A0A060XPD6_ONCMY Loading...

BTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A060XPD6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 622 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	34.2	Very low	240 Å²	240	159 Å²	159	100%	1.182	84%	0.844	S	S	*	*				0	94.8	0	-80.5	179.4	178.2	0	0	106.8
2	D	31.9	Very low	34.1	Very low	154 Å²	154	154.7 Å²	154.7	82%	0.824	84%	0.836	S	S	*	*			trans	48.9	149.1	145.4	-70.6	-1.1	0	0	0	123.2
3	P	46.6	Very low	34.2	Very low	117 Å²	117	158.5 Å²	158.5	76%	0.76	85%	0.845	S	S	*	*				-140.9	161.7	-51.4	31.9	-12.3	0	0	0	112.9
4	R	31.4	Very low	34.1	Very low	254 Å²	254	153.1 Å²	153.1	96%	0.958	85%	0.845	S	S	*	*			trans	-89.9	131.3	166.4	-74.8	176.2	173.2	171.8	-3.7	109.2
5	S	32	Very low	34.2	Very low	110 Å²	110	151.4 Å²	151.4	77%	0.769	84%	0.841	S	S	*	*			trans	-104.9	125.6	166.9	55.8	0	0	0	0	109.2
6	E	31.2	Very low	34.3	Very low	202 Å²	202	151.1 Å²	151.1	94%	0.944	84%	0.838	S	S	*	*				-172.4	135.2	127	-104.2	172.9	-164.7	0	0	109.6
7	G	28.1	Very low	34.1	Very low	64 Å²	64	155.5 Å²	155.5	66%	0.66	84%	0.84	S	S	*	*			trans	-163.9	147	175.2	0	0	0	0	0	109.8
8	S	29.6	Very low	34.5	Very low	116 Å²	116	154.5 Å²	154.5	81%	0.811	84%	0.84	S	S	*	*			trans	83.7	129.7	-177.3	72.4	0	0	0	0	114.5
9	D	31.1	Very low	35.1	Very low	156 Å²	156	151.5 Å²	151.5	83%	0.834	83%	0.829	S	S	*	*			cis	-159	160.5	27.4	-125.3	-7.5	0	0	0	112.5
10	P	48.2	Very low	35.5	Very low	100 Å²	100	151.8 Å²	151.8	65%	0.649	83%	0.83	S	S	*	*			trans	-102.7	161.2	-179.9	36.5	-26.3	0	0	0	113
11	R	33.1	Very low	35.9	Very low	236 Å²	236	150.6 Å²	150.6	89%	0.891	83%	0.833	S	S	*	*				166.1	156.4	119.6	-92.6	172	178.9	-175	0.9	115.9
12	S	32.4	Very low	36.8	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	81%	0.813	S	S	*	*			trans	80.3	98.2	161	62.6	0	0	0	0	116.5
13	E	35.6	Very low	37.6	Very low	205 Å²	205	144.7 Å²	144.7	96%	0.958	81%	0.811	S	S	*	*				74.6	120.6	70.4	-77.2	-168.7	171.3	0	0	114.5
14	G	33.2	Very low	37.7	Very low	82 Å²	82	148.1 Å²	148.1	85%	0.845	81%	0.81	S	S	*	*			trans	165.8	93	168.4	0	0	0	0	0	113.2
15	T	35.8	Very low	38.8	Very low	128 Å²	128	142 Å²	142	79%	0.785	80%	0.8	S	S	*	*			trans	-76.5	136.9	-170.6	46	0	0	0	0	117.4
16	D	35.6	Very low	39.9	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	79%	0.789	S	S	*	*				53.5	117.3	125.9	-63.9	-27.4	0	0	0	124.5
17	Y	30.5	Very low	41.2	Very low	225 Å²	225	139 Å²	139	88%	0.882	78%	0.781	S	S	*	*				-165.2	123.9	119	-133.7	-97.6	0	0	0	110.7
18	V	41.8	Very low	42.7	Very low	138 Å²	138	144.4 Å²	144.4	84%	0.836	79%	0.789	S	S	*	*			trans	-132.4	131.9	169.6	-178.4	0	0	0	0	109.9
19	P	45.6	Very low	44.1	Very low	98 Å²	98	149.1 Å²	149.1	64%	0.636	79%	0.789	S	S	*	*			trans	-97.5	148.9	176.9	35.5	-29.3	0	0	0	113.9
20	N	43.7	Very low	45.6	Very low	156 Å²	156	147.1 Å²	147.1	83%	0.834	79%	0.787	S	S	*	*			trans	54.4	104.7	152.9	-66.7	-12.6	0	0	0	119.8
21	S	43.4	Very low	46.4	Very low	127 Å²	127	149.4 Å²	149.4	89%	0.888	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-78.4	124.1	169.1	27.3	0	0	0	0	112.9
22	I	52.5	Low	48.2	Very low	152 Å²	152	145.9 Å²	145.9	78%	0.779	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-77.3	147.3	169.3	-60.6	168.3	0	0	0	108.9	Y24	I22-Y24 PolarHBondContact O-N 3.33Å
23	P	48	Very low	50.2	Low	118 Å²	118	146.7 Å²	146.7	77%	0.766	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.6	124.3	177.7	-13.9	28	0	0	0	111.8	V25	P23-V25 PolarHBondContact O-N 3.43Å
24	Y	48	Very low	52.4	Low	190 Å²	190	142.1 Å²	142.1	75%	0.745	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69	116.5	179.8	-175.2	-98.2	0	0	0	111.4	I22 P26	I22-Y24 PolarHBondContact O-N 3.33Å; Y24-P26 HydrophobicContact CE1-CB 4.29Å
25	V	55.6	Low	54.9	Low	124 Å²	124	141.7 Å²	141.7	75%	0.752	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-83.1	123.9	164.8	-177.8	0	0	0	0	106.8	P23 E27	P23-V25 PolarHBondContact O-N 3.43Å; V25-E27 PolarHBondContact O-N 3.08Å; V25-E27 VanDerWaalsContact O-N 3.08Å
26	P	54.4	Low	57.2	Low	82 Å²	82	144.4 Å²	144.4	53%	0.532	77%	0.765	S	S	.	*			trans	-69.6	111	-176.9	26	-30.9	0	0	0	110.5	Y24 H28	Y24-P26 HydrophobicContact CE1-CB 4.29Å; P26-H28 PolarHBondContact O-N 3.49Å; P26-H28 PolarHBondContact O-ND1 3.26Å; P26-H28 VanDerWaalsContact O-ND1 3.13Å
27	E	59.8	Low	59.8	Low	167 Å²	167	139.4 Å²	139.4	78%	0.78	74%	0.744	S	S	*	*			trans	-55.2	117.6	165.7	-71.4	-178.5	163.6	0	0	108.8	V25 R29	V25-E27 PolarHBondContact O-N 3.08Å; V25-E27 VanDerWaalsContact O-N 3.08Å; E27-R29 PolarHBondContact O-N 2.91Å; E27-R29 VanDerWaalsContact O-N 3.14Å
28	H	58.6	Low	62.6	Low	178 Å²	178	134.1 Å²	134.1	82%	0.824	73%	0.727	S	S	*	*			trans	-70.4	110	177	-77.3	45.2	0	0	0	108.6	P26 S30	P26-H28 PolarHBondContact O-N 3.49Å; P26-H28 PolarHBondContact O-ND1 3.26Å; P26-H28 VanDerWaalsContact O-ND1 3.13Å; H28-S30 PolarHBondContact O-N 3.28Å
29	R	59.3	Low	64.8	Low	215 Å²	215	131.4 Å²	131.4	81%	0.811	72%	0.715	S	S	*	*			trans	-72.3	106.4	176.4	-169.9	175.1	171.4	162.8	-1.8	109.4	E27 E31	E27-R29 PolarHBondContact O-N 2.91Å; E27-R29 VanDerWaalsContact O-N 3.14Å; R29-E31 IonicContact CZ-OE1 2.65Å; R29-E31 IonicContact NE-OE1 2.63Å; R29-E31 PolarHBondContact NE-OE1 3.08Å; R29-E31 IonicContact NH2-OE1 2.64Å; R29-E31 PolarHBondContact NH2-OE1 3.13Å
30	S	61.6	Low	66.8	Low	114 Å²	114	133.8 Å²	133.8	80%	0.797	72%	0.717	S	S	*	*			trans	-98.6	122.4	171.8	57	0	0	0	0	110.3	H28	H28-S30 PolarHBondContact O-N 3.28Å
31	E	66.8	Low	69	Low	149 Å²	149	132.4 Å²	132.4	70%	0.696	71%	0.706	S	S	*	*			trans	-110.1	124.5	171.6	-69.4	-178.7	177.6	0	0	108.9	R29	R29-E31 IonicContact CZ-OE1 2.65Å; R29-E31 IonicContact NE-OE1 2.63Å; R29-E31 PolarHBondContact NE-OE1 3.08Å; R29-E31 IonicContact NH2-OE1 2.64Å; R29-E31 PolarHBondContact NH2-OE1 3.13Å
32	L	69.1	Low	71.4	Confident	162 Å²	162	130.9 Å²	130.9	85%	0.848	69%	0.687	S	S	*	*			trans	-86.8	115.3	178.5	-179.1	69.3	0	0	0	109.5	V34	L32-V34 HydrophobicContact CD2-CG2 4.02Å; L32-V34 HydrophobicContact CG-CG2 3.95Å
33	C	76.3	Confident	73.3	Confident	124 Å²	124	126.1 Å²	126.1	84%	0.838	66%	0.663	S	S	*	*			trans	-94.1	120.1	172.4	-174.7	0	0	0	0	109.7
34	V	80.7	Confident	75.4	Confident	109 Å²	109	122.5 Å²	122.5	66%	0.661	65%	0.647	S	S	*	*			trans	-114.9	127	176.9	-175.5	0	0	0	0	108.7	L32	L32-V34 HydrophobicContact CD2-CG2 4.02Å; L32-V34 HydrophobicContact CG-CG2 3.95Å
35	S	85.4	Confident	77.5	Confident	73 Å²	73	118.2 Å²	118.2	51%	0.51	64%	0.635	S	S	.	*			trans	-113.6	106.9	174.8	179.6	0	0	0	0	109.8	A37 H38	S35-A37 VanDerWaalsContact C-N 3.25Å; S35-A37 PolarHBondContact O-N 3.19Å; S35-H38 WeakPolarHBondContact O-CB 3.4Å; S35-H38 PolarHBondContact O-N 3.14Å
36	E	85.2	Confident	79.3	Confident	184 Å²	184	114 Å²	114	86%	0.86	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-26.7	-177.7	-63.4	-178.4	170.8	0	0	112.9
37	A	88.7	Confident	81.1	Confident	42 Å²	42	115.9 Å²	115.9	35%	0.347	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.3	-3.8	-179.1	0	0	0	0	0	114.3	S35 S39 Q40 Q41	S35-A37 VanDerWaalsContact C-N 3.25Å; S35-A37 PolarHBondContact O-N 3.19Å; A37-S39 PolarHBondContact O-N 2.95Å; A37-Q40 PolarHBondContact O-N 2.93Å; A37-Q41 WeakPolarHBondContact O-CG 3.21Å; A37-Q41 PolarHBondContact O-N 3.36Å; A37-Q41 VanDerWaalsContact O-N 3.1Å
38	H	90.1	Very high	82.7	Confident	115 Å²	115	109.7 Å²	109.7	53%	0.532	58%	0.579	S	S	.	*	H	α-helix	trans	-61.4	-41.8	-171.8	-177.7	62.3	0	0	0	113	S35 Q41 L42	S35-H38 WeakPolarHBondContact O-CB 3.4Å; S35-H38 PolarHBondContact O-N 3.14Å; H38-Q41 PolarHBondContact O-N 2.67Å; H38-L42 WeakPolarHBondContact O-CB 3.2Å; H38-L42 PolarHBondContact O-N 3Å
39	S	88.1	Confident	84.4	Confident	81 Å²	81	103.8 Å²	103.8	57%	0.566	55%	0.551	S	S	*	*	H	α-helix	trans	-64.3	-43.1	-179.8	53.9	0	0	0	0	112.6	A37 L42 L43	A37-S39 PolarHBondContact O-N 2.95Å; S39-L42 PolarHBondContact O-N 3.49Å; S39-L43 WeakPolarHBondContact O-CB 3.23Å; S39-L43 PolarHBondContact O-N 2.97Å
40	Q	88.4	Confident	86	Confident	148 Å²	148	96.1 Å²	96.1	69%	0.692	52%	0.522	S	S	*	.	H	α-helix	trans	-66.3	-41.6	177.9	-68.3	177.9	-7.1	0	0	111.7	A37 L43 G44	A37-Q40 PolarHBondContact O-N 2.93Å; Q40-L43 PolarHBondContact O-N 3.19Å; Q40-G44 PolarHBondContact O-N 3.35Å
41	Q	90.2	Very high	87.4	Confident	127 Å²	127	97.1 Å²	97.1	59%	0.593	52%	0.515	S	S	*	.	H	α-helix	trans	-63.9	-43.2	175.7	-71.5	178.8	-9	0	0	111.7	A37 H38 G44 M45	A37-Q41 WeakPolarHBondContact O-CG 3.21Å; A37-Q41 PolarHBondContact O-N 3.36Å; A37-Q41 VanDerWaalsContact O-N 3.1Å; H38-Q41 PolarHBondContact O-N 2.67Å; Q41-G44 PolarHBondContact O-N 3.09Å; Q41-M45 WeakPolarHBondContact O-CG 3.37Å; Q41-M45 PolarHBondContact O-N 3.22Å
42	L	92.3	Very high	88.7	Confident	94 Å²	94	98.1 Å²	98.1	49%	0.492	51%	0.512	S	S	.	.	H	α-helix	trans	-60.8	-47.3	176.5	-179.3	65.3	0	0	0	111.4	H38 S39 G44 M45 L46	H38-L42 WeakPolarHBondContact O-CB 3.2Å; H38-L42 PolarHBondContact O-N 3Å; S39-L42 PolarHBondContact O-N 3.49Å; L42-G44 PolarHBondContact O-N 3.2Å; L42-M45 PolarHBondContact O-N 3.05Å; L42-L46 HydrophobicContact CG-CD1 4.29Å; L42-L46 WeakPolarHBondContact O-CG 3.36Å; L42-L46 PolarHBondContact O-N 3.2Å
43	L	92.7	Very high	89.8	Confident	53 Å²	53	92.5 Å²	92.5	28%	0.277	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-42.1	178.2	-171.4	62.3	0	0	0	111.7	S39 Q40 M45 L46 R47 Y115	S39-L43 WeakPolarHBondContact O-CB 3.23Å; S39-L43 PolarHBondContact O-N 2.97Å; Q40-L43 PolarHBondContact O-N 3.19Å; L43-M45 VanDerWaalsContact C-N 3.3Å; L43-M45 PolarHBondContact O-N 2.79Å; L43-L46 PolarHBondContact O-N 3.14Å; L43-R47 PolarHBondContact O-N 3.36Å; L43-Y115 WeakPolarHBondContact CG-O 3.49Å
44	G	91.3	Very high	90.5	Very high	41 Å²	41	89.7 Å²	89.7	42%	0.423	47%	0.47	S	S	.	.	H	α-helix	trans	-59	-38.9	174.1	0	0	0	0	0	113.1	Q40 Q41 L42 S48	Q40-G44 PolarHBondContact O-N 3.35Å; Q41-G44 PolarHBondContact O-N 3.09Å; L42-G44 PolarHBondContact O-N 3.2Å; G44-S48 PolarHBondContact O-N 2.92Å; G44-S48 VanDerWaalsContact O-N 3.09Å
45	M	92.8	Very high	90.9	Very high	100 Å²	100	90.5 Å²	90.5	49%	0.493	47%	0.47	S	S	.	.	H	α-helix	trans	-68.7	-42.9	174.8	-71.8	-57.8	-57.8	0	0	112.6	Q41 L42 L43 R47 S48 F49	Q41-M45 WeakPolarHBondContact O-CG 3.37Å; Q41-M45 PolarHBondContact O-N 3.22Å; L42-M45 PolarHBondContact O-N 3.05Å; L43-M45 VanDerWaalsContact C-N 3.3Å; L43-M45 PolarHBondContact O-N 2.79Å; M45-R47 VanDerWaalsContact C-N 3.3Å; M45-R47 PolarHBondContact O-N 2.9Å; M45-S48 WeakPolarHBondContact O-CB 3.23Å; M45-S48 PolarHBondContact O-N 3.32Å; M45-S48 VanDerWaalsContact O-N 3.15Å; M45-F49 HydrophobicContact CE-CE1 4.06Å; M45-F49 HydrophobicContact CE-CZ 4.25Å; M45-F49 WeakPolarHBondContact O-CG 3.31Å; M45-F49 PolarHBondContact O-N 3.41Å
46	L	93.1	Very high	91.3	Very high	37 Å²	37	90.1 Å²	90.1	19%	0.194	46%	0.459	C	S	.	.	H	α-helix	trans	-61.4	-39.6	176.3	-70.6	169	0	0	0	111.6	L42 L43 F49 R50 V73 Y115	L42-L46 HydrophobicContact CG-CD1 4.29Å; L42-L46 WeakPolarHBondContact O-CG 3.36Å; L42-L46 PolarHBondContact O-N 3.2Å; L43-L46 PolarHBondContact O-N 3.14Å; L46-F49 HydrophobicContact CD2-CD2 4.45Å; L46-F49 PolarHBondContact O-N 2.85Å; L46-R50 PolarHBondContact O-N 2.95Å; L46-R50 VanDerWaalsContact O-N 3.14Å; L46-V73 HydrophobicContact CD1-CG2 4.04Å; L46-V73 HydrophobicContact CD2-CG2 4.12Å; L46-Y115 HydrophobicContact CB-CD1 4.26Å; L46-Y115 HydrophobicContact CB-CE1 4.47Å; L46-Y115 WeakPolarHBondContact O-CD1 3.39Å
47	R	92.7	Very high	91.6	Very high	120 Å²	120	84.7 Å²	84.7	45%	0.453	44%	0.436	S	S	.	.	H	α-helix	trans	-60.2	-45.8	172.3	-176.9	178.4	174.7	163.3	6.2	111.8	L43 M45 F49 R50 E51	L43-R47 PolarHBondContact O-N 3.36Å; M45-R47 VanDerWaalsContact C-N 3.3Å; M45-R47 PolarHBondContact O-N 2.9Å; R47-F49 VanDerWaalsContact C-N 3.29Å; R47-F49 PolarHBondContact O-N 3.25Å; R47-R50 WeakPolarHBondContact O-CB 3.45Å; R47-R50 PolarHBondContact O-N 3.5Å; R47-R50 VanDerWaalsContact O-N 3.15Å; R47-E51 IonicContact CZ-OE1 3.68Å; R47-E51 IonicContact NE-OE1 2.64Å; R47-E51 PolarHBondContact NE-OE1 3.42Å; R47-E51 IonicContact NH2-OE1 3.75Å; R47-E51 WeakPolarHBondContact O-CG 3.49Å; R47-E51 PolarHBondContact O-N 2.9Å
48	S	94	Very high	91.7	Very high	37 Å²	37	82.8 Å²	82.8	26%	0.259	42%	0.42	S	S	.	.	H	α-helix	trans	-60.3	-37.4	176.4	-173.8	0	0	0	0	112.8	G44 M45 E51 R52	G44-S48 PolarHBondContact O-N 2.92Å; G44-S48 VanDerWaalsContact O-N 3.09Å; M45-S48 WeakPolarHBondContact O-CB 3.23Å; M45-S48 PolarHBondContact O-N 3.32Å; M45-S48 VanDerWaalsContact O-N 3.15Å; S48-E51 PolarHBondContact O-N 2.87Å; S48-R52 WeakPolarHBondContact O-CB 3.31Å; S48-R52 WeakPolarHBondContact O-CG 3.37Å; S48-R52 PolarHBondContact O-N 3.03Å; S48-R52 VanDerWaalsContact O-N 3.1Å
49	F	93.6	Very high	91.9	Very high	54 Å²	54	79.2 Å²	79.2	24%	0.237	41%	0.406	C	S	.	.	H	α-helix	trans	-63.9	-42.4	174.9	-65.6	-17.5	0	0	0	112.1	M45 L46 R47 R52 G53 L54 L55	M45-F49 HydrophobicContact CE-CE1 4.06Å; M45-F49 HydrophobicContact CE-CZ 4.25Å; M45-F49 WeakPolarHBondContact O-CG 3.31Å; M45-F49 PolarHBondContact O-N 3.41Å; L46-F49 HydrophobicContact CD2-CD2 4.45Å; L46-F49 PolarHBondContact O-N 2.85Å; R47-F49 VanDerWaalsContact C-N 3.29Å; R47-F49 PolarHBondContact O-N 3.25Å; F49-R52 PolarHBondContact O-N 3.09Å; F49-G53 PolarHBondContact O-N 3.43Å; F49-L54 HydrophobicContact CB-CB 4.41Å; F49-L54 HydrophobicContact CD1-CD1 4.36Å; F49-L54 PolarHBondContact O-N 3.33Å; F49-L55 HydrophobicContact CD2-CD1 4.02Å; F49-L55 HydrophobicContact CE2-CD1 3.89Å; F49-L55 HydrophobicContact CZ-CD1 4.33Å
50	R	92.8	Very high	92.1	Very high	54 Å²	54	75.4 Å²	75.4	20%	0.204	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-46.7	176	-176.4	176.1	174.3	-143.4	-11.7	112	L46 R47 R52 G53 F56 L111 D112 Y115	L46-R50 PolarHBondContact O-N 2.95Å; L46-R50 VanDerWaalsContact O-N 3.14Å; R47-R50 WeakPolarHBondContact O-CB 3.45Å; R47-R50 PolarHBondContact O-N 3.5Å; R47-R50 VanDerWaalsContact O-N 3.15Å; R50-R52 VanDerWaalsContact C-N 3.27Å; R50-R52 PolarHBondContact O-N 2.92Å; R50-G53 PolarHBondContact O-N 3.25Å; R50-F56 HydrophobicContact CB-CE1 4.39Å; R50-F56 HydrophobicContact CG-CE1 4.3Å; R50-F56 HydrophobicContact CG-CZ 4.26Å; R50-L111 PolarHBondContact NH1-O 2.93Å; R50-D112 IonicContact CZ-OD1 3.8Å; R50-D112 VanDerWaalsContact CZ-OD1 3.27Å; R50-D112 VanDerWaalsContact NH1-CA 3.35Å; R50-D112 IonicContact NH1-OD1 3.04Å; R50-D112 PolarHBondContact NH1-OD1 2.87Å; R50-D112 IonicContact NH2-OD1 3.47Å; R50-D112 PolarHBondContact NH2-OD1 3.15Å; R50-Y115 HydrophobicContact CB-CD1 3.9Å; R50-Y115 HydrophobicContact CB-CE1 3.87Å; R50-Y115 HydrophobicContact CG-CE1 4.45Å
51	E	92	Very high	92.2	Very high	135 Å²	135	68.7 Å²	68.7	63%	0.631	35%	0.348	S	S	*	.	H	α-helix	trans	-63.4	-31.5	180	-70.9	171.7	-177.2	0	0	112.8	R47 S48	R47-E51 IonicContact CZ-OE1 3.68Å; R47-E51 IonicContact NE-OE1 2.64Å; R47-E51 PolarHBondContact NE-OE1 3.42Å; R47-E51 IonicContact NH2-OE1 3.75Å; R47-E51 WeakPolarHBondContact O-CG 3.49Å; R47-E51 PolarHBondContact O-N 2.9Å; S48-E51 PolarHBondContact O-N 2.87Å
52	R	93.1	Very high	92.3	Very high	171 Å²	171	62.7 Å²	62.7	65%	0.645	32%	0.32	S	S	*	.	H	α-helix	trans	-92.6	-4.6	179.5	-66.3	173.3	62.8	-171.6	-1	114.3	S48 F49 R50 L54	S48-R52 WeakPolarHBondContact O-CB 3.31Å; S48-R52 WeakPolarHBondContact O-CG 3.37Å; S48-R52 PolarHBondContact O-N 3.03Å; S48-R52 VanDerWaalsContact O-N 3.1Å; F49-R52 PolarHBondContact O-N 3.09Å; R50-R52 VanDerWaalsContact C-N 3.27Å; R50-R52 PolarHBondContact O-N 2.92Å; R52-L54 HydrophobicContact CB-CD1 3.97Å; R52-L54 HydrophobicContact CB-CG 3.92Å
53	G	91.6	Very high	92.1	Very high	44 Å²	44	64.6 Å²	64.6	45%	0.454	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	36.2	-178	0	0	0	0	0	114.7	F49 R50 F56	F49-G53 PolarHBondContact O-N 3.43Å; R50-G53 PolarHBondContact O-N 3.25Å; G53-F56 VanDerWaalsContact CA-CE2 3.41Å
54	L	91.3	Very high	91.7	Very high	65 Å²	65	70 Å²	70	34%	0.34	36%	0.356	S	S	.	.			trans	-100.9	148.5	-176.8	-61.6	175.9	0	0	0	111.3	F49 R52 F56 H70	F49-L54 HydrophobicContact CB-CB 4.41Å; F49-L54 HydrophobicContact CD1-CD1 4.36Å; F49-L54 PolarHBondContact O-N 3.33Å; R52-L54 HydrophobicContact CB-CD1 3.97Å; R52-L54 HydrophobicContact CB-CG 3.92Å; L54-F56 PolarHBondContact O-N 3.19Å; L54-F56 VanDerWaalsContact O-N 3.09Å; L54-H70 PolarHBondContact O-NE2 3.28Å
55	L	90.5	Very high	91.8	Very high	126 Å²	126	72.2 Å²	72.2	66%	0.66	36%	0.355	S	S	*	.	S	Bend	trans	59.6	17.8	168.2	-55.3	176.3	0	0	0	116.7	F49 D57 H70	F49-L55 HydrophobicContact CD2-CD1 4.02Å; F49-L55 HydrophobicContact CE2-CD1 3.89Å; F49-L55 HydrophobicContact CZ-CD1 4.33Å; L55-D57 PolarHBondContact O-N 3.12Å; L55-H70 PolarHBondContact O-CD2 3.32Å
56	F	92.7	Very high	91.8	Very high	64 Å²	64	72.1 Å²	72.1	28%	0.281	36%	0.36	S	S	.	.			trans	-63.7	127.7	173.6	-61.6	-42.9	0	0	0	112	R50 G53 L54 P68 H70	R50-F56 HydrophobicContact CB-CE1 4.39Å; R50-F56 HydrophobicContact CG-CE1 4.3Å; R50-F56 HydrophobicContact CG-CZ 4.26Å; G53-F56 VanDerWaalsContact CA-CE2 3.41Å; L54-F56 PolarHBondContact O-N 3.19Å; L54-F56 VanDerWaalsContact O-N 3.09Å; F56-P68 HydrophobicContact CB-CB 4.26Å; F56-P68 HydrophobicContact CD1-CB 4.45Å; F56-P68 HydrophobicContact CD2-CB 3.48Å; F56-P68 VanDerWaalsContact CD2-CB 3.48Å; F56-P68 HydrophobicContact CD2-CG 3.9Å; F56-P68 WeakPolarHBondContact CE1-O 3.01Å; F56-P68 HydrophobicContact CE2-CB 3.7Å; F56-P68 HydrophobicContact CE2-CG 3.59Å; F56-P68 HydrophobicContact CG-CB 3.85Å; F56-P68 HydrophobicContact CZ-CB 4.32Å; F56-P68 HydrophobicContact CZ-CG 4.17Å; F56-H70 AromaticContact CD1-CE1 3.72Å; F56-H70 AromaticContact CD1-NE2 3.87Å; F56-H70 AromaticContact CE1-CE1 3.67Å
57	D	91.3	Very high	91.9	Very high	70 Å²	70	71.5 Å²	71.5	37%	0.374	36%	0.356	S	S	.	.			trans	-120.4	-0.3	179.8	61.5	-7.2	0	0	0	112.4	L55 C69 H70 R71	L55-D57 PolarHBondContact O-N 3.12Å; D57-C69 PolarHBondContact N-O 3.04Å; D57-H70 VanDerWaalsContact OD1-CA 3.23Å; D57-H70 WeakPolarHBondContact OD1-CA 3.35Å; D57-R71 WeakPolarHBondContact OD1-CG 3.34Å; D57-R71 PolarHBondContact OD1-N 2.95Å
58	F	92.1	Very high	91.9	Very high	3 Å²	3	68.3 Å²	68.3	1%	0.013	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	154.6	-179.9	-158.4	-113.1	0	0	0	112.8	I60 C69 R71 L74 F81 M84 F85 V97	F58-I60 HydrophobicContact CD1-CG1 4.28Å; F58-I60 HydrophobicContact CE1-CG1 4.15Å; F58-C69 PolarHBondContact N-O 3.03Å; F58-C69 PolarHBondContact O-N 3.25Å; F58-C69 VanDerWaalsContact O-O 3.1Å; F58-R71 HydrophobicContact CB-CG 3.66Å; F58-R71 HydrophobicContact CD2-CG 4.2Å; F58-R71 HydrophobicContact CG-CG 4.07Å; F58-L74 HydrophobicContact CD1-CD1 3.89Å; F58-L74 HydrophobicContact CE1-CD1 4.4Å; F58-F81 HydrophobicContact CE1-CE1 4.4Å; F58-M84 HydrophobicContact CE1-CE 3.89Å; F58-M84 HydrophobicContact CE2-CE 4.1Å; F58-M84 HydrophobicContact CZ-CE 3.35Å; F58-F85 HydrophobicContact CD1-CE1 4.42Å; F58-F85 HydrophobicContact CD1-CZ 4.02Å; F58-F85 AromaticContact CD2-CE1 3.97Å; F58-F85 HydrophobicContact CD2-CE1 3.97Å; F58-F85 HydrophobicContact CD2-CZ 4.28Å; F58-F85 HydrophobicContact CE1-CE1 4.17Å; F58-F85 AromaticContact CE1-CZ 3.99Å; F58-F85 HydrophobicContact CE1-CZ 3.99Å; F58-F85 AromaticContact CE2-CE1 3.72Å; F58-F85 HydrophobicContact CE2-CE1 3.72Å; F58-F85 HydrophobicContact CE2-CZ 4.28Å; F58-F85 HydrophobicContact CG-CE1 4.32Å; F58-F85 HydrophobicContact CG-CZ 4.16Å; F58-F85 AromaticContact CZ-CE1 3.83Å; F58-F85 HydrophobicContact CZ-CE1 3.83Å; F58-F85 HydrophobicContact CZ-CZ 4.13Å; F58-V97 HydrophobicContact CE1-CB 4.18Å; F58-V97 HydrophobicContact CE1-CG1 3.46Å; F58-V97 VanDerWaalsContact CE1-CG1 3.46Å; F58-V97 HydrophobicContact CZ-CB 3.77Å; F58-V97 HydrophobicContact CZ-CG1 3.59Å
59	T	92.3	Very high	92	Very high	40 Å²	40	66.5 Å²	66.5	25%	0.245	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	124.9	176.7	-59.1	0	0	0	0	110.7	T61 R95 M96 V97	T59-T61 HydrophobicContact CG2-CG2 4.11Å; T59-R95 PolarHBondContact N-O 2.95Å; T59-M96 WeakPolarHBondContact O-CA 3.33Å; T59-V97 PolarHBondContact O-N 3.01Å; T59-V97 VanDerWaalsContact O-N 3.09Å
60	I	93.1	Very high	92	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.4	171.1	-61.3	169.2	0	0	0	107.9	F58 V62 F67 L74 F81 V97 L99 V107 L111	F58-I60 HydrophobicContact CD1-CG1 4.28Å; F58-I60 HydrophobicContact CE1-CG1 4.15Å; I60-V62 HydrophobicContact CG2-CG2 3.93Å; I60-F67 HydrophobicContact CB-CB 4.38Å; I60-F67 PolarHBondContact N-O 3.39Å; I60-F67 PolarHBondContact O-N 2.89Å; I60-L74 HydrophobicContact CD1-CD1 3.94Å; I60-L74 HydrophobicContact CD1-CD2 4.19Å; I60-L74 HydrophobicContact CG1-CD1 4.45Å; I60-F81 HydrophobicContact CD1-CE1 4.42Å; I60-F81 HydrophobicContact CD1-CE2 4.19Å; I60-F81 HydrophobicContact CD1-CZ 3.69Å; I60-F81 HydrophobicContact CG1-CZ 4.26Å; I60-V97 HydrophobicContact CG1-CG1 4.08Å; I60-L99 HydrophobicContact CG2-CD1 3.69Å; I60-L99 HydrophobicContact CG2-CG 3.95Å; I60-V107 HydrophobicContact CG2-CG1 4.16Å; I60-L111 HydrophobicContact CD1-CD2 4.37Å
61	T	91.6	Very high	91.9	Very high	8 Å²	8	65.4 Å²	65.4	5%	0.049	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	174	60	0	0	0	0	111	T59 Q65 T66 M96 V97 T98 L99	T59-T61 HydrophobicContact CG2-CG2 4.11Å; T61-Q65 WeakPolarHBondContact CA-O 3.26Å; T61-T66 HydrophobicContact CG2-CG2 3.6Å; T61-M96 HydrophobicContact CG2-CE 3.21Å; T61-M96 HydrophobicContact CG2-CG 3.93Å; T61-M96 HydrophobicContact CG2-SD 3.61Å; T61-M96 WeakPolarHBondContact OG1-CE 3.44Å; T61-V97 PolarHBondContact N-O 3.48Å; T61-V97 PolarHBondContact OG1-O 3.01Å; T61-T98 CarbonylContact O-C 3.58Å; T61-T98 VanDerWaalsContact O-CA 3.31Å; T61-T98 WeakPolarHBondContact O-CA 3.39Å; T61-T98 WeakPolarHBondContact OG1-CA 3.38Å; T61-T98 PolarHBondContact OG1-OG1 3.26Å; T61-T98 VanDerWaalsContact OG1-OG1 3.14Å; T61-L99 PolarHBondContact O-N 3.22Å
62	V	91.8	Very high	91.9	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	115.9	-177.4	-170	0	0	0	0	106.7	I60 D64 Q65 F67 L99 Q102 P104 V107	I60-V62 HydrophobicContact CG2-CG2 3.93Å; V62-D64 PolarHBondContact O-N 3.04Å; V62-D64 VanDerWaalsContact O-N 3.16Å; V62-Q65 PolarHBondContact N-O 3.48Å; V62-Q65 PolarHBondContact O-N 2.91Å; V62-F67 HydrophobicContact CB-CE2 4.29Å; V62-F67 HydrophobicContact CG2-CD2 4.22Å; V62-F67 HydrophobicContact CG2-CE2 4.06Å; V62-L99 HydrophobicContact CG2-CB 4.28Å; V62-Q102 HydrophobicContact CG1-CB 4.34Å; V62-Q102 WeakPolarHBondContact CG1-O 3.11Å; V62-P104 HydrophobicContact CG1-CG 4.12Å; V62-V107 HydrophobicContact CG2-CB 4.08Å; V62-V107 HydrophobicContact CG2-CG1 4.07Å; V62-V107 HydrophobicContact CG2-CG2 3.79Å
63	Q	86.9	Confident	91.9	Very high	135 Å²	135	55.2 Å²	55.2	63%	0.631	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	-120.2	-172	-55.3	173.6	-2.2	0	0	110.3
64	D	86.1	Confident	92	Very high	167 Å²	167	53.1 Å²	53.1	89%	0.893	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	3.6	178.8	-62.1	-37.4	0	0	0	113.7	V62	V62-D64 PolarHBondContact O-N 3.04Å; V62-D64 VanDerWaalsContact O-N 3.16Å
65	Q	92.6	Very high	92.1	Very high	87 Å²	87	51 Å²	51	41%	0.407	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143	-178.2	-63.1	-171.4	38.7	0	0	111.9	T61 V62 F67 P104	T61-Q65 WeakPolarHBondContact CA-O 3.26Å; V62-Q65 PolarHBondContact N-O 3.48Å; V62-Q65 PolarHBondContact O-N 2.91Å; Q65-F67 HydrophobicContact CB-CE2 3.81Å; Q65-F67 HydrophobicContact CB-CZ 3.99Å; Q65-P104 HydrophobicContact CB-CB 4.42Å; Q65-P104 HydrophobicContact CG-CB 4.33Å
66	T	92.9	Very high	92.2	Very high	98 Å²	98	49.2 Å²	49.2	60%	0.601	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.1	179.6	67.1	0	0	0	0	110.6	T61	T61-T66 HydrophobicContact CG2-CG2 3.6Å
67	F	94.5	Very high	92.2	Very high	23 Å²	23	48.2 Å²	48.2	10%	0.101	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	97.4	-174.7	-59.8	-84	0	0	0	109.9	I60 V62 Q65 C69 P104 V107 R108 L111	I60-F67 HydrophobicContact CB-CB 4.38Å; I60-F67 PolarHBondContact N-O 3.39Å; I60-F67 PolarHBondContact O-N 2.89Å; V62-F67 HydrophobicContact CB-CE2 4.29Å; V62-F67 HydrophobicContact CG2-CD2 4.22Å; V62-F67 HydrophobicContact CG2-CE2 4.06Å; Q65-F67 HydrophobicContact CB-CE2 3.81Å; Q65-F67 HydrophobicContact CB-CZ 3.99Å; F67-C69 PolarHBondContact O-SG 3.16Å; F67-P104 HydrophobicContact CE2-CB 4.46Å; F67-P104 HydrophobicContact CZ-CB 4.22Å; F67-V107 HydrophobicContact CD2-CG1 4.06Å; F67-V107 HydrophobicContact CE2-CG1 4.3Å; F67-V107 HydrophobicContact CG-CG1 4.44Å; F67-R108 HydrophobicContact CE1-CB 4.08Å; F67-R108 HydrophobicContact CE1-CG 4.49Å; F67-L111 HydrophobicContact CB-CD1 3.59Å; F67-L111 HydrophobicContact CD1-CD1 4.05Å; F67-L111 HydrophobicContact CG-CD1 3.97Å
68	P	94	Very high	92.4	Very high	53 Å²	53	45 Å²	45	34%	0.344	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	137.8	176.2	32.5	-35.9	0	0	0	110.7	F56	F56-P68 HydrophobicContact CB-CB 4.26Å; F56-P68 HydrophobicContact CD1-CB 4.45Å; F56-P68 HydrophobicContact CD2-CB 3.48Å; F56-P68 VanDerWaalsContact CD2-CB 3.48Å; F56-P68 HydrophobicContact CD2-CG 3.9Å; F56-P68 WeakPolarHBondContact CE1-O 3.01Å; F56-P68 HydrophobicContact CE2-CB 3.7Å; F56-P68 HydrophobicContact CE2-CG 3.59Å; F56-P68 HydrophobicContact CG-CB 3.85Å; F56-P68 HydrophobicContact CZ-CB 4.32Å; F56-P68 HydrophobicContact CZ-CG 4.17Å
69	C	94.8	Very high	92.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	174.9	-169.5	49.4	0	0	0	0	112.4	D57 F58 F67 L74 L111	D57-C69 PolarHBondContact N-O 3.04Å; F58-C69 PolarHBondContact N-O 3.03Å; F58-C69 PolarHBondContact O-N 3.25Å; F58-C69 VanDerWaalsContact O-O 3.1Å; F67-C69 PolarHBondContact O-SG 3.16Å; C69-L74 HydrophobicContact CB-CD1 4.43Å; C69-L111 HydrophobicContact CB-CD2 4.21Å
70	H	94.2	Very high	92.5	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.037	27%	0.272	C	S	.	.			trans	-103.2	127.3	179.6	-52	92.9	0	0	0	111.3	L54 L55 F56 D57 C72 V73 L74 Y115	L54-H70 PolarHBondContact O-NE2 3.28Å; L55-H70 PolarHBondContact O-CD2 3.32Å; F56-H70 AromaticContact CD1-CE1 3.72Å; F56-H70 AromaticContact CD1-NE2 3.87Å; F56-H70 AromaticContact CE1-CE1 3.67Å; D57-H70 VanDerWaalsContact OD1-CA 3.23Å; D57-H70 WeakPolarHBondContact OD1-CA 3.35Å; H70-C72 VanDerWaalsContact C-N 3.31Å; H70-C72 PolarHBondContact O-N 3.4Å; H70-V73 HydrophobicContact CB-CB 4.3Å; H70-V73 HydrophobicContact CB-CG2 3.94Å; H70-V73 PolarHBondContact O-N 2.94Å; H70-L74 PolarHBondContact O-N 3.21Å; H70-Y115 PolarHBondContact N-OH 3.45Å; H70-Y115 VanDerWaalsContact N-OH 3.12Å; H70-Y115 AromaticContact ND1-CE1 3.44Å; H70-Y115 WeakPolarHBondContact ND1-CE1 3.23Å; H70-Y115 AromaticContact ND1-CZ 3.51Å; H70-Y115 PolarHBondContact ND1-OH 3.06Å
71	R	91.3	Very high	92.4	Very high	77 Å²	77	48.2 Å²	48.2	29%	0.291	27%	0.272	S	S	.	.	H	α-helix	trans	-56.5	-43.1	179.3	-66.2	178.8	73.7	-178.6	2.5	112.4	D57 F58 V73 L74 A75 F85	D57-R71 WeakPolarHBondContact OD1-CG 3.34Å; D57-R71 PolarHBondContact OD1-N 2.95Å; F58-R71 HydrophobicContact CB-CG 3.66Å; F58-R71 HydrophobicContact CD2-CG 4.2Å; F58-R71 HydrophobicContact CG-CG 4.07Å; R71-V73 VanDerWaalsContact C-N 3.34Å; R71-V73 PolarHBondContact O-N 2.64Å; R71-L74 PolarHBondContact O-N 3.45Å; R71-A75 WeakPolarHBondContact O-CB 3.32Å; R71-A75 PolarHBondContact O-N 3.38Å; R71-F85 HydrophobicContact CB-CD2 4.13Å; R71-F85 HydrophobicContact CB-CE1 4.48Å; R71-F85 HydrophobicContact CB-CE2 3.78Å; R71-F85 HydrophobicContact CB-CZ 3.97Å; R71-F85 HydrophobicContact CG-CE1 3.96Å; R71-F85 HydrophobicContact CG-CE2 4.1Å; R71-F85 HydrophobicContact CG-CZ 3.75Å; R71-F85 VanDerWaalsContact NE-CD1 3.29Å; R71-F85 VanDerWaalsContact NH2-CD1 3.26Å; R71-F85 WeakPolarHBondContact O-CE2 3.46Å
72	C	90.9	Very high	92.4	Very high	83 Å²	83	53.1 Å²	53.1	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-63.8	-38	-177.7	59.4	0	0	0	0	112.7	H70 A76	H70-C72 VanDerWaalsContact C-N 3.31Å; H70-C72 PolarHBondContact O-N 3.4Å; C72-A76 WeakPolarHBondContact O-CB 3.42Å; C72-A76 PolarHBondContact O-N 2.93Å
73	V	93.8	Very high	92.3	Very high	8 Å²	8	54.7 Å²	54.7	5%	0.048	30%	0.303	C	S	.	.	H	α-helix	trans	-69.1	-44.5	177.4	179.6	0	0	0	0	110.1	L46 H70 R71 A76 C77 C114 Y115	L46-V73 HydrophobicContact CD1-CG2 4.04Å; L46-V73 HydrophobicContact CD2-CG2 4.12Å; H70-V73 HydrophobicContact CB-CB 4.3Å; H70-V73 HydrophobicContact CB-CG2 3.94Å; H70-V73 PolarHBondContact O-N 2.94Å; R71-V73 VanDerWaalsContact C-N 3.34Å; R71-V73 PolarHBondContact O-N 2.64Å; V73-A76 PolarHBondContact O-N 2.77Å; V73-C77 PolarHBondContact O-N 3.15Å; V73-C77 VanDerWaalsContact O-N 3.15Å; V73-C77 PolarHBondContact O-SG 3.47Å; V73-C77 VanDerWaalsContact O-SG 3.39Å; V73-C114 HydrophobicContact CG1-CB 3.97Å; V73-Y115 HydrophobicContact CB-CE1 4.48Å; V73-Y115 HydrophobicContact CB-CE2 4.35Å; V73-Y115 HydrophobicContact CG1-CD2 4.08Å; V73-Y115 HydrophobicContact CG1-CE1 4.22Å; V73-Y115 HydrophobicContact CG1-CE2 3.71Å; V73-Y115 HydrophobicContact CG2-CE1 4.11Å
74	L	93.8	Very high	92.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-46.3	176.4	-68.8	179.3	0	0	0	112.2	F58 I60 C69 H70 R71 A76 C77 S78 F81 F85 F110 L111	F58-L74 HydrophobicContact CD1-CD1 3.89Å; F58-L74 HydrophobicContact CE1-CD1 4.4Å; I60-L74 HydrophobicContact CD1-CD1 3.94Å; I60-L74 HydrophobicContact CD1-CD2 4.19Å; I60-L74 HydrophobicContact CG1-CD1 4.45Å; C69-L74 HydrophobicContact CB-CD1 4.43Å; H70-L74 PolarHBondContact O-N 3.21Å; R71-L74 PolarHBondContact O-N 3.45Å; L74-A76 VanDerWaalsContact C-N 3.27Å; L74-A76 PolarHBondContact O-N 2.92Å; L74-C77 PolarHBondContact O-N 3.18Å; L74-S78 WeakPolarHBondContact O-CB 3.44Å; L74-S78 PolarHBondContact O-N 3.3Å; L74-F81 HydrophobicContact CB-CB 3.94Å; L74-F81 HydrophobicContact CB-CD2 3.95Å; L74-F81 HydrophobicContact CB-CG 3.96Å; L74-F81 HydrophobicContact CD1-CD1 4.38Å; L74-F81 HydrophobicContact CD1-CD2 4.37Å; L74-F81 HydrophobicContact CD1-CE1 4.46Å; L74-F81 HydrophobicContact CD1-CE2 4.43Å; L74-F81 HydrophobicContact CD1-CG 4.35Å; L74-F81 HydrophobicContact CD1-CZ 4.49Å; L74-F81 HydrophobicContact CD2-CD2 4.08Å; L74-F81 HydrophobicContact CD2-CE2 4.08Å; L74-F81 HydrophobicContact CG-CD2 4.37Å; L74-F85 HydrophobicContact CB-CE2 4.11Å; L74-F85 HydrophobicContact CD1-CZ 4.36Å; L74-F110 HydrophobicContact CD2-CE1 3.77Å; L74-F110 HydrophobicContact CD2-CZ 4.13Å; L74-L111 HydrophobicContact CD2-CD2 3.81Å
75	A	92.4	Very high	92.3	Very high	22 Å²	22	42.1 Å²	42.1	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-34.2	177.9	0	0	0	0	0	112.7	R71 C77 R82 F85	R71-A75 WeakPolarHBondContact O-CB 3.32Å; R71-A75 PolarHBondContact O-N 3.38Å; A75-C77 VanDerWaalsContact C-N 3.34Å; A75-R82 HydrophobicContact CB-CB 4.3Å; A75-F85 HydrophobicContact CB-CD2 4.07Å
76	A	92.5	Very high	91.8	Very high	87 Å²	87	44.8 Å²	44.8	72%	0.719	25%	0.251	S	S	*	.	H	α-helix	trans	-71.5	-29.4	177.1	0	0	0	0	0	112.7	C72 V73 L74	C72-A76 WeakPolarHBondContact O-CB 3.42Å; C72-A76 PolarHBondContact O-N 2.93Å; V73-A76 PolarHBondContact O-N 2.77Å; L74-A76 VanDerWaalsContact C-N 3.27Å; L74-A76 PolarHBondContact O-N 2.92Å
77	C	93.8	Very high	90.7	Very high	44 Å²	44	44.8 Å²	44.8	30%	0.297	25%	0.247	S	C	.	.	H	α-helix	trans	-101.5	-15.4	-174.3	-64.5	0	0	0	0	114.6	V73 L74 A75 C114	V73-C77 PolarHBondContact O-N 3.15Å; V73-C77 VanDerWaalsContact O-N 3.15Å; V73-C77 PolarHBondContact O-SG 3.47Å; V73-C77 VanDerWaalsContact O-SG 3.39Å; L74-C77 PolarHBondContact O-N 3.18Å; A75-C77 VanDerWaalsContact C-N 3.34Å; C77-C114 HydrophobicContact CB-CB 4.39Å; C77-C114 VanDerWaalsContact CB-SG 3.56Å
78	S	95.6	Very high	89.1	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.014	28%	0.283	C	S	.	.			trans	-142	121.8	-171.8	162.3	0	0	0	0	111.2	L74 F80 F81 R82 L136	L74-S78 WeakPolarHBondContact O-CB 3.44Å; L74-S78 PolarHBondContact O-N 3.3Å; S78-F80 VanDerWaalsContact C-N 3.26Å; S78-F80 PolarHBondContact O-N 3.15Å; S78-F80 PolarHBondContact OG-N 3.14Å; S78-F81 PolarHBondContact O-N 3.49Å; S78-F81 WeakPolarHBondContact OG-CD2 3.48Å; S78-F81 PolarHBondContact OG-N 3Å; S78-R82 PolarHBondContact O-N 3.33Å; S78-L136 WeakPolarHBondContact CB-O 3.48Å; S78-L136 PolarHBondContact OG-O 3.25Å
79	D	93.5	Very high	87.5	Confident	55 Å²	55	53.6 Å²	53.6	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-66.3	-31.4	177.5	-67.6	-40.1	0	0	0	111.7	R82 A83 Q137	D79-R82 PolarHBondContact O-N 2.79Å; D79-R82 IonicContact OD1-CZ 3.38Å; D79-R82 IonicContact OD1-NE 3.13Å; D79-R82 IonicContact OD1-NH1 3.04Å; D79-R82 IonicContact OD1-NH2 2.91Å; D79-R82 PolarHBondContact OD1-NH2 3.22Å; D79-A83 VanDerWaalsContact O-CB 3.31Å; D79-A83 WeakPolarHBondContact O-CB 3.36Å; D79-A83 PolarHBondContact O-N 2.98Å; D79-Q137 HydrophobicContact CB-CB 3.88Å; D79-Q137 PolarHBondContact N-O 3.39Å
80	F	92.5	Very high	85.6	Confident	56 Å²	56	65 Å²	65	25%	0.246	33%	0.333	C	S	.	.	H	α-helix	trans	-58.1	-52.5	172	174.4	-90.1	0	0	0	111.5	S78 A83 M84 F135 L136	S78-F80 VanDerWaalsContact C-N 3.26Å; S78-F80 PolarHBondContact O-N 3.15Å; S78-F80 PolarHBondContact OG-N 3.14Å; F80-A83 PolarHBondContact O-N 3.37Å; F80-M84 HydrophobicContact CE1-SD 4.2Å; F80-M84 WeakPolarHBondContact O-CB 3.38Å; F80-M84 PolarHBondContact O-N 2.92Å; F80-F135 HydrophobicContact CE2-CZ 4.31Å; F80-F135 HydrophobicContact CZ-CE1 4.47Å; F80-F135 HydrophobicContact CZ-CZ 4.33Å; F80-L136 WeakPolarHBondContact CB-O 3.42Å; F80-L136 HydrophobicContact CD1-CD2 3.82Å; F80-L136 HydrophobicContact CE1-CD2 4.27Å; F80-L136 HydrophobicContact CG-CD2 4.32Å
81	F	91.9	Very high	83.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-69.4	-36.3	-179.8	-75.4	-57.8	0	0	0	112.2	F58 I60 L74 S78 M84 F85 V97 F110 L136	F58-F81 HydrophobicContact CE1-CE1 4.4Å; I60-F81 HydrophobicContact CD1-CE1 4.42Å; I60-F81 HydrophobicContact CD1-CE2 4.19Å; I60-F81 HydrophobicContact CD1-CZ 3.69Å; I60-F81 HydrophobicContact CG1-CZ 4.26Å; L74-F81 HydrophobicContact CB-CB 3.94Å; L74-F81 HydrophobicContact CB-CD2 3.95Å; L74-F81 HydrophobicContact CB-CG 3.96Å; L74-F81 HydrophobicContact CD1-CD1 4.38Å; L74-F81 HydrophobicContact CD1-CD2 4.37Å; L74-F81 HydrophobicContact CD1-CE1 4.46Å; L74-F81 HydrophobicContact CD1-CE2 4.43Å; L74-F81 HydrophobicContact CD1-CG 4.35Å; L74-F81 HydrophobicContact CD1-CZ 4.49Å; L74-F81 HydrophobicContact CD2-CD2 4.08Å; L74-F81 HydrophobicContact CD2-CE2 4.08Å; L74-F81 HydrophobicContact CG-CD2 4.37Å; S78-F81 PolarHBondContact O-N 3.49Å; S78-F81 WeakPolarHBondContact OG-CD2 3.48Å; S78-F81 PolarHBondContact OG-N 3Å; F81-M84 HydrophobicContact CD1-CE 3.64Å; F81-M84 HydrophobicContact CD1-SD 4.24Å; F81-M84 HydrophobicContact CE1-CE 4.05Å; F81-M84 HydrophobicContact CE1-SD 4.46Å; F81-M84 PolarHBondContact O-N 3.44Å; F81-F85 HydrophobicContact CB-CD2 4.38Å; F81-F85 HydrophobicContact CB-CE2 3.93Å; F81-F85 HydrophobicContact CD1-CE2 4.47Å; F81-F85 HydrophobicContact CD1-CZ 4.26Å; F81-F85 WeakPolarHBondContact O-CD2 3.44Å; F81-F85 VanDerWaalsContact O-CG 3.23Å; F81-F85 WeakPolarHBondContact O-CG 3.35Å; F81-F85 PolarHBondContact O-N 3.48Å; F81-V97 HydrophobicContact CE1-CG1 4.16Å; F81-F110 HydrophobicContact CD2-CE1 4.49Å; F81-F110 HydrophobicContact CD2-CZ 4.39Å; F81-F110 AromaticContact CE2-CE1 3.94Å; F81-F110 HydrophobicContact CE2-CE1 3.94Å; F81-F110 HydrophobicContact CE2-CZ 4.24Å; F81-L136 HydrophobicContact CD2-CD2 4.46Å; F81-L136 HydrophobicContact CE2-CD1 4Å; F81-L136 HydrophobicContact CE2-CD2 3.71Å; F81-L136 HydrophobicContact CE2-CG 4.42Å; F81-L136 HydrophobicContact CZ-CD2 3.91Å
