Å; E703-R705 PolarHBondContact O-N 3.08Å; E703-R706 PolarHBondContact O-N 2.85Å; E703-R706 VanDerWaalsContact O-N 3.14Å; E703-C707 WeakPolarHBondContact O-CB 3.44Å; E703-C707 PolarHBondContact O-N 3.34Å
704	S	76.1	Confident	73.6	Confident	72 Å²	72	89.3 Å²	89.3	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-59.1	-39.6	175.5	-64.6	0	0	0	0	112.2	D700 E702 T708	D700-S704 VanDerWaalsContact O-CB 3.32Å; D700-S704 WeakPolarHBondContact O-CB 3.39Å; D700-S704 PolarHBondContact O-N 3.01Å; D700-S704 PolarHBondContact O-OG 3.22Å; E702-S704 VanDerWaalsContact C-N 3.33Å; E702-S704 PolarHBondContact O-N 3.42Å; S704-T708 PolarHBondContact O-N 2.93Å; S704-T708 PolarHBondContact O-OG1 3.34Å
705	R	73.9	Confident	71.5	Confident	150 Å²	150	96 Å²	96	57%	0.566	47%	0.467	S	S	*	.	H	α-helix	trans	-68	-39.8	173.8	-80.6	-177.4	168.7	-170.9	0.6	112.9	F701 E702 E703 T708 K709	F701-R705 HydrophobicContact CE1-CG 4.47Å; F701-R705 WeakPolarHBondContact O-CG 3.33Å; F701-R705 PolarHBondContact O-N 3.43Å; E702-R705 WeakPolarHBondContact O-CB 3.21Å; E702-R705 PolarHBondContact O-N 3.49Å; E703-R705 VanDerWaalsContact C-N 3.29Å; E703-R705 PolarHBondContact O-N 3.08Å; R705-T708 VanDerWaalsContact CA-OG1 3.32Å; R705-T708 WeakPolarHBondContact CA-OG1 3.41Å; R705-T708 PolarHBondContact O-OG1 2.96Å; R705-T708 VanDerWaalsContact O-OG1 3.11Å; R705-K709 WeakPolarHBondContact O-CB 3.46Å; R705-K709 WeakPolarHBondContact O-CG 3.42Å; R705-K709 PolarHBondContact O-N 3.36Å
706	R	71.1	Confident	69.1	Low	167 Å²	167	101.9 Å²	101.9	63%	0.63	50%	0.498	S	S	*	.	H	α-helix	trans	-65.7	-41.8	176	-73	178.7	-176.2	-172	2.6	111	E702 E703 K709 K710	E702-R706 WeakPolarHBondContact O-CG 3.39Å; E702-R706 PolarHBondContact O-N 2.86Å; E703-R706 PolarHBondContact O-N 2.85Å; E703-R706 VanDerWaalsContact O-N 3.14Å; R706-K709 PolarHBondContact O-N 2.9Å; R706-K710 PolarHBondContact O-N 3.22Å
707	C	60.9	Low	66.7	Low	77 Å²	77	101.3 Å²	101.3	52%	0.52	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-43.8	175	-86.8	0	0	0	0	112.7	E703 K710 Q711	E703-C707 WeakPolarHBondContact O-CB 3.44Å; E703-C707 PolarHBondContact O-N 3.34Å; C707-K710 PolarHBondContact O-N 3.5Å; C707-Q711 WeakPolarHBondContact O-CG 3.23Å; C707-Q711 PolarHBondContact O-N 3.14Å
708	T	62.7	Low	64.2	Low	80 Å²	80	103 Å²	103	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-68.1	-35.2	176.1	36.4	0	0	0	0	113	S704 R705 Q711 T712	S704-T708 PolarHBondContact O-N 2.93Å; S704-T708 PolarHBondContact O-OG1 3.34Å; R705-T708 VanDerWaalsContact CA-OG1 3.32Å; R705-T708 WeakPolarHBondContact CA-OG1 3.41Å; R705-T708 PolarHBondContact O-OG1 2.96Å; R705-T708 VanDerWaalsContact O-OG1 3.11Å; T708-Q711 PolarHBondContact O-N 3.06Å; T708-T712 PolarHBondContact O-N 2.96Å; T708-T712 PolarHBondContact O-OG1 2.74Å
709	K	58.7	Low	61.8	Low	152 Å²	152	106.4 Å²	106.4	66%	0.661	53%	0.529	S	S	*	.	H	α-helix	trans	-66.3	-40.8	171.1	-81.1	-177.8	177.5	179.1	0	112.9	R705 R706 T712 T713	R705-K709 WeakPolarHBondContact O-CB 3.46Å; R705-K709 WeakPolarHBondContact O-CG 3.42Å; R705-K709 PolarHBondContact O-N 3.36Å; R706-K709 PolarHBondContact O-N 2.9Å; K709-T712 WeakPolarHBondContact CA-OG1 3.44Å; K709-T712 PolarHBondContact O-N 3.36Å; K709-T712 PolarHBondContact O-OG1 3.06Å; K709-T713 PolarHBondContact O-N 2.77Å; K709-T713 PolarHBondContact O-OG1 3.36Å
710	K	57	Low	59.4	Low	153 Å²	153	112.5 Å²	112.5	67%	0.665	56%	0.561	S	S	*	*	H	α-helix	trans	-64.5	-37.6	173.3	-79.6	-176.8	177.3	179.3	0	112.1	R706 C707 T713 N714	R706-K710 PolarHBondContact O-N 3.22Å; C707-K710 PolarHBondContact O-N 3.5Å; K710-T713 WeakPolarHBondContact CA-OG1 3.5Å; K710-T713 PolarHBondContact O-OG1 3.01Å; K710-T713 VanDerWaalsContact O-OG1 3.13Å; K710-N714 WeakPolarHBondContact O-CB 3.41Å; K710-N714 PolarHBondContact O-N 3.28Å
711	Q	53.3	Low	56.8	Low	128 Å²	128	119.6 Å²	119.6	60%	0.598	58%	0.583	S	S	*	*	H	α-helix	trans	-71.2	-33.6	175.8	-74.3	-179.4	5.7	0	0	113.6	C707 T708 R715	C707-Q711 WeakPolarHBondContact O-CG 3.23Å; C707-Q711 PolarHBondContact O-N 3.14Å; T708-Q711 PolarHBondContact O-N 3.06Å; Q711-R715 WeakPolarHBondContact O-CB 3.42Å; Q711-R715 WeakPolarHBondContact O-CG 3.3Å; Q711-R715 PolarHBondContact O-N 3.17Å
712	T	52.3	Low	54.2	Low	79 Å²	79	119.5 Å²	119.5	49%	0.485	60%	0.596	S	S	.	*	H	α-helix	trans	-76.6	-33.6	175.8	33.3	0	0	0	0	112.9	T708 K709 R715 N716	T708-T712 PolarHBondContact O-N 2.96Å; T708-T712 PolarHBondContact O-OG1 2.74Å; K709-T712 WeakPolarHBondContact CA-OG1 3.44Å; K709-T712 PolarHBondContact O-N 3.36Å; K709-T712 PolarHBondContact O-OG1 3.06Å; T712-R715 PolarHBondContact O-N 2.65Å; T712-N716 PolarHBondContact O-N 3.29Å
713	T	49.7	Very low	51.9	Low	87 Å²	87	123.1 Å²	123.1	53%	0.534	63%	0.626	S	S	.	*	H	α-helix	trans	-69.9	-36.4	171	39.1	0	0	0	0	112.4	K709 K710 N716 S717	K709-T713 PolarHBondContact O-N 2.77Å; K709-T713 PolarHBondContact O-OG1 3.36Å; K710-T713 WeakPolarHBondContact CA-OG1 3.5Å; K710-T713 PolarHBondContact O-OG1 3.01Å; K710-T713 VanDerWaalsContact O-OG1 3.13Å; T713-N716 PolarHBondContact O-N 3.34Å; T713-S717 PolarHBondContact O-N 3.22Å; T713-S717 VanDerWaalsContact O-N 3.09Å; T713-S717 PolarHBondContact O-OG 3.13Å