82	R	91.1	Very high	82	Confident	110 Å²	110	66.8 Å²	66.8	42%	0.415	35%	0.349	S	S	.	.	H	α-helix	trans	-57.7	-51.9	173.1	-171.3	173.5	66	-158.9	-6.1	110.9	A75 S78 D79 M84 F85 E86	A75-R82 HydrophobicContact CB-CB 4.3Å; S78-R82 PolarHBondContact O-N 3.33Å; D79-R82 PolarHBondContact O-N 2.79Å; D79-R82 IonicContact OD1-CZ 3.38Å; D79-R82 IonicContact OD1-NE 3.13Å; D79-R82 IonicContact OD1-NH1 3.04Å; D79-R82 IonicContact OD1-NH2 2.91Å; D79-R82 PolarHBondContact OD1-NH2 3.22Å; R82-M84 VanDerWaalsContact C-N 3.33Å; R82-M84 PolarHBondContact O-N 2.96Å; R82-F85 PolarHBondContact O-N 3.2Å; R82-E86 VanDerWaalsContact CG-CD 3.48Å; R82-E86 HydrophobicContact CG-CG 4.27Å; R82-E86 VanDerWaalsContact CG-OE1 3.26Å; R82-E86 WeakPolarHBondContact CG-OE1 3.38Å; R82-E86 WeakPolarHBondContact O-CB 3.45Å; R82-E86 WeakPolarHBondContact O-CG 3.5Å; R82-E86 PolarHBondContact O-N 3.3Å
83	A	88.9	Confident	80.2	Confident	34 Å²	34	66.2 Å²	66.2	28%	0.281	36%	0.356	S	S	.	.	H	α-helix	trans	-60.4	-41.9	177.3	0	0	0	0	0	112.1	D79 F80 F85 E86 L87	D79-A83 VanDerWaalsContact O-CB 3.31Å; D79-A83 WeakPolarHBondContact O-CB 3.36Å; D79-A83 PolarHBondContact O-N 2.98Å; F80-A83 PolarHBondContact O-N 3.37Å; A83-F85 VanDerWaalsContact C-N 3.28Å; A83-F85 PolarHBondContact O-N 3.36Å; A83-E86 PolarHBondContact O-N 3.01Å; A83-L87 HydrophobicContact CB-CD1 4.11Å; A83-L87 VanDerWaalsContact O-CB 3.23Å; A83-L87 WeakPolarHBondContact O-CB 3.41Å; A83-L87 WeakPolarHBondContact O-CG 3.41Å; A83-L87 PolarHBondContact O-N 3.15Å
84	M	86.9	Confident	78.8	Confident	10 Å²	10	71.1 Å²	71.1	5%	0.049	38%	0.382	C	S	.	.	H	α-helix	trans	-62.5	-32.4	177.9	-171.5	-174.7	80.6	0	0	113.1	F58 F80 F81 R82 E91 V97	F58-M84 HydrophobicContact CE1-CE 3.89Å; F58-M84 HydrophobicContact CE2-CE 4.1Å; F58-M84 HydrophobicContact CZ-CE 3.35Å; F80-M84 HydrophobicContact CE1-SD 4.2Å; F80-M84 WeakPolarHBondContact O-CB 3.38Å; F80-M84 PolarHBondContact O-N 2.92Å; F81-M84 HydrophobicContact CD1-CE 3.64Å; F81-M84 HydrophobicContact CD1-SD 4.24Å; F81-M84 HydrophobicContact CE1-CE 4.05Å; F81-M84 HydrophobicContact CE1-SD 4.46Å; F81-M84 PolarHBondContact O-N 3.44Å; R82-M84 VanDerWaalsContact C-N 3.33Å; R82-M84 PolarHBondContact O-N 2.96Å; M84-E91 HydrophobicContact CG-CB 4.36Å; M84-E91 HydrophobicContact SD-CB 4.47Å; M84-V97 HydrophobicContact SD-CB 4.47Å; M84-V97 HydrophobicContact SD-CG2 4.16Å
85	F	86.1	Confident	78.1	Confident	27 Å²	27	81 Å²	81	12%	0.118	42%	0.42	C	S	.	.	H	α-helix	trans	-91.6	-25.7	-179.6	-60.8	-38.8	0	0	0	114.2	F58 R71 L74 A75 F81 R82 A83	F58-F85 HydrophobicContact CD1-CE1 4.42Å; F58-F85 HydrophobicContact CD1-CZ 4.02Å; F58-F85 AromaticContact CD2-CE1 3.97Å; F58-F85 HydrophobicContact CD2-CE1 3.97Å; F58-F85 HydrophobicContact CD2-CZ 4.28Å; F58-F85 HydrophobicContact CE1-CE1 4.17Å; F58-F85 AromaticContact CE1-CZ 3.99Å; F58-F85 HydrophobicContact CE1-CZ 3.99Å; F58-F85 AromaticContact CE2-CE1 3.72Å; F58-F85 HydrophobicContact CE2-CE1 3.72Å; F58-F85 HydrophobicContact CE2-CZ 4.28Å; F58-F85 HydrophobicContact CG-CE1 4.32Å; F58-F85 HydrophobicContact CG-CZ 4.16Å; F58-F85 AromaticContact CZ-CE1 3.83Å; F58-F85 HydrophobicContact CZ-CE1 3.83Å; F58-F85 HydrophobicContact CZ-CZ 4.13Å; R71-F85 HydrophobicContact CB-CD2 4.13Å; R71-F85 HydrophobicContact CB-CE1 4.48Å; R71-F85 HydrophobicContact CB-CE2 3.78Å; R71-F85 HydrophobicContact CB-CZ 3.97Å; R71-F85 HydrophobicContact CG-CE1 3.96Å; R71-F85 HydrophobicContact CG-CE2 4.1Å; R71-F85 HydrophobicContact CG-CZ 3.75Å; R71-F85 VanDerWaalsContact NE-CD1 3.29Å; R71-F85 VanDerWaalsContact NH2-CD1 3.26Å; R71-F85 WeakPolarHBondContact O-CE2 3.46Å; L74-F85 HydrophobicContact CB-CE2 4.11Å; L74-F85 HydrophobicContact CD1-CZ 4.36Å; A75-F85 HydrophobicContact CB-CD2 4.07Å; F81-F85 HydrophobicContact CB-CD2 4.38Å; F81-F85 HydrophobicContact CB-CE2 3.93Å; F81-F85 HydrophobicContact CD1-CE2 4.47Å; F81-F85 HydrophobicContact CD1-CZ 4.26Å; F81-F85 WeakPolarHBondContact O-CD2 3.44Å; F81-F85 VanDerWaalsContact O-CG 3.23Å; F81-F85 WeakPolarHBondContact O-CG 3.35Å; F81-F85 PolarHBondContact O-N 3.48Å; R82-F85 PolarHBondContact O-N 3.2Å; A83-F85 VanDerWaalsContact C-N 3.28Å; A83-F85 PolarHBondContact O-N 3.36Å
86	E	82.3	Confident	77.8	Confident	143 Å²	143	84.4 Å²	84.4	67%	0.668	43%	0.433	S	S	*	.	H	α-helix	trans	-91.2	-33.3	-179.2	-71.3	178.6	179.3	0	0	113.1	R82 A83	R82-E86 VanDerWaalsContact CG-CD 3.48Å; R82-E86 HydrophobicContact CG-CG 4.27Å; R82-E86 VanDerWaalsContact CG-OE1 3.26Å; R82-E86 WeakPolarHBondContact CG-OE1 3.38Å; R82-E86 WeakPolarHBondContact O-CB 3.45Å; R82-E86 WeakPolarHBondContact O-CG 3.5Å; R82-E86 PolarHBondContact O-N 3.3Å; A83-E86 PolarHBondContact O-N 3.01Å
87	L	70.4	Confident	77.6	Confident	98 Å²	98	81 Å²	81	51%	0.513	40%	0.403	S	S	.	.	S	Bend	trans	-90.6	130.8	176	-57.4	168.6	0	0	0	108	A83 M89	A83-L87 HydrophobicContact CB-CD1 4.11Å; A83-L87 VanDerWaalsContact O-CB 3.23Å; A83-L87 WeakPolarHBondContact O-CB 3.41Å; A83-L87 WeakPolarHBondContact O-CG 3.41Å; A83-L87 PolarHBondContact O-N 3.15Å; L87-M89 HydrophobicContact CB-CG 4.31Å; L87-M89 HydrophobicContact CD1-CE 4.24Å; L87-M89 PolarHBondContact O-N 3.09Å
88	D	60.2	Low	77.4	Confident	161 Å²	161	83.4 Å²	83.4	86%	0.861	42%	0.416	S	S	*	.			trans	-64.7	64.5	176.5	-101.1	-21.8	0	0	0	111.9
89	M	61.2	Low	77.1	Confident	101 Å²	101	83.6 Å²	83.6	50%	0.498	42%	0.417	S	S	.	.			trans	-77.4	162.6	169.4	-62.1	-132	-171.3	0	0	109.7	L87 E91 C92	L87-M89 HydrophobicContact CB-CG 4.31Å; L87-M89 HydrophobicContact CD1-CE 4.24Å; L87-M89 PolarHBondContact O-N 3.09Å; M89-E91 PolarHBondContact O-N 3.43Å; M89-E91 VanDerWaalsContact O-N 3.08Å; M89-C92 WeakPolarHBondContact O-CB 3.48Å; M89-C92 PolarHBondContact O-N 3.1Å
90	R	53.5	Low	76.3	Confident	239 Å²	239	83.6 Å²	83.6	90%	0.902	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-54.9	-31.1	-179.6	-108.1	179.2	175	171.7	-1.8	112.4	C92	R90-C92 VanDerWaalsContact C-N 3.32Å; R90-C92 PolarHBondContact O-N 3.38Å
91	E	56.8	Low	75.8	Confident	85 Å²	85	87.8 Å²	87.8	40%	0.397	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-77.2	-8.1	178.4	-64.2	78.6	-173.7	0	0	114.1	M84 M89 G93 D94	M84-E91 HydrophobicContact CG-CB 4.36Å; M84-E91 HydrophobicContact SD-CB 4.47Å; M89-E91 PolarHBondContact O-N 3.43Å; M89-E91 VanDerWaalsContact O-N 3.08Å; E91-G93 PolarHBondContact O-N 3.32Å; E91-D94 PolarHBondContact O-N 3.33Å
92	C	52.8	Low	75.7	Confident	38 Å²	38	88.4 Å²	88.4	26%	0.257	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-64.9	-26	177.6	-173.1	0	0	0	0	112.2	M89 R90	M89-C92 WeakPolarHBondContact O-CB 3.48Å; M89-C92 PolarHBondContact O-N 3.1Å; R90-C92 VanDerWaalsContact C-N 3.32Å; R90-C92 PolarHBondContact O-N 3.38Å
93	G	54.5	Low	75.6	Confident	70 Å²	70	84.6 Å²	84.6	72%	0.722	45%	0.448	S	S	*	.	S	Bend	trans	-88.2	-19.7	176.7	0	0	0	0	0	115.1	E91	E91-G93 PolarHBondContact O-N 3.32Å
94	D	64.6	Low	75.8	Confident	111 Å²	111	83.2 Å²	83.2	59%	0.594	44%	0.436	S	S	*	.			trans	-94.8	132.1	-176.3	-84.4	-25.2	0	0	0	110.9	E91 M96	E91-D94 PolarHBondContact O-N 3.33Å; D94-M96 PolarHBondContact O-N 3.43Å
95	R	79.2	Confident	76.1	Confident	208 Å²	208	87.2 Å²	87.2	79%	0.785	46%	0.455	S	S	*	.	S	Bend	trans	-76	13.9	177.5	-64.9	-174.1	-180	-174.8	-1.5	113.1	T59	T59-R95 PolarHBondContact N-O 2.95Å
96	M	84.6	Confident	76.4	Confident	94 Å²	94	86 Å²	86	46%	0.463	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	143.1	-169.9	179.3	166	145.2	0	0	111.8	T59 T61 D94	T59-M96 WeakPolarHBondContact O-CA 3.33Å; T61-M96 HydrophobicContact CG2-CE 3.21Å; T61-M96 HydrophobicContact CG2-CG 3.93Å; T61-M96 HydrophobicContact CG2-SD 3.61Å; T61-M96 WeakPolarHBondContact OG1-CE 3.44Å; D94-M96 PolarHBondContact O-N 3.43Å
97	V	89.1	Confident	77	Confident	15 Å²	15	79.1 Å²	79.1	9%	0.091	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.6	172.6	67	0	0	0	0	110.8	F58 T59 I60 T61 F81 M84 L99	F58-V97 HydrophobicContact CE1-CB 4.18Å; F58-V97 HydrophobicContact CE1-CG1 3.46Å; F58-V97 VanDerWaalsContact CE1-CG1 3.46Å; F58-V97 HydrophobicContact CZ-CB 3.77Å; F58-V97 HydrophobicContact CZ-CG1 3.59Å; T59-V97 PolarHBondContact O-N 3.01Å; T59-V97 VanDerWaalsContact O-N 3.09Å; I60-V97 HydrophobicContact CG1-CG1 4.08Å; T61-V97 PolarHBondContact N-O 3.48Å; T61-V97 PolarHBondContact OG1-O 3.01Å; F81-V97 HydrophobicContact CE1-CG1 4.16Å; M84-V97 HydrophobicContact SD-CB 4.47Å; M84-V97 HydrophobicContact SD-CG2 4.16Å; V97-L99 HydrophobicContact CG2-CD2 4.28Å
98	T	88.7	Confident	78.1	Confident	94 Å²	94	80.1 Å²	80.1	58%	0.577	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.6	177.7	-51.1	0	0	0	0	110.9	T61	T61-T98 CarbonylContact O-C 3.58Å; T61-T98 VanDerWaalsContact O-CA 3.31Å; T61-T98 WeakPolarHBondContact O-CA 3.39Å; T61-T98 WeakPolarHBondContact OG1-CA 3.38Å; T61-T98 PolarHBondContact OG1-OG1 3.26Å; T61-T98 VanDerWaalsContact OG1-OG1 3.14Å
99	L	89.3	Confident	79.7	Confident	7 Å²	7	73.4 Å²	73.4	4%	0.037	38%	0.38	C	S	.	.			trans	-98.1	92.4	174.9	-53.9	-177.4	0	0	0	109.4	I60 T61 V62 V97 N101 Q102 V107 F135 L136	I60-L99 HydrophobicContact CG2-CD1 3.69Å; I60-L99 HydrophobicContact CG2-CG 3.95Å; T61-L99 PolarHBondContact O-N 3.22Å; V62-L99 HydrophobicContact CG2-CB 4.28Å; V97-L99 HydrophobicContact CG2-CD2 4.28Å; L99-N101 PolarHBondContact O-N 3.44Å; L99-Q102 HydrophobicContact CB-CB 4.39Å; L99-Q102 HydrophobicContact CB-CG 4.17Å; L99-V107 HydrophobicContact CD1-CG2 4.25Å; L99-F135 HydrophobicContact CD2-CE1 3.93Å; L99-F135 HydrophobicContact CD2-CZ 4.39Å; L99-L136 HydrophobicContact CD1-CD2 4.38Å
100	G	78.6	Confident	81.3	Confident	55 Å²	55	68.7 Å²	68.7	57%	0.567	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-29	-169.7	0	0	0	0	0	116.2
101	N	81.1	Confident	83.3	Confident	143 Å²	143	57.3 Å²	57.3	77%	0.765	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	23.6	-170.7	-65.8	-12	0	0	0	113.7	L99 Q131	L99-N101 PolarHBondContact O-N 3.44Å; N101-Q131 PolarHBondContact O-NE2 3.46Å
102	Q	89.2	Confident	85	Confident	13 Å²	13	56 Å²	56	6%	0.061	31%	0.309	C	S	.	.	S	Bend	trans	-118	152.5	-175.7	-58.8	-60.2	-24.5	0	0	111.3	V62 L99 V107 L132 F135	V62-Q102 HydrophobicContact CG1-CB 4.34Å; V62-Q102 WeakPolarHBondContact CG1-O 3.11Å; L99-Q102 HydrophobicContact CB-CB 4.39Å; L99-Q102 HydrophobicContact CB-CG 4.17Å; Q102-V107 HydrophobicContact CB-CG2 4.23Å; Q102-L132 HydrophobicContact CB-CD1 4.16Å; Q102-L132 HydrophobicContact CG-CD1 3.86Å; Q102-F135 HydrophobicContact CG-CD1 4.4Å
103	S	90.3	Very high	87	Confident	30 Å²	30	55.6 Å²	55.6	21%	0.21	30%	0.304	C	S	.	.			trans	-76.3	135	172.2	148.1	0	0	0	0	110.2	E105 A106 V107	S103-E105 PolarHBondContact O-N 2.98Å; S103-E105 WeakPolarHBondContact OG-CB 3.3Å; S103-E105 PolarHBondContact OG-N 2.59Å; S103-E105 VanDerWaalsContact OG-N 3.11Å; S103-E105 PolarHBondContact OG-OE2 2.8Å; S103-A106 PolarHBondContact O-N 3.49Å; S103-A106 PolarHBondContact OG-N 3.48Å; S103-A106 VanDerWaalsContact OG-N 3.15Å; S103-V107 PolarHBondContact O-N 2.87Å; S103-V107 VanDerWaalsContact O-N 3.13Å
104	P	92.4	Very high	88.9	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.032	27%	0.271	C	S	.	.	H	α-helix	trans	-57.8	-36.1	171.9	-24.2	34.1	0	0	0	112.9	V62 Q65 F67 V107 R108	V62-P104 HydrophobicContact CG1-CG 4.12Å; Q65-P104 HydrophobicContact CB-CB 4.42Å; Q65-P104 HydrophobicContact CG-CB 4.33Å; F67-P104 HydrophobicContact CE2-CB 4.46Å; F67-P104 HydrophobicContact CZ-CB 4.22Å; P104-V107 PolarHBondContact O-N 3.29Å; P104-R108 WeakPolarHBondContact O-CB 3.38Å; P104-R108 PolarHBondContact O-N 3.49Å
105	E	92.6	Very high	90.3	Very high	95 Å²	95	47.4 Å²	47.4	44%	0.444	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-44.1	176	-61.2	72.3	-155.7	0	0	111.5	S103 V107 R108 C109 M128	S103-E105 PolarHBondContact O-N 2.98Å; S103-E105 WeakPolarHBondContact OG-CB 3.3Å; S103-E105 PolarHBondContact OG-N 2.59Å; S103-E105 VanDerWaalsContact OG-N 3.11Å; S103-E105 PolarHBondContact OG-OE2 2.8Å; E105-V107 PolarHBondContact O-N 2.94Å; E105-R108 PolarHBondContact O-N 3.45Å; E105-C109 PolarHBondContact O-N 2.9Å; E105-C109 PolarHBondContact O-SG 3.21Å; E105-C109 VanDerWaalsContact O-SG 3.4Å; E105-M128 HydrophobicContact CB-CE 4.21Å; E105-M128 HydrophobicContact CB-SD 4.08Å
106	A	93.1	Very high	90.9	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-45.9	177.2	0	0	0	0	0	111.4	S103 R108 C109 F110 M128 L132	S103-A106 PolarHBondContact O-N 3.49Å; S103-A106 PolarHBondContact OG-N 3.48Å; S103-A106 VanDerWaalsContact OG-N 3.15Å; A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 3.18Å; A106-C109 PolarHBondContact O-N 3.46Å; A106-F110 WeakPolarHBondContact O-CB 3.28Å; A106-F110 PolarHBondContact O-N 3.31Å; A106-M128 HydrophobicContact CB-CB 4.01Å; A106-M128 HydrophobicContact CB-CG 4.03Å; A106-M128 HydrophobicContact CB-SD 3.89Å; A106-L132 VanDerWaalsContact C-CD2 3.48Å; A106-L132 HydrophobicContact CB-CB 4.33Å; A106-L132 HydrophobicContact CB-CD2 3.95Å; A106-L132 VanDerWaalsContact O-CD2 3.24Å; A106-L132 WeakPolarHBondContact O-CD2 3.34Å
107	V	94.4	Very high	91.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-38.7	178.4	173.2	0	0	0	0	111.3	I60 V62 F67 L99 Q102 S103 P104 E105 F110 L111 L132	I60-V107 HydrophobicContact CG2-CG1 4.16Å; V62-V107 HydrophobicContact CG2-CB 4.08Å; V62-V107 HydrophobicContact CG2-CG1 4.07Å; V62-V107 HydrophobicContact CG2-CG2 3.79Å; F67-V107 HydrophobicContact CD2-CG1 4.06Å; F67-V107 HydrophobicContact CE2-CG1 4.3Å; F67-V107 HydrophobicContact CG-CG1 4.44Å; L99-V107 HydrophobicContact CD1-CG2 4.25Å; Q102-V107 HydrophobicContact CB-CG2 4.23Å; S103-V107 PolarHBondContact O-N 2.87Å; S103-V107 VanDerWaalsContact O-N 3.13Å; P104-V107 PolarHBondContact O-N 3.29Å; E105-V107 PolarHBondContact O-N 2.94Å; V107-F110 PolarHBondContact O-N 3.42Å; V107-L111 HydrophobicContact CG1-CD1 4.15Å; V107-L111 HydrophobicContact CG1-CG 4.48Å; V107-L111 WeakPolarHBondContact O-CB 3.42Å; V107-L111 VanDerWaalsContact O-CG 3.32Å; V107-L111 WeakPolarHBondContact O-CG 3.45Å; V107-L111 PolarHBondContact O-N 2.92Å; V107-L132 HydrophobicContact CG2-CD1 3.9Å; V107-L132 HydrophobicContact CG2-CD2 4.37Å
108	R	93.8	Very high	91.3	Very high	119 Å²	119	43.1 Å²	43.1	45%	0.449	25%	0.246	S	C	.	.	H	α-helix	trans	-60.6	-48.4	173.3	-173.1	-179.2	64.1	77.6	-3.7	111.3	F67 P104 E105 A106 F110 L111 D112	F67-R108 HydrophobicContact CE1-CB 4.08Å; F67-R108 HydrophobicContact CE1-CG 4.49Å; P104-R108 WeakPolarHBondContact O-CB 3.38Å; P104-R108 PolarHBondContact O-N 3.49Å; E105-R108 PolarHBondContact O-N 3.45Å; A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 3.18Å; R108-F110 PolarHBondContact O-N 2.87Å; R108-L111 PolarHBondContact O-N 2.84Å; R108-D112 IonicContact NH1-OD2 3.14Å; R108-D112 PolarHBondContact NH1-OD2 3.22Å; R108-D112 WeakPolarHBondContact O-CB 3.35Å; R108-D112 PolarHBondContact O-N 3.26Å
109	C	94.1	Very high	91.4	Very high	20 Å²	20	41 Å²	41	14%	0.135	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-44.5	177.4	-73.7	0	0	0	0	111.9	E105 A106 L111 D112 F113 M119 L129	E105-C109 PolarHBondContact O-N 2.9Å; E105-C109 PolarHBondContact O-SG 3.21Å; E105-C109 VanDerWaalsContact O-SG 3.4Å; A106-C109 PolarHBondContact O-N 3.46Å; C109-L111 PolarHBondContact O-N 3.19Å; C109-D112 PolarHBondContact O-N 3.45Å; C109-F113 PolarHBondContact O-N 2.81Å; C109-M119 VanDerWaalsContact C-CE 3.47Å; C109-M119 HydrophobicContact CB-CE 3.78Å; C109-M119 HydrophobicContact CB-SD 4.31Å; C109-M119 WeakPolarHBondContact O-CE 3.32Å; C109-L129 HydrophobicContact CB-CD2 3.82Å
110	F	95.2	Very high	91.6	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-44.7	174.5	161.5	-106.9	0	0	0	112.5	L74 F81 A106 V107 R108 D112 F113 C114 L132 L136 V138	L74-F110 HydrophobicContact CD2-CE1 3.77Å; L74-F110 HydrophobicContact CD2-CZ 4.13Å; F81-F110 HydrophobicContact CD2-CE1 4.49Å; F81-F110 HydrophobicContact CD2-CZ 4.39Å; F81-F110 AromaticContact CE2-CE1 3.94Å; F81-F110 HydrophobicContact CE2-CE1 3.94Å; F81-F110 HydrophobicContact CE2-CZ 4.24Å; A106-F110 WeakPolarHBondContact O-CB 3.28Å; A106-F110 PolarHBondContact O-N 3.31Å; V107-F110 PolarHBondContact O-N 3.42Å; R108-F110 PolarHBondContact O-N 2.87Å; F110-D112 VanDerWaalsContact C-N 3.35Å; F110-F113 WeakPolarHBondContact O-CB 3.5Å; F110-F113 PolarHBondContact O-N 2.78Å; F110-C114 WeakPolarHBondContact CE2-SG 3.32Å; F110-C114 WeakPolarHBondContact CZ-SG 3.48Å; F110-C114 PolarHBondContact O-N 3.4Å; F110-C114 PolarHBondContact O-SG 3.05Å; F110-L132 HydrophobicContact CB-CD2 3.48Å; F110-L132 VanDerWaalsContact CB-CD2 3.48Å; F110-L132 HydrophobicContact CG-CD2 4.16Å; F110-L136 HydrophobicContact CD1-CD1 3.73Å; F110-L136 HydrophobicContact CD2-CD1 4.37Å; F110-L136 HydrophobicContact CE1-CD1 3.69Å; F110-L136 HydrophobicContact CE2-CD1 4.34Å; F110-L136 HydrophobicContact CG-CD1 4.08Å; F110-L136 HydrophobicContact CZ-CD1 4Å; F110-V138 HydrophobicContact CD2-CG2 3.91Å; F110-V138 HydrophobicContact CE2-CG1 4.33Å; F110-V138 HydrophobicContact CE2-CG2 3.41Å; F110-V138 VanDerWaalsContact CE2-CG2 3.41Å; F110-V138 HydrophobicContact CZ-CG2 4.27Å
111	L	94.7	Very high	92.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-64.8	-41	175.6	-71.6	172.2	0	0	0	111	R50 I60 F67 C69 L74 V107 R108 C109 F113 C114 Y115	R50-L111 PolarHBondContact NH1-O 2.93Å; I60-L111 HydrophobicContact CD1-CD2 4.37Å; F67-L111 HydrophobicContact CB-CD1 3.59Å; F67-L111 HydrophobicContact CD1-CD1 4.05Å; F67-L111 HydrophobicContact CG-CD1 3.97Å; C69-L111 HydrophobicContact CB-CD2 4.21Å; L74-L111 HydrophobicContact CD2-CD2 3.81Å; V107-L111 HydrophobicContact CG1-CD1 4.15Å; V107-L111 HydrophobicContact CG1-CG 4.48Å; V107-L111 WeakPolarHBondContact O-CB 3.42Å; V107-L111 VanDerWaalsContact O-CG 3.32Å; V107-L111 WeakPolarHBondContact O-CG 3.45Å; V107-L111 PolarHBondContact O-N 2.92Å; R108-L111 PolarHBondContact O-N 2.84Å; C109-L111 PolarHBondContact O-N 3.19Å; L111-F113 VanDerWaalsContact C-N 3.3Å; L111-F113 PolarHBondContact O-N 3.42Å; L111-C114 PolarHBondContact O-N 2.92Å; L111-Y115 WeakPolarHBondContact O-CD2 3.41Å; L111-Y115 PolarHBondContact O-N 3.3Å
112	D	93.2	Very high	93	Very high	56 Å²	56	40.6 Å²	40.6	30%	0.299	22%	0.222	S	C	.	.	H	α-helix	trans	-58.1	-46	175.5	-65.2	-14.5	0	0	0	110.3	R50 R108 C109 F110 C114 Y115 S116	R50-D112 IonicContact CZ-OD1 3.8Å; R50-D112 VanDerWaalsContact CZ-OD1 3.27Å; R50-D112 VanDerWaalsContact NH1-CA 3.35Å; R50-D112 IonicContact NH1-OD1 3.04Å; R50-D112 PolarHBondContact NH1-OD1 2.87Å; R50-D112 IonicContact NH2-OD1 3.47Å; R50-D112 PolarHBondContact NH2-OD1 3.15Å; R108-D112 IonicContact NH1-OD2 3.14Å; R108-D112 PolarHBondContact NH1-OD2 3.22Å; R108-D112 WeakPolarHBondContact O-CB 3.35Å; R108-D112 PolarHBondContact O-N 3.26Å; C109-D112 PolarHBondContact O-N 3.45Å; F110-D112 VanDerWaalsContact C-N 3.35Å; D112-C114 PolarHBondContact O-N 3.38Å; D112-Y115 PolarHBondContact O-N 3.1Å; D112-S116 WeakPolarHBondContact O-CB 3.19Å; D112-S116 PolarHBondContact O-N 3.44Å; D112-S116 PolarHBondContact O-OG 3.39Å
113	F	95	Very high	93	Very high	31 Å²	31	46.3 Å²	46.3	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-59.1	-43.7	173.2	170.5	-104	0	0	0	113.6	C109 F110 L111 Y115 S116 G117 M119 V138 V140	C109-F113 PolarHBondContact O-N 2.81Å; F110-F113 WeakPolarHBondContact O-CB 3.5Å; F110-F113 PolarHBondContact O-N 2.78Å; L111-F113 VanDerWaalsContact C-N 3.3Å; L111-F113 PolarHBondContact O-N 3.42Å; F113-Y115 PolarHBondContact O-N 3.38Å; F113-Y115 VanDerWaalsContact O-N 3.15Å; F113-S116 PolarHBondContact O-N 2.99Å; F113-G117 WeakPolarHBondContact O-CA 3.49Å; F113-G117 PolarHBondContact O-N 2.87Å; F113-M119 HydrophobicContact CB-CB 4.45Å; F113-M119 HydrophobicContact CB-CE 3.67Å; F113-M119 HydrophobicContact CD2-CB 3.89Å; F113-M119 HydrophobicContact CG-CB 4.47Å; F113-M119 HydrophobicContact CG-CE 4.5Å; F113-V138 HydrophobicContact CE1-CG1 4.07Å; F113-V140 HydrophobicContact CZ-CB 4.34Å; F113-V140 HydrophobicContact CZ-CG1 4.18Å
114	C	94.6	Very high	93.1	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.034	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-27.7	179.5	-68.9	0	0	0	0	113.3	V73 C77 F110 L111 D112	V73-C114 HydrophobicContact CG1-CB 3.97Å; C77-C114 HydrophobicContact CB-CB 4.39Å; C77-C114 VanDerWaalsContact CB-SG 3.56Å; F110-C114 WeakPolarHBondContact CE2-SG 3.32Å; F110-C114 WeakPolarHBondContact CZ-SG 3.48Å; F110-C114 PolarHBondContact O-N 3.4Å; F110-C114 PolarHBondContact O-SG 3.05Å; L111-C114 PolarHBondContact O-N 2.92Å; D112-C114 PolarHBondContact O-N 3.38Å
115	Y	94.1	Very high	93.1	Very high	3 Å²	3	54.3 Å²	54.3	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-106.8	-15	-176.9	-70.2	-103.2	0	0	0	113.3	L43 L46 R50 H70 V73 L111 D112 F113	L43-Y115 WeakPolarHBondContact CG-O 3.49Å; L46-Y115 HydrophobicContact CB-CD1 4.26Å; L46-Y115 HydrophobicContact CB-CE1 4.47Å; L46-Y115 WeakPolarHBondContact O-CD1 3.39Å; R50-Y115 HydrophobicContact CB-CD1 3.9Å; R50-Y115 HydrophobicContact CB-CE1 3.87Å; R50-Y115 HydrophobicContact CG-CE1 4.45Å; H70-Y115 PolarHBondContact N-OH 3.45Å; H70-Y115 VanDerWaalsContact N-OH 3.12Å; H70-Y115 AromaticContact ND1-CE1 3.44Å; H70-Y115 WeakPolarHBondContact ND1-CE1 3.23Å; H70-Y115 AromaticContact ND1-CZ 3.51Å; H70-Y115 PolarHBondContact ND1-OH 3.06Å; V73-Y115 HydrophobicContact CB-CE1 4.48Å; V73-Y115 HydrophobicContact CB-CE2 4.35Å; V73-Y115 HydrophobicContact CG1-CD2 4.08Å; V73-Y115 HydrophobicContact CG1-CE1 4.22Å; V73-Y115 HydrophobicContact CG1-CE2 3.71Å; V73-Y115 HydrophobicContact CG2-CE1 4.11Å; L111-Y115 WeakPolarHBondContact O-CD2 3.41Å; L111-Y115 PolarHBondContact O-N 3.3Å; D112-Y115 PolarHBondContact O-N 3.1Å; F113-Y115 PolarHBondContact O-N 3.38Å; F113-Y115 VanDerWaalsContact O-N 3.15Å
116	S	91.8	Very high	93.2	Very high	31 Å²	31	50 Å²	50	22%	0.217	26%	0.263	C	S	.	.	H	α-helix	trans	-102.4	-31.2	175.6	67	0	0	0	0	113.2	D112 F113 E118	D112-S116 WeakPolarHBondContact O-CB 3.19Å; D112-S116 PolarHBondContact O-N 3.44Å; D112-S116 PolarHBondContact O-OG 3.39Å; F113-S116 PolarHBondContact O-N 2.99Å; S116-E118 PolarHBondContact O-N 3.42Å; S116-E118 PolarHBondContact OG-N 3.49Å; S116-E118 PolarHBondContact OG-O 2.8Å
117	G	89.4	Confident	93.1	Very high	48 Å²	48	54.1 Å²	54.1	50%	0.495	29%	0.285	S	S	.	.	S	Bend	trans	74.1	4.4	-165.2	0	0	0	0	0	113.9	F113	F113-G117 WeakPolarHBondContact O-CA 3.49Å; F113-G117 PolarHBondContact O-N 2.87Å
118	E	91	Very high	93	Very high	149 Å²	149	56.3 Å²	56.3	70%	0.696	30%	0.296	S	S	*	.			trans	-123.1	135.5	-171.9	-63.8	176.6	174.9	0	0	110.8	S116	S116-E118 PolarHBondContact O-N 3.42Å; S116-E118 PolarHBondContact OG-N 3.49Å; S116-E118 PolarHBondContact OG-O 2.8Å
119	M	92.3	Very high	93.1	Very high	50 Å²	50	50.7 Å²	50.7	25%	0.246	28%	0.275	C	S	.	.			trans	-143.1	135.1	174.5	177.3	65.6	69.7	0	0	109.8	C109 F113 V121 L129 L141	C109-M119 VanDerWaalsContact C-CE 3.47Å; C109-M119 HydrophobicContact CB-CE 3.78Å; C109-M119 HydrophobicContact CB-SD 4.31Å; C109-M119 WeakPolarHBondContact O-CE 3.32Å; F113-M119 HydrophobicContact CB-CB 4.45Å; F113-M119 HydrophobicContact CB-CE 3.67Å; F113-M119 HydrophobicContact CD2-CB 3.89Å; F113-M119 HydrophobicContact CG-CB 4.47Å; F113-M119 HydrophobicContact CG-CE 4.5Å; M119-V121 HydrophobicContact CG-CG2 4.24Å; M119-L129 HydrophobicContact CE-CD1 4.49Å; M119-L129 HydrophobicContact CE-CD2 4.11Å; M119-L129 HydrophobicContact CG-CD1 4.3Å; M119-L129 HydrophobicContact SD-CD1 3.86Å; M119-L129 HydrophobicContact SD-CD2 4.45Å; M119-L141 HydrophobicContact CB-CD1 4.33Å; M119-L141 HydrophobicContact CE-CD1 4.32Å; M119-L141 HydrophobicContact CG-CD1 3.74Å
120	V	93.3	Very high	93.1	Very high	113 Å²	113	49.9 Å²	49.9	69%	0.685	27%	0.269	S	S	*	.			trans	-103.9	113.5	171.8	-177.6	0	0	0	0	108.4	T122 N125	V120-T122 HydrophobicContact CG1-CG2 4.1Å; V120-N125 PolarHBondContact O-ND2 3.11Å
121	V	93.9	Very high	93	Very high	30 Å²	30	53 Å²	53	18%	0.182	28%	0.283	C	S	.	.			trans	-88.7	130.7	176.6	-174.8	0	0	0	0	109.2	M119 N125 V126 F148	M119-V121 HydrophobicContact CG-CG2 4.24Å; V121-N125 WeakPolarHBondContact CA-OD1 3.45Å; V121-V126 HydrophobicContact CG1-CB 3.94Å; V121-V126 HydrophobicContact CG1-CG2 3.88Å; V121-F148 HydrophobicContact CB-CD2 4.4Å; V121-F148 HydrophobicContact CG1-CB 3.91Å; V121-F148 HydrophobicContact CG1-CD1 4.09Å; V121-F148 HydrophobicContact CG1-CD2 4.07Å; V121-F148 HydrophobicContact CG1-CG 3.75Å
122	T	94.1	Very high	93	Very high	52 Å²	52	53 Å²	53	32%	0.319	28%	0.283	S	S	.	.			trans	-134.7	163.9	-178.6	71	0	0	0	0	110.1	V120 E124 N125 V126	V120-T122 HydrophobicContact CG1-CG2 4.1Å; T122-E124 PolarHBondContact O-N 3.4Å; T122-E124 VanDerWaalsContact O-N 3.15Å; T122-E124 PolarHBondContact OG1-N 3.07Å; T122-N125 PolarHBondContact N-OD1 3.13Å; T122-N125 PolarHBondContact O-N 3.15Å; T122-N125 PolarHBondContact O-OD1 3.2Å; T122-N125 VanDerWaalsContact O-OD1 3.05Å; T122-N125 VanDerWaalsContact OG1-CG 3.29Å; T122-N125 PolarHBondContact OG1-N 3.22Å; T122-N125 PolarHBondContact OG1-ND2 3.36Å; T122-V126 WeakPolarHBondContact O-CB 3.43Å; T122-V126 PolarHBondContact O-N 2.96Å
123	H	90.6	Very high	93.1	Very high	133 Å²	133	50.4 Å²	50.4	62%	0.616	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.2	176.1	-69.5	-78.9	0	0	0	113.8	F148 T152	H123-F148 AromaticContact CD2-CZ 3.91Å; H123-F148 AromaticContact CE1-CZ 3.94Å; H123-F148 AromaticContact CG-CZ 3.94Å; H123-F148 AromaticContact ND1-CE1 3.85Å; H123-F148 AromaticContact ND1-CZ 3.95Å; H123-F148 AromaticContact NE2-CZ 3.9Å; H123-T152 WeakPolarHBondContact CE1-CG2 3.16Å
124	E	90.9	Very high	93	Very high	182 Å²	182	50.6 Å²	50.6	85%	0.85	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-27.2	-178.9	-62.4	180	176.2	0	0	112.8	T122	T122-E124 PolarHBondContact O-N 3.4Å; T122-E124 VanDerWaalsContact O-N 3.15Å; T122-E124 PolarHBondContact OG1-N 3.07Å
125	N	93.2	Very high	93	Very high	22 Å²	22	54.5 Å²	54.5	12%	0.118	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-15.3	-173.9	73.2	19.1	0	0	0	114.1	V120 V121 T122 D127 M128 L129	V120-N125 PolarHBondContact O-ND2 3.11Å; V121-N125 WeakPolarHBondContact CA-OD1 3.45Å; T122-N125 PolarHBondContact N-OD1 3.13Å; T122-N125 PolarHBondContact O-N 3.15Å; T122-N125 PolarHBondContact O-OD1 3.2Å; T122-N125 VanDerWaalsContact O-OD1 3.05Å; T122-N125 VanDerWaalsContact OG1-CG 3.29Å; T122-N125 PolarHBondContact OG1-N 3.22Å; T122-N125 PolarHBondContact OG1-ND2 3.36Å; N125-D127 PolarHBondContact O-N 2.7Å; N125-M128 HydrophobicContact CB-CE 3.48Å; N125-M128 VanDerWaalsContact CB-CE 3.48Å; N125-M128 WeakPolarHBondContact O-CG 3.43Å; N125-M128 PolarHBondContact O-N 2.88Å; N125-L129 HydrophobicContact CB-CD1 4.07Å; N125-L129 HydrophobicContact CB-CG 4.4Å; N125-L129 WeakPolarHBondContact O-CB 3.41Å; N125-L129 VanDerWaalsContact O-CG 3.26Å; N125-L129 WeakPolarHBondContact O-CG 3.46Å; N125-L129 PolarHBondContact O-N 3.5Å; N125-L129 WeakPolarHBondContact OD1-CD1 3.42Å
126	V	94.1	Very high	93	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.024	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-41.7	-170.5	65	0	0	0	0	112.6	V121 T122 M128 L129 F130 C145 F148 L149	V121-V126 HydrophobicContact CG1-CB 3.94Å; V121-V126 HydrophobicContact CG1-CG2 3.88Å; T122-V126 WeakPolarHBondContact O-CB 3.43Å; T122-V126 PolarHBondContact O-N 2.96Å; V126-M128 PolarHBondContact O-N 2.9Å; V126-L129 PolarHBondContact O-N 3.4Å; V126-F130 WeakPolarHBondContact O-CB 3.13Å; V126-F130 PolarHBondContact O-N 3.28Å; V126-C145 HydrophobicContact CG2-CB 4.1Å; V126-F148 HydrophobicContact CB-CD1 4.09Å; V126-F148 HydrophobicContact CB-CE1 4.3Å; V126-F148 HydrophobicContact CG1-CD1 4.32Å; V126-F148 HydrophobicContact CG1-CE1 4.22Å; V126-F148 HydrophobicContact CG2-CD1 3.86Å; V126-L149 HydrophobicContact CB-CD2 4.43Å; V126-L149 HydrophobicContact CG1-CD2 3.84Å; V126-L149 HydrophobicContact CG2-CD1 4.24Å; V126-L149 HydrophobicContact CG2-CD2 3.69Å; V126-L149 HydrophobicContact CG2-CG 3.7Å
127	D	91.8	Very high	93.1	Very high	86 Å²	86	57.9 Å²	57.9	46%	0.46	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-47.7	-177.5	-61	-43.3	0	0	0	111.6	N125 F130 Q131	N125-D127 PolarHBondContact O-N 2.7Å; D127-F130 PolarHBondContact O-N 3.16Å; D127-Q131 WeakPolarHBondContact O-CB 3.24Å; D127-Q131 PolarHBondContact O-N 3.18Å
128	M	92.8	Very high	93.4	Very high	47 Å²	47	55.7 Å²	55.7	23%	0.232	28%	0.281	C	S	.	.	H	α-helix	trans	-68.7	-36.3	179.7	68	167.3	-177.2	0	0	112.2	E105 A106 N125 V126 L132	E105-M128 HydrophobicContact CB-CE 4.21Å; E105-M128 HydrophobicContact CB-SD 4.08Å; A106-M128 HydrophobicContact CB-CB 4.01Å; A106-M128 HydrophobicContact CB-CG 4.03Å; A106-M128 HydrophobicContact CB-SD 3.89Å; N125-M128 HydrophobicContact CB-CE 3.48Å; N125-M128 VanDerWaalsContact CB-CE 3.48Å; N125-M128 WeakPolarHBondContact O-CG 3.43Å; N125-M128 PolarHBondContact O-N 2.88Å; V126-M128 PolarHBondContact O-N 2.9Å; M128-L132 VanDerWaalsContact O-CB 3.26Å; M128-L132 WeakPolarHBondContact O-CB 3.46Å; M128-L132 PolarHBondContact O-N 2.95Å
129	L	94.7	Very high	93.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-71.5	-39.5	177.1	-70.3	177.6	0	0	0	111.5	C109 M119 N125 V126 L132 A133 L141	C109-L129 HydrophobicContact CB-CD2 3.82Å; M119-L129 HydrophobicContact CE-CD1 4.49Å; M119-L129 HydrophobicContact CE-CD2 4.11Å; M119-L129 HydrophobicContact CG-CD1 4.3Å; M119-L129 HydrophobicContact SD-CD1 3.86Å; M119-L129 HydrophobicContact SD-CD2 4.45Å; N125-L129 HydrophobicContact CB-CD1 4.07Å; N125-L129 HydrophobicContact CB-CG 4.4Å; N125-L129 WeakPolarHBondContact O-CB 3.41Å; N125-L129 VanDerWaalsContact O-CG 3.26Å; N125-L129 WeakPolarHBondContact O-CG 3.46Å; N125-L129 PolarHBondContact O-N 3.5Å; N125-L129 WeakPolarHBondContact OD1-CD1 3.42Å; V126-L129 PolarHBondContact O-N 3.4Å; L129-L132 PolarHBondContact O-N 3.49Å; L129-A133 WeakPolarHBondContact O-CB 3.12Å; L129-A133 PolarHBondContact O-N 3.39Å; L129-L141 HydrophobicContact CD2-CD2 4.36Å
130	F	93.9	Very high	93.5	Very high	3 Å²	3	55 Å²	55	1%	0.013	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-46.8	178.9	-171.6	-117.5	0	0	0	111.2	V126 D127 L132 A133 S134 F142 C145 L149 Y168 L173	V126-F130 WeakPolarHBondContact O-CB 3.13Å; V126-F130 PolarHBondContact O-N 3.28Å; D127-F130 PolarHBondContact O-N 3.16Å; F130-L132 PolarHBondContact O-N 2.92Å; F130-A133 PolarHBondContact O-N 2.89Å; F130-S134 WeakPolarHBondContact O-CB 3.46Å; F130-S134 PolarHBondContact O-N 2.94Å; F130-F142 AromaticContact CD2-CD2 3.72Å; F130-F142 HydrophobicContact CD2-CD2 3.72Å; F130-F142 AromaticContact CD2-CE2 3.67Å; F130-F142 HydrophobicContact CD2-CE2 3.67Å; F130-F142 HydrophobicContact CE1-CE2 4.22Å; F130-F142 AromaticContact CE2-CD2 3.62Å; F130-F142 HydrophobicContact CE2-CD2 3.62Å; F130-F142 HydrophobicContact CE2-CE1 4.39Å; F130-F142 AromaticContact CE2-CE2 3.21Å; F130-F142 HydrophobicContact CE2-CE2 3.21Å; F130-F142 HydrophobicContact CE2-CG 4.36Å; F130-F142 AromaticContact CE2-CZ 3.69Å; F130-F142 HydrophobicContact CE2-CZ 3.69Å; F130-F142 HydrophobicContact CG-CE2 4.35Å; F130-F142 HydrophobicContact CZ-CD2 4.38Å; F130-F142 AromaticContact CZ-CE2 3.54Å; F130-F142 HydrophobicContact CZ-CE2 3.54Å; F130-F142 AromaticContact CZ-CZ 3.79Å; F130-F142 HydrophobicContact CZ-CZ 3.79Å; F130-C145 HydrophobicContact CB-CB 4Å; F130-C145 HydrophobicContact CD2-CB 3.64Å; F130-C145 HydrophobicContact CG-CB 4.28Å; F130-L149 HydrophobicContact CD1-CD1 4.07Å; F130-L149 HydrophobicContact CD2-CD1 4.26Å; F130-L149 HydrophobicContact CE1-CD1 4.23Å; F130-L149 HydrophobicContact CE2-CD1 4.41Å; F130-L149 HydrophobicContact CG-CD1 4.07Å; F130-L149 HydrophobicContact CZ-CD1 4.38Å; F130-Y168 AromaticContact CD1-CD2 3.66Å; F130-Y168 HydrophobicContact CD1-CD2 3.66Å; F130-Y168 HydrophobicContact CD1-CE2 4.26Å; F130-Y168 HydrophobicContact CD1-CG 4.19Å; F130-Y168 AromaticContact CE1-CD2 3.61Å; F130-Y168 HydrophobicContact CE1-CD2 3.61Å; F130-Y168 HydrophobicContact CE1-CG 4.03Å; F130-L173 HydrophobicContact CZ-CD2 4.13Å
131	Q	93	Very high	93.5	Very high	67 Å²	67	49.9 Å²	49.9	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-58.8	-47.6	173.7	176.5	176.3	-8.2	0	0	111.7	N101 D127 F135 Y168	N101-Q131 PolarHBondContact O-NE2 3.46Å; D127-Q131 WeakPolarHBondContact O-CB 3.24Å; D127-Q131 PolarHBondContact O-N 3.18Å; Q131-F135 WeakPolarHBondContact O-CB 3.24Å; Q131-F135 PolarHBondContact O-N 2.97Å; Q131-Y168 HydrophobicContact CB-CE1 3.92Å; Q131-Y168 HydrophobicContact CG-CE1 3.75Å; Q131-Y168 WeakPolarHBondContact CG-OH 3.26Å; Q131-Y168 PolarHBondContact OE1-OH 3Å
132	L	94.6	Very high	93.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-42.7	-179.3	-175.3	75.6	0	0	0	111.6	Q102 A106 V107 F110 M128 L129 F130 S134 F135 L136	Q102-L132 HydrophobicContact CB-CD1 4.16Å; Q102-L132 HydrophobicContact CG-CD1 3.86Å; A106-L132 VanDerWaalsContact C-CD2 3.48Å; A106-L132 HydrophobicContact CB-CB 4.33Å; A106-L132 HydrophobicContact CB-CD2 3.95Å; A106-L132 VanDerWaalsContact O-CD2 3.24Å; A106-L132 WeakPolarHBondContact O-CD2 3.34Å; V107-L132 HydrophobicContact CG2-CD1 3.9Å; V107-L132 HydrophobicContact CG2-CD2 4.37Å; F110-L132 HydrophobicContact CB-CD2 3.48Å; F110-L132 VanDerWaalsContact CB-CD2 3.48Å; F110-L132 HydrophobicContact CG-CD2 4.16Å; M128-L132 VanDerWaalsContact O-CB 3.26Å; M128-L132 WeakPolarHBondContact O-CB 3.46Å; M128-L132 PolarHBondContact O-N 2.95Å; L129-L132 PolarHBondContact O-N 3.49Å; F130-L132 PolarHBondContact O-N 2.92Å; L132-S134 VanDerWaalsContact C-N 3.33Å; L132-S134 PolarHBondContact O-N 3.42Å; L132-F135 PolarHBondContact O-N 2.97Å; L132-L136 HydrophobicContact CD1-CD1 3.7Å; L132-L136 HydrophobicContact CD1-CG 3.97Å; L132-L136 HydrophobicContact CD2-CD1 4.21Å; L132-L136 HydrophobicContact CG-CD1 3.79Å; L132-L136 HydrophobicContact CG-CG 4.2Å; L132-L136 WeakPolarHBondContact O-CB 3.17Å; L132-L136 PolarHBondContact O-N 2.91Å
133	A	95	Very high	93.6	Very high	1 Å²	1	56 Å²	56	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-36.1	-179	0	0	0	0	0	111.9	L129 F130 Q137 V138 L141 F142	L129-A133 WeakPolarHBondContact O-CB 3.12Å; L129-A133 PolarHBondContact O-N 3.39Å; F130-A133 PolarHBondContact O-N 2.89Å; A133-Q137 CarbonylContact O-C 3.58Å; A133-Q137 VanDerWaalsContact O-CA 3.3Å; A133-Q137 WeakPolarHBondContact O-CA 3.33Å; A133-Q137 PolarHBondContact O-N 2.97Å; A133-V138 HydrophobicContact CB-CB 4.36Å; A133-V138 PolarHBondContact O-N 3.45Å; A133-L141 HydrophobicContact CB-CB 4.02Å; A133-L141 HydrophobicContact CB-CD2 4.02Å; A133-L141 HydrophobicContact CB-CG 3.89Å; A133-F142 HydrophobicContact CB-CB 3.83Å; A133-F142 HydrophobicContact CB-CD2 4.28Å
134	S	94.2	Very high	93.7	Very high	36 Å²	36	51.8 Å²	51.8	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-51	169.9	-177.8	0	0	0	0	110.7	F130 L132 Q137 Y168	F130-S134 WeakPolarHBondContact O-CB 3.46Å; F130-S134 PolarHBondContact O-N 2.94Å; L132-S134 VanDerWaalsContact C-N 3.33Å; L132-S134 PolarHBondContact O-N 3.42Å; S134-Q137 PolarHBondContact O-N 2.92Å; S134-Y168 PolarHBondContact OG-O 3.26Å; S134-Y168 VanDerWaalsContact OG-O 3.06Å
135	F	93.4	Very high	93.9	Very high	86 Å²	86	43.1 Å²	43.1	38%	0.377	22%	0.224	S	C	.	.	H	α-helix	trans	-62.8	-47.2	-177.6	176.3	-98.4	0	0	0	113.3	F80 L99 Q102 Q131 L132 Q137	F80-F135 HydrophobicContact CE2-CZ 4.31Å; F80-F135 HydrophobicContact CZ-CE1 4.47Å; F80-F135 HydrophobicContact CZ-CZ 4.33Å; L99-F135 HydrophobicContact CD2-CE1 3.93Å; L99-F135 HydrophobicContact CD2-CZ 4.39Å; Q102-F135 HydrophobicContact CG-CD1 4.4Å; Q131-F135 WeakPolarHBondContact O-CB 3.24Å; Q131-F135 PolarHBondContact O-N 2.97Å; L132-F135 PolarHBondContact O-N 2.97Å; F135-Q137 VanDerWaalsContact C-N 3.27Å; F135-Q137 PolarHBondContact O-N 3.37Å
136	L	94.1	Very high	94	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.4	178.7	-64	-176	0	0	0	113	S78 F80 F81 L99 F110 L132 V138	S78-L136 WeakPolarHBondContact CB-O 3.48Å; S78-L136 PolarHBondContact OG-O 3.25Å; F80-L136 WeakPolarHBondContact CB-O 3.42Å; F80-L136 HydrophobicContact CD1-CD2 3.82Å; F80-L136 HydrophobicContact CE1-CD2 4.27Å; F80-L136 HydrophobicContact CG-CD2 4.32Å; F81-L136 HydrophobicContact CD2-CD2 4.46Å; F81-L136 HydrophobicContact CE2-CD1 4Å; F81-L136 HydrophobicContact CE2-CD2 3.71Å; F81-L136 HydrophobicContact CE2-CG 4.42Å; F81-L136 HydrophobicContact CZ-CD2 3.91Å; L99-L136 HydrophobicContact CD1-CD2 4.38Å; F110-L136 HydrophobicContact CD1-CD1 3.73Å; F110-L136 HydrophobicContact CD2-CD1 4.37Å; F110-L136 HydrophobicContact CE1-CD1 3.69Å; F110-L136 HydrophobicContact CE2-CD1 4.34Å; F110-L136 HydrophobicContact CG-CD1 4.08Å; F110-L136 HydrophobicContact CZ-CD1 4Å; L132-L136 HydrophobicContact CD1-CD1 3.7Å; L132-L136 HydrophobicContact CD1-CG 3.97Å; L132-L136 HydrophobicContact CD2-CD1 4.21Å; L132-L136 HydrophobicContact CG-CD1 3.79Å; L132-L136 HydrophobicContact CG-CG 4.2Å; L132-L136 WeakPolarHBondContact O-CB 3.17Å; L132-L136 PolarHBondContact O-N 2.91Å; L136-V138 HydrophobicContact CB-CG2 3.82Å; L136-V138 PolarHBondContact O-N 3.05Å
137	Q	94.4	Very high	94	Very high	104 Å²	104	45.7 Å²	45.7	49%	0.486	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	52.1	-179.2	-56.6	177.9	9.5	0	0	112.5	D79 A133 S134 F135	D79-Q137 HydrophobicContact CB-CB 3.88Å; D79-Q137 PolarHBondContact N-O 3.39Å; A133-Q137 CarbonylContact O-C 3.58Å; A133-Q137 VanDerWaalsContact O-CA 3.3Å; A133-Q137 WeakPolarHBondContact O-CA 3.33Å; A133-Q137 PolarHBondContact O-N 2.97Å; S134-Q137 PolarHBondContact O-N 2.92Å; F135-Q137 VanDerWaalsContact C-N 3.27Å; F135-Q137 PolarHBondContact O-N 3.37Å
138	V	95.2	Very high	94.1	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	23%	0.228	C	C	.	.			trans	-99.3	84.2	179	-174.1	0	0	0	0	108.6	F110 F113 A133 L136 V140 L141 F142	F110-V138 HydrophobicContact CD2-CG2 3.91Å; F110-V138 HydrophobicContact CE2-CG1 4.33Å; F110-V138 HydrophobicContact CE2-CG2 3.41Å; F110-V138 VanDerWaalsContact CE2-CG2 3.41Å; F110-V138 HydrophobicContact CZ-CG2 4.27Å; F113-V138 HydrophobicContact CE1-CG1 4.07Å; A133-V138 HydrophobicContact CB-CB 4.36Å; A133-V138 PolarHBondContact O-N 3.45Å; L136-V138 HydrophobicContact CB-CG2 3.82Å; L136-V138 PolarHBondContact O-N 3.05Å; V138-V140 VanDerWaalsContact C-N 3.32Å; V138-V140 PolarHBondContact O-N 3.34Å; V138-L141 HydrophobicContact CB-CB 4.24Å; V138-L141 HydrophobicContact CG1-CB 3.71Å; V138-L141 PolarHBondContact O-N 2.98Å; V138-L141 VanDerWaalsContact O-N 3.16Å; V138-F142 WeakPolarHBondContact O-CB 3.13Å; V138-F142 PolarHBondContact O-N 2.79Å
139	S	92.9	Very high	94.2	Very high	82 Å²	82	42.3 Å²	42.3	57%	0.573	22%	0.218	S	C	*	.	H	α-helix	trans	-54.2	-41.2	-169.4	-64.7	0	0	0	0	114.6	R143	S139-R143 WeakPolarHBondContact O-CB 3.13Å; S139-R143 PolarHBondContact O-N 3.45Å
140	V	93.4	Very high	94.2	Very high	103 Å²	103	43.3 Å²	43.3	62%	0.624	23%	0.225	S	C	*	.	H	α-helix	trans	-65.5	-45.4	-179	-179.7	0	0	0	0	111.3	F113 V138 A144	F113-V140 HydrophobicContact CZ-CB 4.34Å; F113-V140 HydrophobicContact CZ-CG1 4.18Å; V138-V140 VanDerWaalsContact C-N 3.32Å; V138-V140 PolarHBondContact O-N 3.34Å; V140-A144 WeakPolarHBondContact O-CB 3.4Å; V140-A144 PolarHBondContact O-N 3.34Å
141	L	93.8	Very high	94.1	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-69.8	-41.7	179.1	-176.7	60.9	0	0	0	111	M119 L129 A133 V138 R143 A144 C145	M119-L141 HydrophobicContact CB-CD1 4.33Å; M119-L141 HydrophobicContact CE-CD1 4.32Å; M119-L141 HydrophobicContact CG-CD1 3.74Å; L129-L141 HydrophobicContact CD2-CD2 4.36Å; A133-L141 HydrophobicContact CB-CB 4.02Å; A133-L141 HydrophobicContact CB-CD2 4.02Å; A133-L141 HydrophobicContact CB-CG 3.89Å; V138-L141 HydrophobicContact CB-CB 4.24Å; V138-L141 HydrophobicContact CG1-CB 3.71Å; V138-L141 PolarHBondContact O-N 2.98Å; V138-L141 VanDerWaalsContact O-N 3.16Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 2.99Å; L141-A144 PolarHBondContact O-N 2.85Å; L141-C145 WeakPolarHBondContact O-CB 3.46Å; L141-C145 PolarHBondContact O-N 3.39Å; L141-C145 PolarHBondContact O-SG 2.9Å; L141-C145 VanDerWaalsContact O-SG 3.38Å
142	F	94.4	Very high	94.1	Very high	37 Å²	37	44.9 Å²	44.9	16%	0.162	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-44.1	177.9	-173.2	-108.7	0	0	0	111.5	F130 A133 V138 S146	F130-F142 AromaticContact CD2-CD2 3.72Å; F130-F142 HydrophobicContact CD2-CD2 3.72Å; F130-F142 AromaticContact CD2-CE2 3.67Å; F130-F142 HydrophobicContact CD2-CE2 3.67Å; F130-F142 HydrophobicContact CE1-CE2 4.22Å; F130-F142 AromaticContact CE2-CD2 3.62Å; F130-F142 HydrophobicContact CE2-CD2 3.62Å; F130-F142 HydrophobicContact CE2-CE1 4.39Å; F130-F142 AromaticContact CE2-CE2 3.21Å; F130-F142 HydrophobicContact CE2-CE2 3.21Å; F130-F142 HydrophobicContact CE2-CG 4.36Å; F130-F142 AromaticContact CE2-CZ 3.69Å; F130-F142 HydrophobicContact CE2-CZ 3.69Å; F130-F142 HydrophobicContact CG-CE2 4.35Å; F130-F142 HydrophobicContact CZ-CD2 4.38Å; F130-F142 AromaticContact CZ-CE2 3.54Å; F130-F142 HydrophobicContact CZ-CE2 3.54Å; F130-F142 AromaticContact CZ-CZ 3.79Å; F130-F142 HydrophobicContact CZ-CZ 3.79Å; A133-F142 HydrophobicContact CB-CB 3.83Å; A133-F142 HydrophobicContact CB-CD2 4.28Å; V138-F142 WeakPolarHBondContact O-CB 3.13Å; V138-F142 PolarHBondContact O-N 2.79Å; F142-S146 WeakPolarHBondContact O-CB 3.26Å; F142-S146 PolarHBondContact O-N 3.36Å
143	R	94	Very high	94.1	Very high	175 Å²	175	46.1 Å²	46.1	66%	0.66	26%	0.26	S	S	*	.	H	α-helix	trans	-64.1	-46.7	175	-174.9	175	178.7	170.1	2.4	112	S139 L141 C145 S146 D147	S139-R143 WeakPolarHBondContact O-CB 3.13Å; S139-R143 PolarHBondContact O-N 3.45Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 2.99Å; R143-C145 VanDerWaalsContact C-N 3.33Å; R143-C145 PolarHBondContact O-N 3.49Å; R143-S146 WeakPolarHBondContact O-CB 3.45Å; R143-S146 PolarHBondContact O-N 3.28Å; R143-S146 VanDerWaalsContact O-N 3.12Å; R143-D147 IonicContact NE-OD2 3.53Å; R143-D147 VanDerWaalsContact O-CG 3.25Å; R143-D147 PolarHBondContact O-N 3.39Å
144	A	93.9	Very high	94	Very high	43 Å²	43	51.7 Å²	51.7	36%	0.355	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-41.9	178.4	0	0	0	0	0	112.5	V140 L141 F148	V140-A144 WeakPolarHBondContact O-CB 3.4Å; V140-A144 PolarHBondContact O-N 3.34Å; L141-A144 PolarHBondContact O-N 2.85Å; A144-F148 WeakPolarHBondContact O-CB 3.29Å; A144-F148 PolarHBondContact O-N 3.41Å
145	C	95.1	Very high	93.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.6	-41.7	173.5	-70.2	0	0	0	0	111.9	V126 F130 L141 R143 D147 F148 L149	V126-C145 HydrophobicContact CG2-CB 4.1Å; F130-C145 HydrophobicContact CB-CB 4Å; F130-C145 HydrophobicContact CD2-CB 3.64Å; F130-C145 HydrophobicContact CG-CB 4.28Å; L141-C145 WeakPolarHBondContact O-CB 3.46Å; L141-C145 PolarHBondContact O-N 3.39Å; L141-C145 PolarHBondContact O-SG 2.9Å; L141-C145 VanDerWaalsContact O-SG 3.38Å; R143-C145 VanDerWaalsContact C-N 3.33Å; R143-C145 PolarHBondContact O-N 3.49Å; C145-D147 PolarHBondContact O-N 3.44Å; C145-F148 PolarHBondContact O-N 2.93Å; C145-L149 VanDerWaalsContact O-CG 3.3Å; C145-L149 WeakPolarHBondContact O-CG 3.4Å; C145-L149 PolarHBondContact O-N 2.89Å
146	S	94.5	Very high	93.8	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.014	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-45	175.7	-172.7	0	0	0	0	112.1	F142 R143 L149 T150 S170 L173	F142-S146 WeakPolarHBondContact O-CB 3.26Å; F142-S146 PolarHBondContact O-N 3.36Å; R143-S146 WeakPolarHBondContact O-CB 3.45Å; R143-S146 PolarHBondContact O-N 3.28Å; R143-S146 VanDerWaalsContact O-N 3.12Å; S146-L149 PolarHBondContact O-N 3.18Å; S146-T150 WeakPolarHBondContact O-CB 3.32Å; S146-T150 PolarHBondContact O-N 3.04Å; S146-T150 PolarHBondContact O-OG1 3.38Å; S146-S170 PolarHBondContact OG-OG 3.08Å; S146-L173 WeakPolarHBondContact OG-CB 3.21Å
147	D	93.9	Very high	93.7	Very high	79 Å²	79	54.2 Å²	54.2	42%	0.422	31%	0.306	S	S	.	.	H	α-helix	trans	-67.1	-38.8	179.3	-65.2	-17.6	0	0	0	110.7	R143 C145 T150 G151	R143-D147 IonicContact NE-OD2 3.53Å; R143-D147 VanDerWaalsContact O-CG 3.25Å; R143-D147 PolarHBondContact O-N 3.39Å; C145-D147 PolarHBondContact O-N 3.44Å; D147-T150 WeakPolarHBondContact O-CB 3.39Å; D147-T150 PolarHBondContact O-N 2.86Å; D147-G151 PolarHBondContact O-N 2.98Å; D147-G151 VanDerWaalsContact O-N 3.12Å
148	F	94.9	Very high	93.6	Very high	56 Å²	56	49.3 Å²	49.3	25%	0.246	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-50.8	172.7	-176.4	-87.2	0	0	0	111.7	V121 H123 V126 A144 C145 T150 G151 T152	V121-F148 HydrophobicContact CB-CD2 4.4Å; V121-F148 HydrophobicContact CG1-CB 3.91Å; V121-F148 HydrophobicContact CG1-CD1 4.09Å; V121-F148 HydrophobicContact CG1-CD2 4.07Å; V121-F148 HydrophobicContact CG1-CG 3.75Å; H123-F148 AromaticContact CD2-CZ 3.91Å; H123-F148 AromaticContact CE1-CZ 3.94Å; H123-F148 AromaticContact CG-CZ 3.94Å; H123-F148 AromaticContact ND1-CE1 3.85Å; H123-F148 AromaticContact ND1-CZ 3.95Å; H123-F148 AromaticContact NE2-CZ 3.9Å; V126-F148 HydrophobicContact CB-CD1 4.09Å; V126-F148 HydrophobicContact CB-CE1 4.3Å; V126-F148 HydrophobicContact CG1-CD1 4.32Å; V126-F148 HydrophobicContact CG1-CE1 4.22Å; V126-F148 HydrophobicContact CG2-CD1 3.86Å; A144-F148 WeakPolarHBondContact O-CB 3.29Å; A144-F148 PolarHBondContact O-N 3.41Å; C145-F148 PolarHBondContact O-N 2.93Å; F148-T150 VanDerWaalsContact C-N 3.27Å; F148-T150 PolarHBondContact O-N 3.47Å; F148-G151 PolarHBondContact O-N 3.22Å; F148-T152 HydrophobicContact CD1-CG2 4.29Å; F148-T152 HydrophobicContact CE1-CG2 3.97Å; F148-T152 HydrophobicContact CZ-CG2 4.44Å; F148-T152 WeakPolarHBondContact O-CG2 3.47Å; F148-T152 PolarHBondContact O-N 2.83Å
149	L	94.5	Very high	93.5	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-38.6	179.8	-71.2	174.2	0	0	0	112	V126 F130 C145 S146 G151 T152 L153 L161 L173	V126-L149 HydrophobicContact CB-CD2 4.43Å; V126-L149 HydrophobicContact CG1-CD2 3.84Å; V126-L149 HydrophobicContact CG2-CD1 4.24Å; V126-L149 HydrophobicContact CG2-CD2 3.69Å; V126-L149 HydrophobicContact CG2-CG 3.7Å; F130-L149 HydrophobicContact CD1-CD1 4.07Å; F130-L149 HydrophobicContact CD2-CD1 4.26Å; F130-L149 HydrophobicContact CE1-CD1 4.23Å; F130-L149 HydrophobicContact CE2-CD1 4.41Å; F130-L149 HydrophobicContact CG-CD1 4.07Å; F130-L149 HydrophobicContact CZ-CD1 4.38Å; C145-L149 VanDerWaalsContact O-CG 3.3Å; C145-L149 WeakPolarHBondContact O-CG 3.4Å; C145-L149 PolarHBondContact O-N 2.89Å; S146-L149 PolarHBondContact O-N 3.18Å; L149-G151 VanDerWaalsContact C-N 3.32Å; L149-G151 PolarHBondContact O-N 3.4Å; L149-T152 PolarHBondContact O-N 2.88Å; L149-T152 PolarHBondContact O-OG1 2.69Å; L149-L153 PolarHBondContact O-N 3.04Å; L149-L161 HydrophobicContact CB-CD2 4.23Å; L149-L161 HydrophobicContact CD1-CD2 4.44Å; L149-L161 HydrophobicContact CD2-CD2 3.87Å; L149-L161 HydrophobicContact CG-CD2 4.4Å; L149-L173 HydrophobicContact CB-CD1 4.06Å; L149-L173 HydrophobicContact CB-CD2 4.08Å; L149-L173 HydrophobicContact CD1-CD2 3.89Å
150	T	94.1	Very high	93.5	Very high	22 Å²	22	51.9 Å²	51.9	14%	0.135	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-44.5	173.9	-60.5	0	0	0	0	111.3	S146 D147 F148 T152 L153 L173 Q176	S146-T150 WeakPolarHBondContact O-CB 3.32Å; S146-T150 PolarHBondContact O-N 3.04Å; S146-T150 PolarHBondContact O-OG1 3.38Å; D147-T150 WeakPolarHBondContact O-CB 3.39Å; D147-T150 PolarHBondContact O-N 2.86Å; F148-T150 VanDerWaalsContact C-N 3.27Å; F148-T150 PolarHBondContact O-N 3.47Å; T150-T152 PolarHBondContact O-N 3.41Å; T150-T152 VanDerWaalsContact O-N 3.14Å; T150-L153 HydrophobicContact CG2-CD1 4.16Å; T150-L153 WeakPolarHBondContact O-CB 3.4Å; T150-L153 WeakPolarHBondContact O-CD1 3.4Å; T150-L153 WeakPolarHBondContact O-CG 3.27Å; T150-L153 PolarHBondContact O-N 3.29Å; T150-L173 WeakPolarHBondContact OG1-CD1 3.35Å; T150-Q176 HydrophobicContact CG2-CB 4.23Å; T150-Q176 HydrophobicContact CG2-CG 4.43Å
151	G	93.3	Very high	93.4	Very high	73 Å²	73	47.1 Å²	47.1	75%	0.753	26%	0.26	S	S	*	.	H	α-helix	trans	-65.7	-12.2	176.5	0	0	0	0	0	114.6	D147 F148 L149	D147-G151 PolarHBondContact O-N 2.98Å; D147-G151 VanDerWaalsContact O-N 3.12Å; F148-G151 PolarHBondContact O-N 3.22Å; L149-G151 VanDerWaalsContact C-N 3.32Å; L149-G151 PolarHBondContact O-N 3.4Å
152	T	93.3	Very high	93.4	Very high	29 Å²	29	47.1 Å²	47.1	18%	0.178	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	6.4	177.4	67	0	0	0	0	113.6	H123 F148 L149 T150 E154 N157	H123-T152 WeakPolarHBondContact CE1-CG2 3.16Å; F148-T152 HydrophobicContact CD1-CG2 4.29Å; F148-T152 HydrophobicContact CE1-CG2 3.97Å; F148-T152 HydrophobicContact CZ-CG2 4.44Å; F148-T152 WeakPolarHBondContact O-CG2 3.47Å; F148-T152 PolarHBondContact O-N 2.83Å; L149-T152 PolarHBondContact O-N 2.88Å; L149-T152 PolarHBondContact O-OG1 2.69Å; T150-T152 PolarHBondContact O-N 3.41Å; T150-T152 VanDerWaalsContact O-N 3.14Å; T152-E154 PolarHBondContact O-N 3.19Å; T152-N157 PolarHBondContact O-ND2 2.96Å
153	L	93.8	Very high	93.3	Very high	28 Å²	28	48.1 Å²	48.1	15%	0.147	28%	0.275	C	S	.	.			trans	-60.5	118.7	-178.4	-80.4	165.7	0	0	0	111.6	L149 T150 L161 Q176 A177 F180	L149-L153 PolarHBondContact O-N 3.04Å; T150-L153 HydrophobicContact CG2-CD1 4.16Å; T150-L153 WeakPolarHBondContact O-CB 3.4Å; T150-L153 WeakPolarHBondContact O-CD1 3.4Å; T150-L153 WeakPolarHBondContact O-CG 3.27Å; T150-L153 PolarHBondContact O-N 3.29Å; L153-L161 HydrophobicContact CD2-CB 4.23Å; L153-L161 HydrophobicContact CD2-CD1 3.6Å; L153-L161 HydrophobicContact CG-CD1 4.14Å; L153-Q176 HydrophobicContact CD1-CB 4.39Å; L153-A177 HydrophobicContact CD2-CB 3.92Å; L153-F180 HydrophobicContact CB-CD2 4.23Å; L153-F180 HydrophobicContact CB-CE2 4.4Å; L153-F180 HydrophobicContact CB-CG 4.49Å
154	E	93.7	Very high	93.1	Very high	118 Å²	118	41.9 Å²	41.9	55%	0.551	25%	0.254	S	S	*	.			trans	-136.2	163.9	178.1	-69.5	-175.7	176.9	0	0	110.3	T152 S156 N157 C158	T152-E154 PolarHBondContact O-N 3.19Å; E154-S156 PolarHBondContact O-N 3.13Å; E154-N157 PolarHBondContact N-OD1 3.45Å; E154-N157 PolarHBondContact O-N 3.44Å; E154-N157 PolarHBondContact O-OD1 3.48Å; E154-C158 WeakPolarHBondContact O-CB 3.3Å; E154-C158 PolarHBondContact O-N 2.87Å
155	L	91.4	Very high	93.1	Very high	65 Å²	65	39.8 Å²	39.8	34%	0.34	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36	176.5	-72.9	172.5	0	0	0	112.8	C158 F180 N184 D187	L155-C158 PolarHBondContact O-SG 3.44Å; L155-C158 VanDerWaalsContact O-SG 3.32Å; L155-F180 HydrophobicContact CD2-CE1 4.45Å; L155-N184 HydrophobicContact CD2-CB 3.66Å; L155-D187 HydrophobicContact CD1-CB 4.19Å; L155-D187 HydrophobicContact CD2-CB 4.28Å
156	S	91	Very high	92.9	Very high	82 Å²	82	46.4 Å²	46.4	57%	0.573	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-25.5	-176.5	60.2	0	0	0	0	113.9	E154	E154-S156 PolarHBondContact O-N 3.13Å
157	N	91.9	Very high	92.8	Very high	28 Å²	28	49.4 Å²	49.4	15%	0.15	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-9.3	-171.8	70.3	14.5	0	0	0	113.9	T152 E154 L159 M160 L161	T152-N157 PolarHBondContact O-ND2 2.96Å; E154-N157 PolarHBondContact N-OD1 3.45Å; E154-N157 PolarHBondContact O-N 3.44Å; E154-N157 PolarHBondContact O-OD1 3.48Å; N157-L159 VanDerWaalsContact C-N 3.33Å; N157-L159 PolarHBondContact O-N 3.2Å; N157-M160 HydrophobicContact CB-CE 4.38Å; N157-M160 WeakPolarHBondContact O-CB 3.36Å; N157-M160 PolarHBondContact O-N 3.42Å; N157-L161 HydrophobicContact CB-CD1 4.46Å; N157-L161 PolarHBondContact O-N 2.95Å
158	C	93.5	Very high	92.6	Very high	2 Å²	2	49 Å²	49	1%	0.014	29%	0.292	C	S	.	.	H	α-helix	trans	-55.1	-43	-174.3	61.5	0	0	0	0	113.8	E154 L155 L161 L162 F180 V181	E154-C158 WeakPolarHBondContact O-CB 3.3Å; E154-C158 PolarHBondContact O-N 2.87Å; L155-C158 PolarHBondContact O-SG 3.44Å; L155-C158 VanDerWaalsContact O-SG 3.32Å; C158-L161 PolarHBondContact O-N 2.7Å; C158-L162 WeakPolarHBondContact O-CB 3.37Å; C158-L162 WeakPolarHBondContact O-CG 3.47Å; C158-L162 PolarHBondContact O-N 3.12Å; C158-F180 HydrophobicContact CB-CD1 3.72Å; C158-F180 HydrophobicContact CB-CE1 3.92Å; C158-V181 HydrophobicContact CB-CG2 3.91Å
159	L	92.5	Very high	92.4	Very high	31 Å²	31	49.2 Å²	49.2	16%	0.162	31%	0.311	C	S	.	.	H	α-helix	trans	-68.5	-36	178.5	-65.2	-177.6	0	0	0	112.6	N157 L162 A163 V181 L188 D193 M197	N157-L159 VanDerWaalsContact C-N 3.33Å; N157-L159 PolarHBondContact O-N 3.2Å; L159-L162 HydrophobicContact CD2-CD1 4.3Å; L159-A163 PolarHBondContact O-N 2.98Å; L159-A163 VanDerWaalsContact O-N 3.13Å; L159-V181 HydrophobicContact CD2-CG2 4.38Å; L159-L188 HydrophobicContact CD1-CD1 4.29Å; L159-L188 HydrophobicContact CD2-CD2 4.15Å; L159-L188 HydrophobicContact CG-CD1 4.48Å; L159-L188 HydrophobicContact CG-CD2 4.38Å; L159-D193 HydrophobicContact CD1-CB 4.17Å; L159-D193 WeakPolarHBondContact CD1-O 3.44Å; L159-M197 HydrophobicContact CD1-CB 4.35Å; L159-M197 HydrophobicContact CD2-CE 3.81Å; L159-M197 HydrophobicContact CD2-CG 4.12Å
160	M	91.8	Very high	92.2	Very high	108 Å²	108	49.2 Å²	49.2	53%	0.532	31%	0.311	S	S	.	.	H	α-helix	trans	-68.4	-46.3	175.4	-177.5	-171.2	74.8	0	0	110.6	N157 L162 A163 L164	N157-M160 HydrophobicContact CB-CE 4.38Å; N157-M160 WeakPolarHBondContact O-CB 3.36Å; N157-M160 PolarHBondContact O-N 3.42Å; M160-L162 VanDerWaalsContact C-N 3.31Å; M160-L162 PolarHBondContact O-N 2.91Å; M160-A163 PolarHBondContact O-N 3.48Å; M160-L164 HydrophobicContact CE-CD1 4.23Å; M160-L164 HydrophobicContact CG-CD1 4.06Å; M160-L164 VanDerWaalsContact O-CG 3.32Å; M160-L164 WeakPolarHBondContact O-CG 3.37Å; M160-L164 PolarHBondContact O-N 3.15Å
161	L	93.1	Very high	92.2	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-35.4	178.1	-70	178.1	0	0	0	112	L149 L153 N157 C158 L164 A165	L149-L161 HydrophobicContact CB-CD2 4.23Å; L149-L161 HydrophobicContact CD1-CD2 4.44Å; L149-L161 HydrophobicContact CD2-CD2 3.87Å; L149-L161 HydrophobicContact CG-CD2 4.4Å; L153-L161 HydrophobicContact CD2-CB 4.23Å; L153-L161 HydrophobicContact CD2-CD1 3.6Å; L153-L161 HydrophobicContact CG-CD1 4.14Å; N157-L161 HydrophobicContact CB-CD1 4.46Å; N157-L161 PolarHBondContact O-N 2.95Å; C158-L161 PolarHBondContact O-N 2.7Å; L161-L164 HydrophobicContact CD2-CD1 4.14Å; L161-L164 PolarHBondContact O-N 3.02Å; L161-A165 VanDerWaalsContact O-CB 3.27Å; L161-A165 WeakPolarHBondContact O-CB 3.34Å; L161-A165 PolarHBondContact O-N 3.05Å
162	L	92.6	Very high	92.1	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-58.5	-51.3	169.6	-85.5	172.8	0	0	0	112	C158 L159 M160 L164 A165 E166 L174 A177 N178 V181 V201	C158-L162 WeakPolarHBondContact O-CB 3.37Å; C158-L162 WeakPolarHBondContact O-CG 3.47Å; C158-L162 PolarHBondContact O-N 3.12Å; L159-L162 HydrophobicContact CD2-CD1 4.3Å; M160-L162 VanDerWaalsContact C-N 3.31Å; M160-L162 PolarHBondContact O-N 2.91Å; L162-L164 VanDerWaalsContact C-N 3.29Å; L162-L164 PolarHBondContact O-N 3.33Å; L162-A165 PolarHBondContact O-N 3.49Å; L162-E166 PolarHBondContact O-N 3.17Å; L162-L174 HydrophobicContact CD2-CD1 3.83Å; L162-A177 HydrophobicContact CD2-CB 3.59Å; L162-A177 HydrophobicContact CG-CB 3.69Å; L162-N178 HydrophobicContact CD2-CB 4.32Å; L162-N178 VanDerWaalsContact CD2-OD1 3.29Å; L162-N178 WeakPolarHBondContact CD2-OD1 3.34Å; L162-V181 HydrophobicContact CD1-CB 4.28Å; L162-V181 HydrophobicContact CD1-CG2 3.53Å; L162-V201 HydrophobicContact CD1-CG1 3.98Å; L162-V201 HydrophobicContact CD1-CG2 4.45Å
163	A	91.6	Very high	92.2	Very high	58 Å²	58	49.4 Å²	49.4	48%	0.479	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-37.1	179.2	0	0	0	0	0	112.1	L159 M160 G167	L159-A163 PolarHBondContact O-N 2.98Å; L159-A163 VanDerWaalsContact O-N 3.13Å; M160-A163 PolarHBondContact O-N 3.48Å; A163-G167 PolarHBondContact O-N 3.32Å
164	L	91.4	Very high	92.2	Very high	43 Å²	43	50.5 Å²	50.5	23%	0.225	31%	0.313	C	S	.	.	H	α-helix	trans	-66.9	-43.6	174.2	-71	169	0	0	0	111.7	M160 L161 L162 G167 Y168	M160-L164 HydrophobicContact CE-CD1 4.23Å; M160-L164 HydrophobicContact CG-CD1 4.06Å; M160-L164 VanDerWaalsContact O-CG 3.32Å; M160-L164 WeakPolarHBondContact O-CG 3.37Å; M160-L164 PolarHBondContact O-N 3.15Å; L161-L164 HydrophobicContact CD2-CD1 4.14Å; L161-L164 PolarHBondContact O-N 3.02Å; L162-L164 VanDerWaalsContact C-N 3.29Å; L162-L164 PolarHBondContact O-N 3.33Å; L164-G167 PolarHBondContact O-N 3.47Å; L164-Y168 HydrophobicContact CD2-CD2 4.35Å; L164-Y168 HydrophobicContact CD2-CE2 3.79Å; L164-Y168 VanDerWaalsContact O-CD2 3.24Å; L164-Y168 WeakPolarHBondContact O-CD2 3.5Å; L164-Y168 PolarHBondContact O-N 3.42Å
165	A	93.1	Very high	92.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-43.6	178.9	0	0	0	0	0	111.8	L161 L162 G169 S170 L173 L174	L161-A165 VanDerWaalsContact O-CB 3.27Å; L161-A165 WeakPolarHBondContact O-CB 3.34Å; L161-A165 PolarHBondContact O-N 3.05Å; L162-A165 PolarHBondContact O-N 3.49Å; A165-G169 CarbonylContact O-C 3.56Å; A165-G169 WeakPolarHBondContact O-CA 3.35Å; A165-G169 PolarHBondContact O-N 2.79Å; A165-S170 PolarHBondContact O-N 3.46Å; A165-L173 HydrophobicContact CB-CB 3.89Å; A165-L173 HydrophobicContact CB-CD2 3.86Å; A165-L173 HydrophobicContact CB-CG 3.77Å; A165-L174 HydrophobicContact CB-CB 3.83Å; A165-L174 HydrophobicContact CB-CD1 4.29Å
166	E	91.8	Very high	92.3	Very high	139 Å²	139	50.6 Å²	50.6	65%	0.65	31%	0.312	S	S	*	.	H	α-helix	trans	-65.6	-45.5	174.9	-171.2	176	-173.5	0	0	111.2	L162 Y168 G169 L174	L162-E166 PolarHBondContact O-N 3.17Å; E166-Y168 PolarHBondContact O-N 3.31Å; E166-G169 PolarHBondContact O-N 3.17Å; E166-L174 HydrophobicContact CB-CD1 4.23Å
167	G	90.8	Very high	92.5	Very high	65 Å²	65	46.7 Å²	46.7	67%	0.67	29%	0.285	S	S	*	.	H	α-helix	trans	-63.9	-34.6	-178.8	0	0	0	0	0	114.4	A163 L164	A163-G167 PolarHBondContact O-N 3.32Å; L164-G167 PolarHBondContact O-N 3.47Å
168	Y	91.3	Very high	92.6	Very high	69 Å²	69	46.8 Å²	46.8	27%	0.271	29%	0.285	S	S	.	.	H	α-helix	trans	-102.3	-1	-179.6	-66.3	-62.7	0	0	0	114.5	F130 Q131 S134 L164 E166	F130-Y168 AromaticContact CD1-CD2 3.66Å; F130-Y168 HydrophobicContact CD1-CD2 3.66Å; F130-Y168 HydrophobicContact CD1-CE2 4.26Å; F130-Y168 HydrophobicContact CD1-CG 4.19Å; F130-Y168 AromaticContact CE1-CD2 3.61Å; F130-Y168 HydrophobicContact CE1-CD2 3.61Å; F130-Y168 HydrophobicContact CE1-CG 4.03Å; Q131-Y168 HydrophobicContact CB-CE1 3.92Å; Q131-Y168 HydrophobicContact CG-CE1 3.75Å; Q131-Y168 WeakPolarHBondContact CG-OH 3.26Å; Q131-Y168 PolarHBondContact OE1-OH 3Å; S134-Y168 PolarHBondContact OG-O 3.26Å; S134-Y168 VanDerWaalsContact OG-O 3.06Å; L164-Y168 HydrophobicContact CD2-CD2 4.35Å; L164-Y168 HydrophobicContact CD2-CE2 3.79Å; L164-Y168 VanDerWaalsContact O-CD2 3.24Å; L164-Y168 WeakPolarHBondContact O-CD2 3.5Å; L164-Y168 PolarHBondContact O-N 3.42Å; E166-Y168 PolarHBondContact O-N 3.31Å
169	G	89.3	Confident	92.6	Very high	61 Å²	61	51.4 Å²	51.4	63%	0.629	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	28.9	177.1	0	0	0	0	0	115	A165 E166 A171	A165-G169 CarbonylContact O-C 3.56Å; A165-G169 WeakPolarHBondContact O-CA 3.35Å; A165-G169 PolarHBondContact O-N 2.79Å; E166-G169 PolarHBondContact O-N 3.17Å; G169-A171 PolarHBondContact O-N 3.4Å
170	S	92.2	Very high	92.8	Very high	5 Å²	5	52.2 Å²	52.2	4%	0.035	31%	0.309	C	S	.	.			trans	-81.8	98.6	173.3	-176.9	0	0	0	0	110.8	S146 A165 S172 L173 L174	S146-S170 PolarHBondContact OG-OG 3.08Å; A165-S170 PolarHBondContact O-N 3.46Å; S170-S172 VanDerWaalsContact C-N 3.34Å; S170-S172 PolarHBondContact O-N 3.26Å; S170-L173 WeakPolarHBondContact OG-CB 3.38Å; S170-L173 PolarHBondContact OG-N 2.9Å; S170-L174 WeakPolarHBondContact O-CB 3.49Å; S170-L174 PolarHBondContact O-N 3.06Å
171	A	92.3	Very high	93	Very high	76 Å²	76	47.1 Å²	47.1	63%	0.628	28%	0.284	S	S	*	.	H	α-helix	trans	-61.7	-40.1	177.7	0	0	0	0	0	112.8	G169 L174 Q175	G169-A171 PolarHBondContact O-N 3.4Å; A171-L174 PolarHBondContact O-N 2.94Å; A171-Q175 WeakPolarHBondContact O-CB 3.37Å; A171-Q175 PolarHBondContact O-N 2.94Å
172	S	92.1	Very high	93.1	Very high	52 Å²	52	47.3 Å²	47.3	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-49	-179.9	-179.1	0	0	0	0	111.9	S170 L174 Q175 Q176	S170-S172 VanDerWaalsContact C-N 3.34Å; S170-S172 PolarHBondContact O-N 3.26Å; S172-L174 VanDerWaalsContact C-N 3.35Å; S172-Q175 PolarHBondContact O-N 2.95Å; S172-Q176 WeakPolarHBondContact O-CG 3.36Å; S172-Q176 PolarHBondContact O-N 3.48Å; S172-Q176 VanDerWaalsContact O-N 3.1Å; S172-Q176 PolarHBondContact OG-NE2 2.81Å
173	L	94.7	Very high	93.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-40	178	-176.4	62.4	0	0	0	111.2	F130 S146 L149 T150 A165 S170 Q176 A177	F130-L173 HydrophobicContact CZ-CD2 4.13Å; S146-L173 WeakPolarHBondContact OG-CB 3.21Å; L149-L173 HydrophobicContact CB-CD1 4.06Å; L149-L173 HydrophobicContact CB-CD2 4.08Å; L149-L173 HydrophobicContact CD1-CD2 3.89Å; T150-L173 WeakPolarHBondContact OG1-CD1 3.35Å; A165-L173 HydrophobicContact CB-CB 3.89Å; A165-L173 HydrophobicContact CB-CD2 3.86Å; A165-L173 HydrophobicContact CB-CG 3.77Å; S170-L173 WeakPolarHBondContact OG-CB 3.38Å; S170-L173 PolarHBondContact OG-N 2.9Å; L173-Q176 PolarHBondContact O-N 3.44Å; L173-A177 WeakPolarHBondContact O-CB 3.33Å; L173-A177 PolarHBondContact O-N 3.46Å
174	L	93.9	Very high	93.3	Very high	51 Å²	51	51.5 Å²	51.5	27%	0.267	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-44.1	179.2	-177.2	65.2	0	0	0	111.3	L162 A165 E166 S170 A171 S172 N178	L162-L174 HydrophobicContact CD2-CD1 3.83Å; A165-L174 HydrophobicContact CB-CB 3.83Å; A165-L174 HydrophobicContact CB-CD1 4.29Å; E166-L174 HydrophobicContact CB-CD1 4.23Å; S170-L174 WeakPolarHBondContact O-CB 3.49Å; S170-L174 PolarHBondContact O-N 3.06Å; A171-L174 PolarHBondContact O-N 2.94Å; S172-L174 VanDerWaalsContact C-N 3.35Å; L174-N178 VanDerWaalsContact O-CB 3.31Å; L174-N178 WeakPolarHBondContact O-CB 3.49Å; L174-N178 VanDerWaalsContact O-CG 3.31Å; L174-N178 PolarHBondContact O-N 3.02Å; L174-N178 PolarHBondContact O-ND2 3.15Å
175	Q	93.7	Very high	93.5	Very high	116 Å²	116	49.4 Å²	49.4	54%	0.542	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-53.4	176.4	179.7	179.4	-5.9	0	0	111	A171 S172 A177 N178 E179	A171-Q175 WeakPolarHBondContact O-CB 3.37Å; A171-Q175 PolarHBondContact O-N 2.94Å; S172-Q175 PolarHBondContact O-N 2.95Å; Q175-A177 VanDerWaalsContact C-N 3.34Å; Q175-A177 PolarHBondContact O-N 3.47Å; Q175-N178 PolarHBondContact O-N 3.39Å; Q175-E179 VanDerWaalsContact CG-OE1 3.29Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.31Å; Q175-E179 PolarHBondContact NE2-OE1 3.2Å; Q175-E179 WeakPolarHBondContact O-CG 3.31Å; Q175-E179 PolarHBondContact O-N 3.41Å
176	Q	93.8	Very high	93.6	Very high	70 Å²	70	52 Å²	52	33%	0.327	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-37.6	-176.4	-68.6	-174.5	73.2	0	0	112.4	T150 L153 S172 L173 F180	T150-Q176 HydrophobicContact CG2-CB 4.23Å; T150-Q176 HydrophobicContact CG2-CG 4.43Å; L153-Q176 HydrophobicContact CD1-CB 4.39Å; S172-Q176 WeakPolarHBondContact O-CG 3.36Å; S172-Q176 PolarHBondContact O-N 3.48Å; S172-Q176 VanDerWaalsContact O-N 3.1Å; S172-Q176 PolarHBondContact OG-NE2 2.81Å; L173-Q176 PolarHBondContact O-N 3.44Å; Q176-F180 WeakPolarHBondContact O-CB 3.05Å; Q176-F180 PolarHBondContact O-N 2.88Å
177	A	94.8	Very high	93.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-70.8	-34.4	175.9	0	0	0	0	0	112.1	L153 L162 L173 Q175 F180 V181	L153-A177 HydrophobicContact CD2-CB 3.92Å; L162-A177 HydrophobicContact CD2-CB 3.59Å; L162-A177 HydrophobicContact CG-CB 3.69Å; L173-A177 WeakPolarHBondContact O-CB 3.33Å; L173-A177 PolarHBondContact O-N 3.46Å; Q175-A177 VanDerWaalsContact C-N 3.34Å; Q175-A177 PolarHBondContact O-N 3.47Å; A177-F180 PolarHBondContact O-N 3.23Å; A177-V181 WeakPolarHBondContact O-CG2 3.38Å; A177-V181 PolarHBondContact O-N 3.15Å
178	N	94.5	Very high	93.9	Very high	29 Å²	29	46 Å²	46	16%	0.155	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-46.6	173.5	-84	-44	0	0	0	111	L162 L174 Q175 F180 V181 V182 L204	L162-N178 HydrophobicContact CD2-CB 4.32Å; L162-N178 VanDerWaalsContact CD2-OD1 3.29Å; L162-N178 WeakPolarHBondContact CD2-OD1 3.34Å; L174-N178 VanDerWaalsContact O-CB 3.31Å; L174-N178 WeakPolarHBondContact O-CB 3.49Å; L174-N178 VanDerWaalsContact O-CG 3.31Å; L174-N178 PolarHBondContact O-N 3.02Å; L174-N178 PolarHBondContact O-ND2 3.15Å; Q175-N178 PolarHBondContact O-N 3.39Å; N178-F180 VanDerWaalsContact C-N 3.3Å; N178-F180 PolarHBondContact O-N 3.23Å; N178-V181 PolarHBondContact O-N 2.95Å; N178-V182 VanDerWaalsContact O-CG2 3.31Å; N178-V182 WeakPolarHBondContact O-CG2 3.43Å; N178-V182 PolarHBondContact O-N 3.01Å; N178-L204 HydrophobicContact CB-CD2 4.42Å
179	E	94.5	Very high	94.1	Very high	100 Å²	100	42.8 Å²	42.8	47%	0.467	24%	0.242	S	C	.	.	H	α-helix	trans	-57	-45.4	174.4	-72.6	171.4	-167.1	0	0	110.7	Q175 V181 V182 Q183	Q175-E179 VanDerWaalsContact CG-OE1 3.29Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.31Å; Q175-E179 PolarHBondContact NE2-OE1 3.2Å; Q175-E179 WeakPolarHBondContact O-CG 3.31Å; Q175-E179 PolarHBondContact O-N 3.41Å; E179-V181 PolarHBondContact O-N 3.48Å; E179-V182 PolarHBondContact O-N 2.81Å; E179-Q183 WeakPolarHBondContact O-CB 3.46Å; E179-Q183 VanDerWaalsContact O-CG 3.24Å; E179-Q183 WeakPolarHBondContact O-CG 3.29Å; E179-Q183 PolarHBondContact O-N 2.86Å
180	F	95.4	Very high	94.3	Very high	48 Å²	48	45 Å²	45	21%	0.211	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-45	176.4	-174	-87.4	0	0	0	112.6	L153 L155 C158 Q176 A177 N178 Q183 N184	L153-F180 HydrophobicContact CB-CD2 4.23Å; L153-F180 HydrophobicContact CB-CE2 4.4Å; L153-F180 HydrophobicContact CB-CG 4.49Å; L155-F180 HydrophobicContact CD2-CE1 4.45Å; C158-F180 HydrophobicContact CB-CD1 3.72Å; C158-F180 HydrophobicContact CB-CE1 3.92Å; Q176-F180 WeakPolarHBondContact O-CB 3.05Å; Q176-F180 PolarHBondContact O-N 2.88Å; A177-F180 PolarHBondContact O-N 3.23Å; N178-F180 VanDerWaalsContact C-N 3.3Å; N178-F180 PolarHBondContact O-N 3.23Å; F180-Q183 PolarHBondContact O-N 3.34Å; F180-N184 HydrophobicContact CE1-CB 4.43Å; F180-N184 WeakPolarHBondContact O-CB 3.38Å; F180-N184 PolarHBondContact O-N 3.14Å; F180-N184 PolarHBondContact O-ND2 2.96Å
181	V	95.4	Very high	94.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-40.3	178.8	169.8	0	0	0	0	111.8	C158 L159 L162 A177 N178 E179 N184 F185 L188 M197 V201	C158-V181 HydrophobicContact CB-CG2 3.91Å; L159-V181 HydrophobicContact CD2-CG2 4.38Å; L162-V181 HydrophobicContact CD1-CB 4.28Å; L162-V181 HydrophobicContact CD1-CG2 3.53Å; A177-V181 WeakPolarHBondContact O-CG2 3.38Å; A177-V181 PolarHBondContact O-N 3.15Å; N178-V181 PolarHBondContact O-N 2.95Å; E179-V181 PolarHBondContact O-N 3.48Å; V181-N184 CarbonylContact O-C 3.56Å; V181-N184 PolarHBondContact O-N 2.78Å; V181-F185 WeakPolarHBondContact O-CA 3.44Å; V181-F185 PolarHBondContact O-N 2.93Å; V181-L188 HydrophobicContact CG1-CD2 3.82Å; V181-L188 HydrophobicContact CG2-CD2 4.4Å; V181-M197 HydrophobicContact CG1-CE 4.06Å; V181-V201 HydrophobicContact CG1-CG1 4.22Å
182	V	95.8	Very high	94.3	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-42.4	176.6	172	0	0	0	0	111.1	N178 E179 N184 L204 S210 S212	N178-V182 VanDerWaalsContact O-CG2 3.31Å; N178-V182 WeakPolarHBondContact O-CG2 3.43Å; N178-V182 PolarHBondContact O-N 3.01Å; E179-V182 PolarHBondContact O-N 2.81Å; V182-N184 VanDerWaalsContact C-N 3.34Å; V182-L204 HydrophobicContact CG2-CD2 3.87Å; V182-S210 WeakPolarHBondContact CG1-O 3.4Å; V182-S212 WeakPolarHBondContact O-CB 3.31Å; V182-S212 PolarHBondContact O-N 3.05Å
183	Q	94.4	Very high	94.2	Very high	105 Å²	105	48.8 Å²	48.8	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-73.1	-23.6	-179.6	-67.7	-63	-15.7	0	0	113.9	E179 F180 S212	E179-Q183 WeakPolarHBondContact O-CB 3.46Å; E179-Q183 VanDerWaalsContact O-CG 3.24Å; E179-Q183 WeakPolarHBondContact O-CG 3.29Å; E179-Q183 PolarHBondContact O-N 2.86Å; F180-Q183 PolarHBondContact O-N 3.34Å; Q183-S212 VanDerWaalsContact C-CB 3.43Å; Q183-S212 WeakPolarHBondContact O-CB 3.24Å; Q183-S212 PolarHBondContact O-OG 3.48Å