714	N	50.2	Low	49.5	Very low	106 Å²	106	122.8 Å²	122.8	57%	0.567	64%	0.643	S	S	*	*	H	α-helix	trans	-68.7	-34.2	170.6	-81.7	-6.4	0	0	0	113.2	K710 N716 S717 D718	K710-N714 WeakPolarHBondContact O-CB 3.41Å; K710-N714 PolarHBondContact O-N 3.28Å; N714-N716 VanDerWaalsContact C-N 3.34Å; N714-S717 WeakPolarHBondContact CA-OG 3.45Å; N714-S717 PolarHBondContact O-N 3.33Å; N714-S717 PolarHBondContact O-OG 2.96Å; N714-S717 VanDerWaalsContact O-OG 3.09Å; N714-D718 PolarHBondContact O-N 3.27Å
715	R	47.6	Very low	47.3	Very low	196 Å²	196	124.6 Å²	124.6	74%	0.74	66%	0.662	S	S	*	*	H	α-helix	trans	-69.8	-28.3	173.5	-83.6	-177.9	173.4	180	-0.1	113.9	Q711 T712	Q711-R715 WeakPolarHBondContact O-CB 3.42Å; Q711-R715 WeakPolarHBondContact O-CG 3.3Å; Q711-R715 PolarHBondContact O-N 3.17Å; T712-R715 PolarHBondContact O-N 2.65Å
716	N	44.8	Very low	45	Very low	123 Å²	123	120.6 Å²	120.6	66%	0.658	67%	0.668	S	S	*	*	H	α-helix	trans	-84.9	-17.5	175.6	-74.9	-6.3	0	0	0	113.1	T712 T713 N714 T719	T712-N716 PolarHBondContact O-N 3.29Å; T713-N716 PolarHBondContact O-N 3.34Å; N714-N716 VanDerWaalsContact C-N 3.34Å; N716-T719 PolarHBondContact O-OG1 3.24Å; N716-T719 VanDerWaalsContact O-OG1 3.05Å
717	S	41.3	Very low	42.9	Very low	42 Å²	42	119.8 Å²	119.8	29%	0.294	68%	0.681	S	S	.	*	H	α-helix	trans	-88.6	-13.3	173.5	63.3	0	0	0	0	113.8	T713 N714 T719	T713-S717 PolarHBondContact O-N 3.22Å; T713-S717 VanDerWaalsContact O-N 3.09Å; T713-S717 PolarHBondContact O-OG 3.13Å; N714-S717 WeakPolarHBondContact CA-OG 3.45Å; N714-S717 PolarHBondContact O-N 3.33Å; N714-S717 PolarHBondContact O-OG 2.96Å; N714-S717 VanDerWaalsContact O-OG 3.09Å; S717-T719 VanDerWaalsContact C-N 3.26Å; S717-T719 PolarHBondContact O-N 3.46Å
718	D	39.9	Very low	41.2	Very low	136 Å²	136	125.3 Å²	125.3	73%	0.727	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-4.4	170.2	-80.7	-21.7	0	0	0	113.7	N714	N714-D718 PolarHBondContact O-N 3.27Å
719	T	40.3	Very low	39.5	Very low	111 Å²	111	127.6 Å²	127.6	68%	0.681	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-4.1	172.5	37	0	0	0	0	115	N716 S717	N716-T719 PolarHBondContact O-OG1 3.24Å; N716-T719 VanDerWaalsContact O-OG1 3.05Å; S717-T719 VanDerWaalsContact C-N 3.26Å; S717-T719 PolarHBondContact O-N 3.46Å