184	N	94.7	Very high	94.1	Very high	44 Å²	44	48.8 Å²	48.8	24%	0.235	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	18.8	-179.2	-64.7	-83.6	0	0	0	113	L155 F180 V181 V182 H186 D187 L188	L155-N184 HydrophobicContact CD2-CB 3.66Å; F180-N184 HydrophobicContact CE1-CB 4.43Å; F180-N184 WeakPolarHBondContact O-CB 3.38Å; F180-N184 PolarHBondContact O-N 3.14Å; F180-N184 PolarHBondContact O-ND2 2.96Å; V181-N184 CarbonylContact O-C 3.56Å; V181-N184 PolarHBondContact O-N 2.78Å; V182-N184 VanDerWaalsContact C-N 3.34Å; N184-H186 VanDerWaalsContact C-N 3.31Å; N184-H186 PolarHBondContact O-N 2.93Å; N184-D187 PolarHBondContact O-N 3.41Å; N184-L188 WeakPolarHBondContact O-CB 3.48Å; N184-L188 PolarHBondContact O-N 3.18Å
185	F	96.1	Very high	94.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.6	-40.6	-173.1	-178.2	-91.1	0	0	0	112.8	V181 D187 L188 S189 F194 L202 C205 L206 L211 V213	V181-F185 WeakPolarHBondContact O-CA 3.44Å; V181-F185 PolarHBondContact O-N 2.93Å; F185-D187 PolarHBondContact O-N 3.3Å; F185-L188 PolarHBondContact O-N 2.97Å; F185-S189 VanDerWaalsContact O-CB 3.26Å; F185-S189 WeakPolarHBondContact O-CB 3.43Å; F185-S189 PolarHBondContact O-N 3.43Å; F185-F194 AromaticContact CE2-CE2 3.84Å; F185-F194 HydrophobicContact CE2-CE2 3.84Å; F185-F194 AromaticContact CZ-CE2 3.89Å; F185-F194 HydrophobicContact CZ-CE2 3.89Å; F185-F194 HydrophobicContact CZ-CZ 4.27Å; F185-L202 HydrophobicContact CE2-CD1 3.85Å; F185-L202 HydrophobicContact CZ-CD1 4.03Å; F185-C205 HydrophobicContact CD2-CB 3.75Å; F185-C205 HydrophobicContact CE2-CB 3.83Å; F185-L206 HydrophobicContact CZ-CD2 4.05Å; F185-L211 HydrophobicContact CB-CD1 3.54Å; F185-L211 HydrophobicContact CD1-CD1 3.73Å; F185-L211 HydrophobicContact CD1-CG 4.41Å; F185-L211 HydrophobicContact CD2-CD1 3.81Å; F185-L211 HydrophobicContact CE1-CD1 4.36Å; F185-L211 HydrophobicContact CE2-CD1 4.42Å; F185-L211 HydrophobicContact CG-CD1 3.41Å; F185-L211 VanDerWaalsContact CG-CD1 3.41Å; F185-L211 HydrophobicContact CG-CG 4.5Å; F185-V213 HydrophobicContact CD1-CG1 3.62Å; F185-V213 HydrophobicContact CE1-CG1 4.14Å
186	H	95.4	Very high	93.9	Very high	54 Å²	54	47.6 Å²	47.6	25%	0.25	25%	0.245	C	C	.	.	H	α-helix	trans	-54.1	-54.7	177.1	174.3	-99.7	0	0	0	112.1	N184 S189 S212 P214	N184-H186 VanDerWaalsContact C-N 3.31Å; N184-H186 PolarHBondContact O-N 2.93Å; H186-S189 PolarHBondContact O-N 2.92Å; H186-S189 PolarHBondContact O-OG 3.05Å; H186-S212 WeakPolarHBondContact CB-O 3.46Å; H186-S212 PolarHBondContact N-O 3.39Å; H186-S212 VanDerWaalsContact N-O 3.15Å; H186-P214 WeakPolarHBondContact CD2-CD 3.13Å
187	D	94.5	Very high	93.9	Very high	78 Å²	78	44.3 Å²	44.3	42%	0.417	23%	0.23	S	C	.	.	H	α-helix	trans	-69.8	-39.8	-175.7	-62	-23.6	0	0	0	110.8	L155 N184 F185 S189 M190	L155-D187 HydrophobicContact CD1-CB 4.19Å; L155-D187 HydrophobicContact CD2-CB 4.28Å; N184-D187 PolarHBondContact O-N 3.41Å; F185-D187 PolarHBondContact O-N 3.3Å; D187-S189 VanDerWaalsContact C-N 3.3Å; D187-S189 PolarHBondContact O-N 3.44Å; D187-M190 WeakPolarHBondContact O-CB 3.32Å; D187-M190 PolarHBondContact O-N 3.25Å; D187-M190 VanDerWaalsContact O-N 3.14Å
188	L	94.3	Very high	93.7	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-42.7	173.4	-174.6	62.8	0	0	0	111.1	L159 V181 N184 F185 M190 T191 F194 M197	L159-L188 HydrophobicContact CD1-CD1 4.29Å; L159-L188 HydrophobicContact CD2-CD2 4.15Å; L159-L188 HydrophobicContact CG-CD1 4.48Å; L159-L188 HydrophobicContact CG-CD2 4.38Å; V181-L188 HydrophobicContact CG1-CD2 3.82Å; V181-L188 HydrophobicContact CG2-CD2 4.4Å; N184-L188 WeakPolarHBondContact O-CB 3.48Å; N184-L188 PolarHBondContact O-N 3.18Å; F185-L188 PolarHBondContact O-N 2.97Å; L188-M190 PolarHBondContact O-N 2.98Å; L188-T191 WeakPolarHBondContact O-CB 3.43Å; L188-T191 PolarHBondContact O-N 2.94Å; L188-T191 PolarHBondContact O-OG1 2.72Å; L188-F194 HydrophobicContact CG-CB 4.4Å; L188-F194 WeakPolarHBondContact O-CB 3.36Å; L188-M197 HydrophobicContact CD2-CE 3.31Å; L188-M197 HydrophobicContact CG-CE 4.2Å
189	S	94.3	Very high	93.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-16.2	-179.5	80.1	0	0	0	0	114.3	F185 H186 D187 S222 R225	F185-S189 VanDerWaalsContact O-CB 3.26Å; F185-S189 WeakPolarHBondContact O-CB 3.43Å; F185-S189 PolarHBondContact O-N 3.43Å; H186-S189 PolarHBondContact O-N 2.92Å; H186-S189 PolarHBondContact O-OG 3.05Å; D187-S189 VanDerWaalsContact C-N 3.3Å; D187-S189 PolarHBondContact O-N 3.44Å; S189-S222 VanDerWaalsContact CB-OG 3.3Å; S189-S222 WeakPolarHBondContact CB-OG 3.33Å; S189-S222 PolarHBondContact OG-OG 2.94Å; S189-R225 PolarHBondContact O-NH1 2.87Å
190	M	92.8	Very high	93.5	Very high	106 Å²	106	45.9 Å²	45.9	52%	0.522	26%	0.256	S	S	.	.	H	α-helix	trans	-83.5	-27.8	174.1	-60.5	-58.6	171.6	0	0	112.6	D187 L188 R225	D187-M190 WeakPolarHBondContact O-CB 3.32Å; D187-M190 PolarHBondContact O-N 3.25Å; D187-M190 VanDerWaalsContact O-N 3.14Å; L188-M190 PolarHBondContact O-N 2.98Å; M190-R225 VanDerWaalsContact CA-NH1 3.32Å; M190-R225 PolarHBondContact O-NH1 2.61Å; M190-R225 PolarHBondContact O-NH2 2.99Å; M190-R225 VanDerWaalsContact O-NH2 3.09Å
191	T	93.5	Very high	93.4	Very high	43 Å²	43	44.3 Å²	44.3	26%	0.264	25%	0.251	S	S	.	.	S	Bend	trans	-69.9	168.1	-178.4	72.2	0	0	0	0	113.5	L188 F194 R225	L188-T191 WeakPolarHBondContact O-CB 3.43Å; L188-T191 PolarHBondContact O-N 2.94Å; L188-T191 PolarHBondContact O-OG1 2.72Å; T191-F194 PolarHBondContact OG1-N 2.93Å; T191-R225 PolarHBondContact O-NH2 3.03Å
192	T	91	Very high	93.4	Very high	99 Å²	99	44.3 Å²	44.3	61%	0.607	25%	0.25	S	S	*	.	S	Bend	trans	-75.3	-34.8	170.9	45.7	0	0	0	0	112.1	F194 L195	T192-F194 PolarHBondContact O-N 2.91Å; T192-L195 VanDerWaalsContact O-CB 3.27Å; T192-L195 WeakPolarHBondContact O-CB 3.4Å; T192-L195 WeakPolarHBondContact O-CG 3.34Å; T192-L195 PolarHBondContact O-N 2.92Å
193	D	90.3	Very high	93.4	Very high	71 Å²	71	45.3 Å²	45.3	38%	0.38	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-64.7	-28.5	-173.9	-55	-14	0	0	0	111.5	L159 L195 D196 M197	L159-D193 HydrophobicContact CD1-CB 4.17Å; L159-D193 WeakPolarHBondContact CD1-O 3.44Å; D193-L195 PolarHBondContact O-N 3.1Å; D193-D196 PolarHBondContact O-N 3.4Å; D193-D196 VanDerWaalsContact O-N 3.09Å; D193-M197 PolarHBondContact O-N 3.32Å
194	F	93.5	Very high	93.4	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-54.8	-33.2	170.2	173.6	-101	0	0	0	113.8	F185 L188 T191 T192 D196 M197 L202 S222 W226	F185-F194 AromaticContact CE2-CE2 3.84Å; F185-F194 HydrophobicContact CE2-CE2 3.84Å; F185-F194 AromaticContact CZ-CE2 3.89Å; F185-F194 HydrophobicContact CZ-CE2 3.89Å; F185-F194 HydrophobicContact CZ-CZ 4.27Å; L188-F194 HydrophobicContact CG-CB 4.4Å; L188-F194 WeakPolarHBondContact O-CB 3.36Å; T191-F194 PolarHBondContact OG1-N 2.93Å; T192-F194 PolarHBondContact O-N 2.91Å; F194-D196 PolarHBondContact O-N 3Å; F194-M197 HydrophobicContact CD2-CE 3.72Å; F194-M197 HydrophobicContact CD2-SD 4.27Å; F194-M197 HydrophobicContact CE2-CE 4.12Å; F194-M197 HydrophobicContact CE2-SD 4.21Å; F194-M197 WeakPolarHBondContact O-CB 3.31Å; F194-M197 PolarHBondContact O-N 2.86Å; F194-M197 VanDerWaalsContact O-N 3.15Å; F194-L202 HydrophobicContact CE2-CD1 4.11Å; F194-L202 HydrophobicContact CZ-CD1 4.25Å; F194-S222 WeakPolarHBondContact CE1-O 3.49Å; F194-W226 HydrophobicContact CE1-CB 3.83Å; F194-W226 HydrophobicContact CZ-CB 4.08Å
195	L	92.9	Very high	93.4	Very high	28 Å²	28	42 Å²	42	15%	0.147	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-66.5	-24.9	-179.2	-57.7	178.6	0	0	0	112.3	T192 D193 R225 H229 R234	T192-L195 VanDerWaalsContact O-CB 3.27Å; T192-L195 WeakPolarHBondContact O-CB 3.4Å; T192-L195 WeakPolarHBondContact O-CG 3.34Å; T192-L195 PolarHBondContact O-N 2.92Å; D193-L195 PolarHBondContact O-N 3.1Å; L195-R225 HydrophobicContact CD2-CG 3.83Å; L195-H229 HydrophobicContact CB-CB 4.38Å; L195-H229 HydrophobicContact CD2-CB 4.26Å; L195-R234 PolarHBondContact O-NH1 3.25Å; L195-R234 PolarHBondContact O-NH2 2.78Å
196	D	90.6	Very high	93.4	Very high	114 Å²	114	42 Å²	42	61%	0.61	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-96.5	1.3	178.6	-66.1	-43.3	0	0	0	112.9	D193 F194	D193-D196 PolarHBondContact O-N 3.4Å; D193-D196 VanDerWaalsContact O-N 3.09Å; F194-D196 PolarHBondContact O-N 3Å
197	M	92.6	Very high	93.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	25%	0.249	C	C	.	.			trans	-56	131.4	177.7	-175.3	-174.8	-78.1	0	0	111.3	L159 V181 L188 D193 F194 V201 L202 W226	L159-M197 HydrophobicContact CD1-CB 4.35Å; L159-M197 HydrophobicContact CD2-CE 3.81Å; L159-M197 HydrophobicContact CD2-CG 4.12Å; V181-M197 HydrophobicContact CG1-CE 4.06Å; L188-M197 HydrophobicContact CD2-CE 3.31Å; L188-M197 HydrophobicContact CG-CE 4.2Å; D193-M197 PolarHBondContact O-N 3.32Å; F194-M197 HydrophobicContact CD2-CE 3.72Å; F194-M197 HydrophobicContact CD2-SD 4.27Å; F194-M197 HydrophobicContact CE2-CE 4.12Å; F194-M197 HydrophobicContact CE2-SD 4.21Å; F194-M197 WeakPolarHBondContact O-CB 3.31Å; F194-M197 PolarHBondContact O-N 2.86Å; F194-M197 VanDerWaalsContact O-N 3.15Å; M197-V201 HydrophobicContact CG-CB 4.07Å; M197-V201 HydrophobicContact CG-CG1 4.1Å; M197-V201 HydrophobicContact SD-CB 4.42Å; M197-V201 HydrophobicContact SD-CG1 4.07Å; M197-L202 HydrophobicContact SD-CB 3.92Å; M197-L202 HydrophobicContact SD-CD1 4.16Å; M197-W226 PolarHBondContact O-NE1 2.79Å
198	P	91.9	Very high	93.4	Very high	70 Å²	70	39.2 Å²	39.2	46%	0.455	24%	0.24	S	C	.	.			trans	-60.9	146.7	174.7	-22.9	33.2	0	0	0	112.6	G200 V201 L202	P198-G200 VanDerWaalsContact C-N 3.3Å; P198-G200 PolarHBondContact O-N 3.33Å; P198-V201 HydrophobicContact CB-CG2 4.29Å; P198-V201 HydrophobicContact CG-CG2 4.38Å; P198-V201 PolarHBondContact O-N 3.14Å; P198-L202 PolarHBondContact O-N 3.18Å; P198-L202 VanDerWaalsContact O-N 3.15Å
199	L	92.8	Very high	93.3	Very high	44 Å²	44	44.2 Å²	44.2	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-56.2	-42.8	180	177.2	66.6	0	0	0	112.5	V201 L202 E203 W226 L237 L241	L199-V201 VanDerWaalsContact C-N 3.32Å; L199-V201 PolarHBondContact O-N 3.04Å; L199-L202 PolarHBondContact O-N 3.35Å; L199-E203 HydrophobicContact CD1-CG 3.99Å; L199-E203 HydrophobicContact CG-CG 4.2Å; L199-E203 WeakPolarHBondContact O-CG 3.4Å; L199-E203 PolarHBondContact O-N 2.72Å; L199-W226 HydrophobicContact CB-CH2 4.36Å; L199-W226 HydrophobicContact CD1-CH2 3.88Å; L199-W226 HydrophobicContact CD1-CZ3 4.32Å; L199-L237 HydrophobicContact CD1-CD1 4.18Å; L199-L237 HydrophobicContact CD2-CD1 3.89Å; L199-L237 HydrophobicContact CD2-CD2 4.19Å; L199-L241 HydrophobicContact CD1-CD2 3.92Å
200	G	92.4	Very high	93.2	Very high	48 Å²	48	47.3 Å²	47.3	50%	0.495	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-39.2	-178	0	0	0	0	0	112.9	P198 L204	P198-G200 VanDerWaalsContact C-N 3.3Å; P198-G200 PolarHBondContact O-N 3.33Å; G200-L204 WeakPolarHBondContact O-CB 3.46Å; G200-L204 PolarHBondContact O-N 3.45Å
201	V	93.1	Very high	93.4	Very high	15 Å²	15	42.2 Å²	42.2	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-68.4	-43	176.6	-179.5	0	0	0	0	110.5	L162 V181 M197 P198 L199 L204 C205	L162-V201 HydrophobicContact CD1-CG1 3.98Å; L162-V201 HydrophobicContact CD1-CG2 4.45Å; V181-V201 HydrophobicContact CG1-CG1 4.22Å; M197-V201 HydrophobicContact CG-CB 4.07Å; M197-V201 HydrophobicContact CG-CG1 4.1Å; M197-V201 HydrophobicContact SD-CB 4.42Å; M197-V201 HydrophobicContact SD-CG1 4.07Å; P198-V201 HydrophobicContact CB-CG2 4.29Å; P198-V201 HydrophobicContact CG-CG2 4.38Å; P198-V201 PolarHBondContact O-N 3.14Å; L199-V201 VanDerWaalsContact C-N 3.32Å; L199-V201 PolarHBondContact O-N 3.04Å; V201-L204 PolarHBondContact O-N 3.43Å; V201-C205 PolarHBondContact O-N 3.07Å; V201-C205 PolarHBondContact O-SG 3.12Å
202	L	95.2	Very high	93.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-44.3	177.2	-178	61.2	0	0	0	111.6	F185 F194 M197 P198 L199 L204 C205 L206 W226 L241	F185-L202 HydrophobicContact CE2-CD1 3.85Å; F185-L202 HydrophobicContact CZ-CD1 4.03Å; F194-L202 HydrophobicContact CE2-CD1 4.11Å; F194-L202 HydrophobicContact CZ-CD1 4.25Å; M197-L202 HydrophobicContact SD-CB 3.92Å; M197-L202 HydrophobicContact SD-CD1 4.16Å; P198-L202 PolarHBondContact O-N 3.18Å; P198-L202 VanDerWaalsContact O-N 3.15Å; L199-L202 PolarHBondContact O-N 3.35Å; L202-L204 VanDerWaalsContact C-N 3.34Å; L202-L204 PolarHBondContact O-N 3.49Å; L202-C205 PolarHBondContact O-N 3.48Å; L202-L206 HydrophobicContact CD1-CD1 4.24Å; L202-L206 HydrophobicContact CD1-CD2 4.39Å; L202-L206 HydrophobicContact CD1-CG 4.08Å; L202-L206 HydrophobicContact CG-CD1 4.15Å; L202-L206 HydrophobicContact CG-CG 4.33Å; L202-L206 WeakPolarHBondContact O-CG 3.29Å; L202-L206 PolarHBondContact O-N 3.07Å; L202-W226 HydrophobicContact CD2-CB 4.26Å; L202-W226 HydrophobicContact CD2-CD2 3.57Å; L202-W226 HydrophobicContact CD2-CE3 3.82Å; L202-W226 HydrophobicContact CD2-CG 3.76Å; L202-W226 HydrophobicContact CD2-CZ3 4.4Å; L202-L241 HydrophobicContact CD2-CD1 3.98Å; L202-L241 HydrophobicContact CD2-CD2 4.09Å; L202-L241 HydrophobicContact CG-CD2 4.28Å
203	E	95.5	Very high	93.5	Very high	29 Å²	29	37.4 Å²	37.4	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-41.7	176.9	-72.6	178.2	163.4	0	0	111.9	L199 C205 L206 G207 R240 L241 L244	L199-E203 HydrophobicContact CD1-CG 3.99Å; L199-E203 HydrophobicContact CG-CG 4.2Å; L199-E203 WeakPolarHBondContact O-CG 3.4Å; L199-E203 PolarHBondContact O-N 2.72Å; E203-C205 VanDerWaalsContact C-N 3.33Å; E203-C205 PolarHBondContact O-N 2.95Å; E203-L206 PolarHBondContact O-N 2.88Å; E203-G207 PolarHBondContact O-N 3.25Å; E203-R240 VanDerWaalsContact CD-NH2 3.26Å; E203-R240 WeakPolarHBondContact OE1-CD 3.24Å; E203-R240 IonicContact OE1-CZ 3.84Å; E203-R240 IonicContact OE1-NE 3.05Å; E203-R240 PolarHBondContact OE1-NE 3.25Å; E203-R240 IonicContact OE1-NH1 3.96Å; E203-R240 PolarHBondContact OE1-NH1 3.15Å; E203-R240 IonicContact OE1-NH2 2.87Å; E203-R240 PolarHBondContact OE1-NH2 3.06Å; E203-R240 IonicContact OE2-CZ 3.27Å; E203-R240 IonicContact OE2-NE 3.94Å; E203-R240 IonicContact OE2-NH1 3.18Å; E203-R240 PolarHBondContact OE2-NH1 2.86Å; E203-R240 IonicContact OE2-NH2 2.78Å; E203-R240 PolarHBondContact OE2-NH2 2.91Å; E203-L241 HydrophobicContact CG-CD2 3.86Å; E203-L244 HydrophobicContact CB-CD1 3.85Å; E203-L244 HydrophobicContact CG-CD1 3.86Å
204	L	94.3	Very high	93.6	Very high	78 Å²	78	36.5 Å²	36.5	41%	0.408	23%	0.233	S	C	.	.	H	α-helix	trans	-59.5	-43.9	173.8	-175.5	153.3	0	0	0	111.3	N178 V182 G200 V201 L202 S208	N178-L204 HydrophobicContact CB-CD2 4.42Å; V182-L204 HydrophobicContact CG2-CD2 3.87Å; G200-L204 WeakPolarHBondContact O-CB 3.46Å; G200-L204 PolarHBondContact O-N 3.45Å; V201-L204 PolarHBondContact O-N 3.43Å; L202-L204 VanDerWaalsContact C-N 3.34Å; L202-L204 PolarHBondContact O-N 3.49Å; L204-S208 VanDerWaalsContact O-CB 3.31Å; L204-S208 WeakPolarHBondContact O-CB 3.46Å; L204-S208 PolarHBondContact O-N 3.22Å
205	C	95.3	Very high	93.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-53	177.5	-64.9	0	0	0	0	111.7	F185 V201 L202 E203 G207 S208 L211	F185-C205 HydrophobicContact CD2-CB 3.75Å; F185-C205 HydrophobicContact CE2-CB 3.83Å; V201-C205 PolarHBondContact O-N 3.07Å; V201-C205 PolarHBondContact O-SG 3.12Å; L202-C205 PolarHBondContact O-N 3.48Å; E203-C205 VanDerWaalsContact C-N 3.33Å; E203-C205 PolarHBondContact O-N 2.95Å; C205-G207 VanDerWaalsContact C-N 3.26Å; C205-G207 PolarHBondContact O-N 3.27Å; C205-S208 PolarHBondContact O-N 3.48Å; C205-S208 VanDerWaalsContact O-N 3.09Å; C205-L211 HydrophobicContact CB-CD1 4Å; C205-L211 WeakPolarHBondContact O-CD1 3.38Å
206	L	95.2	Very high	93.7	Very high	0 Å²	0	37 Å²	37	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-33.1	-176.8	-63.3	-175.8	0	0	0	112.3	F185 L202 E203 L211 S223 L241 L244 L245 R293	F185-L206 HydrophobicContact CZ-CD2 4.05Å; L202-L206 HydrophobicContact CD1-CD1 4.24Å; L202-L206 HydrophobicContact CD1-CD2 4.39Å; L202-L206 HydrophobicContact CD1-CG 4.08Å; L202-L206 HydrophobicContact CG-CD1 4.15Å; L202-L206 HydrophobicContact CG-CG 4.33Å; L202-L206 WeakPolarHBondContact O-CG 3.29Å; L202-L206 PolarHBondContact O-N 3.07Å; E203-L206 PolarHBondContact O-N 2.88Å; L206-L211 HydrophobicContact CD2-CD2 4.34Å; L206-S223 WeakPolarHBondContact CD1-OG 3.27Å; L206-L241 HydrophobicContact CD1-CB 4.1Å; L206-L241 HydrophobicContact CD1-CD2 4.01Å; L206-L244 HydrophobicContact CB-CB 4.02Å; L206-L244 HydrophobicContact CB-CD1 4.45Å; L206-L245 HydrophobicContact CD1-CG 4.4Å; L206-L245 HydrophobicContact CD2-CD2 3.8Å; L206-L245 HydrophobicContact CD2-CG 4.46Å; L206-R293 VanDerWaalsContact O-CZ 3.32Å; L206-R293 PolarHBondContact O-NH1 3.42Å; L206-R293 PolarHBondContact O-NH2 2.93Å
207	G	94.4	Very high	93.8	Very high	43 Å²	43	33.3 Å²	33.3	44%	0.443	22%	0.217	S	C	.	.	H	α-helix	trans	-79	-11.9	175.8	0	0	0	0	0	115.3	E203 C205	E203-G207 PolarHBondContact O-N 3.25Å; C205-G207 VanDerWaalsContact C-N 3.26Å; C205-G207 PolarHBondContact O-N 3.27Å
208	S	94.9	Very high	93.9	Very high	32 Å²	32	34.3 Å²	34.3	22%	0.224	22%	0.224	C	C	.	.			trans	-86.9	123.9	-172.3	177.5	0	0	0	0	113.5	L204 C205 S210 L211 R293	L204-S208 VanDerWaalsContact O-CB 3.31Å; L204-S208 WeakPolarHBondContact O-CB 3.46Å; L204-S208 PolarHBondContact O-N 3.22Å; C205-S208 PolarHBondContact O-N 3.48Å; C205-S208 VanDerWaalsContact O-N 3.09Å; S208-S210 PolarHBondContact O-N 3.02Å; S208-S210 PolarHBondContact OG-N 3.31Å; S208-L211 WeakPolarHBondContact O-CB 3.3Å; S208-L211 PolarHBondContact O-N 3.33Å; S208-R293 VanDerWaalsContact C-NH1 3.32Å; S208-R293 PolarHBondContact O-NH1 2.83Å
209	D	92.8	Very high	94.1	Very high	105 Å²	105	31 Å²	31	56%	0.561	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.3	178.6	-62.4	-6.3	0	0	0	113.7	L211 R246 P294	D209-L211 VanDerWaalsContact C-N 3.33Å; D209-L211 PolarHBondContact O-N 3.04Å; D209-R246 IonicContact OD1-CZ 3.35Å; D209-R246 IonicContact OD1-NH2 3.16Å; D209-R246 PolarHBondContact OD1-NH2 3.4Å; D209-R246 IonicContact OD2-NH2 3.32Å; D209-P294 WeakPolarHBondContact O-CD 3.42Å
210	S	93.2	Very high	94.2	Very high	66 Å²	66	29 Å²	29	46%	0.462	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	9	178.9	-51.7	0	0	0	0	114.5	V182 S208 S212	V182-S210 WeakPolarHBondContact CG1-O 3.4Å; S208-S210 PolarHBondContact O-N 3.02Å; S208-S210 PolarHBondContact OG-N 3.31Å; S210-S212 PolarHBondContact O-N 3.29Å; S210-S212 VanDerWaalsContact O-N 3.13Å
211	L	95.3	Very high	94.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.19	C	C	.	.			trans	-55	118	179.2	-177.5	68.7	0	0	0	111.6	F185 C205 L206 S208 D209 V213 A219 A295	F185-L211 HydrophobicContact CB-CD1 3.54Å; F185-L211 HydrophobicContact CD1-CD1 3.73Å; F185-L211 HydrophobicContact CD1-CG 4.41Å; F185-L211 HydrophobicContact CD2-CD1 3.81Å; F185-L211 HydrophobicContact CE1-CD1 4.36Å; F185-L211 HydrophobicContact CE2-CD1 4.42Å; F185-L211 HydrophobicContact CG-CD1 3.41Å; F185-L211 VanDerWaalsContact CG-CD1 3.41Å; F185-L211 HydrophobicContact CG-CG 4.5Å; C205-L211 HydrophobicContact CB-CD1 4Å; C205-L211 WeakPolarHBondContact O-CD1 3.38Å; L206-L211 HydrophobicContact CD2-CD2 4.34Å; S208-L211 WeakPolarHBondContact O-CB 3.3Å; S208-L211 PolarHBondContact O-N 3.33Å; D209-L211 VanDerWaalsContact C-N 3.33Å; D209-L211 PolarHBondContact O-N 3.04Å; L211-V213 HydrophobicContact CD2-CG1 4.24Å; L211-V213 HydrophobicContact CD2-CG2 4.21Å; L211-V213 HydrophobicContact CG-CG1 4.13Å; L211-V213 HydrophobicContact CG-CG2 4.28Å; L211-V213 PolarHBondContact O-N 3.09Å; L211-A219 HydrophobicContact CD2-CB 4.25Å; L211-A295 WeakPolarHBondContact O-CB 3.45Å
212	S	93.9	Very high	94.4	Very high	36 Å²	36	32.1 Å²	32.1	25%	0.252	19%	0.188	S	C	.	.			trans	-83.8	95.7	-179.7	-176.4	0	0	0	0	111	V182 Q183 H186 S210	V182-S212 WeakPolarHBondContact O-CB 3.31Å; V182-S212 PolarHBondContact O-N 3.05Å; Q183-S212 VanDerWaalsContact C-CB 3.43Å; Q183-S212 WeakPolarHBondContact O-CB 3.24Å; Q183-S212 PolarHBondContact O-OG 3.48Å; H186-S212 WeakPolarHBondContact CB-O 3.46Å; H186-S212 PolarHBondContact N-O 3.39Å; H186-S212 VanDerWaalsContact N-O 3.15Å; S210-S212 PolarHBondContact O-N 3.29Å; S210-S212 VanDerWaalsContact O-N 3.13Å
213	V	94.3	Very high	94.3	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.024	19%	0.188	C	C	.	.			trans	-139.1	144.4	174	-72.5	0	0	0	0	110.3	F185 L211 S215 A219 T296	F185-V213 HydrophobicContact CD1-CG1 3.62Å; F185-V213 HydrophobicContact CE1-CG1 4.14Å; L211-V213 HydrophobicContact CD2-CG1 4.24Å; L211-V213 HydrophobicContact CD2-CG2 4.21Å; L211-V213 HydrophobicContact CG-CG1 4.13Å; L211-V213 HydrophobicContact CG-CG2 4.28Å; L211-V213 PolarHBondContact O-N 3.09Å; V213-S215 VanDerWaalsContact C-N 3.25Å; V213-S215 PolarHBondContact O-N 2.9Å; V213-A219 HydrophobicContact CG1-CB 4.35Å; V213-A219 HydrophobicContact CG2-CB 4.45Å; V213-T296 HydrophobicContact CG2-CG2 3.94Å
214	P	91.9	Very high	94.2	Very high	52 Å²	52	31.3 Å²	31.3	34%	0.338	18%	0.184	S	C	.	.	S	Bend	trans	-69.2	-25.9	178.4	28.4	-35.8	0	0	0	112.5	H186 V218	H186-P214 WeakPolarHBondContact CD2-CD 3.13Å; P214-V218 HydrophobicContact CG-CB 4.38Å; P214-V218 HydrophobicContact CG-CG2 3.89Å
215	S	93.6	Very high	94.2	Very high	36 Å²	36	31.6 Å²	31.6	25%	0.252	18%	0.18	S	C	.	.			trans	-158.9	155.4	173.8	66.7	0	0	0	0	111.2	V213 E217 V218	V213-S215 VanDerWaalsContact C-N 3.25Å; V213-S215 PolarHBondContact O-N 2.9Å; S215-E217 PolarHBondContact O-N 3.26Å; S215-V218 PolarHBondContact O-N 3.14Å
216	E	94.2	Very high	94.3	Very high	4 Å²	4	32 Å²	32	2%	0.019	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-26.2	173.5	-79.4	-73.8	159.8	0	0	112.7	V218 A219 V220 R246 H249 V250 R293 T296	E216-V218 VanDerWaalsContact C-N 3.27Å; E216-V218 PolarHBondContact O-N 2.79Å; E216-A219 PolarHBondContact O-N 3.46Å; E216-V220 WeakPolarHBondContact O-CG2 3.46Å; E216-V220 PolarHBondContact O-N 3.37Å; E216-R246 PolarHBondContact OE2-N 3.01Å; E216-H249 HydrophobicContact CB-CB 4.29Å; E216-H249 HydrophobicContact CG-CB 3.86Å; E216-V250 HydrophobicContact CB-CG2 3.7Å; E216-R293 IonicContact OE1-CZ 3.79Å; E216-R293 IonicContact OE1-NE 3.39Å; E216-R293 PolarHBondContact OE1-NE 3.37Å; E216-R293 IonicContact OE1-NH2 3.2Å; E216-R293 PolarHBondContact OE1-NH2 2.74Å; E216-T296 HydrophobicContact CG-CG2 4.46Å
217	E	94.1	Very high	94.2	Very high	36 Å²	36	32 Å²	32	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-39.5	172.7	176.3	176.7	152.2	0	0	111.9	S215 V220 R221 V250 T254	S215-E217 PolarHBondContact O-N 3.26Å; E217-V220 PolarHBondContact O-N 3.21Å; E217-R221 WeakPolarHBondContact O-CG 3.38Å; E217-R221 PolarHBondContact O-N 3.02Å; E217-R221 IonicContact OE1-CZ 2.69Å; E217-R221 IonicContact OE1-NH1 3.98Å; E217-R221 PolarHBondContact OE1-NH1 2.79Å; E217-R221 IonicContact OE1-NH2 3.04Å; E217-R221 PolarHBondContact OE1-NH2 2.81Å; E217-V250 HydrophobicContact CB-CG1 4.22Å; E217-T254 HydrophobicContact CG-CG2 3.71Å; E217-T254 VanDerWaalsContact OE2-CG2 3.25Å; E217-T254 WeakPolarHBondContact OE2-CG2 3.44Å; E217-T254 PolarHBondContact OE2-OG1 2.73Å
218	V	94.3	Very high	94	Very high	23 Å²	23	33.3 Å²	33.3	14%	0.139	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-41.3	176.8	177.7	0	0	0	0	110.6	P214 S215 E216 V220 R221 S222	P214-V218 HydrophobicContact CG-CB 4.38Å; P214-V218 HydrophobicContact CG-CG2 3.89Å; S215-V218 PolarHBondContact O-N 3.14Å; E216-V218 VanDerWaalsContact C-N 3.27Å; E216-V218 PolarHBondContact O-N 2.79Å; V218-V220 VanDerWaalsContact C-N 3.33Å; V218-V220 PolarHBondContact O-N 3.44Å; V218-R221 PolarHBondContact O-N 3.43Å; V218-R221 VanDerWaalsContact O-N 3.16Å; V218-S222 WeakPolarHBondContact O-CB 3.41Å; V218-S222 PolarHBondContact O-N 3.3Å; V218-S222 PolarHBondContact O-OG 2.9Å
219	A	95.3	Very high	93.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-39.7	176.8	0	0	0	0	0	112.5	L211 V213 E216 S222 S223 L245	L211-A219 HydrophobicContact CD2-CB 4.25Å; V213-A219 HydrophobicContact CG1-CB 4.35Å; V213-A219 HydrophobicContact CG2-CB 4.45Å; E216-A219 PolarHBondContact O-N 3.46Å; A219-S222 PolarHBondContact O-N 2.8Å; A219-S223 PolarHBondContact O-N 3.21Å; A219-S223 PolarHBondContact O-OG 3.27Å; A219-L245 HydrophobicContact CB-CD2 3.5Å
220	V	94.8	Very high	93.8	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-48.3	171.9	175.2	0	0	0	0	111	E216 E217 V218 S222 S223 L224 L242 L245 L247 V250 L258	E216-V220 WeakPolarHBondContact O-CG2 3.46Å; E216-V220 PolarHBondContact O-N 3.37Å; E217-V220 PolarHBondContact O-N 3.21Å; V218-V220 VanDerWaalsContact C-N 3.33Å; V218-V220 PolarHBondContact O-N 3.44Å; V220-S222 PolarHBondContact O-N 3.42Å; V220-S223 WeakPolarHBondContact O-CB 3.19Å; V220-S223 PolarHBondContact O-N 3.13Å; V220-L224 HydrophobicContact CG1-CD1 4.19Å; V220-L224 WeakPolarHBondContact O-CG 3.32Å; V220-L224 PolarHBondContact O-N 3.37Å; V220-L242 HydrophobicContact CG1-CD2 4.47Å; V220-L245 HydrophobicContact CB-CD1 4.4Å; V220-L245 HydrophobicContact CG2-CD1 3.88Å; V220-L247 HydrophobicContact CG2-CD2 3.64Å; V220-V250 HydrophobicContact CG2-CG2 4.13Å; V220-L258 HydrophobicContact CG1-CD1 4.06Å
221	R	94.2	Very high	93.6	Very high	121 Å²	121	35.1 Å²	35.1	46%	0.457	18%	0.183	S	C	.	.	H	α-helix	trans	-62.7	-40.5	178.4	-75.6	-170.6	178.9	121.2	9	112.8	E217 V218 S223 L224 R225	E217-R221 WeakPolarHBondContact O-CG 3.38Å; E217-R221 PolarHBondContact O-N 3.02Å; E217-R221 IonicContact OE1-CZ 2.69Å; E217-R221 IonicContact OE1-NH1 3.98Å; E217-R221 PolarHBondContact OE1-NH1 2.79Å; E217-R221 IonicContact OE1-NH2 3.04Å; E217-R221 PolarHBondContact OE1-NH2 2.81Å; V218-R221 PolarHBondContact O-N 3.43Å; V218-R221 VanDerWaalsContact O-N 3.16Å; R221-S223 VanDerWaalsContact C-N 3.31Å; R221-S223 PolarHBondContact O-N 3.48Å; R221-L224 PolarHBondContact O-N 3.09Å; R221-R225 WeakPolarHBondContact O-CB 3.47Å; R221-R225 PolarHBondContact O-N 3.48Å
222	S	95.1	Very high	93.1	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.049	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-39.5	176.7	-60.1	0	0	0	0	111.2	S189 F194 V218 A219 V220 R225 W226	S189-S222 VanDerWaalsContact CB-OG 3.3Å; S189-S222 WeakPolarHBondContact CB-OG 3.33Å; S189-S222 PolarHBondContact OG-OG 2.94Å; F194-S222 WeakPolarHBondContact CE1-O 3.49Å; V218-S222 WeakPolarHBondContact O-CB 3.41Å; V218-S222 PolarHBondContact O-N 3.3Å; V218-S222 PolarHBondContact O-OG 2.9Å; A219-S222 PolarHBondContact O-N 2.8Å; V220-S222 PolarHBondContact O-N 3.42Å; S222-R225 PolarHBondContact O-N 2.59Å; S222-W226 PolarHBondContact O-N 3.09Å
223	S	94.7	Very high	92.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-40	175.1	-57.3	0	0	0	0	112.6	L206 A219 V220 R221 T227	L206-S223 WeakPolarHBondContact CD1-OG 3.27Å; A219-S223 PolarHBondContact O-N 3.21Å; A219-S223 PolarHBondContact O-OG 3.27Å; V220-S223 WeakPolarHBondContact O-CB 3.19Å; V220-S223 PolarHBondContact O-N 3.13Å; R221-S223 VanDerWaalsContact C-N 3.31Å; R221-S223 PolarHBondContact O-N 3.48Å; S223-T227 WeakPolarHBondContact O-CB 3.36Å; S223-T227 PolarHBondContact O-N 3.39Å; S223-T227 PolarHBondContact O-OG1 3.05Å
224	L	93.3	Very high	92.8	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.058	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-43.9	173.3	-69.6	169.7	0	0	0	111.5	V220 R221 W226 T227 S228 L238 E262 L264 L265	V220-L224 HydrophobicContact CG1-CD1 4.19Å; V220-L224 WeakPolarHBondContact O-CG 3.32Å; V220-L224 PolarHBondContact O-N 3.37Å; R221-L224 PolarHBondContact O-N 3.09Å; L224-W226 PolarHBondContact O-N 3.22Å; L224-T227 PolarHBondContact O-N 2.93Å; L224-S228 WeakPolarHBondContact O-CB 3.39Å; L224-S228 PolarHBondContact O-N 3.23Å; L224-S228 PolarHBondContact O-OG 2.99Å; L224-L238 HydrophobicContact CD2-CD1 4.13Å; L224-L238 HydrophobicContact CD2-CD2 4.1Å; L224-E262 HydrophobicContact CD1-CG 4Å; L224-L264 HydrophobicContact CD2-CB 4.36Å; L224-L264 HydrophobicContact CD2-CD1 4.29Å; L224-L265 HydrophobicContact CD1-CD1 4.39Å; L224-L265 HydrophobicContact CD2-CD2 4.14Å; L224-L265 HydrophobicContact CD2-CG 4.16Å
225	R	94.3	Very high	92.7	Very high	85 Å²	85	48.7 Å²	48.7	32%	0.321	24%	0.242	S	C	.	.	H	α-helix	trans	-58.3	-49.2	176.3	-178.7	-177.9	173	179.7	-1.9	111	S189 M190 T191 L195 R221 S222 T227 S228 H229	S189-R225 PolarHBondContact O-NH1 2.87Å; M190-R225 VanDerWaalsContact CA-NH1 3.32Å; M190-R225 PolarHBondContact O-NH1 2.61Å; M190-R225 PolarHBondContact O-NH2 2.99Å; M190-R225 VanDerWaalsContact O-NH2 3.09Å; T191-R225 PolarHBondContact O-NH2 3.03Å; L195-R225 HydrophobicContact CD2-CG 3.83Å; R221-R225 WeakPolarHBondContact O-CB 3.47Å; R221-R225 PolarHBondContact O-N 3.48Å; S222-R225 PolarHBondContact O-N 2.59Å; R225-T227 VanDerWaalsContact C-N 3.34Å; R225-T227 PolarHBondContact O-N 2.85Å; R225-S228 PolarHBondContact O-N 3.44Å; R225-S228 PolarHBondContact O-OG 2.97Å; R225-H229 PolarHBondContact O-N 3.31Å
226	W	95.7	Very high	92.5	Very high	7 Å²	7	57.7 Å²	57.7	3%	0.027	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-41.8	177.1	-177.1	91.6	0	0	0	112.3	F194 M197 L199 L202 S222 L224 R234 L237 L241	F194-W226 HydrophobicContact CE1-CB 3.83Å; F194-W226 HydrophobicContact CZ-CB 4.08Å; M197-W226 PolarHBondContact O-NE1 2.79Å; L199-W226 HydrophobicContact CB-CH2 4.36Å; L199-W226 HydrophobicContact CD1-CH2 3.88Å; L199-W226 HydrophobicContact CD1-CZ3 4.32Å; L202-W226 HydrophobicContact CD2-CB 4.26Å; L202-W226 HydrophobicContact CD2-CD2 3.57Å; L202-W226 HydrophobicContact CD2-CE3 3.82Å; L202-W226 HydrophobicContact CD2-CG 3.76Å; L202-W226 HydrophobicContact CD2-CZ3 4.4Å; S222-W226 PolarHBondContact O-N 3.09Å; L224-W226 PolarHBondContact O-N 3.22Å; W226-R234 HydrophobicContact CE3-CB 4.41Å; W226-R234 HydrophobicContact CE3-CG 4.32Å; W226-R234 HydrophobicContact CH2-CB 4.39Å; W226-R234 HydrophobicContact CH2-CG 3.74Å; W226-R234 HydrophobicContact CZ2-CG 4.42Å; W226-R234 HydrophobicContact CZ3-CB 3.85Å; W226-R234 HydrophobicContact CZ3-CG 3.68Å; W226-R234 WeakPolarHBondContact O-CD 3.22Å; W226-R234 PolarHBondContact O-NH1 3.23Å; W226-L237 HydrophobicContact CH2-CD1 4.21Å; W226-L237 HydrophobicContact CZ3-CD1 4.46Å; W226-L241 HydrophobicContact CE3-CD1 3.89Å; W226-L241 HydrophobicContact CZ3-CD1 3.88Å
227	T	93.1	Very high	92.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-41.1	178.4	-57.5	0	0	0	0	111.7	S223 L224 R225 H229 N230 R234 L238 L264	S223-T227 WeakPolarHBondContact O-CB 3.36Å; S223-T227 PolarHBondContact O-N 3.39Å; S223-T227 PolarHBondContact O-OG1 3.05Å; L224-T227 PolarHBondContact O-N 2.93Å; R225-T227 VanDerWaalsContact C-N 3.34Å; R225-T227 PolarHBondContact O-N 2.85Å; T227-H229 PolarHBondContact O-N 3.42Å; T227-N230 CarbonylContact O-C 3.54Å; T227-N230 PolarHBondContact O-N 3.23Å; T227-R234 HydrophobicContact CG2-CB 4.1Å; T227-L238 HydrophobicContact CG2-CB 4.19Å; T227-L264 HydrophobicContact CG2-CD1 4.39Å
228	S	91.3	Very high	92.3	Very high	72 Å²	72	58.1 Å²	58.1	50%	0.503	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-27.5	-177.7	73.4	0	0	0	0	113.5	L224 R225 N230	L224-S228 WeakPolarHBondContact O-CB 3.39Å; L224-S228 PolarHBondContact O-N 3.23Å; L224-S228 PolarHBondContact O-OG 2.99Å; R225-S228 PolarHBondContact O-N 3.44Å; R225-S228 PolarHBondContact O-OG 2.97Å; S228-N230 PolarHBondContact O-N 2.99Å
229	H	92.2	Very high	92.2	Very high	99 Å²	99	57.8 Å²	57.8	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-64.8	-37.2	-179.5	-175.9	72.4	0	0	0	113.1	L195 R225 T227	L195-H229 HydrophobicContact CB-CB 4.38Å; L195-H229 HydrophobicContact CD2-CB 4.26Å; R225-H229 PolarHBondContact O-N 3.31Å; T227-H229 PolarHBondContact O-N 3.42Å
230	N	91.2	Very high	92.2	Very high	63 Å²	63	64.2 Å²	64.2	34%	0.337	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	73.7	175.5	-170.1	-30.3	0	0	0	110.6	T227 S228 Q232 T233 R234	T227-N230 CarbonylContact O-C 3.54Å; T227-N230 PolarHBondContact O-N 3.23Å; S228-N230 PolarHBondContact O-N 2.99Å; N230-Q232 VanDerWaalsContact C-N 3.3Å; N230-Q232 PolarHBondContact O-N 3.44Å; N230-T233 PolarHBondContact ND2-OG1 3.32Å; N230-T233 PolarHBondContact O-N 2.87Å; N230-T233 PolarHBondContact OD1-N 3.01Å; N230-T233 PolarHBondContact OD1-OG1 2.99Å; N230-R234 HydrophobicContact CB-CG 4.11Å; N230-R234 WeakPolarHBondContact O-CB 3.42Å; N230-R234 WeakPolarHBondContact O-CG 3.45Å; N230-R234 PolarHBondContact O-N 3.21Å
231	L	88.4	Confident	92.2	Very high	79 Å²	79	64.1 Å²	64.1	41%	0.414	30%	0.295	S	S	.	.	H	α-helix	trans	-56.5	-41.2	-173.2	-174.7	64.7	0	0	0	113.4	T233 Q235 L264	L231-T233 VanDerWaalsContact C-N 3.32Å; L231-T233 PolarHBondContact O-N 3.39Å; L231-Q235 HydrophobicContact CD1-CB 4.1Å; L231-Q235 HydrophobicContact CD1-CG 4.41Å; L231-Q235 WeakPolarHBondContact O-CB 3.44Å; L231-Q235 PolarHBondContact O-N 3.41Å; L231-Q235 VanDerWaalsContact O-N 3.09Å; L231-L264 HydrophobicContact CD1-CD2 3.25Å
232	Q	86.3	Confident	92.1	Very high	180 Å²	180	58.5 Å²	58.5	84%	0.841	27%	0.274	S	S	*	.	H	α-helix	trans	-63.4	-37.2	-171.6	-65	170.2	5.6	0	0	112.8	N230	N230-Q232 VanDerWaalsContact C-N 3.3Å; N230-Q232 PolarHBondContact O-N 3.44Å
233	T	89.3	Confident	92.1	Very high	86 Å²	86	61.4 Å²	61.4	53%	0.528	30%	0.299	S	S	.	.	H	α-helix	trans	-98	-37.5	-178.6	59.4	0	0	0	0	112	N230 L231	N230-T233 PolarHBondContact ND2-OG1 3.32Å; N230-T233 PolarHBondContact O-N 2.87Å; N230-T233 PolarHBondContact OD1-N 3.01Å; N230-T233 PolarHBondContact OD1-OG1 2.99Å; L231-T233 VanDerWaalsContact C-N 3.32Å; L231-T233 PolarHBondContact O-N 3.39Å
234	R	92	Very high	92.1	Very high	29 Å²	29	64.5 Å²	64.5	11%	0.109	32%	0.315	C	S	.	.	H	α-helix	trans	-86.5	-21.1	-171	-60.1	177.9	178.6	179.6	-1.1	114	L195 W226 T227 N230 R236 L237 L238	L195-R234 PolarHBondContact O-NH1 3.25Å; L195-R234 PolarHBondContact O-NH2 2.78Å; W226-R234 HydrophobicContact CE3-CB 4.41Å; W226-R234 HydrophobicContact CE3-CG 4.32Å; W226-R234 HydrophobicContact CH2-CB 4.39Å; W226-R234 HydrophobicContact CH2-CG 3.74Å; W226-R234 HydrophobicContact CZ2-CG 4.42Å; W226-R234 HydrophobicContact CZ3-CB 3.85Å; W226-R234 HydrophobicContact CZ3-CG 3.68Å; W226-R234 WeakPolarHBondContact O-CD 3.22Å; W226-R234 PolarHBondContact O-NH1 3.23Å; T227-R234 HydrophobicContact CG2-CB 4.1Å; N230-R234 HydrophobicContact CB-CG 4.11Å; N230-R234 WeakPolarHBondContact O-CB 3.42Å; N230-R234 WeakPolarHBondContact O-CG 3.45Å; N230-R234 PolarHBondContact O-N 3.21Å; R234-R236 PolarHBondContact O-N 3.05Å; R234-R236 VanDerWaalsContact O-N 3.17Å; R234-L237 WeakPolarHBondContact O-CA 3.4Å; R234-L237 WeakPolarHBondContact O-CB 3.36Å; R234-L237 PolarHBondContact O-N 3.27Å; R234-L238 PolarHBondContact O-N 3.18Å
235	Q	88.4	Confident	92.2	Very high	81 Å²	81	64.5 Å²	64.5	38%	0.379	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-55.1	-39.2	-178.6	-176.6	178.5	10	0	0	112.8	L231 L237 L238	L231-Q235 HydrophobicContact CD1-CB 4.1Å; L231-Q235 HydrophobicContact CD1-CG 4.41Å; L231-Q235 WeakPolarHBondContact O-CB 3.44Å; L231-Q235 PolarHBondContact O-N 3.41Å; L231-Q235 VanDerWaalsContact O-N 3.09Å; Q235-L237 PolarHBondContact O-N 2.84Å; Q235-L238 WeakPolarHBondContact O-CB 3.31Å; Q235-L238 PolarHBondContact O-N 2.81Å
236	R	89.9	Confident	92.2	Very high	225 Å²	225	61.7 Å²	61.7	85%	0.849	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-69	-18.5	178.6	-63.5	-178.2	-178.7	176	0.6	113.7	R234	R234-R236 PolarHBondContact O-N 3.05Å; R234-R236 VanDerWaalsContact O-N 3.17Å
237	L	91.9	Very high	92	Very high	47 Å²	47	61.9 Å²	61.9	25%	0.246	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-89	-18.1	-179.6	-55.7	174.2	0	0	0	111.8	L199 W226 R234 Q235 R240 L241	L199-L237 HydrophobicContact CD1-CD1 4.18Å; L199-L237 HydrophobicContact CD2-CD1 3.89Å; L199-L237 HydrophobicContact CD2-CD2 4.19Å; W226-L237 HydrophobicContact CH2-CD1 4.21Å; W226-L237 HydrophobicContact CZ3-CD1 4.46Å; R234-L237 WeakPolarHBondContact O-CA 3.4Å; R234-L237 WeakPolarHBondContact O-CB 3.36Å; R234-L237 PolarHBondContact O-N 3.27Å; Q235-L237 PolarHBondContact O-N 2.84Å; L237-R240 WeakPolarHBondContact O-CB 3.49Å; L237-R240 PolarHBondContact O-N 2.82Å; L237-L241 PolarHBondContact O-N 2.98Å; L237-L241 VanDerWaalsContact O-N 3.08Å
238	L	92.7	Very high	92	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-57	-45.2	-175.9	-179.2	63.6	0	0	0	113.7	L224 T227 R234 Q235 R240 L241 L242 L264 L265	L224-L238 HydrophobicContact CD2-CD1 4.13Å; L224-L238 HydrophobicContact CD2-CD2 4.1Å; T227-L238 HydrophobicContact CG2-CB 4.19Å; R234-L238 PolarHBondContact O-N 3.18Å; Q235-L238 WeakPolarHBondContact O-CB 3.31Å; Q235-L238 PolarHBondContact O-N 2.81Å; L238-R240 PolarHBondContact O-N 2.87Å; L238-L241 PolarHBondContact O-N 2.83Å; L238-L241 VanDerWaalsContact O-N 3.14Å; L238-L242 HydrophobicContact CD1-CD1 4.29Å; L238-L242 HydrophobicContact CD1-CD2 4.44Å; L238-L242 HydrophobicContact CD1-CG 4.05Å; L238-L242 HydrophobicContact CG-CD1 4.03Å; L238-L242 HydrophobicContact CG-CG 4.26Å; L238-L242 WeakPolarHBondContact O-CG 3.29Å; L238-L242 PolarHBondContact O-N 3.2Å; L238-L264 HydrophobicContact CD2-CB 3.81Å; L238-L265 HydrophobicContact CD2-CD2 4.3Å
239	P	92.9	Very high	92.1	Very high	16 Å²	16	59.5 Å²	59.5	10%	0.104	29%	0.287	C	S	.	.	H	α-helix	trans	-58.9	-35.9	176.5	-23.4	33.2	0	0	0	112.8	A243 D268 L270	P239-A243 WeakPolarHBondContact O-CB 3.22Å; P239-A243 PolarHBondContact O-N 2.77Å; P239-D268 VanDerWaalsContact CG-OD2 3.24Å; P239-D268 WeakPolarHBondContact CG-OD2 3.36Å; P239-L270 HydrophobicContact CB-CB 4.04Å; P239-L270 HydrophobicContact CB-CD1 4.34Å; P239-L270 HydrophobicContact CG-CB 4.21Å; P239-L270 HydrophobicContact CG-CD1 4.43Å
240	R	94.1	Very high	92.1	Very high	136 Å²	136	54.8 Å²	54.8	51%	0.513	27%	0.265	S	S	.	.	H	α-helix	trans	-67.4	-41.2	177.4	-174.8	179.8	175.7	-149.6	-7.6	111.3	E203 L237 L238 A243	E203-R240 VanDerWaalsContact CD-NH2 3.26Å; E203-R240 WeakPolarHBondContact OE1-CD 3.24Å; E203-R240 IonicContact OE1-CZ 3.84Å; E203-R240 IonicContact OE1-NE 3.05Å; E203-R240 PolarHBondContact OE1-NE 3.25Å; E203-R240 IonicContact OE1-NH1 3.96Å; E203-R240 PolarHBondContact OE1-NH1 3.15Å; E203-R240 IonicContact OE1-NH2 2.87Å; E203-R240 PolarHBondContact OE1-NH2 3.06Å; E203-R240 IonicContact OE2-CZ 3.27Å; E203-R240 IonicContact OE2-NE 3.94Å; E203-R240 IonicContact OE2-NH1 3.18Å; E203-R240 PolarHBondContact OE2-NH1 2.86Å; E203-R240 IonicContact OE2-NH2 2.78Å; E203-R240 PolarHBondContact OE2-NH2 2.91Å; L237-R240 WeakPolarHBondContact O-CB 3.49Å; L237-R240 PolarHBondContact O-N 2.82Å; L238-R240 PolarHBondContact O-N 2.87Å; R240-A243 PolarHBondContact O-N 3.12Å
241	L	94.3	Very high	92.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-42.9	175.7	-63.2	176.2	0	0	0	111.9	L199 L202 E203 L206 W226 L237 L238 A243 L244 L245	L199-L241 HydrophobicContact CD1-CD2 3.92Å; L202-L241 HydrophobicContact CD2-CD1 3.98Å; L202-L241 HydrophobicContact CD2-CD2 4.09Å; L202-L241 HydrophobicContact CG-CD2 4.28Å; E203-L241 HydrophobicContact CG-CD2 3.86Å; L206-L241 HydrophobicContact CD1-CB 4.1Å; L206-L241 HydrophobicContact CD1-CD2 4.01Å; W226-L241 HydrophobicContact CE3-CD1 3.89Å; W226-L241 HydrophobicContact CZ3-CD1 3.88Å; L237-L241 PolarHBondContact O-N 2.98Å; L237-L241 VanDerWaalsContact O-N 3.08Å; L238-L241 PolarHBondContact O-N 2.83Å; L238-L241 VanDerWaalsContact O-N 3.14Å; L241-A243 VanDerWaalsContact C-N 3.27Å; L241-A243 PolarHBondContact O-N 3.48Å; L241-L244 WeakPolarHBondContact O-CB 3.45Å; L241-L244 PolarHBondContact O-N 2.87Å; L241-L244 VanDerWaalsContact O-N 3.13Å; L241-L245 PolarHBondContact O-N 3.39Å
242	L	93.9	Very high	92.3	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-31.7	177.4	-69.4	175.4	0	0	0	112.8	V220 L238 L244 L245 L247 L265 C271 L274	V220-L242 HydrophobicContact CG1-CD2 4.47Å; L238-L242 HydrophobicContact CD1-CD1 4.29Å; L238-L242 HydrophobicContact CD1-CD2 4.44Å; L238-L242 HydrophobicContact CD1-CG 4.05Å; L238-L242 HydrophobicContact CG-CD1 4.03Å; L238-L242 HydrophobicContact CG-CG 4.26Å; L238-L242 WeakPolarHBondContact O-CG 3.29Å; L238-L242 PolarHBondContact O-N 3.2Å; L242-L244 VanDerWaalsContact C-N 3.25Å; L242-L244 PolarHBondContact O-N 2.61Å; L242-L245 HydrophobicContact CD2-CD1 4.13Å; L242-L245 PolarHBondContact O-N 3.1Å; L242-L247 HydrophobicContact CD2-CD2 4.32Å; L242-L265 HydrophobicContact CD1-CD2 3.56Å; L242-L265 HydrophobicContact CD2-CD2 4.48Å; L242-C271 HydrophobicContact CD1-CB 4.07Å; L242-L274 HydrophobicContact CB-CD1 3.98Å
243	A	94.1	Very high	92.6	Very high	69 Å²	69	48.9 Å²	48.9	57%	0.57	24%	0.238	S	C	*	.	H	α-helix	trans	-69	-21.8	175.9	0	0	0	0	0	113.5	P239 R240 L241	P239-A243 WeakPolarHBondContact O-CB 3.22Å; P239-A243 PolarHBondContact O-N 2.77Å; R240-A243 PolarHBondContact O-N 3.12Å; L241-A243 VanDerWaalsContact C-N 3.27Å; L241-A243 PolarHBondContact O-N 3.48Å
244	L	95.2	Very high	92.7	Very high	65 Å²	65	45.3 Å²	45.3	34%	0.34	22%	0.216	S	C	.	.	H	α-helix	trans	-83.6	-18.5	173.7	-61.6	173.9	0	0	0	112.4	E203 L206 L241 L242	E203-L244 HydrophobicContact CB-CD1 3.85Å; E203-L244 HydrophobicContact CG-CD1 3.86Å; L206-L244 HydrophobicContact CB-CB 4.02Å; L206-L244 HydrophobicContact CB-CD1 4.45Å; L241-L244 WeakPolarHBondContact O-CB 3.45Å; L241-L244 PolarHBondContact O-N 2.87Å; L241-L244 VanDerWaalsContact O-N 3.13Å; L242-L244 VanDerWaalsContact C-N 3.25Å; L242-L244 PolarHBondContact O-N 2.61Å
245	L	94.7	Very high	92.7	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.052	21%	0.212	C	C	.	.	S	Bend	trans	-83.8	145.7	179.5	-73.8	168.2	0	0	0	111.1	L206 A219 V220 L241 L242 L247	L206-L245 HydrophobicContact CD1-CG 4.4Å; L206-L245 HydrophobicContact CD2-CD2 3.8Å; L206-L245 HydrophobicContact CD2-CG 4.46Å; A219-L245 HydrophobicContact CB-CD2 3.5Å; V220-L245 HydrophobicContact CB-CD1 4.4Å; V220-L245 HydrophobicContact CG2-CD1 3.88Å; L241-L245 PolarHBondContact O-N 3.39Å; L242-L245 HydrophobicContact CD2-CD1 4.13Å; L242-L245 PolarHBondContact O-N 3.1Å; L245-L247 HydrophobicContact CB-CD2 4.06Å; L245-L247 HydrophobicContact CB-CG 4.43Å; L245-L247 PolarHBondContact O-N 2.97Å
246	R	93.7	Very high	92.8	Very high	27 Å²	27	44.5 Å²	44.5	10%	0.102	21%	0.213	C	C	.	.			trans	-88.4	66.2	179.7	-49.4	-171.6	-174	161.8	-4.2	109.1	D209 E216 H248 H249 D291 A292	D209-R246 IonicContact OD1-CZ 3.35Å; D209-R246 IonicContact OD1-NH2 3.16Å; D209-R246 PolarHBondContact OD1-NH2 3.4Å; D209-R246 IonicContact OD2-NH2 3.32Å; E216-R246 PolarHBondContact OE2-N 3.01Å; R246-H248 PolarHBondContact O-N 3.49Å; R246-H249 WeakPolarHBondContact O-CB 3.4Å; R246-H249 PolarHBondContact O-N 3.43Å; R246-D291 WeakPolarHBondContact CD-O 3.36Å; R246-D291 VanDerWaalsContact CZ-O 3.26Å; R246-D291 PolarHBondContact NE-O 3.14Å; R246-D291 VanDerWaalsContact NH1-C 3.35Å; R246-D291 PolarHBondContact NH1-O 2.83Å; R246-A292 PolarHBondContact NH1-O 3.19Å
247	L	93.2	Very high	92.9	Very high	10 Å²	10	36 Å²	36	5%	0.052	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-53.7	-30.4	-173.3	-62.6	-180	0	0	0	112.7	V220 L242 L245 H249 V250 L255 L274 A278 Q282	V220-L247 HydrophobicContact CG2-CD2 3.64Å; L242-L247 HydrophobicContact CD2-CD2 4.32Å; L245-L247 HydrophobicContact CB-CD2 4.06Å; L245-L247 HydrophobicContact CB-CG 4.43Å; L245-L247 PolarHBondContact O-N 2.97Å; L247-H249 PolarHBondContact O-N 3.05Å; L247-V250 WeakPolarHBondContact O-CB 3.46Å; L247-V250 PolarHBondContact O-N 3.12Å; L247-L255 WeakPolarHBondContact O-CD1 3.49Å; L247-L274 HydrophobicContact CD1-CB 4.08Å; L247-A278 HydrophobicContact CB-CB 3.56Å; L247-Q282 PolarHBondContact O-NE2 3.49Å
248	H	92.4	Very high	92.8	Very high	18 Å²	18	34.3 Å²	34.3	8%	0.083	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-64.5	-13.9	175.6	53.2	-83.9	0	0	0	114.2	R246 R281 Q282 L289 D291	R246-H248 PolarHBondContact O-N 3.49Å; H248-R281 HydrophobicContact CB-CB 4.29Å; H248-Q282 HydrophobicContact CB-CG 4.24Å; H248-Q282 VanDerWaalsContact O-CD 3.32Å; H248-Q282 WeakPolarHBondContact O-CG 3.35Å; H248-Q282 PolarHBondContact O-NE2 2.85Å; H248-L289 HydrophobicContact CB-CD2 4.42Å; H248-D291 IonicContact CD2-OD1 3.18Å; H248-D291 IonicContact CE1-OD1 2.76Å; H248-D291 IonicContact CE1-OD2 3.98Å; H248-D291 PolarHBondContact CE1-OD2 3.4Å; H248-D291 IonicContact NE2-OD1 2.65Å; H248-D291 PolarHBondContact NE2-OD1 2.96Å; H248-D291 IonicContact NE2-OD2 2.76Å; H248-D291 PolarHBondContact NE2-OD2 3Å
249	H	92.5	Very high	92.6	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.019	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-91.6	-0.4	171.3	-70.5	-90.8	0	0	0	113.8	E216 R246 L247 D291 A292 N611 Y613	E216-H249 HydrophobicContact CB-CB 4.29Å; E216-H249 HydrophobicContact CG-CB 3.86Å; R246-H249 WeakPolarHBondContact O-CB 3.4Å; R246-H249 PolarHBondContact O-N 3.43Å; L247-H249 PolarHBondContact O-N 3.05Å; H249-D291 PolarHBondContact NE2-O 2.99Å; H249-D291 IonicContact NE2-OD1 3.8Å; H249-D291 PolarHBondContact NE2-OD1 2.89Å; H249-A292 WeakPolarHBondContact CE1-CA 3.18Å; H249-A292 VanDerWaalsContact CE1-CB 3.48Å; H249-A292 WeakPolarHBondContact CE1-CB 3.37Å; H249-A292 PolarHBondContact CE1-N 3.49Å; H249-N611 PolarHBondContact ND1-ND2 3.32Å; H249-N611 PolarHBondContact ND1-OD1 3.25Å; H249-Y613 WeakPolarHBondContact O-CE1 3.3Å; H249-Y613 PolarHBondContact O-OH 3.28Å
250	V	93.3	Very high	92.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-87.6	136.4	174.5	-178.4	0	0	0	0	109.7	E216 E217 V220 L247 T252 T254 L255 Q282	E216-V250 HydrophobicContact CB-CG2 3.7Å; E217-V250 HydrophobicContact CB-CG1 4.22Å; V220-V250 HydrophobicContact CG2-CG2 4.13Å; L247-V250 WeakPolarHBondContact O-CB 3.46Å; L247-V250 PolarHBondContact O-N 3.12Å; V250-T252 PolarHBondContact O-N 3.05Å; V250-T254 HydrophobicContact CG1-CG2 4Å; V250-L255 HydrophobicContact CB-CD1 4.26Å; V250-L255 HydrophobicContact CB-CD2 3.76Å; V250-L255 HydrophobicContact CB-CG 3.78Å; V250-L255 HydrophobicContact CG1-CD2 3.77Å; V250-L255 HydrophobicContact CG1-CG 3.74Å; V250-L255 HydrophobicContact CG2-CD2 4.33Å; V250-Q282 PolarHBondContact O-NE2 2.78Å
251	P	92.4	Very high	91.9	Very high	14 Å²	14	42.4 Å²	42.4	9%	0.091	23%	0.228	C	C	.	.			trans	-52.3	135.6	178.4	-20.9	26	0	0	0	112.8	H253 T254 L255 Y613	P251-H253 VanDerWaalsContact C-N 3.25Å; P251-H253 WeakPolarHBondContact CB-CE1 3.27Å; P251-H253 WeakPolarHBondContact CB-ND1 3.49Å; P251-H253 PolarHBondContact O-N 3.25Å; P251-T254 WeakPolarHBondContact O-CA 3.44Å; P251-T254 WeakPolarHBondContact O-CB 3.41Å; P251-T254 PolarHBondContact O-N 3.45Å; P251-L255 PolarHBondContact O-N 3.31Å; P251-Y613 HydrophobicContact CB-CD2 4.03Å; P251-Y613 HydrophobicContact CB-CE2 4.08Å; P251-Y613 HydrophobicContact CG-CD1 4.42Å; P251-Y613 HydrophobicContact CG-CD2 3.57Å; P251-Y613 HydrophobicContact CG-CE2 3.92Å; P251-Y613 HydrophobicContact CG-CG 3.83Å
252	T	91.8	Very high	91.6	Very high	51 Å²	51	45.7 Å²	45.7	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-54.9	-40.6	-176.1	-42.3	0	0	0	0	112.7	V250 L255 Q256 V279 Q282	V250-T252 PolarHBondContact O-N 3.05Å; T252-L255 PolarHBondContact O-N 3.15Å; T252-Q256 WeakPolarHBondContact O-CG 3.32Å; T252-Q256 PolarHBondContact O-N 2.98Å; T252-V279 HydrophobicContact CG2-CG1 3.86Å; T252-V279 HydrophobicContact CG2-CG2 4.14Å; T252-Q282 PolarHBondContact OG1-OE1 3.49Å
253	H	91.4	Very high	91.2	Very high	134 Å²	134	51.7 Å²	51.7	62%	0.62	28%	0.276	S	S	*	.	H	α-helix	trans	-65.4	-38.5	178.7	71.4	-86	0	0	0	111.9	P251 A257	P251-H253 VanDerWaalsContact C-N 3.25Å; P251-H253 WeakPolarHBondContact CB-CE1 3.27Å; P251-H253 WeakPolarHBondContact CB-ND1 3.49Å; P251-H253 PolarHBondContact O-N 3.25Å; H253-A257 VanDerWaalsContact O-CB 3.31Å; H253-A257 WeakPolarHBondContact O-CB 3.38Å; H253-A257 PolarHBondContact O-N 2.87Å
254	T	92.5	Very high	90.7	Very high	11 Å²	11	49.5 Å²	49.5	7%	0.067	25%	0.254	C	S	.	.	H	α-helix	trans	-65.7	-46.6	175.1	-56.1	0	0	0	0	110.7	E217 V250 P251 Q256 A257 L258	E217-T254 HydrophobicContact CG-CG2 3.71Å; E217-T254 VanDerWaalsContact OE2-CG2 3.25Å; E217-T254 WeakPolarHBondContact OE2-CG2 3.44Å; E217-T254 PolarHBondContact OE2-OG1 2.73Å; V250-T254 HydrophobicContact CG1-CG2 4Å; P251-T254 WeakPolarHBondContact O-CA 3.44Å; P251-T254 WeakPolarHBondContact O-CB 3.41Å; P251-T254 PolarHBondContact O-N 3.45Å; T254-Q256 VanDerWaalsContact C-N 3.33Å; T254-Q256 PolarHBondContact O-N 3.15Å; T254-A257 WeakPolarHBondContact O-CB 3.47Å; T254-A257 PolarHBondContact O-N 3.01Å; T254-L258 HydrophobicContact CG2-CD1 3.91Å; T254-L258 HydrophobicContact CG2-CG 4.24Å; T254-L258 WeakPolarHBondContact O-CB 3.44Å; T254-L258 WeakPolarHBondContact O-CG 3.3Å; T254-L258 PolarHBondContact O-N 2.83Å
255	L	92.1	Very high	90.2	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-45.9	177.4	-75.8	177.5	0	0	0	111.9	L247 V250 P251 T252 A257 L258 A259 V275 A278 V279	L247-L255 WeakPolarHBondContact O-CD1 3.49Å; V250-L255 HydrophobicContact CB-CD1 4.26Å; V250-L255 HydrophobicContact CB-CD2 3.76Å; V250-L255 HydrophobicContact CB-CG 3.78Å; V250-L255 HydrophobicContact CG1-CD2 3.77Å; V250-L255 HydrophobicContact CG1-CG 3.74Å; V250-L255 HydrophobicContact CG2-CD2 4.33Å; P251-L255 PolarHBondContact O-N 3.31Å; T252-L255 PolarHBondContact O-N 3.15Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 3.26Å; L255-L258 PolarHBondContact O-N 2.89Å; L255-A259 WeakPolarHBondContact O-CB 3.42Å; L255-A259 PolarHBondContact O-N 3.32Å; L255-V275 HydrophobicContact CB-CG1 4.21Å; L255-A278 HydrophobicContact CD1-CB 4.17Å; L255-V279 HydrophobicContact CB-CG2 4.45Å; L255-V279 HydrophobicContact CD1-CG2 4.11Å
256	Q	90.8	Very high	89.7	Confident	88 Å²	88	49.1 Å²	49.1	41%	0.411	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-36	177.3	-71.2	178.1	-2.9	0	0	112.3	T252 T254 R260	T252-Q256 WeakPolarHBondContact O-CG 3.32Å; T252-Q256 PolarHBondContact O-N 2.98Å; T254-Q256 VanDerWaalsContact C-N 3.33Å; T254-Q256 PolarHBondContact O-N 3.15Å; Q256-R260 VanDerWaalsContact O-CG 3.29Å; Q256-R260 WeakPolarHBondContact O-CG 3.33Å; Q256-R260 PolarHBondContact O-N 2.99Å
257	A	91.4	Very high	89.2	Confident	47 Å²	47	50.7 Å²	50.7	39%	0.388	28%	0.282	S	S	.	.	H	α-helix	trans	-65.5	-51.2	174.2	0	0	0	0	0	110.9	H253 T254 L255 A259 R260 T261	H253-A257 VanDerWaalsContact O-CB 3.31Å; H253-A257 WeakPolarHBondContact O-CB 3.38Å; H253-A257 PolarHBondContact O-N 2.87Å; T254-A257 WeakPolarHBondContact O-CB 3.47Å; T254-A257 PolarHBondContact O-N 3.01Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 3.26Å; A257-A259 VanDerWaalsContact C-N 3.32Å; A257-A259 PolarHBondContact O-N 2.85Å; A257-R260 PolarHBondContact O-N 3.27Å; A257-T261 WeakPolarHBondContact O-CG2 3.39Å; A257-T261 PolarHBondContact O-N 3.46Å; A257-T261 PolarHBondContact O-OG1 3.05Å; A257-T261 VanDerWaalsContact O-OG1 3.09Å
258	L	89.2	Confident	88.9	Confident	11 Å²	11	52.2 Å²	52.2	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-57.7	-43.6	178.2	-72	172.9	0	0	0	111.7	V220 T254 L255 R260 T261 E262 L265	V220-L258 HydrophobicContact CG1-CD1 4.06Å; T254-L258 HydrophobicContact CG2-CD1 3.91Å; T254-L258 HydrophobicContact CG2-CG 4.24Å; T254-L258 WeakPolarHBondContact O-CB 3.44Å; T254-L258 WeakPolarHBondContact O-CG 3.3Å; T254-L258 PolarHBondContact O-N 2.83Å; L255-L258 PolarHBondContact O-N 2.89Å; L258-R260 PolarHBondContact O-N 3.47Å; L258-T261 PolarHBondContact O-N 2.93Å; L258-E262 HydrophobicContact CD2-CG 4.24Å; L258-E262 WeakPolarHBondContact O-CB 3.42Å; L258-E262 PolarHBondContact O-N 2.82Å; L258-L265 HydrophobicContact CB-CD1 3.95Å
259	A	88.1	Confident	88.8	Confident	31 Å²	31	58.4 Å²	58.4	26%	0.256	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-24.9	176.7	0	0	0	0	0	113.6	L255 A257 V275	L255-A259 WeakPolarHBondContact O-CB 3.42Å; L255-A259 PolarHBondContact O-N 3.32Å; A257-A259 VanDerWaalsContact C-N 3.32Å; A257-A259 PolarHBondContact O-N 2.85Å; A259-V275 HydrophobicContact CB-CG1 4.22Å
260	R	86.7	Confident	88.7	Confident	199 Å²	199	63.2 Å²	63.2	75%	0.751	34%	0.344	S	S	*	.	H	α-helix	trans	-91	-37.6	177.3	-69.8	173	-174	175.9	5	112.8	Q256 A257 L258	Q256-R260 VanDerWaalsContact O-CG 3.29Å; Q256-R260 WeakPolarHBondContact O-CG 3.33Å; Q256-R260 PolarHBondContact O-N 2.99Å; A257-R260 PolarHBondContact O-N 3.27Å; L258-R260 PolarHBondContact O-N 3.47Å
261	T	86.8	Confident	88.6	Confident	94 Å²	94	63.2 Å²	63.2	58%	0.577	34%	0.344	S	S	*	.	H	α-helix	trans	-84.7	-36.2	-173.6	55.5	0	0	0	0	112.7	A257 L258	A257-T261 WeakPolarHBondContact O-CG2 3.39Å; A257-T261 PolarHBondContact O-N 3.46Å; A257-T261 PolarHBondContact O-OG1 3.05Å; A257-T261 VanDerWaalsContact O-OG1 3.09Å; L258-T261 PolarHBondContact O-N 2.93Å
262	E	87.8	Confident	88.5	Confident	69 Å²	69	65.4 Å²	65.4	32%	0.322	36%	0.358	S	S	.	.			trans	-91.1	110.8	-173.4	-64.4	-64	156.2	0	0	111.3	L224 L258 L264 L265 S266	L224-E262 HydrophobicContact CD1-CG 4Å; L258-E262 HydrophobicContact CD2-CG 4.24Å; L258-E262 WeakPolarHBondContact O-CB 3.42Å; L258-E262 PolarHBondContact O-N 2.82Å; E262-L264 PolarHBondContact O-N 3.04Å; E262-L264 VanDerWaalsContact O-N 3.15Å; E262-L265 HydrophobicContact CB-CB 4.25Å; E262-L265 HydrophobicContact CB-CD1 4.01Å; E262-L265 HydrophobicContact CB-CG 4Å; E262-L265 HydrophobicContact CG-CD1 4.41Å; E262-L265 PolarHBondContact O-N 2.85Å; E262-S266 PolarHBondContact O-N 2.85Å; E262-S266 VanDerWaalsContact O-N 3.12Å; E262-S266 PolarHBondContact O-OG 2.89Å
263	N	85.4	Confident	88.6	Confident	130 Å²	130	65 Å²	65	70%	0.695	36%	0.357	S	S	*	.	H	α-helix	trans	-59.3	-25.7	176.4	-69.7	-28	0	0	0	112.8	L265 S266 G267	N263-L265 VanDerWaalsContact C-N 3.35Å; N263-S266 WeakPolarHBondContact CA-OG 3.33Å; N263-S266 PolarHBondContact O-OG 3.48Å; N263-G267 PolarHBondContact O-N 3.24Å
264	L	84.4	Confident	88.7	Confident	23 Å²	23	60.9 Å²	60.9	12%	0.12	34%	0.339	C	S	.	.	H	α-helix	trans	-69	-34.1	177.2	-58	-179.3	0	0	0	112.5	L224 T227 L231 L238 E262	L224-L264 HydrophobicContact CD2-CB 4.36Å; L224-L264 HydrophobicContact CD2-CD1 4.29Å; T227-L264 HydrophobicContact CG2-CD1 4.39Å; L231-L264 HydrophobicContact CD1-CD2 3.25Å; L238-L264 HydrophobicContact CD2-CB 3.81Å; E262-L264 PolarHBondContact O-N 3.04Å; E262-L264 VanDerWaalsContact O-N 3.15Å
265	L	84.4	Confident	88.8	Confident	5 Å²	5	61 Å²	61	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-83.1	-39.4	179.2	-64.4	179.7	0	0	0	111.2	L224 L238 L242 L258 E262 N263 C271 V272	L224-L265 HydrophobicContact CD1-CD1 4.39Å; L224-L265 HydrophobicContact CD2-CD2 4.14Å; L224-L265 HydrophobicContact CD2-CG 4.16Å; L238-L265 HydrophobicContact CD2-CD2 4.3Å; L242-L265 HydrophobicContact CD1-CD2 3.56Å; L242-L265 HydrophobicContact CD2-CD2 4.48Å; L258-L265 HydrophobicContact CB-CD1 3.95Å; E262-L265 HydrophobicContact CB-CB 4.25Å; E262-L265 HydrophobicContact CB-CD1 4.01Å; E262-L265 HydrophobicContact CB-CG 4Å; E262-L265 HydrophobicContact CG-CD1 4.41Å; E262-L265 PolarHBondContact O-N 2.85Å; N263-L265 VanDerWaalsContact C-N 3.35Å; L265-C271 HydrophobicContact CD2-CB 4.19Å; L265-V272 VanDerWaalsContact O-CG2 3.32Å; L265-V272 WeakPolarHBondContact O-CG2 3.38Å
266	S	83.9	Confident	88.7	Confident	62 Å²	62	64.4 Å²	64.4	43%	0.434	36%	0.364	S	S	.	.	H	α-helix	trans	-77.1	-24.1	180	60.9	0	0	0	0	113.8	E262 N263	E262-S266 PolarHBondContact O-N 2.85Å; E262-S266 VanDerWaalsContact O-N 3.12Å; E262-S266 PolarHBondContact O-OG 2.89Å; N263-S266 WeakPolarHBondContact CA-OG 3.33Å; N263-S266 PolarHBondContact O-OG 3.48Å
267	G	82.3	Confident	88.9	Confident	60 Å²	60	64.4 Å²	64.4	62%	0.619	37%	0.367	S	S	*	.	S	Bend	trans	-79.6	-17.8	-178.5	0	0	0	0	0	115.4	N263	N263-G267 PolarHBondContact O-N 3.24Å
268	D	87.9	Confident	88.9	Confident	41 Å²	41	62.4 Å²	62.4	22%	0.219	35%	0.35	C	S	.	.			trans	-115.6	123	-178.8	-169	-23.2	0	0	0	111.2	P239 L270 C271 V272	P239-D268 VanDerWaalsContact CG-OD2 3.24Å; P239-D268 WeakPolarHBondContact CG-OD2 3.36Å; D268-L270 PolarHBondContact O-N 2.99Å; D268-L270 PolarHBondContact OD1-N 3.03Å; D268-C271 HydrophobicContact CB-CB 4.19Å; D268-C271 PolarHBondContact O-N 3.41Å; D268-V272 WeakPolarHBondContact O-CG2 3.43Å; D268-V272 PolarHBondContact O-N 3.38Å; D268-V272 VanDerWaalsContact O-N 3.14Å
269	Q	88.9	Confident	89.1	Confident	148 Å²	148	63.3 Å²	63.3	69%	0.692	36%	0.356	S	S	*	.	H	α-helix	trans	-60.1	-33.1	-179.7	-172	61.6	42.9	0	0	112.6	V272 S273	Q269-V272 PolarHBondContact O-N 3.32Å; Q269-S273 PolarHBondContact O-N 2.67Å; Q269-S273 PolarHBondContact O-OG 3.22Å
270	L	91.4	Very high	89.3	Confident	105 Å²	105	64.4 Å²	64.4	55%	0.55	36%	0.362	S	S	.	.	H	α-helix	trans	-69.6	-40	178.9	-65.5	175.9	0	0	0	111.4	P239 D268 S273 L274	P239-L270 HydrophobicContact CB-CB 4.04Å; P239-L270 HydrophobicContact CB-CD1 4.34Å; P239-L270 HydrophobicContact CG-CB 4.21Å; P239-L270 HydrophobicContact CG-CD1 4.43Å; D268-L270 PolarHBondContact O-N 2.99Å; D268-L270 PolarHBondContact OD1-N 3.03Å; L270-S273 WeakPolarHBondContact CA-OG 3.35Å; L270-S273 PolarHBondContact O-N 3.09Å; L270-S273 PolarHBondContact O-OG 2.98Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.49Å; L270-L274 PolarHBondContact O-N 2.72Å
271	C	90.9	Very high	89.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-44.1	175.1	-66.5	0	0	0	0	110.9	L242 L265 D268 S273 L274 V275	L242-C271 HydrophobicContact CD1-CB 4.07Å; L265-C271 HydrophobicContact CD2-CB 4.19Å; D268-C271 HydrophobicContact CB-CB 4.19Å; D268-C271 PolarHBondContact O-N 3.41Å; C271-S273 PolarHBondContact O-N 2.85Å; C271-L274 PolarHBondContact O-N 3.19Å; C271-V275 WeakPolarHBondContact O-CG2 3.37Å; C271-V275 PolarHBondContact O-N 3.11Å
272	V	91.3	Very high	89.6	Confident	61 Å²	61	57.9 Å²	57.9	37%	0.37	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-42.7	177.6	177	0	0	0	0	111.6	L265 D268 Q269 V275 S276	L265-V272 VanDerWaalsContact O-CG2 3.32Å; L265-V272 WeakPolarHBondContact O-CG2 3.38Å; D268-V272 WeakPolarHBondContact O-CG2 3.43Å; D268-V272 PolarHBondContact O-N 3.38Å; D268-V272 VanDerWaalsContact O-N 3.14Å; Q269-V272 PolarHBondContact O-N 3.32Å; V272-V275 PolarHBondContact O-N 3.17Å; V272-S276 WeakPolarHBondContact O-CB 3.48Å; V272-S276 PolarHBondContact O-N 2.89Å
273	S	93.4	Very high	89.6	Confident	43 Å²	43	59.7 Å²	59.7	30%	0.301	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-43.4	176.5	56	0	0	0	0	112	Q269 L270 C271 V275 S276 D277	Q269-S273 PolarHBondContact O-N 2.67Å; Q269-S273 PolarHBondContact O-OG 3.22Å; L270-S273 WeakPolarHBondContact CA-OG 3.35Å; L270-S273 PolarHBondContact O-N 3.09Å; L270-S273 PolarHBondContact O-OG 2.98Å; C271-S273 PolarHBondContact O-N 2.85Å; S273-V275 VanDerWaalsContact C-N 3.35Å; S273-V275 PolarHBondContact O-N 3.2Å; S273-S276 PolarHBondContact O-N 3.15Å; S273-D277 WeakPolarHBondContact O-CB 3.41Å; S273-D277 PolarHBondContact O-N 3.38Å
274	L	93.6	Very high	89.8	Confident	47 Å²	47	60.4 Å²	60.4	25%	0.246	34%	0.342	C	S	.	.	H	α-helix	trans	-60.8	-42.1	178.2	-72.4	171.1	0	0	0	112.3	L242 L247 L270 C271 A278	L242-L274 HydrophobicContact CB-CD1 3.98Å; L247-L274 HydrophobicContact CD1-CB 4.08Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.49Å; L270-L274 PolarHBondContact O-N 2.72Å; C271-L274 PolarHBondContact O-N 3.19Å; L274-A278 WeakPolarHBondContact O-CB 3.4Å; L274-A278 PolarHBondContact O-N 2.62Å
275	V	93.1	Very high	89.8	Confident	14 Å²	14	61.2 Å²	61.2	9%	0.085	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-43.5	176.7	175.4	0	0	0	0	111.2	L255 A259 C271 V272 S273 D277 A278 V279	L255-V275 HydrophobicContact CB-CG1 4.21Å; A259-V275 HydrophobicContact CB-CG1 4.22Å; C271-V275 WeakPolarHBondContact O-CG2 3.37Å; C271-V275 PolarHBondContact O-N 3.11Å; V272-V275 PolarHBondContact O-N 3.17Å; S273-V275 VanDerWaalsContact C-N 3.35Å; S273-V275 PolarHBondContact O-N 3.2Å; V275-D277 VanDerWaalsContact C-N 3.34Å; V275-D277 PolarHBondContact O-N 3.47Å; V275-A278 PolarHBondContact O-N 3Å; V275-V279 WeakPolarHBondContact O-CG2 2.97Å; V275-V279 PolarHBondContact O-N 3.28Å; V275-V279 VanDerWaalsContact O-N 3.07Å
276	S	91.8	Very high	89.9	Confident	74 Å²	74	64.1 Å²	64.1	52%	0.517	37%	0.367	S	S	.	.	H	α-helix	trans	-61.5	-43.4	177	-176.8	0	0	0	0	111.8	V272 S273 A278 V279 S280	V272-S276 WeakPolarHBondContact O-CB 3.48Å; V272-S276 PolarHBondContact O-N 2.89Å; S273-S276 PolarHBondContact O-N 3.15Å; S276-A278 VanDerWaalsContact C-N 3.35Å; S276-V279 PolarHBondContact O-N 2.82Å; S276-S280 PolarHBondContact O-N 3.24Å
277	D	93.4	Very high	89.9	Confident	89 Å²	89	61.2 Å²	61.2	48%	0.476	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-40.9	177.4	-71.3	-11.3	0	0	0	111.2	S273 V275 V279 S280 R281	S273-D277 WeakPolarHBondContact O-CB 3.41Å; S273-D277 PolarHBondContact O-N 3.38Å; V275-D277 VanDerWaalsContact C-N 3.34Å; V275-D277 PolarHBondContact O-N 3.47Å; D277-V279 PolarHBondContact O-N 3.15Å; D277-S280 PolarHBondContact O-N 3.49Å; D277-R281 WeakPolarHBondContact O-CB 3.46Å; D277-R281 WeakPolarHBondContact O-CG 3.2Å; D277-R281 PolarHBondContact O-N 2.6Å
278	A	92.7	Very high	90.2	Very high	5 Å²	5	59 Å²	59	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-43.7	176	0	0	0	0	0	112.4	L247 L255 L274 V275 S276 R281 Q282	L247-A278 HydrophobicContact CB-CB 3.56Å; L255-A278 HydrophobicContact CD1-CB 4.17Å; L274-A278 WeakPolarHBondContact O-CB 3.4Å; L274-A278 PolarHBondContact O-N 2.62Å; V275-A278 PolarHBondContact O-N 3Å; S276-A278 VanDerWaalsContact C-N 3.35Å; A278-R281 PolarHBondContact O-N 2.82Å; A278-Q282 WeakPolarHBondContact O-CG 3.3Å; A278-Q282 PolarHBondContact O-N 3.27Å
279	V	92.3	Very high	90.1	Very high	30 Å²	30	57.3 Å²	57.3	18%	0.182	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-41	176.1	172.6	0	0	0	0	111.3	T252 L255 V275 S276 D277 Q282 T283	T252-V279 HydrophobicContact CG2-CG1 3.86Å; T252-V279 HydrophobicContact CG2-CG2 4.14Å; L255-V279 HydrophobicContact CB-CG2 4.45Å; L255-V279 HydrophobicContact CD1-CG2 4.11Å; V275-V279 WeakPolarHBondContact O-CG2 2.97Å; V275-V279 PolarHBondContact O-N 3.28Å; V275-V279 VanDerWaalsContact O-N 3.07Å; S276-V279 PolarHBondContact O-N 2.82Å; D277-V279 PolarHBondContact O-N 3.15Å; V279-Q282 PolarHBondContact O-N 3.42Å; V279-T283 PolarHBondContact O-N 2.83Å; V279-T283 PolarHBondContact O-OG1 2.99Å
280	S	92.5	Very high	89.7	Confident	53 Å²	53	52.8 Å²	52.8	37%	0.371	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-45.9	174.7	-176.8	0	0	0	0	111.4	S276 D277 Q282 T283 Q284	S276-S280 PolarHBondContact O-N 3.24Å; D277-S280 PolarHBondContact O-N 3.49Å; S280-Q282 PolarHBondContact O-N 2.65Å; S280-T283 PolarHBondContact O-N 2.92Å; S280-Q284 WeakPolarHBondContact O-CG 3.3Å; S280-Q284 PolarHBondContact O-N 3.03Å
281	R	90.1	Very high	89.6	Confident	138 Å²	138	50.8 Å²	50.8	52%	0.521	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-44.6	178	-75.6	179.2	-176.9	-146.8	1.7	112.5	H248 D277 A278 T283 Q284 L285	H248-R281 HydrophobicContact CB-CB 4.29Å; D277-R281 WeakPolarHBondContact O-CB 3.46Å; D277-R281 WeakPolarHBondContact O-CG 3.2Å; D277-R281 PolarHBondContact O-N 2.6Å; A278-R281 PolarHBondContact O-N 2.82Å; R281-T283 VanDerWaalsContact C-N 3.26Å; R281-T283 PolarHBondContact O-N 2.84Å; R281-Q284 PolarHBondContact O-N 2.68Å; R281-L285 HydrophobicContact CB-CD1 4.45Å; R281-L285 WeakPolarHBondContact O-CB 3.14Å; R281-L285 WeakPolarHBondContact O-CG 3.34Å; R281-L285 PolarHBondContact O-N 3.49Å
282	Q	90.6	Very high	89.6	Confident	19 Å²	19	51.9 Å²	51.9	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-55.7	-44	175.8	-76.9	175.6	23.7	0	0	112	L247 H248 V250 T252 A278 V279 S280 S286	L247-Q282 PolarHBondContact O-NE2 3.49Å; H248-Q282 HydrophobicContact CB-CG 4.24Å; H248-Q282 VanDerWaalsContact O-CD 3.32Å; H248-Q282 WeakPolarHBondContact O-CG 3.35Å; H248-Q282 PolarHBondContact O-NE2 2.85Å; V250-Q282 PolarHBondContact O-NE2 2.78Å; T252-Q282 PolarHBondContact OG1-OE1 3.49Å; A278-Q282 WeakPolarHBondContact O-CG 3.3Å; A278-Q282 PolarHBondContact O-N 3.27Å; V279-Q282 PolarHBondContact O-N 3.42Å; S280-Q282 PolarHBondContact O-N 2.65Å; Q282-S286 PolarHBondContact O-N 2.96Å
283	T	87.6	Confident	89.6	Confident	106 Å²	106	49.1 Å²	49.1	65%	0.65	28%	0.277	S	S	*	.	H	α-helix	trans	-68.1	-41.9	-179.2	-51.4	0	0	0	0	111.6	V279 S280 R281	V279-T283 PolarHBondContact O-N 2.83Å; V279-T283 PolarHBondContact O-OG1 2.99Å; S280-T283 PolarHBondContact O-N 2.92Å; R281-T283 VanDerWaalsContact C-N 3.26Å; R281-T283 PolarHBondContact O-N 2.84Å
284	Q	88.3	Confident	89.4	Confident	146 Å²	146	51.5 Å²	51.5	68%	0.682	29%	0.291	S	S	*	.	H	α-helix	trans	-68.2	-42.6	179.6	-73.2	175.4	-11.1	0	0	112.6	S280 R281	S280-Q284 WeakPolarHBondContact O-CG 3.3Å; S280-Q284 PolarHBondContact O-N 3.03Å; R281-Q284 PolarHBondContact O-N 2.68Å
285	L	86.1	Confident	89.3	Confident	40 Å²	40	50.9 Å²	50.9	21%	0.209	29%	0.293	C	S	.	.	H	α-helix	trans	-82.7	-28.6	-173.5	-64.9	172.4	0	0	0	112.3	R281 G287 L288 L289 L441	R281-L285 HydrophobicContact CB-CD1 4.45Å; R281-L285 WeakPolarHBondContact O-CB 3.14Å; R281-L285 WeakPolarHBondContact O-CG 3.34Å; R281-L285 PolarHBondContact O-N 3.49Å; L285-G287 VanDerWaalsContact C-N 3.27Å; L285-G287 PolarHBondContact O-N 3.13Å; L285-G287 VanDerWaalsContact O-N 3.15Å; L285-L288 HydrophobicContact CB-CB 4.48Å; L285-L288 VanDerWaalsContact O-CB 3.28Å; L285-L288 WeakPolarHBondContact O-CB 3.49Å; L285-L288 WeakPolarHBondContact O-CG 3.49Å; L285-L288 PolarHBondContact O-N 3.01Å; L285-L289 HydrophobicContact CB-CD2 3.78Å; L285-L289 HydrophobicContact CB-CG 4.37Å; L285-L289 HydrophobicContact CD1-CD2 3.31Å; L285-L289 HydrophobicContact CG-CD2 4.15Å; L285-L441 HydrophobicContact CD2-CD1 4.42Å; L285-L441 HydrophobicContact CD2-CD2 3.39Å; L285-L441 HydrophobicContact CD2-CG 4.48Å
286	S	85.8	Confident	89.3	Confident	66 Å²	66	50.4 Å²	50.4	46%	0.462	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	48.5	172.9	-178.2	0	0	0	0	112.8	Q282 K353	Q282-S286 PolarHBondContact O-N 2.96Å; S286-K353 WeakPolarHBondContact O-CE 3.04Å; S286-K353 PolarHBondContact O-NZ 2.88Å
287	G	83.5	Confident	89.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	-2.6	-178.2	0	0	0	0	0	116.5	L285 L289 A351 E352	L285-G287 VanDerWaalsContact C-N 3.27Å; L285-G287 PolarHBondContact O-N 3.13Å; L285-G287 VanDerWaalsContact O-N 3.15Å; G287-L289 PolarHBondContact O-N 3.26Å; G287-L289 VanDerWaalsContact O-N 3.13Å; G287-A351 WeakPolarHBondContact O-CB 3.46Å; G287-E352 PolarHBondContact O-N 2.97Å
288	L	88.3	Confident	89.2	Confident	13 Å²	13	44.5 Å²	44.5	7%	0.068	25%	0.253	C	S	.	.			trans	-85.4	59.6	169.5	-60.2	176.4	0	0	0	110.8	L285 P290 Y350 K353 F355 P440 L441	L285-L288 HydrophobicContact CB-CB 4.48Å; L285-L288 VanDerWaalsContact O-CB 3.28Å; L285-L288 WeakPolarHBondContact O-CB 3.49Å; L285-L288 WeakPolarHBondContact O-CG 3.49Å; L285-L288 PolarHBondContact O-N 3.01Å; L288-P290 WeakPolarHBondContact O-CD 3.26Å; L288-Y350 HydrophobicContact CB-CE1 4.25Å; L288-Y350 HydrophobicContact CD2-CD1 3.67Å; L288-Y350 HydrophobicContact CD2-CE1 3.89Å; L288-K353 HydrophobicContact CD2-CB 4.39Å; L288-K353 HydrophobicContact CD2-CD 3.62Å; L288-K353 HydrophobicContact CD2-CG 4.01Å; L288-K353 HydrophobicContact CG-CD 4.16Å; L288-F355 HydrophobicContact CD2-CZ 4.46Å; L288-P440 HydrophobicContact CD1-CB 3.94Å; L288-P440 WeakPolarHBondContact CD1-O 3.34Å; L288-P440 HydrophobicContact CD2-CB 4.28Å; L288-L441 HydrophobicContact CB-CD2 3.71Å; L288-L441 HydrophobicContact CD1-CD2 4.06Å
289	L	85.9	Confident	89.2	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.031	26%	0.259	C	S	.	.			trans	-110	89	-179.5	-58.2	166.1	0	0	0	108.4	H248 L285 G287 D291	H248-L289 HydrophobicContact CB-CD2 4.42Å; L285-L289 HydrophobicContact CB-CD2 3.78Å; L285-L289 HydrophobicContact CB-CG 4.37Å; L285-L289 HydrophobicContact CD1-CD2 3.31Å; L285-L289 HydrophobicContact CG-CD2 4.15Å; G287-L289 PolarHBondContact O-N 3.26Å; G287-L289 VanDerWaalsContact O-N 3.13Å; L289-D291 VanDerWaalsContact C-N 3.34Å
290	P	81.8	Confident	89.3	Confident	53 Å²	53	44 Å²	44	34%	0.344	25%	0.251	S	S	.	.			trans	-74.9	-24.7	-172.7	31.3	-36.8	0	0	0	112.9	L288 A292 Y350 D413	L288-P290 WeakPolarHBondContact O-CD 3.26Å; P290-A292 PolarHBondContact O-N 3.42Å; P290-A292 VanDerWaalsContact O-N 3.11Å; P290-Y350 HydrophobicContact CB-CE2 3.88Å; P290-Y350 WeakPolarHBondContact CG-OH 3.46Å; P290-D413 WeakPolarHBondContact CB-OD1 3.44Å