720	D	38.3	Very low	38	Very low	147 Å²	147	128 Å²	128	79%	0.786	72%	0.723	S	S	*	*	S	Bend	trans	-143.5	73.9	176.8	-93.7	-32	0	0	0	111.5
721	R	32.3	Very low	36.6	Very low	223 Å²	223	130.2 Å²	130.2	84%	0.842	73%	0.733	S	S	*	*			trans	-137.8	83	162.3	-81	-169.5	172.9	175.4	-1.4	111.7
722	S	30.8	Very low	35.3	Very low	111 Å²	111	130 Å²	130	78%	0.776	74%	0.744	S	S	*	*	S	Bend	trans	-120.1	127.4	141.1	72.2	0	0	0	0	108.3
723	C	30.6	Very low	34.2	Very low	131 Å²	131	132.4 Å²	132.4	89%	0.885	76%	0.758	S	S	*	*	S	Bend	trans	68.2	99.9	172.9	-68.1	0	0	0	0	118.5
724	A	28.6	Very low	33.3	Very low	108 Å²	108	135.5 Å²	135.5	89%	0.893	77%	0.77	S	S	*	*				167.1	126.5	112.3	0	0	0	0	0	110.2
725	A	28.3	Very low	32.5	Very low	110 Å²	110	142.4 Å²	142.4	91%	0.909	80%	0.799	S	S	*	*			trans	-85.9	145.9	171.4	0	0	0	0	0	110.3
726	G	26.1	Very low	31.7	Very low	66 Å²	66	139.7 Å²	139.7	68%	0.68	80%	0.802	S	S	*	*			trans	134	105.9	153.7	0	0	0	0	0	116.7
727	T	27.3	Very low	31.1	Very low	150 Å²	150	140.6 Å²	140.6	92%	0.92	81%	0.809	S	S	*	*			trans	63.4	100.3	148.1	41.8	0	0	0	0	119
728	Q	24.6	Very low	30.5	Very low	192 Å²	192	146.1 Å²	146.1	90%	0.897	84%	0.838	S	S	*	*			trans	-108.8	118.3	163.5	-152.8	169.3	11.3	0	0	107.5
729	T	26.8	Very low	29.9	Very low	129 Å²	129	146.6 Å²	146.6	79%	0.791	84%	0.844	S	S	*	*			trans	-76.7	126.8	175.5	44.6	0	0	0	0	110
730	D	27.5	Very low	29.3	Very low	161 Å²	161	148.9 Å²	148.9	86%	0.861	85%	0.854	S	S	*	*			trans	-60.2	129.6	173.6	-71	-44	0	0	0	111.3
731	K	28.1	Very low	28.7	Very low	199 Å²	199	149 Å²	149	87%	0.865	86%	0.859	S	S	*	*			trans	-98.5	110.2	161.8	-76.5	-173.4	174	-172.3	0	107	V733	K731-V733 PolarHBondContact O-N 3.46Å
732	C	25.5	Very low	28.4	Very low	122 Å²	122	143.7 Å²	143.7	82%	0.824	86%	0.86	S	S	*	*			trans	-55.6	119.8	166.8	-82.7	0	0	0	0	109.7
733	V	29.6	Very low	28.3	Very low	131 Å²	131	146.2 Å²	146.2	79%	0.794	87%	0.867	S	S	*	*			trans	-92.1	117.4	147.8	175.4	0	0	0	0	103.4	K731 Q735	K731-V733 PolarHBondContact O-N 3.46Å; V733-Q735 PolarHBondContact O-N 3.01Å
734	I	30.8	Very low	28.1	Very low	151 Å²	151	147.5 Å²	147.5	77%	0.774	87%	0.865	S	S	*	*			trans	-64.1	115.6	177.3	-61.3	171.7	0	0	0	106.3
735	Q	33.6	Very low	28	Very low	251 Å²	251	151.1 Å²	151.1	100%	1.173	86%	0.863	S	S	*	*			trans	-89.4	0	167.2	-80.2	-169.8	-61.3	0	0	108.9	V733	V733-Q735 PolarHBondContact O-N 3.01Å

Retrieved 735 of 735 residues in 1007.2 ms (Link to these results)

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