291	D	89.6	Confident	89.5	Confident	63 Å²	63	41.5 Å²	41.5	34%	0.337	23%	0.233	S	C	.	.			trans	-87.2	41.6	-176	68.1	-40.9	0	0	0	112.1	R246 H248 H249 L289	R246-D291 WeakPolarHBondContact CD-O 3.36Å; R246-D291 VanDerWaalsContact CZ-O 3.26Å; R246-D291 PolarHBondContact NE-O 3.14Å; R246-D291 VanDerWaalsContact NH1-C 3.35Å; R246-D291 PolarHBondContact NH1-O 2.83Å; H248-D291 IonicContact CD2-OD1 3.18Å; H248-D291 IonicContact CE1-OD1 2.76Å; H248-D291 IonicContact CE1-OD2 3.98Å; H248-D291 PolarHBondContact CE1-OD2 3.4Å; H248-D291 IonicContact NE2-OD1 2.65Å; H248-D291 PolarHBondContact NE2-OD1 2.96Å; H248-D291 IonicContact NE2-OD2 2.76Å; H248-D291 PolarHBondContact NE2-OD2 3Å; H249-D291 PolarHBondContact NE2-O 2.99Å; H249-D291 IonicContact NE2-OD1 3.8Å; H249-D291 PolarHBondContact NE2-OD1 2.89Å; L289-D291 VanDerWaalsContact C-N 3.34Å
292	A	90.1	Very high	89.7	Confident	24 Å²	24	35.1 Å²	35.1	20%	0.198	21%	0.209	C	C	.	.			trans	-73.7	146.6	170.3	0	0	0	0	0	110.5	R246 H249 P290 T297	R246-A292 PolarHBondContact NH1-O 3.19Å; H249-A292 WeakPolarHBondContact CE1-CA 3.18Å; H249-A292 VanDerWaalsContact CE1-CB 3.48Å; H249-A292 WeakPolarHBondContact CE1-CB 3.37Å; H249-A292 PolarHBondContact CE1-N 3.49Å; P290-A292 PolarHBondContact O-N 3.42Å; P290-A292 VanDerWaalsContact O-N 3.11Å; A292-T297 HydrophobicContact CB-CG2 3.39Å
293	R	91.8	Very high	89.8	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.008	21%	0.205	C	C	.	.			trans	-78.3	137.1	173.8	-69.2	-166.6	-147	-108.3	-4.8	108.9	L206 S208 E216 A295 T296 T297	L206-R293 VanDerWaalsContact O-CZ 3.32Å; L206-R293 PolarHBondContact O-NH1 3.42Å; L206-R293 PolarHBondContact O-NH2 2.93Å; S208-R293 VanDerWaalsContact C-NH1 3.32Å; S208-R293 PolarHBondContact O-NH1 2.83Å; E216-R293 IonicContact OE1-CZ 3.79Å; E216-R293 IonicContact OE1-NE 3.39Å; E216-R293 PolarHBondContact OE1-NE 3.37Å; E216-R293 IonicContact OE1-NH2 3.2Å; E216-R293 PolarHBondContact OE1-NH2 2.74Å; R293-A295 PolarHBondContact O-N 3.39Å; R293-A295 VanDerWaalsContact O-N 3.14Å; R293-T296 HydrophobicContact CB-CG2 4.1Å; R293-T296 PolarHBondContact N-OG1 2.73Å; R293-T296 PolarHBondContact O-N 2.95Å; R293-T296 PolarHBondContact O-OG1 2.72Å; R293-T297 PolarHBondContact O-N 2.74Å
294	P	89.9	Confident	90	Very high	93 Å²	93	29.5 Å²	29.5	60%	0.604	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-50.7	-40.8	177.2	-29.1	36.1	0	0	0	113.4	D209 T296 T297	D209-P294 WeakPolarHBondContact O-CD 3.42Å; P294-T296 PolarHBondContact O-N 3.11Å; P294-T297 PolarHBondContact O-N 3.47Å; P294-T297 PolarHBondContact O-OG1 2.99Å
295	A	91.1	Very high	89.9	Confident	34 Å²	34	23.5 Å²	23.5	28%	0.281	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-65	-21.3	178.8	0	0	0	0	0	114.7	L211 R293	L211-A295 WeakPolarHBondContact O-CB 3.45Å; R293-A295 PolarHBondContact O-N 3.39Å; R293-A295 VanDerWaalsContact O-N 3.14Å
296	T	92.1	Very high	89.8	Confident	5 Å²	5	22.6 Å²	22.6	3%	0.031	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-98	-4.6	-178.8	64.4	0	0	0	0	113.3	V213 E216 R293 P294 R612	V213-T296 HydrophobicContact CG2-CG2 3.94Å; E216-T296 HydrophobicContact CG-CG2 4.46Å; R293-T296 HydrophobicContact CB-CG2 4.1Å; R293-T296 PolarHBondContact N-OG1 2.73Å; R293-T296 PolarHBondContact O-N 2.95Å; R293-T296 PolarHBondContact O-OG1 2.72Å; P294-T296 PolarHBondContact O-N 3.11Å; T296-R612 WeakPolarHBondContact O-CG 3.34Å; T296-R612 PolarHBondContact O-N 3.38Å
297	T	92	Very high	89.5	Confident	19 Å²	19	21.8 Å²	21.8	12%	0.117	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	152.7	-177.9	54.6	0	0	0	0	112.1	A292 R293 P294 F610	A292-T297 HydrophobicContact CB-CG2 3.39Å; R293-T297 PolarHBondContact O-N 2.74Å; P294-T297 PolarHBondContact O-N 3.47Å; P294-T297 PolarHBondContact O-OG1 2.99Å; T297-F610 CarbonylContact C-O 3.57Å; T297-F610 WeakPolarHBondContact CA-O 3.44Å; T297-F610 WeakPolarHBondContact CB-O 3.15Å
298	E	91.9	Very high	88.9	Confident	19 Å²	19	27.6 Å²	27.6	9%	0.089	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.3	167.2	-163.6	57.8	-114.9	0	0	108.1	Y300 D321 S609 F610 R612	E298-Y300 HydrophobicContact CB-CE2 3.95Å; E298-Y300 HydrophobicContact CG-CE2 3.64Å; E298-Y300 WeakPolarHBondContact CG-OH 3.42Å; E298-D321 VanDerWaalsContact OE1-CB 3.29Å; E298-D321 WeakPolarHBondContact OE1-CB 3.4Å; E298-S609 CarbonylContact O-C 3.58Å; E298-S609 VanDerWaalsContact O-CA 3.3Å; E298-S609 WeakPolarHBondContact O-CA 3.28Å; E298-F610 PolarHBondContact N-O 3.49Å; E298-F610 PolarHBondContact O-N 3.03Å; E298-R612 HydrophobicContact CB-CG 4.18Å; E298-R612 IonicContact OE2-CZ 3.95Å; E298-R612 IonicContact OE2-NE 3.15Å; E298-R612 PolarHBondContact OE2-NE 2.68Å; E298-R612 IonicContact OE2-NH2 2.59Å; E298-R612 PolarHBondContact OE2-NH2 3.39Å
299	S	92.8	Very high	87.9	Confident	23 Å²	23	31 Å²	31	16%	0.161	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.3	-172.2	-62.6	0	0	0	0	111.5	L320 I608 S609	S299-L320 WeakPolarHBondContact O-CG 3.31Å; S299-L320 PolarHBondContact O-N 3.43Å; S299-I608 WeakPolarHBondContact CA-O 3.46Å; S299-S609 WeakPolarHBondContact OG-CB 3.46Å; S299-S609 PolarHBondContact OG-OG 3.01Å
300	Y	94.4	Very high	87.1	Confident	3 Å²	3	32.6 Å²	32.6	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.6	-172.8	-64.1	-86.5	0	0	0	110.9	E298 C317 Y318 C319 V607 I608 F610 D615 W617	E298-Y300 HydrophobicContact CB-CE2 3.95Å; E298-Y300 HydrophobicContact CG-CE2 3.64Å; E298-Y300 WeakPolarHBondContact CG-OH 3.42Å; Y300-C317 HydrophobicContact CD1-CB 4.19Å; Y300-Y318 VanDerWaalsContact CA-O 3.27Å; Y300-Y318 WeakPolarHBondContact CA-O 3.45Å; Y300-C319 HydrophobicContact CD1-CB 4.02Å; Y300-C319 HydrophobicContact CE1-CB 3.69Å; Y300-V607 CarbonylContact O-C 3.57Å; Y300-V607 WeakPolarHBondContact O-CA 3.43Å; Y300-I608 PolarHBondContact N-O 3.44Å; Y300-I608 PolarHBondContact O-N 3.37Å; Y300-F610 AromaticContact CD2-CD2 3.8Å; Y300-F610 HydrophobicContact CD2-CD2 3.8Å; Y300-F610 AromaticContact CD2-CE2 3.96Å; Y300-F610 HydrophobicContact CD2-CE2 3.96Å; Y300-F610 AromaticContact CE2-CD2 3.92Å; Y300-F610 HydrophobicContact CE2-CD2 3.92Å; Y300-F610 HydrophobicContact CE2-CE2 4.39Å; Y300-D615 PolarHBondContact OH-OD1 2.87Å; Y300-D615 PolarHBondContact OH-OD2 3.05Å; Y300-W617 AromaticContact CD1-CE3 3.95Å; Y300-W617 HydrophobicContact CD1-CE3 3.95Å; Y300-W617 AromaticContact CD2-CE3 3.64Å; Y300-W617 HydrophobicContact CD2-CE3 3.64Å; Y300-W617 HydrophobicContact CD2-CZ3 4.13Å; Y300-W617 HydrophobicContact CE1-CB 4.2Å; Y300-W617 HydrophobicContact CE1-CE3 4.44Å; Y300-W617 HydrophobicContact CE2-CB 4.39Å; Y300-W617 HydrophobicContact CE2-CE3 4.15Å; Y300-W617 AromaticContact CG-CE3 3.52Å; Y300-W617 HydrophobicContact CG-CE3 3.52Å; Y300-W617 AromaticContact CG-CZ3 3.9Å; Y300-W617 HydrophobicContact CG-CZ3 3.9Å
301	I	95.1	Very high	86.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	112.7	160.6	-56.4	177	0	0	0	106.7	I303 C317 Y318 L320 V558 Y565 L567	I301-I303 HydrophobicContact CG2-CG1 4.38Å; I301-C317 CarbonylContact O-C 3.57Å; I301-C317 WeakPolarHBondContact O-CA 3.31Å; I301-Y318 HydrophobicContact CD1-CD1 3.99Å; I301-Y318 HydrophobicContact CG1-CD1 4.33Å; I301-Y318 PolarHBondContact N-O 3Å; I301-Y318 PolarHBondContact O-N 3.21Å; I301-L320 HydrophobicContact CD1-CD2 4Å; I301-L320 HydrophobicContact CG1-CD2 3.99Å; I301-V558 HydrophobicContact CD1-CB 4.46Å; I301-V558 HydrophobicContact CD1-CG1 4.28Å; I301-V558 HydrophobicContact CG1-CG1 4.2Å; I301-V558 HydrophobicContact CG2-CG2 4.14Å; I301-Y565 HydrophobicContact CD1-CD1 3.7Å; I301-Y565 HydrophobicContact CD1-CD2 3.66Å; I301-Y565 HydrophobicContact CD1-CE1 4.1Å; I301-Y565 HydrophobicContact CD1-CE2 4.06Å; I301-Y565 HydrophobicContact CD1-CG 3.48Å; I301-Y565 VanDerWaalsContact CD1-CG 3.48Å; I301-L567 HydrophobicContact CG2-CD1 3.95Å
302	Y	94.9	Very high	86.1	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.1	175	175.8	-102.3	0	0	0	109.8	H304 L328 L347 L354 C605 Q606 W617	Y302-H304 HydrophobicContact CD1-CB 4.41Å; Y302-H304 HydrophobicContact CE1-CB 3.51Å; Y302-H304 PolarHBondContact OH-ND1 2.58Å; Y302-L328 HydrophobicContact CD2-CD1 3.83Å; Y302-L328 HydrophobicContact CE2-CD1 3.63Å; Y302-L347 HydrophobicContact CD1-CD2 3.93Å; Y302-L347 HydrophobicContact CE1-CD2 4.02Å; Y302-L354 HydrophobicContact CD1-CD1 3.53Å; Y302-L354 HydrophobicContact CD1-CD2 4.38Å; Y302-L354 HydrophobicContact CD2-CD1 4.25Å; Y302-L354 HydrophobicContact CE1-CD1 3.49Å; Y302-L354 VanDerWaalsContact CE1-CD1 3.49Å; Y302-L354 HydrophobicContact CE2-CD1 4.23Å; Y302-L354 HydrophobicContact CG-CD1 3.91Å; Y302-C605 VanDerWaalsContact O-CA 3.31Å; Y302-C605 WeakPolarHBondContact O-CA 3.39Å; Y302-Q606 PolarHBondContact N-O 2.95Å; Y302-Q606 PolarHBondContact O-N 3.33Å; Y302-W617 AromaticContact CD2-CH2 3.53Å; Y302-W617 HydrophobicContact CD2-CH2 3.53Å; Y302-W617 AromaticContact CD2-CZ2 3.98Å; Y302-W617 HydrophobicContact CD2-CZ2 3.98Å; Y302-W617 HydrophobicContact CD2-CZ3 4.41Å; Y302-W617 HydrophobicContact CE2-CH2 4.3Å; Y302-W617 HydrophobicContact CE2-CZ2 4.33Å; Y302-W617 HydrophobicContact CG-CH2 4.2Å
303	I	93.1	Very high	85.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.5	174.2	-69.9	171.8	0	0	0	109.6	I301 S315 F316 W325 L567 M596 L600 F603 H604 C605	I301-I303 HydrophobicContact CG2-CG1 4.38Å; I303-S315 WeakPolarHBondContact O-CA 3.43Å; I303-F316 HydrophobicContact CB-CD2 3.73Å; I303-F316 HydrophobicContact CB-CE2 3.58Å; I303-F316 HydrophobicContact CB-CG 4.38Å; I303-F316 HydrophobicContact CB-CZ 4.09Å; I303-F316 HydrophobicContact CD1-CD2 3.97Å; I303-F316 HydrophobicContact CD1-CE2 3.38Å; I303-F316 HydrophobicContact CD1-CZ 4.26Å; I303-F316 HydrophobicContact CG1-CD2 4.37Å; I303-F316 HydrophobicContact CG1-CE2 4.05Å; I303-F316 HydrophobicContact CG2-CD2 4.06Å; I303-F316 HydrophobicContact CG2-CE1 4.01Å; I303-F316 HydrophobicContact CG2-CE2 3.5Å; I303-F316 HydrophobicContact CG2-CZ 3.47Å; I303-F316 VanDerWaalsContact CG2-CZ 3.47Å; I303-F316 PolarHBondContact N-O 2.99Å; I303-F316 PolarHBondContact O-N 3.16Å; I303-F316 VanDerWaalsContact O-N 3.13Å; I303-W325 HydrophobicContact CD1-CH2 3.68Å; I303-W325 HydrophobicContact CD1-CZ3 3.74Å; I303-L567 HydrophobicContact CD1-CD1 4.21Å; I303-M596 HydrophobicContact CD1-SD 3.7Å; I303-L600 HydrophobicContact CG2-CD1 3.9Å; I303-F603 HydrophobicContact CB-CD2 4.4Å; I303-F603 HydrophobicContact CD1-CD2 4.46Å; I303-F603 HydrophobicContact CD1-CE2 3.84Å; I303-F603 HydrophobicContact CG1-CD2 4.17Å; I303-F603 HydrophobicContact CG1-CE2 3.94Å; I303-F603 HydrophobicContact CG2-CB 4.38Å; I303-F603 HydrophobicContact CG2-CD2 3.53Å; I303-F603 HydrophobicContact CG2-CE2 3.98Å; I303-F603 HydrophobicContact CG2-CG 4.12Å; I303-H604 VanDerWaalsContact CA-O 3.29Å; I303-H604 WeakPolarHBondContact CA-O 2.9Å; I303-C605 HydrophobicContact CG1-CB 4.21Å
304	H	90.8	Very high	85.6	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.028	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	132.6	175.7	-173.8	80.6	0	0	0	111.9	Y302 T306 H314 S315 D341 H604	Y302-H304 HydrophobicContact CD1-CB 4.41Å; Y302-H304 HydrophobicContact CE1-CB 3.51Å; Y302-H304 PolarHBondContact OH-ND1 2.58Å; H304-T306 PolarHBondContact NE2-OG1 2.81Å; H304-H314 WeakPolarHBondContact CA-O 3.41Å; H304-S315 PolarHBondContact ND1-OG 2.81Å; H304-D341 IonicContact CD2-OD2 3.68Å; H304-D341 IonicContact NE2-OD2 3.66Å; H304-H604 PolarHBondContact N-O 3.29Å; H304-H604 PolarHBondContact O-N 3.15Å
305	K	87	Confident	85.6	Confident	21 Å²	21	34.8 Å²	34.8	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	135.4	169.6	-171.2	-171.5	176.9	-152.4	0	109.9	E307 H313 H314 L600 T601 F603	K305-E307 WeakPolarHBondContact CE-OE1 3.18Å; K305-E307 IonicContact NZ-OE1 3.59Å; K305-E307 PolarHBondContact NZ-OE1 3.17Å; K305-E307 IonicContact NZ-OE2 2.96Å; K305-E307 PolarHBondContact NZ-OE2 3.42Å; K305-H313 WeakPolarHBondContact O-CA 3.24Å; K305-H314 PolarHBondContact N-O 2.98Å; K305-H314 PolarHBondContact O-N 2.89Å; K305-L600 HydrophobicContact CB-CD1 4.14Å; K305-L600 HydrophobicContact CD-CD2 3.87Å; K305-T601 VanDerWaalsContact CE-O 3.28Å; K305-T601 WeakPolarHBondContact CE-O 3.39Å; K305-F603 HydrophobicContact CB-CB 3.82Å; K305-F603 HydrophobicContact CD-CB 4.48Å; K305-F603 HydrophobicContact CG-CB 4.26Å
306	T	84.1	Confident	85.6	Confident	20 Å²	20	33.1 Å²	33.1	12%	0.123	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.9	162.7	-59.7	0	0	0	0	109.6	H304 H313 D341	H304-T306 PolarHBondContact NE2-OG1 2.81Å; T306-H313 VanDerWaalsContact CG2-CE1 3.42Å; T306-H313 WeakPolarHBondContact CG2-CE1 3.27Å; T306-H313 WeakPolarHBondContact CG2-ND1 3.35Å; T306-H313 PolarHBondContact OG1-CE1 3.37Å; T306-H313 PolarHBondContact OG1-ND1 2.92Å; T306-D341 PolarHBondContact N-OD2 3.24Å; T306-D341 VanDerWaalsContact OG1-CB 3.27Å; T306-D341 WeakPolarHBondContact OG1-CB 3.43Å; T306-D341 PolarHBondContact OG1-OD2 3.44Å
307	E	79.3	Confident	85.7	Confident	50 Å²	50	32.9 Å²	32.9	23%	0.234	18%	0.18	C	C	.	.			trans	-71.3	164.1	178.1	-66.1	-61.4	154.1	0	0	111.6	K305 N309 G310 I312 H314	K305-E307 WeakPolarHBondContact CE-OE1 3.18Å; K305-E307 IonicContact NZ-OE1 3.59Å; K305-E307 PolarHBondContact NZ-OE1 3.17Å; K305-E307 IonicContact NZ-OE2 2.96Å; K305-E307 PolarHBondContact NZ-OE2 3.42Å; E307-N309 PolarHBondContact O-N 3.3Å; E307-G310 PolarHBondContact O-N 3.32Å; E307-I312 HydrophobicContact CB-CB 4.07Å; E307-I312 HydrophobicContact CG-CB 4Å; E307-I312 HydrophobicContact CG-CG2 3.91Å; E307-I312 PolarHBondContact N-O 3.11Å; E307-H314 IonicContact OE1-CD2 2.95Å; E307-H314 PolarHBondContact OE1-CD2 3.01Å; E307-H314 IonicContact OE1-NE2 3.33Å
308	E	70.5	Confident	85.8	Confident	122 Å²	122	32.1 Å²	32.1	57%	0.57	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-27.9	-174.3	-61.7	-170.4	143.4	0	0	114.4	G310 C365	E308-G310 PolarHBondContact O-N 3.22Å; E308-C365 HydrophobicContact CB-CB 4.15Å; E308-C365 HydrophobicContact CG-CB 4Å
309	N	67.6	Low	85.8	Confident	84 Å²	84	31.3 Å²	31.3	45%	0.449	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-10.9	177.5	64.8	6.1	0	0	0	113.3	E307 D311 I312	E307-N309 PolarHBondContact O-N 3.3Å; N309-D311 PolarHBondContact O-N 3.35Å; N309-D311 VanDerWaalsContact O-N 3.14Å; N309-D311 PolarHBondContact OD1-N 2.97Å; N309-D311 VanDerWaalsContact OD1-N 3.08Å; N309-I312 VanDerWaalsContact ND2-CD1 3.29Å; N309-I312 WeakPolarHBondContact ND2-CD1 3.43Å; N309-I312 WeakPolarHBondContact ND2-CG1 3.36Å; N309-I312 PolarHBondContact OD1-N 2.91Å; N309-I312 VanDerWaalsContact OD1-N 3.08Å
310	G	69.1	Low	85.7	Confident	40 Å²	40	31.3 Å²	31.3	41%	0.412	17%	0.169	S	C	.	.	S	Bend	trans	72.5	-5.4	-178.5	0	0	0	0	0	115	E307 E308 H313	E307-G310 PolarHBondContact O-N 3.32Å; E308-G310 PolarHBondContact O-N 3.22Å; G310-H313 PolarHBondContact O-CE1 3.21Å; G310-H313 PolarHBondContact O-NE2 2.98Å
311	D	70.3	Confident	85.3	Confident	137 Å²	137	36.2 Å²	36.2	73%	0.733	20%	0.195	S	C	*	.	S	Bend	trans	-104.6	-27.9	-172.7	-69.3	-31.4	0	0	0	112.6	N309 H313	N309-D311 PolarHBondContact O-N 3.35Å; N309-D311 VanDerWaalsContact O-N 3.14Å; N309-D311 PolarHBondContact OD1-N 2.97Å; N309-D311 VanDerWaalsContact OD1-N 3.08Å; D311-H313 PolarHBondContact O-CD2 3.37Å; D311-H313 VanDerWaalsContact O-CD2 3.28Å
312	I	79.3	Confident	85	Confident	73 Å²	73	39.7 Å²	39.7	37%	0.374	22%	0.217	S	C	.	.			trans	-99	124.4	-178.7	-61.1	173.3	0	0	0	109	E307 N309 H314	E307-I312 HydrophobicContact CB-CB 4.07Å; E307-I312 HydrophobicContact CG-CB 4Å; E307-I312 HydrophobicContact CG-CG2 3.91Å; E307-I312 PolarHBondContact N-O 3.11Å; N309-I312 VanDerWaalsContact ND2-CD1 3.29Å; N309-I312 WeakPolarHBondContact ND2-CD1 3.43Å; N309-I312 WeakPolarHBondContact ND2-CG1 3.36Å; N309-I312 PolarHBondContact OD1-N 2.91Å; N309-I312 VanDerWaalsContact OD1-N 3.08Å; I312-H314 VanDerWaalsContact CG2-CE1 3.49Å; I312-H314 WeakPolarHBondContact CG2-CE1 3Å
313	H	83.6	Confident	84.6	Confident	24 Å²	24	42.4 Å²	42.4	11%	0.111	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.5	-179.5	-52.7	-95.7	0	0	0	110.3	K305 T306 G310 D311 Q330 M338	K305-H313 WeakPolarHBondContact O-CA 3.24Å; T306-H313 VanDerWaalsContact CG2-CE1 3.42Å; T306-H313 WeakPolarHBondContact CG2-CE1 3.27Å; T306-H313 WeakPolarHBondContact CG2-ND1 3.35Å; T306-H313 PolarHBondContact OG1-CE1 3.37Å; T306-H313 PolarHBondContact OG1-ND1 2.92Å; G310-H313 PolarHBondContact O-CE1 3.21Å; G310-H313 PolarHBondContact O-NE2 2.98Å; D311-H313 PolarHBondContact O-CD2 3.37Å; D311-H313 VanDerWaalsContact O-CD2 3.28Å; H313-Q330 PolarHBondContact O-NE2 3.44Å; H313-M338 HydrophobicContact CB-CE 4.04Å; H313-M338 WeakPolarHBondContact CD2-CE 3.32Å; H313-M338 VanDerWaalsContact NE2-CE 3.3Å; H313-M338 WeakPolarHBondContact NE2-CE 3.38Å
314	H	88.2	Confident	84.5	Confident	29 Å²	29	47.5 Å²	47.5	13%	0.134	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.2	175.4	-61.1	-46.5	0	0	0	108.2	H304 K305 E307 I312 F316 L600	H304-H314 WeakPolarHBondContact CA-O 3.41Å; K305-H314 PolarHBondContact N-O 2.98Å; K305-H314 PolarHBondContact O-N 2.89Å; E307-H314 IonicContact OE1-CD2 2.95Å; E307-H314 PolarHBondContact OE1-CD2 3.01Å; E307-H314 IonicContact OE1-NE2 3.33Å; I312-H314 VanDerWaalsContact CG2-CE1 3.49Å; I312-H314 WeakPolarHBondContact CG2-CE1 3Å; H314-F316 HydrophobicContact CB-CE1 4.37Å; H314-L600 HydrophobicContact CB-CD1 4.33Å; H314-L600 HydrophobicContact CB-CD2 4.41Å
315	S	90.6	Very high	84.6	Confident	17 Å²	17	49 Å²	49	12%	0.119	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.4	175.2	-61.6	0	0	0	0	109.7	I303 H304 L328	I303-S315 WeakPolarHBondContact O-CA 3.43Å; H304-S315 PolarHBondContact ND1-OG 2.81Å; S315-L328 PolarHBondContact O-N 2.84Å
316	F	91.7	Very high	84.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	158	176.1	42.2	-92.4	0	0	0	109.9	I303 H314 W325 R326 M596 P597 L600	I303-F316 HydrophobicContact CB-CD2 3.73Å; I303-F316 HydrophobicContact CB-CE2 3.58Å; I303-F316 HydrophobicContact CB-CG 4.38Å; I303-F316 HydrophobicContact CB-CZ 4.09Å; I303-F316 HydrophobicContact CD1-CD2 3.97Å; I303-F316 HydrophobicContact CD1-CE2 3.38Å; I303-F316 HydrophobicContact CD1-CZ 4.26Å; I303-F316 HydrophobicContact CG1-CD2 4.37Å; I303-F316 HydrophobicContact CG1-CE2 4.05Å; I303-F316 HydrophobicContact CG2-CD2 4.06Å; I303-F316 HydrophobicContact CG2-CE1 4.01Å; I303-F316 HydrophobicContact CG2-CE2 3.5Å; I303-F316 HydrophobicContact CG2-CZ 3.47Å; I303-F316 VanDerWaalsContact CG2-CZ 3.47Å; I303-F316 PolarHBondContact N-O 2.99Å; I303-F316 PolarHBondContact O-N 3.16Å; I303-F316 VanDerWaalsContact O-N 3.13Å; H314-F316 HydrophobicContact CB-CE1 4.37Å; F316-W325 AromaticContact CD2-CE3 3.61Å; F316-W325 HydrophobicContact CD2-CE3 3.61Å; F316-W325 HydrophobicContact CD2-CH2 4.47Å; F316-W325 AromaticContact CD2-CZ3 3.42Å; F316-W325 HydrophobicContact CD2-CZ3 3.42Å; F316-W325 VanDerWaalsContact CD2-CZ3 3.42Å; F316-W325 HydrophobicContact CE2-CE3 4.15Å; F316-W325 HydrophobicContact CE2-CH2 4.36Å; F316-W325 AromaticContact CE2-CZ3 3.7Å; F316-W325 HydrophobicContact CE2-CZ3 3.7Å; F316-R326 CarbonylContact C-O 3.55Å; F316-R326 WeakPolarHBondContact CA-O 3.36Å; F316-R326 WeakPolarHBondContact CB-O 3.43Å; F316-M596 HydrophobicContact CE2-CB 4.08Å; F316-M596 HydrophobicContact CE2-CG 4.22Å; F316-M596 HydrophobicContact CE2-SD 3.95Å; F316-M596 HydrophobicContact CZ-CB 4.32Å; F316-M596 HydrophobicContact CZ-SD 4.17Å; F316-P597 HydrophobicContact CB-CG 4.32Å; F316-P597 HydrophobicContact CD2-CG 4.35Å; F316-P597 HydrophobicContact CG-CG 4.27Å; F316-L600 HydrophobicContact CE1-CD1 3.48Å; F316-L600 VanDerWaalsContact CE1-CD1 3.48Å; F316-L600 HydrophobicContact CE1-CG 4.23Å; F316-L600 HydrophobicContact CZ-CD1 3.4Å; F316-L600 HydrophobicContact CZ-CG 4.06Å
317	C	93.6	Very high	85	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.2	174.5	68	0	0	0	0	110.9	Y300 I301 W325 R326 L328 W617	Y300-C317 HydrophobicContact CD1-CB 4.19Å; I301-C317 CarbonylContact O-C 3.57Å; I301-C317 WeakPolarHBondContact O-CA 3.31Å; C317-W325 CarbonylContact O-C 3.58Å; C317-W325 WeakPolarHBondContact O-CA 3.25Å; C317-R326 PolarHBondContact N-O 3.23Å; C317-R326 PolarHBondContact O-N 3.49Å; C317-L328 HydrophobicContact CB-CD1 4.35Å; C317-W617 HydrophobicContact CB-CD2 4.34Å; C317-W617 HydrophobicContact CB-CE3 3.74Å; C317-W617 HydrophobicContact CB-CZ3 3.83Å
318	Y	93.6	Very high	85.4	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.2	172.1	174	-99.5	0	0	0	109.3	Y300 I301 L320 D323 W325 Y565	Y300-Y318 VanDerWaalsContact CA-O 3.27Å; Y300-Y318 WeakPolarHBondContact CA-O 3.45Å; I301-Y318 HydrophobicContact CD1-CD1 3.99Å; I301-Y318 HydrophobicContact CG1-CD1 4.33Å; I301-Y318 PolarHBondContact N-O 3Å; I301-Y318 PolarHBondContact O-N 3.21Å; Y318-L320 HydrophobicContact CD1-CD2 4.03Å; Y318-L320 HydrophobicContact CE1-CD2 3.94Å; Y318-D323 WeakPolarHBondContact CE2-OD1 3.41Å; Y318-D323 PolarHBondContact OH-OD1 3.5Å; Y318-W325 VanDerWaalsContact CB-CZ3 3.48Å; Y318-W325 AromaticContact CD2-CD1 3.96Å; Y318-W325 AromaticContact CD2-CD2 3.81Å; Y318-W325 HydrophobicContact CD2-CD2 3.81Å; Y318-W325 AromaticContact CD2-CE2 3.57Å; Y318-W325 HydrophobicContact CD2-CE3 4.4Å; Y318-W325 HydrophobicContact CD2-CG 4.05Å; Y318-W325 AromaticContact CD2-CZ2 3.96Å; Y318-W325 HydrophobicContact CD2-CZ2 3.96Å; Y318-W325 AromaticContact CD2-NE1 3.68Å; Y318-W325 HydrophobicContact CG-CD2 4.3Å; Y318-W325 HydrophobicContact CG-CE3 4.47Å; Y318-W325 HydrophobicContact CG-CH2 4.28Å; Y318-W325 HydrophobicContact CG-CZ2 4.12Å; Y318-W325 HydrophobicContact CG-CZ3 4.44Å; Y318-Y565 HydrophobicContact CD1-CE1 4.3Å; Y318-Y565 HydrophobicContact CE1-CD1 4.41Å; Y318-Y565 AromaticContact CE1-CE1 3.53Å; Y318-Y565 HydrophobicContact CE1-CE1 3.53Å; Y318-Y565 AromaticContact CE1-CZ 3.94Å
319	C	92.6	Very high	85.4	Confident	3 Å²	3	53 Å²	53	2%	0.02	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	117.4	-180	-176.8	0	0	0	0	109.8	Y300 D321 T322 D323 Q324	Y300-C319 HydrophobicContact CD1-CB 4.02Å; Y300-C319 HydrophobicContact CE1-CB 3.69Å; C319-D321 VanDerWaalsContact C-N 3.34Å; C319-D321 PolarHBondContact O-N 2.87Å; C319-T322 VanDerWaalsContact CB-OG1 3.26Å; C319-T322 WeakPolarHBondContact CB-OG1 3.29Å; C319-T322 PolarHBondContact SG-OG1 3.33Å; C319-D323 WeakPolarHBondContact O-CA 3.26Å; C319-D323 PolarHBondContact O-N 3.29Å; C319-Q324 PolarHBondContact N-O 3.49Å
320	L	89.5	Confident	85.2	Confident	23 Å²	23	53.1 Å²	53.1	12%	0.12	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-32.3	-175.2	-66.7	172.3	0	0	0	112.8	S299 I301 Y318 V560 Y565	S299-L320 WeakPolarHBondContact O-CG 3.31Å; S299-L320 PolarHBondContact O-N 3.43Å; I301-L320 HydrophobicContact CD1-CD2 4Å; I301-L320 HydrophobicContact CG1-CD2 3.99Å; Y318-L320 HydrophobicContact CD1-CD2 4.03Å; Y318-L320 HydrophobicContact CE1-CD2 3.94Å; L320-V560 HydrophobicContact CD1-CB 4.24Å; L320-V560 HydrophobicContact CD1-CG1 3.67Å; L320-V560 HydrophobicContact CD1-CG2 3.63Å; L320-V560 HydrophobicContact CD2-CG1 3.82Å; L320-V560 HydrophobicContact CG-CG1 4.44Å; L320-Y565 HydrophobicContact CD2-CE2 3.83Å
321	D	86.7	Confident	84.5	Confident	105 Å²	105	52.6 Å²	52.6	56%	0.561	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-38.4	-179.7	-78.8	8.5	0	0	0	112.4	E298 C319 R612	E298-D321 VanDerWaalsContact OE1-CB 3.29Å; E298-D321 WeakPolarHBondContact OE1-CB 3.4Å; C319-D321 VanDerWaalsContact C-N 3.34Å; C319-D321 PolarHBondContact O-N 2.87Å; D321-R612 IonicContact OD2-NH2 3.83Å; D321-R612 PolarHBondContact OD2-NH2 3.41Å; D321-R612 VanDerWaalsContact OD2-NH2 3.14Å
322	T	87.9	Confident	83.4	Confident	73 Å²	73	55.2 Å²	55.2	45%	0.448	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-10.3	-175.9	66.5	0	0	0	0	114.2	C319 Q324	C319-T322 VanDerWaalsContact CB-OG1 3.26Å; C319-T322 WeakPolarHBondContact CB-OG1 3.29Å; C319-T322 PolarHBondContact SG-OG1 3.33Å; T322-Q324 WeakPolarHBondContact O-CG 3.4Å; T322-Q324 PolarHBondContact O-N 3.31Å
323	D	87.6	Confident	81.8	Confident	61 Å²	61	53.5 Å²	53.5	33%	0.326	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	51.4	-173.5	-175.4	13.4	0	0	0	111.5	Y318 C319 T594	Y318-D323 WeakPolarHBondContact CE2-OD1 3.41Å; Y318-D323 PolarHBondContact OH-OD1 3.5Å; C319-D323 WeakPolarHBondContact O-CA 3.26Å; C319-D323 PolarHBondContact O-N 3.29Å; D323-T594 PolarHBondContact OD1-OG1 3.07Å
324	Q	90.3	Very high	79.7	Confident	107 Å²	107	60.1 Å²	60.1	50%	0.5	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.2	-177.8	-66.6	-63.9	-62	0	0	111.4	C319 T322	C319-Q324 PolarHBondContact N-O 3.49Å; T322-Q324 WeakPolarHBondContact O-CG 3.4Å; T322-Q324 PolarHBondContact O-N 3.31Å
325	W	92.7	Very high	77.9	Confident	38 Å²	38	61.6 Å²	61.6	14%	0.144	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	145.2	169.8	-68.5	98.5	0	0	0	111.9	I303 F316 C317 Y318 L567 V580 T594 P595 M596 P597	I303-W325 HydrophobicContact CD1-CH2 3.68Å; I303-W325 HydrophobicContact CD1-CZ3 3.74Å; F316-W325 AromaticContact CD2-CE3 3.61Å; F316-W325 HydrophobicContact CD2-CE3 3.61Å; F316-W325 HydrophobicContact CD2-CH2 4.47Å; F316-W325 AromaticContact CD2-CZ3 3.42Å; F316-W325 HydrophobicContact CD2-CZ3 3.42Å; F316-W325 VanDerWaalsContact CD2-CZ3 3.42Å; F316-W325 HydrophobicContact CE2-CE3 4.15Å; F316-W325 HydrophobicContact CE2-CH2 4.36Å; F316-W325 AromaticContact CE2-CZ3 3.7Å; F316-W325 HydrophobicContact CE2-CZ3 3.7Å; C317-W325 CarbonylContact O-C 3.58Å; C317-W325 WeakPolarHBondContact O-CA 3.25Å; Y318-W325 VanDerWaalsContact CB-CZ3 3.48Å; Y318-W325 AromaticContact CD2-CD1 3.96Å; Y318-W325 AromaticContact CD2-CD2 3.81Å; Y318-W325 HydrophobicContact CD2-CD2 3.81Å; Y318-W325 AromaticContact CD2-CE2 3.57Å; Y318-W325 HydrophobicContact CD2-CE3 4.4Å; Y318-W325 HydrophobicContact CD2-CG 4.05Å; Y318-W325 AromaticContact CD2-CZ2 3.96Å; Y318-W325 HydrophobicContact CD2-CZ2 3.96Å; Y318-W325 AromaticContact CD2-NE1 3.68Å; Y318-W325 HydrophobicContact CG-CD2 4.3Å; Y318-W325 HydrophobicContact CG-CE3 4.47Å; Y318-W325 HydrophobicContact CG-CH2 4.28Å; Y318-W325 HydrophobicContact CG-CZ2 4.12Å; Y318-W325 HydrophobicContact CG-CZ3 4.44Å; W325-L567 HydrophobicContact CH2-CD2 4Å; W325-L567 HydrophobicContact CZ2-CD2 4.15Å; W325-V580 HydrophobicContact CZ2-CG2 3.91Å; W325-T594 PolarHBondContact NE1-O 2.77Å; W325-T594 PolarHBondContact NE1-OG1 2.77Å; W325-P595 PolarHBondContact NE1-O 2.93Å; W325-P595 VanDerWaalsContact NE1-O 3.12Å; W325-M596 HydrophobicContact CH2-CG 3.77Å; W325-M596 HydrophobicContact CH2-SD 4.48Å; W325-M596 HydrophobicContact CZ2-CB 4.41Å; W325-M596 HydrophobicContact CZ2-CG 3.72Å; W325-M596 HydrophobicContact CZ3-CG 4.43Å; W325-P597 HydrophobicContact CB-CG 3.76Å; W325-P597 HydrophobicContact CD2-CG 4.33Å; W325-P597 HydrophobicContact CE3-CG 4.31Å; W325-P597 HydrophobicContact CG-CG 4.13Å
326	R	90.8	Very high	76.3	Confident	89 Å²	89	64.5 Å²	64.5	34%	0.336	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131	171.9	-62.5	-175.9	-173.7	-163.7	-2	110.1	F316 C317 W617	F316-R326 CarbonylContact C-O 3.55Å; F316-R326 WeakPolarHBondContact CA-O 3.36Å; F316-R326 WeakPolarHBondContact CB-O 3.43Å; C317-R326 PolarHBondContact N-O 3.23Å; C317-R326 PolarHBondContact O-N 3.49Å; R326-W617 PolarHBondContact NH1-O 2.68Å
327	E	89.1	Confident	74.9	Confident	96 Å²	96	66.9 Å²	66.9	45%	0.449	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.6	170.4	-171.3	165.8	177.5	0	0	109.5	Q330 R598	E327-Q330 PolarHBondContact OE1-NE2 3.01Å; E327-R598 IonicContact OE1-CZ 3.43Å; E327-R598 IonicContact OE1-NH1 3.27Å; E327-R598 PolarHBondContact OE1-NH1 2.98Å; E327-R598 IonicContact OE1-NH2 2.68Å; E327-R598 PolarHBondContact OE1-NH2 3.01Å; E327-R598 IonicContact OE2-CZ 3.7Å; E327-R598 IonicContact OE2-NH1 2.98Å; E327-R598 PolarHBondContact OE2-NH1 3.18Å; E327-R598 IonicContact OE2-NH2 3.56Å
328	L	87.1	Confident	73.7	Confident	18 Å²	18	71 Å²	71	9%	0.094	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-88.3	143	-179.8	-62.6	177.2	0	0	0	109.7	Y302 S315 C317 Q330 W617	Y302-L328 HydrophobicContact CD2-CD1 3.83Å; Y302-L328 HydrophobicContact CE2-CD1 3.63Å; S315-L328 PolarHBondContact O-N 2.84Å; C317-L328 HydrophobicContact CB-CD1 4.35Å; L328-Q330 PolarHBondContact O-N 3.03Å; L328-Q330 VanDerWaalsContact O-N 3.15Å; L328-W617 HydrophobicContact CD1-CH2 4.32Å; L328-W617 HydrophobicContact CD1-CZ2 3.73Å; L328-W617 VanDerWaalsContact CD2-CD1 3.46Å; L328-W617 HydrophobicContact CD2-CD2 4.03Å; L328-W617 HydrophobicContact CD2-CG 3.87Å
329	P	72.4	Confident	72.7	Confident	93 Å²	93	71.5 Å²	71.5	60%	0.604	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-56.4	123.4	-178.5	-10.1	13.5	0	0	0	111.3	G331	P329-G331 PolarHBondContact O-N 3.16Å
330	Q	63.4	Low	72.1	Confident	88 Å²	88	73 Å²	73	41%	0.411	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-74.8	117.8	170.2	-61.4	177.5	19.1	0	0	106.9	H313 E327 L328 Q332	H313-Q330 PolarHBondContact O-NE2 3.44Å; E327-Q330 PolarHBondContact OE1-NE2 3.01Å; L328-Q330 PolarHBondContact O-N 3.03Å; L328-Q330 VanDerWaalsContact O-N 3.15Å; Q330-Q332 VanDerWaalsContact C-N 3.27Å; Q330-Q332 PolarHBondContact O-N 3.4Å
331	G	54.1	Low	71.6	Confident	28 Å²	28	72.9 Å²	72.9	29%	0.289	41%	0.409	S	S	.	.			trans	-61.4	67.2	-165.7	0	0	0	0	0	116.9	P329 G333	P329-G331 PolarHBondContact O-N 3.16Å; G331-G333 VanDerWaalsContact C-N 3.3Å; G331-G333 PolarHBondContact O-N 3.46Å
332	Q	46.3	Very low	71.5	Confident	192 Å²	192	69.5 Å²	69.5	90%	0.897	39%	0.393	S	S	*	.			trans	-94.1	43.5	171	-64.8	-163	-5.4	0	0	112	Q330	Q330-Q332 VanDerWaalsContact C-N 3.27Å; Q330-Q332 PolarHBondContact O-N 3.4Å
333	G	47	Very low	71.2	Confident	38 Å²	38	66.8 Å²	66.8	39%	0.392	38%	0.376	S	S	.	.	S	Bend	trans	-143.2	154.3	-179.6	0	0	0	0	0	113.4	G331 G335 F336	G331-G333 VanDerWaalsContact C-N 3.3Å; G331-G333 PolarHBondContact O-N 3.46Å; G333-G335 PolarHBondContact O-N 3Å; G333-F336 PolarHBondContact O-N 3.42Å
334	V	38.7	Very low	70.9	Confident	162 Å²	162	64.4 Å²	64.4	98%	0.982	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	117.6	177.5	-176.1	0	0	0	0	109.5
335	G	50.3	Low	70.9	Confident	60 Å²	60	59.8 Å²	59.8	62%	0.619	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.4	-8	177.1	0	0	0	0	0	115.6	G333	G333-G335 PolarHBondContact O-N 3Å
336	F	56.3	Low	70.9	Confident	79 Å²	79	58.7 Å²	58.7	35%	0.346	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-81.6	124.9	171.3	-74.5	-90.3	0	0	0	110.3	G333 H391	G333-F336 PolarHBondContact O-N 3.42Å; F336-H391 HydrophobicContact CD1-CB 3.78Å; F336-H391 HydrophobicContact CE1-CB 3.82Å; F336-H391 AromaticContact CE1-CG 3.58Å; F336-H391 AromaticContact CE1-ND1 3.65Å
337	S	62.3	Low	71.1	Confident	50 Å²	50	55 Å²	55	35%	0.35	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-103.2	123.7	167.4	-171.4	0	0	0	0	108.9	H391 C393	S337-H391 PolarHBondContact N-O 3.3Å; S337-C393 VanDerWaalsContact OG-CB 3.28Å; S337-C393 WeakPolarHBondContact OG-CB 3.33Å
338	M	68.1	Low	71.4	Confident	87 Å²	87	50.5 Å²	50.5	43%	0.429	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-67.4	140.2	178.3	-57.3	-151.4	66.9	0	0	110.6	H313 P340	H313-M338 HydrophobicContact CB-CE 4.04Å; H313-M338 WeakPolarHBondContact CD2-CE 3.32Å; H313-M338 VanDerWaalsContact NE2-CE 3.3Å; H313-M338 WeakPolarHBondContact NE2-CE 3.38Å; M338-P340 WeakPolarHBondContact O-CD 3.49Å
339	T	73.3	Confident	71.7	Confident	11 Å²	11	50.4 Å²	50.4	7%	0.067	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-70.9	121.3	170.5	-52.9	0	0	0	0	108.1	D341 V356 Y386	T339-D341 PolarHBondContact O-N 3.3Å; T339-V356 HydrophobicContact CG2-CG2 3.69Å; T339-Y386 WeakPolarHBondContact OG1-CD1 3.49Å; T339-Y386 VanDerWaalsContact OG1-CG 3.29Å
340	P	79.7	Confident	72.7	Confident	36 Å²	36	46.4 Å²	46.4	23%	0.234	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-64.6	136.1	174.2	-23.2	37.1	0	0	0	109.7	M338 P342 V356 W384 C393	M338-P340 WeakPolarHBondContact O-CD 3.49Å; P340-P342 VanDerWaalsContact C-CD 3.47Å; P340-V356 WeakPolarHBondContact O-CG1 3.42Å; P340-V356 WeakPolarHBondContact O-CG2 3.45Å; P340-W384 HydrophobicContact CB-CG 4.23Å; P340-W384 HydrophobicContact CG-CB 4.12Å; P340-W384 HydrophobicContact CG-CD2 3.62Å; P340-W384 HydrophobicContact CG-CE3 4.1Å; P340-W384 HydrophobicContact CG-CG 3.6Å; P340-C393 VanDerWaalsContact CD-SG 3.54Å
341	D	80.3	Confident	74	Confident	19 Å²	19	43.4 Å²	43.4	10%	0.102	27%	0.274	C	S	.	.			trans	-131.9	62.6	177.5	-173.1	23.3	0	0	0	110.7	H304 T306 T339 R366 H604	H304-D341 IonicContact CD2-OD2 3.68Å; H304-D341 IonicContact NE2-OD2 3.66Å; T306-D341 PolarHBondContact N-OD2 3.24Å; T306-D341 VanDerWaalsContact OG1-CB 3.27Å; T306-D341 WeakPolarHBondContact OG1-CB 3.43Å; T306-D341 PolarHBondContact OG1-OD2 3.44Å; T339-D341 PolarHBondContact O-N 3.3Å; D341-R366 VanDerWaalsContact CG-NH2 3.26Å; D341-R366 IonicContact OD1-CZ 3.96Å; D341-R366 IonicContact OD1-NH1 3.1Å; D341-R366 IonicContact OD1-NH2 2.81Å; D341-R366 PolarHBondContact OD1-NH2 3.43Å; D341-R366 IonicContact OD2-CZ 3.52Å; D341-R366 IonicContact OD2-NH1 3.35Å; D341-R366 IonicContact OD2-NH2 3.61Å; D341-R366 PolarHBondContact OD2-NH2 2.8Å; D341-H604 IonicContact OD1-CD2 3.61Å; D341-H604 PolarHBondContact OD1-CD2 3.13Å; D341-H604 IonicContact OD1-NE2 2.82Å; D341-H604 PolarHBondContact OD1-NE2 2.84Å
342	P	82.7	Confident	75.7	Confident	35 Å²	35	42.2 Å²	42.2	23%	0.227	26%	0.261	C	S	.	.			trans	-65.1	145.1	178.9	24.4	-26.5	0	0	0	110	P340 G344 S345 G358	P340-P342 VanDerWaalsContact C-CD 3.47Å; P342-G344 PolarHBondContact O-N 2.89Å; P342-S345 WeakPolarHBondContact O-CB 3.45Å; P342-S345 PolarHBondContact O-N 3.23Å; P342-S345 VanDerWaalsContact O-N 3.08Å; P342-S345 PolarHBondContact O-OG 3.03Å; P342-G358 WeakPolarHBondContact CG-O 3.48Å
343	S	82.2	Confident	77.9	Confident	15 Å²	15	34.2 Å²	34.2	11%	0.105	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	135	176.8	-62.1	0	0	0	0	111	S345 G359 C360 C364	S343-S345 VanDerWaalsContact C-N 3.26Å; S343-S345 PolarHBondContact O-N 3.18Å; S343-G359 CarbonylContact O-C 3.55Å; S343-G359 WeakPolarHBondContact O-CA 3.48Å; S343-C360 PolarHBondContact O-N 2.71Å; S343-C360 PolarHBondContact O-SG 3.17Å; S343-C360 VanDerWaalsContact O-SG 3.42Å; S343-C364 WeakPolarHBondContact CB-O 3.4Å; S343-C364 PolarHBondContact OG-O 3.31Å
344	G	82.1	Confident	80.2	Confident	11 Å²	11	32.4 Å²	32.4	11%	0.113	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	10.9	-177.7	0	0	0	0	0	115.8	P342 T404 M405	P342-G344 PolarHBondContact O-N 2.89Å; G344-T404 PolarHBondContact O-OG1 2.98Å; G344-M405 WeakPolarHBondContact CA-SD 3.49Å; G344-M405 PolarHBondContact O-N 2.82Å
345	S	90.5	Very high	82.9	Confident	11 Å²	11	24.9 Å²	24.9	8%	0.077	16%	0.159	C	C	.	.			trans	-71.4	167.5	166	60.3	0	0	0	0	111.8	P342 S343 T357 G358 H604	P342-S345 WeakPolarHBondContact O-CB 3.45Å; P342-S345 PolarHBondContact O-N 3.23Å; P342-S345 VanDerWaalsContact O-N 3.08Å; P342-S345 PolarHBondContact O-OG 3.03Å; S343-S345 VanDerWaalsContact C-N 3.26Å; S343-S345 PolarHBondContact O-N 3.18Å; S345-T357 WeakPolarHBondContact CA-O 3.34Å; S345-T357 WeakPolarHBondContact CB-O 3.37Å; S345-G358 WeakPolarHBondContact CB-O 3.34Å; S345-H604 PolarHBondContact O-CE1 3.37Å; S345-H604 PolarHBondContact OG-NE2 3.01Å
346	S	92.6	Very high	85.1	Confident	14 Å²	14	22.2 Å²	22.2	10%	0.098	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.6	171.9	-171.6	0	0	0	0	110.6	V356 T357 A408	S346-V356 WeakPolarHBondContact O-CA 3.42Å; S346-T357 PolarHBondContact N-O 2.68Å; S346-T357 PolarHBondContact O-N 3.38Å; S346-T357 PolarHBondContact O-OG1 2.95Å; S346-A408 WeakPolarHBondContact OG-CB 3.29Å; S346-A408 PolarHBondContact OG-N 3.01Å
347	L	93.9	Very high	86.9	Confident	13 Å²	13	18.5 Å²	18.5	7%	0.068	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132	177.9	-175.6	75.4	0	0	0	110.1	Y302 L354 F355 V356 H604 Q606	Y302-L347 HydrophobicContact CD1-CD2 3.93Å; Y302-L347 HydrophobicContact CE1-CD2 4.02Å; L347-L354 HydrophobicContact CD1-CB 4.2Å; L347-L354 HydrophobicContact CD1-CD2 4.48Å; L347-L354 HydrophobicContact CD2-CD2 4.48Å; L347-F355 WeakPolarHBondContact CA-O 3.44Å; L347-V356 HydrophobicContact CD1-CG2 3.57Å; L347-H604 HydrophobicContact CB-CB 3.86Å; L347-H604 HydrophobicContact CD2-CB 3.59Å; L347-H604 HydrophobicContact CG-CB 4.35Å; L347-Q606 HydrophobicContact CD2-CB 4.03Å; L347-Q606 HydrophobicContact CG-CB 4.49Å
348	T	95.1	Very high	88.4	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	162.7	168.7	-160	0	0	0	0	110.8	F355 A408 T410 L415	T348-F355 HydrophobicContact CG2-CB 4.27Å; T348-F355 PolarHBondContact N-O 3.21Å; T348-F355 PolarHBondContact O-N 3.39Å; T348-A408 HydrophobicContact CG2-CB 4.2Å; T348-T410 PolarHBondContact OG1-OG1 2.92Å; T348-L415 HydrophobicContact CG2-CB 4.32Å; T348-L415 HydrophobicContact CG2-CD2 3.6Å; T348-L415 HydrophobicContact CG2-CG 3.78Å
349	S	94.3	Very high	89.4	Confident	17 Å²	17	12.1 Å²	12.1	12%	0.119	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.4	178.8	63.4	0	0	0	0	111.4	K353 T410 Q606 V607	S349-K353 WeakPolarHBondContact CA-O 3.35Å; S349-T410 WeakPolarHBondContact O-CB 3.33Å; S349-T410 PolarHBondContact O-OG1 3.15Å; S349-Q606 WeakPolarHBondContact OG-CG 3.33Å; S349-Q606 PolarHBondContact OG-NE2 3.43Å; S349-V607 VanDerWaalsContact CB-O 3.28Å; S349-V607 WeakPolarHBondContact CB-O 3.24Å; S349-V607 PolarHBondContact OG-O 2.86Å
350	Y	93.4	Very high	89.9	Confident	9 Å²	9	12.1 Å²	12.1	4%	0.035	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	122.8	167.6	173.5	-111.4	0	0	0	109.5	L288 P290 E352 K353 T410 D413 L415 P440	L288-Y350 HydrophobicContact CB-CE1 4.25Å; L288-Y350 HydrophobicContact CD2-CD1 3.67Å; L288-Y350 HydrophobicContact CD2-CE1 3.89Å; P290-Y350 HydrophobicContact CB-CE2 3.88Å; P290-Y350 WeakPolarHBondContact CG-OH 3.46Å; Y350-E352 PolarHBondContact O-N 2.8Å; Y350-K353 PolarHBondContact N-O 3.14Å; Y350-K353 PolarHBondContact O-N 2.98Å; Y350-K353 VanDerWaalsContact O-N 3.12Å; Y350-T410 HydrophobicContact CD2-CG2 3.9Å; Y350-T410 HydrophobicContact CG-CG2 4.47Å; Y350-D413 HydrophobicContact CE2-CB 3.71Å; Y350-D413 WeakPolarHBondContact CE2-OD1 3.34Å; Y350-L415 HydrophobicContact CG-CD1 4.11Å; Y350-P440 HydrophobicContact CD1-CB 3.77Å; Y350-P440 HydrophobicContact CD1-CG 3.49Å; Y350-P440 VanDerWaalsContact CD1-CG 3.49Å; Y350-P440 HydrophobicContact CE1-CB 3.82Å; Y350-P440 HydrophobicContact CE1-CG 3.78Å; Y350-P440 HydrophobicContact CG-CG 4.21Å
351	A	90.4	Very high	89.8	Confident	25 Å²	25	16.7 Å²	16.7	21%	0.207	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	-127.9	-168.5	0	0	0	0	0	111.1	G287 K353	G287-A351 WeakPolarHBondContact O-CB 3.46Å; A351-K353 VanDerWaalsContact C-N 3.26Å; A351-K353 PolarHBondContact O-N 3.36Å
352	E	90.8	Very high	89.2	Confident	3 Å²	3	18.9 Å²	18.9	1%	0.014	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	19.7	-177.5	-56.9	178	169.7	0	0	113.1	G287 Y350 P388 F610 N611 R614	G287-E352 PolarHBondContact O-N 2.97Å; Y350-E352 PolarHBondContact O-N 2.8Å; E352-P388 WeakPolarHBondContact O-CD 3.48Å; E352-F610 HydrophobicContact CB-CD1 3.84Å; E352-F610 HydrophobicContact CB-CE1 4.09Å; E352-F610 HydrophobicContact CG-CD1 3.97Å; E352-N611 PolarHBondContact OE1-N 2.73Å; E352-N611 PolarHBondContact OE1-ND2 2.9Å; E352-R614 IonicContact OE1-NH1 3.47Å; E352-R614 IonicContact OE2-CZ 2.66Å; E352-R614 IonicContact OE2-NE 2.77Å; E352-R614 IonicContact OE2-NH1 2.86Å; E352-R614 PolarHBondContact OE2-NH1 3.08Å; E352-R614 IonicContact OE2-NH2 3.72Å; E352-R614 PolarHBondContact OE2-NH2 3.36Å
353	K	93	Very high	88.3	Confident	24 Å²	24	24.1 Å²	24.1	10%	0.104	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.1	-174.3	-56.4	-165.9	-167.3	174	0	112.9	S286 L288 S349 Y350 A351 F355 C385	S286-K353 WeakPolarHBondContact O-CE 3.04Å; S286-K353 PolarHBondContact O-NZ 2.88Å; L288-K353 HydrophobicContact CD2-CB 4.39Å; L288-K353 HydrophobicContact CD2-CD 3.62Å; L288-K353 HydrophobicContact CD2-CG 4.01Å; L288-K353 HydrophobicContact CG-CD 4.16Å; S349-K353 WeakPolarHBondContact CA-O 3.35Å; Y350-K353 PolarHBondContact N-O 3.14Å; Y350-K353 PolarHBondContact O-N 2.98Å; Y350-K353 VanDerWaalsContact O-N 3.12Å; A351-K353 VanDerWaalsContact C-N 3.26Å; A351-K353 PolarHBondContact O-N 3.36Å; K353-F355 HydrophobicContact CB-CE2 3.82Å; K353-F355 HydrophobicContact CB-CZ 4.32Å; K353-C385 VanDerWaalsContact CD-SG 3.5Å
354	L	94.5	Very high	87.6	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.4	175.4	-69.3	170.3	0	0	0	109.5	Y302 L347 C385 Y386 P388 Q606 I608	Y302-L354 HydrophobicContact CD1-CD1 3.53Å; Y302-L354 HydrophobicContact CD1-CD2 4.38Å; Y302-L354 HydrophobicContact CD2-CD1 4.25Å; Y302-L354 HydrophobicContact CE1-CD1 3.49Å; Y302-L354 VanDerWaalsContact CE1-CD1 3.49Å; Y302-L354 HydrophobicContact CE2-CD1 4.23Å; Y302-L354 HydrophobicContact CG-CD1 3.91Å; L347-L354 HydrophobicContact CD1-CB 4.2Å; L347-L354 HydrophobicContact CD1-CD2 4.48Å; L347-L354 HydrophobicContact CD2-CD2 4.48Å; L354-C385 CarbonylContact O-C 3.54Å; L354-C385 WeakPolarHBondContact O-CA 3.46Å; L354-Y386 HydrophobicContact CB-CD1 4.44Å; L354-Y386 HydrophobicContact CD1-CD1 4.01Å; L354-Y386 PolarHBondContact N-O 2.91Å; L354-Y386 PolarHBondContact O-N 3.47Å; L354-P388 HydrophobicContact CD1-CG 4.29Å; L354-Q606 HydrophobicContact CD2-CG 4.28Å; L354-I608 HydrophobicContact CD1-CD1 4.4Å; L354-I608 HydrophobicContact CD2-CD1 4.08Å; L354-I608 HydrophobicContact CG-CD1 3.83Å
355	F	95.6	Very high	86.6	Confident	4 Å²	4	25 Å²	25	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.1	-179.4	-67.8	-94.8	0	0	0	109.7	L288 L347 T348 K353 V383 W384 C385 L415 Y438 P440	L288-F355 HydrophobicContact CD2-CZ 4.46Å; L347-F355 WeakPolarHBondContact CA-O 3.44Å; T348-F355 HydrophobicContact CG2-CB 4.27Å; T348-F355 PolarHBondContact N-O 3.21Å; T348-F355 PolarHBondContact O-N 3.39Å; K353-F355 HydrophobicContact CB-CE2 3.82Å; K353-F355 HydrophobicContact CB-CZ 4.32Å; F355-V383 HydrophobicContact CD1-CG1 4.48Å; F355-W384 CarbonylContact C-O 3.56Å; F355-W384 VanDerWaalsContact CA-O 3.3Å; F355-W384 WeakPolarHBondContact CA-O 3.44Å; F355-C385 HydrophobicContact CD1-CB 3.98Å; F355-C385 HydrophobicContact CE1-CB 3.72Å; F355-C385 HydrophobicContact CZ-CB 4.42Å; F355-L415 HydrophobicContact CB-CD2 3.51Å; F355-L415 HydrophobicContact CD1-CD2 3.91Å; F355-L415 HydrophobicContact CD2-CD2 3.49Å; F355-L415 VanDerWaalsContact CD2-CD2 3.49Å; F355-L415 HydrophobicContact CE1-CD2 4.49Å; F355-L415 HydrophobicContact CE2-CD2 4.13Å; F355-L415 HydrophobicContact CG-CD2 3.35Å; F355-Y438 HydrophobicContact CD1-CE1 4.43Å; F355-Y438 HydrophobicContact CE1-CD1 4.46Å; F355-Y438 AromaticContact CE1-CE1 3.86Å; F355-Y438 HydrophobicContact CE1-CE1 3.86Å; F355-Y438 HydrophobicContact CZ-CE1 4.5Å; F355-P440 HydrophobicContact CZ-CB 4.16Å; F355-P440 HydrophobicContact CZ-CG 4.36Å
356	V	95.2	Very high	85.2	Confident	4 Å²	4	26.2 Å²	26.2	2%	0.024	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.1	170.8	-179.2	0	0	0	0	107.9	T339 P340 S346 L347 V383 W384	T339-V356 HydrophobicContact CG2-CG2 3.69Å; P340-V356 WeakPolarHBondContact O-CG1 3.42Å; P340-V356 WeakPolarHBondContact O-CG2 3.45Å; S346-V356 WeakPolarHBondContact O-CA 3.42Å; L347-V356 HydrophobicContact CD1-CG2 3.57Å; V356-V383 CarbonylContact O-C 3.53Å; V356-V383 WeakPolarHBondContact O-CA 3.43Å; V356-W384 HydrophobicContact CB-CB 4.38Å; V356-W384 PolarHBondContact N-O 2.98Å; V356-W384 PolarHBondContact O-N 2.96Å
357	T	95.6	Very high	83.2	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.3	-177.1	56.6	0	0	0	0	110.2	S345 S346 V383 H406 V417	S345-T357 WeakPolarHBondContact CA-O 3.34Å; S345-T357 WeakPolarHBondContact CB-O 3.37Å; S346-T357 PolarHBondContact N-O 2.68Å; S346-T357 PolarHBondContact O-N 3.38Å; S346-T357 PolarHBondContact O-OG1 2.95Å; T357-V383 HydrophobicContact CG2-CG1 4.03Å; T357-V383 HydrophobicContact CG2-CG2 4.42Å; T357-H406 PolarHBondContact O-CE1 3.14Å; T357-H406 PolarHBondContact O-NE2 2.81Å; T357-H406 PolarHBondContact OG1-NE2 2.79Å; T357-V417 HydrophobicContact CG2-CG1 4.11Å
358	G	92.8	Very high	81.1	Confident	3 Å²	3	29.8 Å²	29.8	3%	0.031	17%	0.173	C	C	.	.			trans	61.3	-152.5	170.8	0	0	0	0	0	114.4	P342 S345 T380 E382 R403	P342-G358 WeakPolarHBondContact CG-O 3.48Å; S345-G358 WeakPolarHBondContact CB-O 3.34Å; G358-T380 VanDerWaalsContact C-CG2 3.4Å; G358-T380 WeakPolarHBondContact CA-O 3.45Å; G358-T380 WeakPolarHBondContact O-CG2 3.15Å; G358-E382 PolarHBondContact N-O 3.09Å; G358-R403 CarbonylContact C-O 3.52Å; G358-R403 VanDerWaalsContact CA-O 3.3Å; G358-R403 WeakPolarHBondContact CA-O 3.3Å
359	G	89.1	Confident	79.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.			trans	112.9	-179.5	-174.5	0	0	0	0	0	113.2	S343 A379 T380 R403	S343-G359 CarbonylContact O-C 3.55Å; S343-G359 WeakPolarHBondContact O-CA 3.48Å; G359-A379 CarbonylContact O-C 3.55Å; G359-A379 WeakPolarHBondContact O-CA 3.32Å; G359-T380 PolarHBondContact O-N 3.24Å; G359-R403 PolarHBondContact N-O 3.42Å
360	C	84.1	Confident	77.1	Confident	11 Å²	11	37.2 Å²	37.2	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	141.6	-177.2	-60.7	0	0	0	0	112.3	S343 C364 V372 H377 T404	S343-C360 PolarHBondContact O-N 2.71Å; S343-C360 PolarHBondContact O-SG 3.17Å; S343-C360 VanDerWaalsContact O-SG 3.42Å; C360-C364 HydrophobicContact CB-CB 3.69Å; C360-V372 VanDerWaalsContact SG-CG2 3.58Å; C360-H377 HydrophobicContact CB-CB 4.37Å; C360-H377 PolarHBondContact SG-CD2 2.85Å; C360-T404 PolarHBondContact SG-OG1 2.89Å
361	R	78.2	Confident	75.2	Confident	132 Å²	132	39.7 Å²	39.7	50%	0.498	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.4	165.3	-61.9	-177.8	175.2	-117.5	-12.7	109.2	D378 T380 E382	R361-D378 PolarHBondContact N-O 2.99Å; R361-T380 PolarHBondContact NE-OG1 3.11Å; R361-T380 PolarHBondContact NH2-OG1 3.22Å; R361-E382 IonicContact CZ-OE1 3.71Å; R361-E382 IonicContact NH2-OE1 2.67Å; R361-E382 PolarHBondContact NH2-OE1 2.82Å
362	G	67.5	Low	73.4	Confident	64 Å²	64	39.1 Å²	39.1	66%	0.66	21%	0.208	S	C	*	.	S	Bend	trans	109.7	-168.8	176.8	0	0	0	0	0	113.7	C364	G362-C364 PolarHBondContact O-N 3.17Å
363	N	64	Low	71.4	Confident	146 Å²	146	41 Å²	41	78%	0.781	23%	0.225	S	C	*	.	S	Bend	trans	-81.1	45.4	-178.4	-74.4	-4.6	0	0	0	112.1	C365	N363-C365 PolarHBondContact O-N 3.05Å
364	C	66.1	Low	69.7	Low	13 Å²	13	43.9 Å²	43.9	9%	0.088	24%	0.239	C	C	.	.			trans	-78.8	112.8	179	-72.7	0	0	0	0	110.3	S343 C360 G362 V372 H377	S343-C364 WeakPolarHBondContact CB-O 3.4Å; S343-C364 PolarHBondContact OG-O 3.31Å; C360-C364 HydrophobicContact CB-CB 3.69Å; G362-C364 PolarHBondContact O-N 3.17Å; C364-V372 HydrophobicContact CB-CG1 3.46Å; C364-V372 VanDerWaalsContact CB-CG1 3.46Å; C364-V372 WeakPolarHBondContact SG-CG1 3.35Å; C364-H377 WeakPolarHBondContact SG-CB 3.44Å
365	C	61.6	Low	68	Low	30 Å²	30	47 Å²	47	20%	0.203	26%	0.259	C	S	.	.			trans	-100.2	157.3	173	64.3	0	0	0	0	112.6	E308 N363 T367 V372 A373	E308-C365 HydrophobicContact CB-CB 4.15Å; E308-C365 HydrophobicContact CG-CB 4Å; N363-C365 PolarHBondContact O-N 3.05Å; C365-T367 PolarHBondContact O-N 3.09Å; C365-V372 WeakPolarHBondContact O-CA 3.47Å; C365-A373 PolarHBondContact O-N 3.1Å; C365-A373 WeakPolarHBondContact SG-CB 3.19Å
366	R	62.3	Low	66.6	Low	37 Å²	37	53.4 Å²	53.4	14%	0.14	29%	0.287	C	S	.	.			trans	-79.8	89.2	171.5	-76.3	-171.9	-173.2	173.3	9	108.9	D341 E602 H604	D341-R366 VanDerWaalsContact CG-NH2 3.26Å; D341-R366 IonicContact OD1-CZ 3.96Å; D341-R366 IonicContact OD1-NH1 3.1Å; D341-R366 IonicContact OD1-NH2 2.81Å; D341-R366 PolarHBondContact OD1-NH2 3.43Å; D341-R366 IonicContact OD2-CZ 3.52Å; D341-R366 IonicContact OD2-NH1 3.35Å; D341-R366 IonicContact OD2-NH2 3.61Å; D341-R366 PolarHBondContact OD2-NH2 2.8Å; R366-E602 WeakPolarHBondContact CB-OE2 3.3Å; R366-E602 PolarHBondContact NH1-O 2.97Å; R366-H604 PolarHBondContact NH2-NE2 2.95Å
367	T	50.7	Low	65.6	Low	46 Å²	46	54.3 Å²	54.3	28%	0.282	29%	0.291	S	S	.	.			trans	-74.7	125.8	175	34	0	0	0	0	110.5	C365 R369 L370 H371 A373	C365-T367 PolarHBondContact O-N 3.09Å; T367-R369 PolarHBondContact O-N 2.85Å; T367-R369 VanDerWaalsContact O-N 3.14Å; T367-L370 PolarHBondContact O-N 3.21Å; T367-L370 PolarHBondContact OG1-O 3.15Å; T367-H371 PolarHBondContact OG1-O 2.94Å; T367-A373 HydrophobicContact CG2-CB 3.64Å
368	V	49.5	Very low	65	Low	56 Å²	56	58.4 Å²	58.4	34%	0.339	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	120.2	175.9	-175.7	0	0	0	0	109.9	P573 E602	V368-P573 HydrophobicContact CB-CB 4.48Å; V368-P573 HydrophobicContact CG1-CB 4Å; V368-P573 HydrophobicContact CG1-CG 4.43Å; V368-E602 WeakPolarHBondContact CA-OE1 3.44Å
369	R	53.8	Low	64.8	Low	102 Å²	102	58.6 Å²	58.6	39%	0.385	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	55.3	-177.9	-61.1	-179.2	169.2	-167.8	-6.4	114.7	T367 D570 Y571 E602	T367-R369 PolarHBondContact O-N 2.85Å; T367-R369 VanDerWaalsContact O-N 3.14Å; R369-D570 WeakPolarHBondContact CG-OD2 3.41Å; R369-D570 IonicContact NE-OD2 2.8Å; R369-D570 PolarHBondContact NE-OD2 3.06Å; R369-Y571 PolarHBondContact NH2-O 3.17Å; R369-E602 PolarHBondContact N-OE1 3.43Å
370	L	50.3	Low	64.9	Low	71 Å²	71	58.9 Å²	58.9	37%	0.372	32%	0.316	S	S	.	.	S	Bend	trans	132.7	124.3	149.4	-69.4	159.2	0	0	0	109.3	T367 I476	T367-L370 PolarHBondContact O-N 3.21Å; T367-L370 PolarHBondContact OG1-O 3.15Å; L370-I476 HydrophobicContact CD1-CD1 4.43Å; L370-I476 HydrophobicContact CD1-CG2 4.37Å; L370-I476 HydrophobicContact CD2-CD1 3.29Å; L370-I476 HydrophobicContact CG-CD1 4.49Å
371	H	54.3	Low	65.3	Low	62 Å²	62	59.2 Å²	59.2	29%	0.287	32%	0.32	S	S	.	.	S	Bend	trans	48.4	114.7	144.5	-61.4	72	0	0	0	116.5	T367 A373 M405 Y457	T367-H371 PolarHBondContact OG1-O 2.94Å; H371-A373 PolarHBondContact O-N 2.92Å; H371-M405 HydrophobicContact CB-CE 4.2Å; H371-M405 WeakPolarHBondContact CD2-CE 3.41Å; H371-M405 VanDerWaalsContact NE2-CE 3.32Å; H371-M405 WeakPolarHBondContact NE2-CE 2.97Å; H371-Y457 AromaticContact CD2-CE1 3.88Å; H371-Y457 AromaticContact CE1-CD1 3.43Å; H371-Y457 VanDerWaalsContact CE1-CD1 3.43Å; H371-Y457 WeakPolarHBondContact CE1-CD1 3.37Å; H371-Y457 AromaticContact CE1-CE1 3.11Å; H371-Y457 WeakPolarHBondContact CE1-CE1 3.43Å; H371-Y457 AromaticContact NE2-CD1 3.26Å; H371-Y457 VanDerWaalsContact NE2-CD1 3.26Å; H371-Y457 WeakPolarHBondContact NE2-CD1 3.3Å; H371-Y457 AromaticContact NE2-CE1 3.01Å; H371-Y457 WeakPolarHBondContact NE2-CE1 3.26Å
372	V	53.3	Low	66.1	Low	12 Å²	12	56.2 Å²	56.2	7%	0.073	31%	0.311	C	S	.	.			trans	7.7	103.6	155.3	177.4	0	0	0	0	113.2	C360 C364 C365 E374 H377 M405	C360-V372 VanDerWaalsContact SG-CG2 3.58Å; C364-V372 HydrophobicContact CB-CG1 3.46Å; C364-V372 VanDerWaalsContact CB-CG1 3.46Å; C364-V372 WeakPolarHBondContact SG-CG1 3.35Å; C365-V372 WeakPolarHBondContact O-CA 3.47Å; V372-E374 PolarHBondContact O-N 2.79Å; V372-H377 HydrophobicContact CG1-CB 4.4Å; V372-H377 VanDerWaalsContact CG1-ND1 3.34Å; V372-H377 WeakPolarHBondContact CG1-ND1 3.22Å; V372-M405 HydrophobicContact CG2-SD 4.24Å
373	A	47.1	Very low	67.5	Low	44 Å²	44	53.3 Å²	53.3	36%	0.364	28%	0.28	S	S	.	.	S	Bend	trans	-54.8	-24.4	-167	0	0	0	0	0	115.7	C365 T367 H371	C365-A373 PolarHBondContact O-N 3.1Å; C365-A373 WeakPolarHBondContact SG-CB 3.19Å; T367-A373 HydrophobicContact CG2-CB 3.64Å; H371-A373 PolarHBondContact O-N 2.92Å
374	E	58.8	Low	68.9	Low	84 Å²	84	49.9 Å²	49.9	39%	0.393	26%	0.257	S	S	.	.			trans	-88.6	126	-177.3	-65.1	-161.7	148.5	0	0	112.2	V372 F376 H377	V372-E374 PolarHBondContact O-N 2.79Å; E374-F376 PolarHBondContact O-N 3.02Å; E374-H377 PolarHBondContact O-ND1 2.93Å; E374-H377 VanDerWaalsContact O-ND1 3.15Å
375	P	57.5	Low	70.3	Confident	64 Å²	64	49.8 Å²	49.8	42%	0.416	26%	0.256	S	S	.	.	S	Bend	trans	-60.8	-16.8	177.7	-20.3	29.7	0	0	0	114.6	G424	P375-G424 CarbonylContact C-O 3.59Å; P375-G424 CarbonylContact O-C 3.56Å
376	F	67.1	Low	71.7	Confident	140 Å²	140	49.6 Å²	49.6	61%	0.614	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	112.6	179.9	-67.8	-79.5	0	0	0	109.5	E374 G424 E425	E374-F376 PolarHBondContact O-N 3.02Å; F376-G424 VanDerWaalsContact CA-O 3.23Å; F376-G424 WeakPolarHBondContact CA-O 3.32Å; F376-E425 HydrophobicContact CD1-CG 4.37Å; F376-E425 HydrophobicContact CE1-CB 4.37Å; F376-E425 HydrophobicContact CE1-CG 3.71Å; F376-E425 HydrophobicContact CZ-CG 4.42Å
377	H	73.4	Confident	73.1	Confident	22 Å²	22	48.2 Å²	48.2	10%	0.102	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	142.5	172.7	57.2	-97.4	0	0	0	111.2	C360 C364 V372 E374 R423 G424	C360-H377 HydrophobicContact CB-CB 4.37Å; C360-H377 PolarHBondContact SG-CD2 2.85Å; C364-H377 WeakPolarHBondContact SG-CB 3.44Å; V372-H377 HydrophobicContact CG1-CB 4.4Å; V372-H377 VanDerWaalsContact CG1-ND1 3.34Å; V372-H377 WeakPolarHBondContact CG1-ND1 3.22Å; E374-H377 PolarHBondContact O-ND1 2.93Å; E374-H377 VanDerWaalsContact O-ND1 3.15Å; H377-R423 WeakPolarHBondContact O-CA 3.46Å; H377-G424 PolarHBondContact N-O 2.94Å; H377-G424 PolarHBondContact O-N 2.96Å
378	D	82.6	Confident	75	Confident	87 Å²	87	46 Å²	46	47%	0.465	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136	173.8	-78.2	-46	0	0	0	109.8	R361 R423	R361-D378 PolarHBondContact N-O 2.99Å; D378-R423 IonicContact OD1-NE 2.6Å; D378-R423 PolarHBondContact OD1-NE 2.86Å
379	A	88.4	Confident	76.9	Confident	8 Å²	8	45.1 Å²	45.1	7%	0.066	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	158	173.7	0	0	0	0	0	112	G359 P402 T404 T422	G359-A379 CarbonylContact O-C 3.55Å; G359-A379 WeakPolarHBondContact O-CA 3.32Å; A379-P402 HydrophobicContact CB-CB 4Å; A379-P402 WeakPolarHBondContact O-CB 3.41Å; A379-T404 HydrophobicContact CB-CG2 4.09Å; A379-T422 VanDerWaalsContact CB-O 3.23Å; A379-T422 WeakPolarHBondContact CB-O 3.38Å; A379-T422 PolarHBondContact N-O 2.93Å
380	T	91.2	Very high	78.4	Confident	6 Å²	6	43.7 Å²	43.7	4%	0.037	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-106	149.8	170.5	-165.2	0	0	0	0	111.7	G358 G359 R361 E382 P402 R403	G358-T380 VanDerWaalsContact C-CG2 3.4Å; G358-T380 WeakPolarHBondContact CA-O 3.45Å; G358-T380 WeakPolarHBondContact O-CG2 3.15Å; G359-T380 PolarHBondContact O-N 3.24Å; R361-T380 PolarHBondContact NE-OG1 3.11Å; R361-T380 PolarHBondContact NH2-OG1 3.22Å; T380-E382 HydrophobicContact CG2-CB 4.21Å; T380-E382 WeakPolarHBondContact OG1-CB 3.38Å; T380-E382 VanDerWaalsContact OG1-CG 3.32Å; T380-E382 WeakPolarHBondContact OG1-CG 3.44Å; T380-E382 PolarHBondContact OG1-N 2.85Å; T380-P402 VanDerWaalsContact C-CB 3.49Å; T380-P402 WeakPolarHBondContact O-CA 3.32Å; T380-R403 PolarHBondContact O-N 3.42Å
381	A	94.2	Very high	80.1	Confident	18 Å²	18	42.9 Å²	42.9	15%	0.149	23%	0.225	C	C	.	.			trans	-94.7	-3.1	170.7	0	0	0	0	0	112.2	D398 M399 P402	A381-D398 HydrophobicContact CB-CB 4.15Å; A381-D398 CarbonylContact O-C 3.42Å; A381-D398 WeakPolarHBondContact O-CA 3.42Å; A381-M399 HydrophobicContact CB-CB 4.34Å; A381-M399 PolarHBondContact O-N 2.65Å; A381-P402 HydrophobicContact CB-CB 4.1Å
382	E	94.9	Very high	81.7	Confident	69 Å²	69	42.6 Å²	42.6	32%	0.322	23%	0.228	S	C	.	.			trans	-63.4	144.9	-174.4	-71.6	168.1	-164.6	0	0	111.9	G358 R361 T380	G358-E382 PolarHBondContact N-O 3.09Å; R361-E382 IonicContact CZ-OE1 3.71Å; R361-E382 IonicContact NH2-OE1 2.67Å; R361-E382 PolarHBondContact NH2-OE1 2.82Å; T380-E382 HydrophobicContact CG2-CB 4.21Å; T380-E382 WeakPolarHBondContact OG1-CB 3.38Å; T380-E382 VanDerWaalsContact OG1-CG 3.32Å; T380-E382 WeakPolarHBondContact OG1-CG 3.44Å; T380-E382 PolarHBondContact OG1-N 2.85Å
383	V	95.7	Very high	83.5	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.4	178.8	-174.8	0	0	0	0	108.1	F355 V356 T357 A396 P397 M399 W445	F355-V383 HydrophobicContact CD1-CG1 4.48Å; V356-V383 CarbonylContact O-C 3.53Å; V356-V383 WeakPolarHBondContact O-CA 3.43Å; T357-V383 HydrophobicContact CG2-CG1 4.03Å; T357-V383 HydrophobicContact CG2-CG2 4.42Å; V383-A396 HydrophobicContact CB-CB 4.05Å; V383-A396 HydrophobicContact CG1-CB 3.85Å; V383-A396 PolarHBondContact O-N 2.98Å; V383-P397 WeakPolarHBondContact CG2-O 3.5Å; V383-M399 HydrophobicContact CG2-CG 3.81Å; V383-W445 HydrophobicContact CG2-CZ2 3.68Å
384	W	94.8	Very high	85.6	Confident	74 Å²	74	43.9 Å²	43.9	28%	0.28	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.9	-177.7	-67.7	93.8	0	0	0	110.2	P340 F355 V356 P395	P340-W384 HydrophobicContact CB-CG 4.23Å; P340-W384 HydrophobicContact CG-CB 4.12Å; P340-W384 HydrophobicContact CG-CD2 3.62Å; P340-W384 HydrophobicContact CG-CE3 4.1Å; P340-W384 HydrophobicContact CG-CG 3.6Å; F355-W384 CarbonylContact C-O 3.56Å; F355-W384 VanDerWaalsContact CA-O 3.3Å; F355-W384 WeakPolarHBondContact CA-O 3.44Å; V356-W384 HydrophobicContact CB-CB 4.38Å; V356-W384 PolarHBondContact N-O 2.98Å; V356-W384 PolarHBondContact O-N 2.96Å; W384-P395 HydrophobicContact CE3-CB 4.42Å; W384-P395 HydrophobicContact CZ3-CB 4.25Å
385	C	94.3	Very high	87.2	Confident	11 Å²	11	44.5 Å²	44.5	7%	0.074	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.4	177.4	175.2	0	0	0	0	109	K353 L354 F355 C393 T394 A396	K353-C385 VanDerWaalsContact CD-SG 3.5Å; L354-C385 CarbonylContact O-C 3.54Å; L354-C385 WeakPolarHBondContact O-CA 3.46Å; F355-C385 HydrophobicContact CD1-CB 3.98Å; F355-C385 HydrophobicContact CE1-CB 3.72Å; F355-C385 HydrophobicContact CZ-CB 4.42Å; C385-C393 WeakPolarHBondContact O-CA 3.36Å; C385-T394 PolarHBondContact N-O 3.09Å; C385-T394 PolarHBondContact O-N 3.09Å; C385-T394 PolarHBondContact O-OG1 2.88Å; C385-A396 HydrophobicContact CB-CB 4.49Å
386	Y	92.2	Very high	89	Confident	26 Å²	26	42 Å²	42	10%	0.102	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.1	172.6	177.7	-117.1	0	0	0	110.6	T339 L354 P388 T392 C393	T339-Y386 WeakPolarHBondContact OG1-CD1 3.49Å; T339-Y386 VanDerWaalsContact OG1-CG 3.29Å; L354-Y386 HydrophobicContact CB-CD1 4.44Å; L354-Y386 HydrophobicContact CD1-CD1 4.01Å; L354-Y386 PolarHBondContact N-O 2.91Å; L354-Y386 PolarHBondContact O-N 3.47Å; Y386-P388 HydrophobicContact CD1-CG 3.99Å; Y386-P388 HydrophobicContact CE1-CB 4.2Å; Y386-P388 HydrophobicContact CE1-CG 3.74Å; Y386-P388 WeakPolarHBondContact O-CD 3.29Å; Y386-T392 WeakPolarHBondContact CD2-O 3.35Å; Y386-C393 HydrophobicContact CD2-CB 4.21Å
387	C	91.6	Very high	90.4	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	102.6	176.1	-180	0	0	0	0	109	V389 T390 H391 T392	C387-V389 PolarHBondContact O-N 2.89Å; C387-T390 WeakPolarHBondContact CB-OG1 3.49Å; C387-T390 PolarHBondContact O-N 2.59Å; C387-T390 PolarHBondContact SG-OG1 2.99Å; C387-H391 WeakPolarHBondContact O-CA 3.4Å; C387-H391 PolarHBondContact O-N 3.31Å; C387-T392 PolarHBondContact N-O 3.18Å; C387-T392 PolarHBondContact O-N 2.93Å
388	P	90.1	Very high	91.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.6	179	-28	36.9	0	0	0	113.9	E352 L354 Y386 T390 H391 I608 F610 P616 W617	E352-P388 WeakPolarHBondContact O-CD 3.48Å; L354-P388 HydrophobicContact CD1-CG 4.29Å; Y386-P388 HydrophobicContact CD1-CG 3.99Å; Y386-P388 HydrophobicContact CE1-CB 4.2Å; Y386-P388 HydrophobicContact CE1-CG 3.74Å; Y386-P388 WeakPolarHBondContact O-CD 3.29Å; P388-T390 PolarHBondContact O-N 2.98Å; P388-H391 PolarHBondContact O-CE1 3.42Å; P388-H391 PolarHBondContact O-ND1 2.96Å; P388-I608 HydrophobicContact CG-CD1 4.05Å; P388-F610 HydrophobicContact CB-CE1 3.96Å; P388-F610 HydrophobicContact CB-CZ 3.74Å; P388-F610 HydrophobicContact CG-CE1 4.13Å; P388-F610 HydrophobicContact CG-CZ 3.86Å; P388-P616 HydrophobicContact CB-CG 3.93Å; P388-W617 HydrophobicContact CB-CH2 4.5Å; P388-W617 HydrophobicContact CB-CZ2 3.72Å; P388-W617 HydrophobicContact CG-CH2 4.45Å; P388-W617 HydrophobicContact CG-CZ2 4.03Å
389	V	88.8	Confident	92.1	Very high	37 Å²	37	37.7 Å²	37.7	22%	0.224	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-35.8	-179.1	-175.5	0	0	0	0	112.5	C387 F610 R614 P616	C387-V389 PolarHBondContact O-N 2.89Å; V389-F610 HydrophobicContact CG2-CD1 3.96Å; V389-F610 HydrophobicContact CG2-CE1 4.09Å; V389-R614 HydrophobicContact CG1-CB 4.47Å; V389-R614 WeakPolarHBondContact CG2-O 3.43Å; V389-P616 HydrophobicContact CG2-CG 4.37Å
390	T	86.9	Confident	92.3	Very high	72 Å²	72	40.2 Å²	40.2	44%	0.442	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-4.6	-178.3	52.8	0	0	0	0	112.8	C387 P388 T392	C387-T390 WeakPolarHBondContact CB-OG1 3.49Å; C387-T390 PolarHBondContact O-N 2.59Å; C387-T390 PolarHBondContact SG-OG1 2.99Å; P388-T390 PolarHBondContact O-N 2.98Å; T390-T392 PolarHBondContact O-N 3.49Å; T390-T392 PolarHBondContact OG1-OG1 3.34Å
391	H	85.6	Confident	92.3	Very high	54 Å²	54	43.3 Å²	43.3	25%	0.25	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	28.3	-172.3	-56.2	-71	0	0	0	114.1	F336 S337 C387 P388	F336-H391 HydrophobicContact CD1-CB 3.78Å; F336-H391 HydrophobicContact CE1-CB 3.82Å; F336-H391 AromaticContact CE1-CG 3.58Å; F336-H391 AromaticContact CE1-ND1 3.65Å; S337-H391 PolarHBondContact N-O 3.3Å; C387-H391 WeakPolarHBondContact O-CA 3.4Å; C387-H391 PolarHBondContact O-N 3.31Å; P388-H391 PolarHBondContact O-CE1 3.42Å; P388-H391 PolarHBondContact O-ND1 2.96Å
392	T	87.7	Confident	92.2	Very high	56 Å²	56	44.6 Å²	44.6	34%	0.344	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.1	-179.4	55.3	0	0	0	0	111.1	Y386 C387 T390	Y386-T392 WeakPolarHBondContact CD2-O 3.35Å; C387-T392 PolarHBondContact N-O 3.18Å; C387-T392 PolarHBondContact O-N 2.93Å; T390-T392 PolarHBondContact O-N 3.49Å; T390-T392 PolarHBondContact OG1-OG1 3.34Å
393	C	89.8	Confident	92	Very high	13 Å²	13	41.3 Å²	41.3	9%	0.088	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.4	168.6	-162.9	0	0	0	0	107.7	S337 P340 C385 Y386	S337-C393 VanDerWaalsContact OG-CB 3.28Å; S337-C393 WeakPolarHBondContact OG-CB 3.33Å; P340-C393 VanDerWaalsContact CD-SG 3.54Å; C385-C393 WeakPolarHBondContact O-CA 3.36Å; Y386-C393 HydrophobicContact CD2-CB 4.21Å
394	T	91.7	Very high	91.7	Very high	70 Å²	70	41.2 Å²	41.2	43%	0.429	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.4	-177.6	53.7	0	0	0	0	109.8	C385 A396	C385-T394 PolarHBondContact N-O 3.09Å; C385-T394 PolarHBondContact O-N 3.09Å; C385-T394 PolarHBondContact O-OG1 2.88Å; T394-A396 PolarHBondContact O-N 3.25Å
395	P	93.5	Very high	91.2	Very high	97 Å²	97	40 Å²	40	63%	0.63	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	136	174.2	28.2	-33.8	0	0	0	109.9	W384	W384-P395 HydrophobicContact CE3-CB 4.42Å; W384-P395 HydrophobicContact CZ3-CB 4.25Å
396	A	94.4	Very high	91.1	Very high	12 Å²	12	40 Å²	40	10%	0.099	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	167.3	167.9	0	0	0	0	0	109.3	V383 C385 T394 D398	V383-A396 HydrophobicContact CB-CB 4.05Å; V383-A396 HydrophobicContact CG1-CB 3.85Å; V383-A396 PolarHBondContact O-N 2.98Å; C385-A396 HydrophobicContact CB-CB 4.49Å; T394-A396 PolarHBondContact O-N 3.25Å; A396-D398 PolarHBondContact O-N 3.24Å
397	P	96.4	Very high	91.1	Very high	51 Å²	51	39.6 Å²	39.6	33%	0.331	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-53.5	135.6	175.5	-26.8	36.5	0	0	0	111.8	V383 Y438 K443 W445	V383-P397 WeakPolarHBondContact CG2-O 3.5Å; P397-Y438 HydrophobicContact CB-CE2 4.33Å; P397-Y438 WeakPolarHBondContact CD-OH 3.2Å; P397-Y438 HydrophobicContact CG-CE2 3.97Å; P397-K443 HydrophobicContact CG-CB 4.2Å; P397-K443 WeakPolarHBondContact CG-O 3.43Å; P397-W445 PolarHBondContact O-NE1 3.32Å
398	D	96.7	Very high	91.3	Very high	98 Å²	98	39.5 Å²	39.5	52%	0.524	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-63.8	147.4	178.2	-64.9	-18.6	0	0	0	111.4	A381 A396 W445	A381-D398 HydrophobicContact CB-CB 4.15Å; A381-D398 CarbonylContact O-C 3.42Å; A381-D398 WeakPolarHBondContact O-CA 3.42Å; A396-D398 PolarHBondContact O-N 3.24Å; D398-W445 PolarHBondContact O-NE1 2.95Å
399	M	95.9	Very high	91.6	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.039	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-59.4	153.7	170.1	-65.6	179.9	-65.8	0	0	110.9	A381 V383 K401 R403 V417 W445	A381-M399 HydrophobicContact CB-CB 4.34Å; A381-M399 PolarHBondContact O-N 2.65Å; V383-M399 HydrophobicContact CG2-CG 3.81Å; M399-K401 VanDerWaalsContact C-N 3.27Å; M399-K401 WeakPolarHBondContact CB-O 3.37Å; M399-K401 PolarHBondContact O-N 3.02Å; M399-R403 HydrophobicContact CE-CB 4.07Å; M399-R403 HydrophobicContact CE-CG 4.25Å; M399-R403 HydrophobicContact SD-CG 4.37Å; M399-V417 HydrophobicContact SD-CB 4.31Å; M399-V417 HydrophobicContact SD-CG1 4.05Å; M399-V417 HydrophobicContact SD-CG2 3.97Å; M399-W445 HydrophobicContact CG-CD2 4.4Å; M399-W445 HydrophobicContact CG-CH2 3.68Å; M399-W445 HydrophobicContact CG-CZ2 3.47Å; M399-W445 VanDerWaalsContact CG-CZ2 3.47Å; M399-W445 HydrophobicContact CG-CZ3 4.23Å; M399-W445 HydrophobicContact SD-CH2 4.31Å
400	G	93.3	Very high	91.9	Very high	61 Å²	61	40.5 Å²	40.5	63%	0.629	25%	0.247	S	C	*	.	S	Bend	trans	-64.7	-33	175.8	0	0	0	0	0	112.7	E436	G400-E436 WeakPolarHBondContact CA-OE2 3.44Å; G400-E436 PolarHBondContact N-OE2 2.58Å
401	K	90.9	Very high	92.3	Very high	71 Å²	71	37.6 Å²	37.6	31%	0.309	23%	0.229	S	C	.	.	S	Bend	trans	-122.9	141.7	171.2	-67.4	-165.9	177.6	-168.3	0	112.2	M399 L432 E434 E436	M399-K401 VanDerWaalsContact C-N 3.27Å; M399-K401 WeakPolarHBondContact CB-O 3.37Å; M399-K401 PolarHBondContact O-N 3.02Å; K401-L432 HydrophobicContact CD-CD2 3.79Å; K401-E434 HydrophobicContact CD-CG 4.43Å; K401-E434 IonicContact NZ-OE1 3.52Å; K401-E434 PolarHBondContact NZ-OE1 2.99Å; K401-E434 IonicContact NZ-OE2 2.67Å; K401-E434 PolarHBondContact NZ-OE2 2.82Å; K401-E436 PolarHBondContact N-OE1 3.39Å
402	P	91.9	Very high	92.6	Very high	46 Å²	46	38.9 Å²	38.9	30%	0.299	24%	0.238	S	C	.	.			trans	-68.2	137.9	171.7	28.5	-33.1	0	0	0	111.1	A379 T380 A381 T422	A379-P402 HydrophobicContact CB-CB 4Å; A379-P402 WeakPolarHBondContact O-CB 3.41Å; T380-P402 VanDerWaalsContact C-CB 3.49Å; T380-P402 WeakPolarHBondContact O-CA 3.32Å; A381-P402 HydrophobicContact CB-CB 4.1Å; P402-T422 HydrophobicContact CG-CG2 4.21Å; P402-T422 WeakPolarHBondContact O-CG2 3.41Å
403	R	90.9	Very high	92.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-136.2	141.6	-174.5	-57.8	-177.3	-177.8	-105.8	1.8	111.8	G358 G359 T380 M399 H406 G419 L432 E434 E436	G358-R403 CarbonylContact C-O 3.52Å; G358-R403 VanDerWaalsContact CA-O 3.3Å; G358-R403 WeakPolarHBondContact CA-O 3.3Å; G359-R403 PolarHBondContact N-O 3.42Å; T380-R403 PolarHBondContact O-N 3.42Å; M399-R403 HydrophobicContact CE-CB 4.07Å; M399-R403 HydrophobicContact CE-CG 4.25Å; M399-R403 HydrophobicContact SD-CG 4.37Å; R403-H406 HydrophobicContact CB-CB 4.13Å; R403-H406 WeakPolarHBondContact CB-ND1 3.34Å; R403-G419 PolarHBondContact NH1-O 3.32Å; R403-L432 HydrophobicContact CG-CD1 3.73Å; R403-E434 VanDerWaalsContact CZ-O 3.24Å; R403-E434 PolarHBondContact NH1-O 2.98Å; R403-E434 PolarHBondContact NH2-O 2.82Å; R403-E436 IonicContact CZ-OE1 3.76Å; R403-E436 IonicContact NE-OE1 3.84Å; R403-E436 IonicContact NH2-OE1 3.45Å; R403-E436 PolarHBondContact NH2-OE1 2.9Å
404	T	88.5	Confident	93.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	153.6	164.5	-171.8	0	0	0	0	109.7	G344 C360 A379 H406 G420 R421	G344-T404 PolarHBondContact O-OG1 2.98Å; C360-T404 PolarHBondContact SG-OG1 2.89Å; A379-T404 HydrophobicContact CB-CG2 4.09Å; T404-H406 PolarHBondContact O-N 2.98Å; T404-G420 CarbonylContact O-C 3.56Å; T404-G420 WeakPolarHBondContact O-CA 3.25Å; T404-R421 HydrophobicContact CG2-CG 3.75Å; T404-R421 PolarHBondContact N-O 2.84Å; T404-R421 PolarHBondContact O-N 2.63Å
405	M	85	Confident	93.4	Very high	48 Å²	48	40.3 Å²	40.3	24%	0.236	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.5	31.6	-175.4	-48.5	-56.2	-102	0	0	112.1	G344 H371 V372 G420 P458	G344-M405 WeakPolarHBondContact CA-SD 3.49Å; G344-M405 PolarHBondContact O-N 2.82Å; H371-M405 HydrophobicContact CB-CE 4.2Å; H371-M405 WeakPolarHBondContact CD2-CE 3.41Å; H371-M405 VanDerWaalsContact NE2-CE 3.32Å; H371-M405 WeakPolarHBondContact NE2-CE 2.97Å; V372-M405 HydrophobicContact CG2-SD 4.24Å; M405-G420 WeakPolarHBondContact O-CA 3.36Å; M405-P458 WeakPolarHBondContact O-CD 3.43Å
406	H	91.5	Very high	93.6	Very high	11 Å²	11	35.7 Å²	35.7	5%	0.051	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	171.1	170.6	63.9	-71.9	0	0	0	109.8	T357 R403 T404 L418	T357-H406 PolarHBondContact O-CE1 3.14Å; T357-H406 PolarHBondContact O-NE2 2.81Å; T357-H406 PolarHBondContact OG1-NE2 2.79Å; R403-H406 HydrophobicContact CB-CB 4.13Å; R403-H406 WeakPolarHBondContact CB-ND1 3.34Å; T404-H406 PolarHBondContact O-N 2.98Å; H406-L418 WeakPolarHBondContact CB-O 3.28Å
407	T	92.9	Very high	93.7	Very high	17 Å²	17	35.1 Å²	35.1	10%	0.104	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.4	170	-172.9	0	0	0	0	110.2	L418 P458 A460	T407-L418 HydrophobicContact CG2-CD1 3.32Å; T407-L418 HydrophobicContact CG2-CD2 4.35Å; T407-L418 HydrophobicContact CG2-CG 3.6Å; T407-L418 PolarHBondContact N-O 3.05Å; T407-L418 VanDerWaalsContact N-O 3.17Å; T407-L418 PolarHBondContact O-N 2.79Å; T407-L418 VanDerWaalsContact O-N 3.09Å; T407-P458 WeakPolarHBondContact CB-O 3.26Å; T407-P458 HydrophobicContact CG2-CB 3.95Å; T407-P458 HydrophobicContact CG2-CG 4.33Å; T407-A460 HydrophobicContact CG2-CB 3.6Å
408	A	95.5	Very high	93.6	Very high	7 Å²	7	32.8 Å²	32.8	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.6	176.2	0	0	0	0	0	109.9	S346 T348 Y416 V417	S346-A408 WeakPolarHBondContact OG-CB 3.29Å; S346-A408 PolarHBondContact OG-N 3.01Å; T348-A408 HydrophobicContact CG2-CB 4.2Å; A408-Y416 CarbonylContact C-O 3.55Å; A408-Y416 WeakPolarHBondContact CA-O 3.42Å; A408-V417 HydrophobicContact CB-CG1 4.18Å
409	I	95.7	Very high	93.4	Very high	26 Å²	26	28.1 Å²	28.1	13%	0.133	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.4	-177.4	-171	62.2	0	0	0	111.1	Y416 A462 I467	I409-Y416 PolarHBondContact N-O 3.4Å; I409-Y416 PolarHBondContact O-N 3.3Å; I409-A462 HydrophobicContact CD1-CB 4.19Å; I409-A462 HydrophobicContact CG1-CB 3.66Å; I409-I467 HydrophobicContact CG2-CD1 4.06Å; I409-I467 HydrophobicContact CG2-CG1 4.45Å; I409-I467 HydrophobicContact CG2-CG2 3.98Å
410	T	95.3	Very high	93	Very high	32 Å²	32	27.9 Å²	27.9	20%	0.196	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.1	178.1	-58.7	0	0	0	0	110.9	T348 S349 Y350 R414 L415	T348-T410 PolarHBondContact OG1-OG1 2.92Å; S349-T410 WeakPolarHBondContact O-CB 3.33Å; S349-T410 PolarHBondContact O-OG1 3.15Å; Y350-T410 HydrophobicContact CD2-CG2 3.9Å; Y350-T410 HydrophobicContact CG-CG2 4.47Å; T410-R414 VanDerWaalsContact CA-O 3.31Å; T410-R414 WeakPolarHBondContact CA-O 3.48Å; T410-L415 HydrophobicContact CG2-CD1 4.48Å
411	T	94.4	Very high	92.6	Very high	11 Å²	11	25.9 Å²	25.9	7%	0.067	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	150.8	167.6	-179.1	0	0	0	0	110.1	D413 R414 Y416 G464 I467 A492	T411-D413 PolarHBondContact O-N 3.36Å; T411-R414 PolarHBondContact N-O 2.64Å; T411-R414 PolarHBondContact O-N 3.24Å; T411-R414 VanDerWaalsContact O-O 3.08Å; T411-Y416 HydrophobicContact CG2-CD2 3.77Å; T411-Y416 HydrophobicContact CG2-CE2 3.52Å; T411-G464 PolarHBondContact OG1-O 2.7Å; T411-I467 HydrophobicContact CG2-CD1 3.7Å; T411-I467 HydrophobicContact CG2-CG1 3.68Å; T411-A492 HydrophobicContact CG2-CB 4.26Å
412	L	93	Very high	92.3	Very high	82 Å²	82	24.3 Å²	24.3	43%	0.429	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	46.3	-179.3	-57.3	-177.8	0	0	0	112.7	R414 A492 V493	L412-R414 WeakPolarHBondContact O-CG 3.31Å; L412-R414 PolarHBondContact O-N 2.65Å; L412-R414 VanDerWaalsContact O-N 3.15Å; L412-A492 HydrophobicContact CD1-CB 3.85Å; L412-V493 HydrophobicContact CD1-CG2 3.76Å
413	D	92.6	Very high	91.7	Very high	84 Å²	84	29 Å²	29	45%	0.449	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	22.2	179.8	-55.8	-34.8	0	0	0	115.7	P290 Y350 T411	P290-D413 WeakPolarHBondContact CB-OD1 3.44Å; Y350-D413 HydrophobicContact CE2-CB 3.71Å; Y350-D413 WeakPolarHBondContact CE2-OD1 3.34Å; T411-D413 PolarHBondContact O-N 3.36Å
414	R	95.6	Very high	90.5	Very high	82 Å²	82	29.2 Å²	29.2	31%	0.309	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.9	-178	-66.8	167.1	-178.1	-175	3.1	111	T410 T411 L412 Y416 Y437 Y438	T410-R414 VanDerWaalsContact CA-O 3.31Å; T410-R414 WeakPolarHBondContact CA-O 3.48Å; T411-R414 PolarHBondContact N-O 2.64Å; T411-R414 PolarHBondContact O-N 3.24Å; T411-R414 VanDerWaalsContact O-O 3.08Å; L412-R414 WeakPolarHBondContact O-CG 3.31Å; L412-R414 PolarHBondContact O-N 2.65Å; L412-R414 VanDerWaalsContact O-N 3.15Å; R414-Y416 HydrophobicContact CB-CD2 4.33Å; R414-Y416 HydrophobicContact CB-CE2 3.7Å; R414-Y437 HydrophobicContact CB-CD2 3.93Å; R414-Y437 HydrophobicContact CB-CG 4.19Å; R414-Y437 HydrophobicContact CG-CD2 3.75Å; R414-Y437 HydrophobicContact CG-CE2 4.04Å; R414-Y437 HydrophobicContact CG-CG 4.37Å; R414-Y437 PolarHBondContact NH1-OH 2.81Å; R414-Y438 WeakPolarHBondContact CA-O 3.5Å
415	L	97.1	Very high	89.4	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.2	178.4	-71	65.7	0	0	0	108.6	T348 Y350 F355 T410 Y437 Y438 P440	T348-L415 HydrophobicContact CG2-CB 4.32Å; T348-L415 HydrophobicContact CG2-CD2 3.6Å; T348-L415 HydrophobicContact CG2-CG 3.78Å; Y350-L415 HydrophobicContact CG-CD1 4.11Å; F355-L415 HydrophobicContact CB-CD2 3.51Å; F355-L415 HydrophobicContact CD1-CD2 3.91Å; F355-L415 HydrophobicContact CD2-CD2 3.49Å; F355-L415 VanDerWaalsContact CD2-CD2 3.49Å; F355-L415 HydrophobicContact CE1-CD2 4.49Å; F355-L415 HydrophobicContact CE2-CD2 4.13Å; F355-L415 HydrophobicContact CG-CD2 3.35Å; T410-L415 HydrophobicContact CG2-CD1 4.48Å; L415-Y437 CarbonylContact O-C 3.6Å; L415-Y437 WeakPolarHBondContact O-CA 3.47Å; L415-Y438 HydrophobicContact CD2-CD1 4.38Å; L415-Y438 PolarHBondContact N-O 2.72Å; L415-Y438 PolarHBondContact O-N 2.88Å; L415-P440 HydrophobicContact CD1-CG 3.35Å
416	Y	97.8	Very high	88	Confident	1 Å²	1	38.6 Å²	38.6	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.5	177.5	-69.3	-98.7	0	0	0	110.2	A408 I409 T411 R414 V435 E436 Y437 V448 I467 Y490	A408-Y416 CarbonylContact C-O 3.55Å; A408-Y416 WeakPolarHBondContact CA-O 3.42Å; I409-Y416 PolarHBondContact N-O 3.4Å; I409-Y416 PolarHBondContact O-N 3.3Å; T411-Y416 HydrophobicContact CG2-CD2 3.77Å; T411-Y416 HydrophobicContact CG2-CE2 3.52Å; R414-Y416 HydrophobicContact CB-CD2 4.33Å; R414-Y416 HydrophobicContact CB-CE2 3.7Å; Y416-V435 HydrophobicContact CD1-CG1 4.36Å; Y416-E436 CarbonylContact C-O 3.56Å; Y416-E436 WeakPolarHBondContact CA-O 3.11Å; Y416-Y437 AromaticContact CE1-CD1 3.82Å; Y416-Y437 HydrophobicContact CE1-CD1 3.82Å; Y416-Y437 HydrophobicContact CE1-CG 4.12Å; Y416-V448 HydrophobicContact CE1-CG2 4.44Å; Y416-I467 HydrophobicContact CD1-CD1 3.87Å; Y416-I467 HydrophobicContact CD2-CD1 3.64Å; Y416-I467 HydrophobicContact CE1-CD1 4.36Å; Y416-I467 HydrophobicContact CE2-CD1 4.14Å; Y416-I467 HydrophobicContact CG-CD1 3.5Å; Y416-I467 VanDerWaalsContact CG-CD1 3.5Å; Y416-Y490 HydrophobicContact CD1-CE1 4.27Å; Y416-Y490 AromaticContact CE1-CE1 3.74Å; Y416-Y490 HydrophobicContact CE1-CE1 3.74Å
417	V	96.7	Very high	86.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.9	168.8	-61.4	0	0	0	0	108.9	T357 M399 A408 E436 W445	T357-V417 HydrophobicContact CG2-CG1 4.11Å; M399-V417 HydrophobicContact SD-CB 4.31Å; M399-V417 HydrophobicContact SD-CG1 4.05Å; M399-V417 HydrophobicContact SD-CG2 3.97Å; A408-V417 HydrophobicContact CB-CG1 4.18Å; V417-E436 HydrophobicContact CG2-CB 3.98Å; V417-E436 PolarHBondContact N-O 2.96Å; V417-E436 PolarHBondContact O-N 2.88Å; V417-W445 HydrophobicContact CB-CZ3 4.46Å; V417-W445 HydrophobicContact CG1-CH2 3.76Å; V417-W445 HydrophobicContact CG1-CZ3 4.04Å; V417-W445 HydrophobicContact CG2-CH2 4.09Å; V417-W445 HydrophobicContact CG2-CZ3 3.63Å
418	L	95.1	Very high	84.4	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148.4	-174.6	63.9	92.8	0	0	0	112.2	H406 T407 V435 P458 A460 I467 T469	H406-L418 WeakPolarHBondContact CB-O 3.28Å; T407-L418 HydrophobicContact CG2-CD1 3.32Å; T407-L418 HydrophobicContact CG2-CD2 4.35Å; T407-L418 HydrophobicContact CG2-CG 3.6Å; T407-L418 PolarHBondContact N-O 3.05Å; T407-L418 VanDerWaalsContact N-O 3.17Å; T407-L418 PolarHBondContact O-N 2.79Å; T407-L418 VanDerWaalsContact O-N 3.09Å; L418-V435 HydrophobicContact CB-CG1 4.12Å; L418-V435 HydrophobicContact CB-CG2 3.9Å; L418-P458 HydrophobicContact CD1-CB 4.22Å; L418-A460 HydrophobicContact CD2-CB 4.36Å; L418-I467 HydrophobicContact CD2-CG2 4.07Å; L418-T469 HydrophobicContact CD1-CG2 3.4Å; L418-T469 VanDerWaalsContact CD1-CG2 3.4Å
419	G	90.8	Very high	82.7	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.5	-152.4	-176.3	0	0	0	0	0	113.5	R403	R403-G419 PolarHBondContact NH1-O 3.32Å
420	G	88	Confident	81.2	Confident	3 Å²	3	53.3 Å²	53.3	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.3	-167.3	-175.6	0	0	0	0	0	113.4	T404 M405 S431 L432	T404-G420 CarbonylContact O-C 3.56Å; T404-G420 WeakPolarHBondContact O-CA 3.25Å; M405-G420 WeakPolarHBondContact O-CA 3.36Å; G420-S431 CarbonylContact O-C 3.56Å; G420-S431 WeakPolarHBondContact O-CA 3.34Å; G420-L432 PolarHBondContact O-N 3.32Å
421	R	84.9	Confident	80.4	Confident	19 Å²	19	52 Å²	52	7%	0.072	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156.4	-177.6	62.8	-172.5	78.7	-175.1	6.1	111.5	T404 R423 E475	T404-R421 HydrophobicContact CG2-CG 3.75Å; T404-R421 PolarHBondContact N-O 2.84Å; T404-R421 PolarHBondContact O-N 2.63Å; R421-R423 VanDerWaalsContact CD-O 3.31Å; R421-R423 WeakPolarHBondContact CD-O 2.98Å; R421-E475 IonicContact CZ-OE1 3.91Å; R421-E475 IonicContact NH1-OE1 2.89Å; R421-E475 PolarHBondContact NH1-OE1 3.47Å; R421-E475 IonicContact NH1-OE2 3.24Å; R421-E475 IonicContact NH2-OE1 2.85Å; R421-E475 PolarHBondContact NH2-OE1 3.38Å
422	T	85.6	Confident	80.1	Confident	39 Å²	39	52.1 Å²	52.1	24%	0.239	27%	0.266	C	S	.	.	S	Bend	trans	-85	-24.4	176.2	52.6	0	0	0	0	112.8	A379 P402 L432	A379-T422 VanDerWaalsContact CB-O 3.23Å; A379-T422 WeakPolarHBondContact CB-O 3.38Å; A379-T422 PolarHBondContact N-O 2.93Å; P402-T422 HydrophobicContact CG-CG2 4.21Å; P402-T422 WeakPolarHBondContact O-CG2 3.41Å; T422-L432 HydrophobicContact CG2-CD1 3.93Å; T422-L432 HydrophobicContact CG2-CD2 3.88Å; T422-L432 HydrophobicContact CG2-CG 4.22Å
423	R	78	Confident	80.1	Confident	144 Å²	144	52.5 Å²	52.5	54%	0.543	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.2	-179.8	-71.1	-174.9	172.6	159.4	4.3	109.3	H377 D378 R421 E425 T429	H377-R423 WeakPolarHBondContact O-CA 3.46Å; D378-R423 IonicContact OD1-NE 2.6Å; D378-R423 PolarHBondContact OD1-NE 2.86Å; R421-R423 VanDerWaalsContact CD-O 3.31Å; R421-R423 WeakPolarHBondContact CD-O 2.98Å; R423-E425 PolarHBondContact O-N 3.45Å; R423-T429 HydrophobicContact CB-CG2 4.46Å
424	G	65.8	Low	80.2	Confident	5 Å²	5	51.6 Å²	51.6	5%	0.052	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	99	162.8	0	0	0	0	0	108	P375 F376 H377	P375-G424 CarbonylContact C-O 3.59Å; P375-G424 CarbonylContact O-C 3.56Å; F376-G424 VanDerWaalsContact CA-O 3.23Å; F376-G424 WeakPolarHBondContact CA-O 3.32Å; H377-G424 PolarHBondContact N-O 2.94Å; H377-G424 PolarHBondContact O-N 2.96Å
425	E	65.3	Low	80.2	Confident	82 Å²	82	47.7 Å²	47.7	38%	0.383	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.5	160.2	-174.8	171.5	-159.1	0	0	105	F376 R423 E427	F376-E425 HydrophobicContact CD1-CG 4.37Å; F376-E425 HydrophobicContact CE1-CB 4.37Å; F376-E425 HydrophobicContact CE1-CG 3.71Å; F376-E425 HydrophobicContact CZ-CG 4.42Å; R423-E425 PolarHBondContact O-N 3.45Å; E425-E427 WeakPolarHBondContact CG-O 2.91Å; E425-E427 PolarHBondContact O-N 3.12Å
426	R	56.4	Low	80.2	Confident	163 Å²	163	48.2 Å²	48.2	62%	0.615	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.9	-175.7	-74.5	-174.2	179	-157.6	-2.8	113.1	D478	R426-D478 IonicContact NH1-OD1 3.64Å; R426-D478 IonicContact NH1-OD2 3.35Å
427	E	53.9	Low	80.2	Confident	172 Å²	172	49.5 Å²	49.5	80%	0.804	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.4	113.8	173.8	-66	-175.7	163.4	0	0	109.4	E425	E425-E427 WeakPolarHBondContact CG-O 2.91Å; E425-E427 PolarHBondContact O-N 3.12Å
428	G	54.3	Low	80.2	Confident	72 Å²	72	50 Å²	50	74%	0.742	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.4	-13.3	161.8	0	0	0	0	0	118.1
429	T	59.6	Low	80.3	Confident	29 Å²	29	51.9 Å²	51.9	18%	0.178	27%	0.265	C	S	.	.			trans	-107	114.1	176.1	-51.6	0	0	0	0	110.9	R423	R423-T429 HydrophobicContact CB-CG2 4.46Å
430	P	64.9	Low	80.4	Confident	96 Å²	96	52 Å²	52	62%	0.623	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-67.1	146.7	178.3	27.8	-33.3	0	0	0	110.9
431	S	79.1	Confident	80.5	Confident	6 Å²	6	55.8 Å²	55.8	4%	0.042	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-58.5	144.9	171	-51.3	0	0	0	0	110.7	G420 M433 I455 Y456	G420-S431 CarbonylContact O-C 3.56Å; G420-S431 WeakPolarHBondContact O-CA 3.34Å; S431-M433 PolarHBondContact O-N 3.35Å; S431-I455 WeakPolarHBondContact CB-O 3.35Å; S431-I455 PolarHBondContact OG-O 3.36Å; S431-Y456 WeakPolarHBondContact OG-CD1 3.3Å; S431-Y456 WeakPolarHBondContact OG-CE1 3.37Å; S431-Y456 VanDerWaalsContact OG-CZ 3.3Å
432	L	87.3	Confident	80.9	Confident	12 Å²	12	57.4 Å²	57.4	6%	0.063	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-67.9	128.2	-179.2	-72.1	170.3	0	0	0	110.4	K401 R403 G420 T422 E434	K401-L432 HydrophobicContact CD-CD2 3.79Å; R403-L432 HydrophobicContact CG-CD1 3.73Å; G420-L432 PolarHBondContact O-N 3.32Å; T422-L432 HydrophobicContact CG2-CD1 3.93Å; T422-L432 HydrophobicContact CG2-CD2 3.88Å; T422-L432 HydrophobicContact CG2-CG 4.22Å; L432-E434 VanDerWaalsContact CD2-OE2 3.31Å; L432-E434 WeakPolarHBondContact CD2-OE2 3.41Å
433	M	92.6	Very high	81.3	Confident	90 Å²	90	62 Å²	62	44%	0.443	32%	0.319	S	S	.	.			trans	-91.8	-21.8	171.1	-63	-174.8	-61.8	0	0	111.6	S431 V435 P450 L451 A454	S431-M433 PolarHBondContact O-N 3.35Å; M433-V435 PolarHBondContact O-N 3.17Å; M433-P450 HydrophobicContact CB-CB 4.33Å; M433-P450 CarbonylContact O-C 3.57Å; M433-P450 WeakPolarHBondContact O-CA 3.47Å; M433-P450 VanDerWaalsContact O-CB 3.29Å; M433-P450 WeakPolarHBondContact O-CB 3.31Å; M433-L451 HydrophobicContact CB-CB 4.38Å; M433-L451 PolarHBondContact O-N 3.32Å; M433-A454 HydrophobicContact CG-CB 4.32Å
434	E	94.6	Very high	82.2	Confident	65 Å²	65	58.4 Å²	58.4	30%	0.304	31%	0.313	S	S	.	.			trans	-63.9	136.5	179.7	-63.8	85.1	176.9	0	0	110.8	K401 R403 L432	K401-E434 HydrophobicContact CD-CG 4.43Å; K401-E434 IonicContact NZ-OE1 3.52Å; K401-E434 PolarHBondContact NZ-OE1 2.99Å; K401-E434 IonicContact NZ-OE2 2.67Å; K401-E434 PolarHBondContact NZ-OE2 2.82Å; R403-E434 VanDerWaalsContact CZ-O 3.24Å; R403-E434 PolarHBondContact NH1-O 2.98Å; R403-E434 PolarHBondContact NH2-O 2.82Å; L432-E434 VanDerWaalsContact CD2-OE2 3.31Å; L432-E434 WeakPolarHBondContact CD2-OE2 3.41Å
435	V	96.7	Very high	83.7	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.3	174.4	-179.6	0	0	0	0	107.5	Y416 L418 M433 V448 L451 W497	Y416-V435 HydrophobicContact CD1-CG1 4.36Å; L418-V435 HydrophobicContact CB-CG1 4.12Å; L418-V435 HydrophobicContact CB-CG2 3.9Å; M433-V435 PolarHBondContact O-N 3.17Å; V435-V448 HydrophobicContact CB-CG2 3.81Å; V435-V448 HydrophobicContact CG1-CG2 3.58Å; V435-V448 WeakPolarHBondContact O-CG2 3.45Å; V435-V448 PolarHBondContact O-N 2.89Å; V435-L451 HydrophobicContact CG2-CD1 4.47Å; V435-L451 HydrophobicContact CG2-CD2 4.38Å; V435-L451 HydrophobicContact CG2-CG 3.8Å; V435-W497 HydrophobicContact CG2-CZ2 4.02Å
436	E	97	Very high	85.2	Confident	13 Å²	13	58.7 Å²	58.7	6%	0.061	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.1	-178.5	-59.1	170.4	-106.1	0	0	108	G400 K401 R403 Y416 V417 W445 T446	G400-E436 WeakPolarHBondContact CA-OE2 3.44Å; G400-E436 PolarHBondContact N-OE2 2.58Å; K401-E436 PolarHBondContact N-OE1 3.39Å; R403-E436 IonicContact CZ-OE1 3.76Å; R403-E436 IonicContact NE-OE1 3.84Å; R403-E436 IonicContact NH2-OE1 3.45Å; R403-E436 PolarHBondContact NH2-OE1 2.9Å; Y416-E436 CarbonylContact C-O 3.56Å; Y416-E436 WeakPolarHBondContact CA-O 3.11Å; V417-E436 HydrophobicContact CG2-CB 3.98Å; V417-E436 PolarHBondContact N-O 2.96Å; V417-E436 PolarHBondContact O-N 2.88Å; E436-W445 HydrophobicContact CB-CE3 3.83Å; E436-W445 HydrophobicContact CB-CZ3 4.19Å; E436-T446 CarbonylContact C-O 3.44Å; E436-T446 VanDerWaalsContact CA-O 3.3Å; E436-T446 WeakPolarHBondContact CA-O 3.28Å
437	Y	97.6	Very high	87.2	Confident	28 Å²	28	54.9 Å²	54.9	11%	0.11	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.8	164.9	74.2	-103.8	0	0	0	111.5	R414 L415 Y416 D439 W445 T446 V448	R414-Y437 HydrophobicContact CB-CD2 3.93Å; R414-Y437 HydrophobicContact CB-CG 4.19Å; R414-Y437 HydrophobicContact CG-CD2 3.75Å; R414-Y437 HydrophobicContact CG-CE2 4.04Å; R414-Y437 HydrophobicContact CG-CG 4.37Å; R414-Y437 PolarHBondContact NH1-OH 2.81Å; L415-Y437 CarbonylContact O-C 3.6Å; L415-Y437 WeakPolarHBondContact O-CA 3.47Å; Y416-Y437 AromaticContact CE1-CD1 3.82Å; Y416-Y437 HydrophobicContact CE1-CD1 3.82Å; Y416-Y437 HydrophobicContact CE1-CG 4.12Å; Y437-D439 HydrophobicContact CE2-CB 4.44Å; Y437-W445 CarbonylContact O-C 3.56Å; Y437-W445 WeakPolarHBondContact O-CA 3.45Å; Y437-T446 HydrophobicContact CE1-CG2 3.89Å; Y437-T446 VanDerWaalsContact CZ-CB 3.42Å; Y437-T446 PolarHBondContact N-O 3.2Å; Y437-T446 PolarHBondContact O-N 2.98Å; Y437-V448 HydrophobicContact CD1-CG1 3.42Å; Y437-V448 VanDerWaalsContact CD1-CG1 3.42Å; Y437-V448 HydrophobicContact CE1-CG1 3.48Å; Y437-V448 VanDerWaalsContact CE1-CG1 3.48Å
438	Y	97.8	Very high	89.3	Confident	10 Å²	10	47.5 Å²	47.5	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.6	170	179.1	-117.5	0	0	0	109.8	F355 P397 R414 L415 P440 W445	F355-Y438 HydrophobicContact CD1-CE1 4.43Å; F355-Y438 HydrophobicContact CE1-CD1 4.46Å; F355-Y438 AromaticContact CE1-CE1 3.86Å; F355-Y438 HydrophobicContact CE1-CE1 3.86Å; F355-Y438 HydrophobicContact CZ-CE1 4.5Å; P397-Y438 HydrophobicContact CB-CE2 4.33Å; P397-Y438 WeakPolarHBondContact CD-OH 3.2Å; P397-Y438 HydrophobicContact CG-CE2 3.97Å; R414-Y438 WeakPolarHBondContact CA-O 3.5Å; L415-Y438 HydrophobicContact CD2-CD1 4.38Å; L415-Y438 PolarHBondContact N-O 2.72Å; L415-Y438 PolarHBondContact O-N 2.88Å; Y438-P440 HydrophobicContact CD1-CB 4.41Å; Y438-P440 HydrophobicContact CD1-CG 3.91Å; Y438-P440 HydrophobicContact CE1-CB 3.96Å; Y438-P440 HydrophobicContact CE1-CG 3.96Å; Y438-P440 WeakPolarHBondContact O-CD 3.3Å; Y438-W445 AromaticContact CD2-CD1 3.91Å; Y438-W445 HydrophobicContact CD2-CD2 4.13Å; Y438-W445 AromaticContact CD2-CE2 3.79Å; Y438-W445 HydrophobicContact CD2-CG 4.19Å; Y438-W445 HydrophobicContact CD2-CZ2 4.29Å; Y438-W445 AromaticContact CD2-NE1 3.64Å; Y438-W445 HydrophobicContact CG-CD2 4.37Å; Y438-W445 AromaticContact CG-CE2 3.97Å; Y438-W445 HydrophobicContact CG-CH2 4.49Å; Y438-W445 HydrophobicContact CG-CZ2 4.02Å
439	D	95.6	Very high	91.3	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.214	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.2	167.1	-179.1	-28	0	0	0	108.4	Y437 L441 A442 K443 T444	Y437-D439 HydrophobicContact CE2-CB 4.44Å; D439-L441 PolarHBondContact O-N 3.14Å; D439-L441 WeakPolarHBondContact OD1-CA 3.33Å; D439-L441 WeakPolarHBondContact OD1-CB 3.44Å; D439-L441 PolarHBondContact OD1-N 2.82Å; D439-A442 HydrophobicContact CB-CB 3.97Å; D439-A442 PolarHBondContact OD1-N 3.32Å; D439-K443 VanDerWaalsContact O-CA 3.24Å; D439-K443 WeakPolarHBondContact O-CA 3.4Å; D439-K443 PolarHBondContact O-N 3.35Å; D439-T444 PolarHBondContact N-O 3Å; D439-T444 PolarHBondContact O-N 3.38Å
440	P	93.1	Very high	93.1	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.013	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.2	-178.4	-24.1	38	0	0	0	114.3	L288 Y350 F355 L415 Y438	L288-P440 HydrophobicContact CD1-CB 3.94Å; L288-P440 WeakPolarHBondContact CD1-O 3.34Å; L288-P440 HydrophobicContact CD2-CB 4.28Å; Y350-P440 HydrophobicContact CD1-CB 3.77Å; Y350-P440 HydrophobicContact CD1-CG 3.49Å; Y350-P440 VanDerWaalsContact CD1-CG 3.49Å; Y350-P440 HydrophobicContact CE1-CB 3.82Å; Y350-P440 HydrophobicContact CE1-CG 3.78Å; Y350-P440 HydrophobicContact CG-CG 4.21Å; F355-P440 HydrophobicContact CZ-CB 4.16Å; F355-P440 HydrophobicContact CZ-CG 4.36Å; L415-P440 HydrophobicContact CD1-CG 3.35Å; Y438-P440 HydrophobicContact CD1-CB 4.41Å; Y438-P440 HydrophobicContact CD1-CG 3.91Å; Y438-P440 HydrophobicContact CE1-CB 3.96Å; Y438-P440 HydrophobicContact CE1-CG 3.96Å; Y438-P440 WeakPolarHBondContact O-CD 3.3Å
441	L	90.9	Very high	94.5	Very high	83 Å²	83	43.2 Å²	43.2	44%	0.435	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-48.4	179.6	-57.5	-174.2	0	0	0	110.5	L285 L288 D439 K443	L285-L441 HydrophobicContact CD2-CD1 4.42Å; L285-L441 HydrophobicContact CD2-CD2 3.39Å; L285-L441 HydrophobicContact CD2-CG 4.48Å; L288-L441 HydrophobicContact CB-CD2 3.71Å; L288-L441 HydrophobicContact CD1-CD2 4.06Å; D439-L441 PolarHBondContact O-N 3.14Å; D439-L441 WeakPolarHBondContact OD1-CA 3.33Å; D439-L441 WeakPolarHBondContact OD1-CB 3.44Å; D439-L441 PolarHBondContact OD1-N 2.82Å; L441-K443 VanDerWaalsContact C-N 3.29Å
442	A	92.9	Very high	95.1	Very high	54 Å²	54	45.7 Å²	45.7	45%	0.446	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.3	176	0	0	0	0	0	112.7	D439 T444	D439-A442 HydrophobicContact CB-CB 3.97Å; D439-A442 PolarHBondContact OD1-N 3.32Å; A442-T444 VanDerWaalsContact C-N 3.34Å; A442-T444 WeakPolarHBondContact CB-OG1 3.42Å
443	K	93.8	Very high	95.2	Very high	136 Å²	136	47.9 Å²	47.9	59%	0.591	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	46	-174.1	-55	-179.1	-177.9	-179.6	0	112.1	P397 D439 L441	P397-K443 HydrophobicContact CG-CB 4.2Å; P397-K443 WeakPolarHBondContact CG-O 3.43Å; D439-K443 VanDerWaalsContact O-CA 3.24Å; D439-K443 WeakPolarHBondContact O-CA 3.4Å; D439-K443 PolarHBondContact O-N 3.35Å; L441-K443 VanDerWaalsContact C-N 3.29Å
444	T	96.6	Very high	94.9	Very high	68 Å²	68	44.8 Å²	44.8	42%	0.417	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141	-177.5	52.5	0	0	0	0	111.2	D439 A442	D439-T444 PolarHBondContact N-O 3Å; D439-T444 PolarHBondContact O-N 3.38Å; A442-T444 VanDerWaalsContact C-N 3.34Å; A442-T444 WeakPolarHBondContact CB-OG1 3.42Å
445	W	97.9	Very high	94.5	Very high	43 Å²	43	41.7 Å²	41.7	16%	0.163	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.2	168.3	-73.4	96.1	0	0	0	110.7	V383 P397 D398 M399 V417 E436 Y437 Y438	V383-W445 HydrophobicContact CG2-CZ2 3.68Å; P397-W445 PolarHBondContact O-NE1 3.32Å; D398-W445 PolarHBondContact O-NE1 2.95Å; M399-W445 HydrophobicContact CG-CD2 4.4Å; M399-W445 HydrophobicContact CG-CH2 3.68Å; M399-W445 HydrophobicContact CG-CZ2 3.47Å; M399-W445 VanDerWaalsContact CG-CZ2 3.47Å; M399-W445 HydrophobicContact CG-CZ3 4.23Å; M399-W445 HydrophobicContact SD-CH2 4.31Å; V417-W445 HydrophobicContact CB-CZ3 4.46Å; V417-W445 HydrophobicContact CG1-CH2 3.76Å; V417-W445 HydrophobicContact CG1-CZ3 4.04Å; V417-W445 HydrophobicContact CG2-CH2 4.09Å; V417-W445 HydrophobicContact CG2-CZ3 3.63Å; E436-W445 HydrophobicContact CB-CE3 3.83Å; E436-W445 HydrophobicContact CB-CZ3 4.19Å; Y437-W445 CarbonylContact O-C 3.56Å; Y437-W445 WeakPolarHBondContact O-CA 3.45Å; Y438-W445 AromaticContact CD2-CD1 3.91Å; Y438-W445 HydrophobicContact CD2-CD2 4.13Å; Y438-W445 AromaticContact CD2-CE2 3.79Å; Y438-W445 HydrophobicContact CD2-CG 4.19Å; Y438-W445 HydrophobicContact CD2-CZ2 4.29Å; Y438-W445 AromaticContact CD2-NE1 3.64Å; Y438-W445 HydrophobicContact CG-CD2 4.37Å; Y438-W445 AromaticContact CG-CE2 3.97Å; Y438-W445 HydrophobicContact CG-CH2 4.49Å; Y438-W445 HydrophobicContact CG-CZ2 4.02Å
446	T	97.7	Very high	93.8	Very high	50 Å²	50	43.4 Å²	43.4	31%	0.307	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.4	176.1	-55.1	0	0	0	0	109.4	E436 Y437	E436-T446 CarbonylContact C-O 3.44Å; E436-T446 VanDerWaalsContact CA-O 3.3Å; E436-T446 WeakPolarHBondContact CA-O 3.28Å; Y437-T446 HydrophobicContact CE1-CG2 3.89Å; Y437-T446 VanDerWaalsContact CZ-CB 3.42Å; Y437-T446 PolarHBondContact N-O 3.2Å; Y437-T446 PolarHBondContact O-N 2.98Å
447	S	97.3	Very high	93.1	Very high	83 Å²	83	44.1 Å²	44.1	58%	0.58	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.9	171.1	-170.2	0	0	0	0	109.7
448	V	97.7	Very high	92.8	Very high	17 Å²	17	43.4 Å²	43.4	10%	0.103	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-173.9	174.5	-65.9	0	0	0	0	110.3	Y416 V435 Y437 Y490	Y416-V448 HydrophobicContact CE1-CG2 4.44Å; V435-V448 HydrophobicContact CB-CG2 3.81Å; V435-V448 HydrophobicContact CG1-CG2 3.58Å; V435-V448 WeakPolarHBondContact O-CG2 3.45Å; V435-V448 PolarHBondContact O-N 2.89Å; Y437-V448 HydrophobicContact CD1-CG1 3.42Å; Y437-V448 VanDerWaalsContact CD1-CG1 3.42Å; Y437-V448 HydrophobicContact CE1-CG1 3.48Å; Y437-V448 VanDerWaalsContact CE1-CG1 3.48Å; V448-Y490 WeakPolarHBondContact CB-OH 3.49Å
449	S	97.4	Very high	92.4	Very high	28 Å²	28	44.5 Å²	44.5	20%	0.196	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-53.5	128	177.6	-65.9	0	0	0	0	111	D495 W497	S449-D495 WeakPolarHBondContact CA-OD1 3.32Å; S449-D495 WeakPolarHBondContact CB-OD1 3.3Å; S449-D495 PolarHBondContact N-OD1 2.91Å; S449-D495 VanDerWaalsContact OG-CG 3.27Å; S449-D495 PolarHBondContact OG-O 3.02Å; S449-D495 PolarHBondContact OG-OD1 2.76Å; S449-D495 PolarHBondContact OG-OD2 2.65Å; S449-W497 PolarHBondContact O-NE1 2.9Å
450	P	96.5	Very high	92.3	Very high	76 Å²	76	43.1 Å²	43.1	49%	0.494	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-70	158.1	180	30.7	-35.6	0	0	0	111	M433 W497	M433-P450 HydrophobicContact CB-CB 4.33Å; M433-P450 CarbonylContact O-C 3.57Å; M433-P450 WeakPolarHBondContact O-CA 3.47Å; M433-P450 VanDerWaalsContact O-CB 3.29Å; M433-P450 WeakPolarHBondContact O-CB 3.31Å; P450-W497 PolarHBondContact O-NE1 3.2Å
451	L	94.4	Very high	92.4	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-53.3	133.9	170	-69.1	166.7	0	0	0	109.9	M433 V435 T453 I455 L488 W497	M433-L451 HydrophobicContact CB-CB 4.38Å; M433-L451 PolarHBondContact O-N 3.32Å; V435-L451 HydrophobicContact CG2-CD1 4.47Å; V435-L451 HydrophobicContact CG2-CD2 4.38Å; V435-L451 HydrophobicContact CG2-CG 3.8Å; L451-T453 WeakPolarHBondContact CB-O 3.18Å; L451-T453 PolarHBondContact O-N 2.92Å; L451-I455 HydrophobicContact CD2-CD1 4.26Å; L451-L488 HydrophobicContact CD2-CD1 3.71Å; L451-W497 HydrophobicContact CD2-CE3 4.39Å; L451-W497 HydrophobicContact CD2-CH2 3.35Å; L451-W497 HydrophobicContact CD2-CZ2 3.59Å; L451-W497 HydrophobicContact CD2-CZ3 3.78Å; L451-W497 HydrophobicContact CG-CZ2 4.36Å
452	P	92.7	Very high	92.5	Very high	58 Å²	58	40.1 Å²	40.1	38%	0.377	24%	0.238	S	C	.	.	S	Bend	trans	-57.3	-31.7	174.3	-27.1	34.7	0	0	0	113.9	L488 W497 H499	P452-L488 HydrophobicContact CG-CD1 4.5Å; P452-L488 HydrophobicContact CG-CD2 4.35Å; P452-W497 HydrophobicContact CG-CB 3.53Å; P452-W497 HydrophobicContact CG-CD2 4.45Å; P452-W497 HydrophobicContact CG-CG 3.94Å; P452-H499 WeakPolarHBondContact CB-NE2 3.45Å
453	T	88.7	Confident	92.5	Very high	58 Å²	58	38 Å²	38	36%	0.356	22%	0.22	S	C	.	.	S	Bend	trans	-141.6	147.1	179.6	-52.1	0	0	0	0	109.2	L451	L451-T453 WeakPolarHBondContact CB-O 3.18Å; L451-T453 PolarHBondContact O-N 2.92Å
454	A	86.1	Confident	92.3	Very high	24 Å²	24	33.7 Å²	33.7	20%	0.198	21%	0.214	C	C	.	.			trans	-59.3	134.2	170.1	0	0	0	0	0	111.2	M433	M433-A454 HydrophobicContact CG-CB 4.32Å
455	I	86.6	Confident	92.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	21%	0.207	C	C	.	.			trans	-120.4	131.1	-179	-62.7	-178.8	0	0	0	110.2	S431 L451 P458 T469 C486 L488	S431-I455 WeakPolarHBondContact CB-O 3.35Å; S431-I455 PolarHBondContact OG-O 3.36Å; L451-I455 HydrophobicContact CD2-CD1 4.26Å; I455-P458 HydrophobicContact CG2-CB 4.09Å; I455-T469 HydrophobicContact CD1-CG2 3.84Å; I455-C486 HydrophobicContact CD1-CB 3.99Å; I455-C486 HydrophobicContact CG1-CB 3.98Å; I455-L488 HydrophobicContact CD1-CD1 3.48Å; I455-L488 VanDerWaalsContact CD1-CD1 3.48Å; I455-L488 HydrophobicContact CD1-CG 4.1Å; I455-L488 HydrophobicContact CG1-CD1 4.49Å
456	Y	82.6	Confident	92	Very high	36 Å²	36	31 Å²	31	14%	0.141	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	145	167.4	-65.3	-87.6	0	0	0	110.3	S431 G471 S472 E475	S431-Y456 WeakPolarHBondContact OG-CD1 3.3Å; S431-Y456 WeakPolarHBondContact OG-CE1 3.37Å; S431-Y456 VanDerWaalsContact OG-CZ 3.3Å; Y456-G471 WeakPolarHBondContact O-CA 3.28Å; Y456-S472 PolarHBondContact N-O 3.45Å; Y456-S472 PolarHBondContact O-N 2.67Å; Y456-E475 HydrophobicContact CD1-CB 3.77Å; Y456-E475 HydrophobicContact CD1-CG 3.91Å; Y456-E475 HydrophobicContact CD2-CB 4.44Å; Y456-E475 HydrophobicContact CE1-CB 3.66Å; Y456-E475 HydrophobicContact CE1-CG 3.95Å; Y456-E475 WeakPolarHBondContact CE1-OE2 3.39Å; Y456-E475 HydrophobicContact CE2-CB 4.36Å; Y456-E475 HydrophobicContact CG-CB 4.16Å
457	Y	82.4	Confident	91.9	Very high	29 Å²	29	28.7 Å²	28.7	11%	0.114	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.1	54.9	-177.2	-38.7	-62.5	0	0	0	111.9	H371 E459 E475 I476 P482 T511	H371-Y457 AromaticContact CD2-CE1 3.88Å; H371-Y457 AromaticContact CE1-CD1 3.43Å; H371-Y457 VanDerWaalsContact CE1-CD1 3.43Å; H371-Y457 WeakPolarHBondContact CE1-CD1 3.37Å; H371-Y457 AromaticContact CE1-CE1 3.11Å; H371-Y457 WeakPolarHBondContact CE1-CE1 3.43Å; H371-Y457 AromaticContact NE2-CD1 3.26Å; H371-Y457 VanDerWaalsContact NE2-CD1 3.26Å; H371-Y457 WeakPolarHBondContact NE2-CD1 3.3Å; H371-Y457 AromaticContact NE2-CE1 3.01Å; H371-Y457 WeakPolarHBondContact NE2-CE1 3.26Å; Y457-E459 PolarHBondContact O-N 2.94Å; Y457-E475 WeakPolarHBondContact OH-CG 3.36Å; Y457-I476 HydrophobicContact CE1-CD1 4.1Å; Y457-I476 HydrophobicContact CE2-CB 4.47Å; Y457-I476 HydrophobicContact CE2-CD1 3.81Å; Y457-I476 HydrophobicContact CE2-CG1 3.68Å; Y457-I476 WeakPolarHBondContact OH-CB 3.22Å; Y457-I476 WeakPolarHBondContact OH-CD1 3.01Å; Y457-I476 VanDerWaalsContact OH-CG1 3.26Å; Y457-I476 WeakPolarHBondContact OH-CG1 3.46Å; Y457-I476 PolarHBondContact OH-N 2.85Å; Y457-P482 HydrophobicContact CD2-CG 4.02Å; Y457-P482 HydrophobicContact CE2-CG 3.74Å; Y457-T511 HydrophobicContact CD1-CG2 4.03Å; Y457-T511 HydrophobicContact CD2-CG2 4.01Å; Y457-T511 HydrophobicContact CE2-CG2 4.47Å; Y457-T511 HydrophobicContact CG-CG2 3.75Å
458	P	89.2	Confident	91.7	Very high	12 Å²	12	24.9 Å²	24.9	8%	0.078	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	121.6	-175.4	29.9	-35	0	0	0	110.1	M405 T407 L418 I455 L470	M405-P458 WeakPolarHBondContact O-CD 3.43Å; T407-P458 WeakPolarHBondContact CB-O 3.26Å; T407-P458 HydrophobicContact CG2-CB 3.95Å; T407-P458 HydrophobicContact CG2-CG 4.33Å; L418-P458 HydrophobicContact CD1-CB 4.22Å; I455-P458 HydrophobicContact CG2-CB 4.09Å; P458-L470 CarbonylContact C-O 3.53Å; P458-L470 WeakPolarHBondContact CA-O 3.11Å
459	E	90.7	Very high	91.5	Very high	34 Å²	34	24.1 Å²	24.1	16%	0.159	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.2	166.9	-177.3	72.4	-179.2	0	0	107.5	Y457 T469 L470 K514 A515	Y457-E459 PolarHBondContact O-N 2.94Å; E459-T469 CarbonylContact O-C 3.45Å; E459-T469 WeakPolarHBondContact O-CA 3.3Å; E459-L470 HydrophobicContact CB-CB 4.36Å; E459-L470 PolarHBondContact N-O 2.81Å; E459-L470 PolarHBondContact O-N 2.85Å; E459-K514 WeakPolarHBondContact OE1-CA 3.36Å; E459-K514 WeakPolarHBondContact OE1-CD 3.07Å; E459-K514 IonicContact OE2-NZ 3.32Å; E459-A515 HydrophobicContact CG-CB 3.65Å; E459-A515 PolarHBondContact OE1-N 2.69Å
460	A	93.6	Very high	91.2	Very high	10 Å²	10	22.9 Å²	22.9	8%	0.083	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.8	-178.9	0	0	0	0	0	112.7	T407 L418 I467 Y468	T407-A460 HydrophobicContact CG2-CB 3.6Å; L418-A460 HydrophobicContact CD2-CB 4.36Å; A460-I467 HydrophobicContact CB-CG2 4.41Å; A460-Y468 CarbonylContact C-O 3.47Å; A460-Y468 WeakPolarHBondContact CA-O 3.26Å
461	S	94.8	Very high	90.8	Very high	7 Å²	7	19.2 Å²	19.2	5%	0.049	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139.4	174.6	-150.9	0	0	0	0	110.4	Y468 A515 V516 S517	S461-Y468 PolarHBondContact N-O 2.8Å; S461-Y468 PolarHBondContact O-N 2.88Å; S461-A515 WeakPolarHBondContact CB-O 3.3Å; S461-A515 PolarHBondContact OG-O 3.48Å; S461-V516 VanDerWaalsContact OG-C 3.3Å; S461-V516 VanDerWaalsContact OG-CA 3.29Å; S461-V516 WeakPolarHBondContact OG-CA 3.26Å; S461-S517 PolarHBondContact OG-N 3.39Å; S461-S517 VanDerWaalsContact OG-N 3.17Å
462	A	93.8	Very high	90.3	Very high	15 Å²	15	19.2 Å²	19.2	12%	0.124	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.2	178.5	0	0	0	0	0	110.6	I409 I466 S517	I409-A462 HydrophobicContact CD1-CB 4.19Å; I409-A462 HydrophobicContact CG1-CB 3.66Å; A462-I466 WeakPolarHBondContact CA-O 3.45Å; A462-S517 VanDerWaalsContact O-CB 3.24Å; A462-S517 WeakPolarHBondContact O-CB 3.46Å; A462-S517 PolarHBondContact O-OG 3.26Å
463	C	91.9	Very high	89.8	Confident	10 Å²	10	19 Å²	19	7%	0.068	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	99.7	177.3	-177.5	0	0	0	0	108.7	S465 I466 Y468 N520	C463-S465 PolarHBondContact O-N 3.39Å; C463-I466 PolarHBondContact N-O 2.91Å; C463-I466 PolarHBondContact O-N 3.23Å; C463-Y468 HydrophobicContact CB-CD2 4.03Å; C463-Y468 HydrophobicContact CB-CE2 3.74Å; C463-N520 WeakPolarHBondContact SG-CA 3.45Å; C463-N520 PolarHBondContact SG-O 2.97Å
464	G	89.8	Confident	89.2	Confident	46 Å²	46	20.3 Å²	20.3	47%	0.474	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-124.7	-167.6	0	0	0	0	0	110.5	T411 I466	T411-G464 PolarHBondContact OG1-O 2.7Å; G464-I466 VanDerWaalsContact C-N 3.32Å
465	S	92.4	Very high	88.6	Confident	38 Å²	38	21.7 Å²	21.7	27%	0.266	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-0.7	177.7	63	0	0	0	0	115	C463 A492	C463-S465 PolarHBondContact O-N 3.39Å; S465-A492 WeakPolarHBondContact O-CB 3.42Å; S465-A492 PolarHBondContact O-N 2.9Å
466	I	94.8	Very high	87.7	Confident	17 Å²	17	23.2 Å²	23.2	9%	0.087	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.1	-172.9	-54.8	-54.5	0	0	0	109.6	A462 C463 G464 Y468 R489 Y490 D491	A462-I466 WeakPolarHBondContact CA-O 3.45Å; C463-I466 PolarHBondContact N-O 2.91Å; C463-I466 PolarHBondContact O-N 3.23Å; G464-I466 VanDerWaalsContact C-N 3.32Å; I466-Y468 HydrophobicContact CB-CE2 4.05Å; I466-Y468 HydrophobicContact CG2-CD2 4.12Å; I466-Y468 HydrophobicContact CG2-CE1 4.15Å; I466-Y468 HydrophobicContact CG2-CE2 3.56Å; I466-R489 VanDerWaalsContact CD1-NH2 3.3Å; I466-R489 HydrophobicContact CG2-CG 3.45Å; I466-R489 VanDerWaalsContact CG2-CG 3.45Å; I466-Y490 CarbonylContact C-O 3.58Å; I466-Y490 WeakPolarHBondContact CA-O 3.36Å; I466-D491 HydrophobicContact CD1-CB 3.7Å
467	I	95.9	Very high	86.7	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.2	171.9	-55.3	176.3	0	0	0	108	I409 T411 Y416 L418 A460 Y490	I409-I467 HydrophobicContact CG2-CD1 4.06Å; I409-I467 HydrophobicContact CG2-CG1 4.45Å; I409-I467 HydrophobicContact CG2-CG2 3.98Å; T411-I467 HydrophobicContact CG2-CD1 3.7Å; T411-I467 HydrophobicContact CG2-CG1 3.68Å; Y416-I467 HydrophobicContact CD1-CD1 3.87Å; Y416-I467 HydrophobicContact CD2-CD1 3.64Å; Y416-I467 HydrophobicContact CE1-CD1 4.36Å; Y416-I467 HydrophobicContact CE2-CD1 4.14Å; Y416-I467 HydrophobicContact CG-CD1 3.5Å; Y416-I467 VanDerWaalsContact CG-CD1 3.5Å; L418-I467 HydrophobicContact CD2-CG2 4.07Å; A460-I467 HydrophobicContact CB-CG2 4.41Å; I467-Y490 HydrophobicContact CB-CD1 4.32Å; I467-Y490 HydrophobicContact CD1-CD1 3.94Å; I467-Y490 HydrophobicContact CD1-CE1 4.41Å; I467-Y490 HydrophobicContact CG1-CD1 4.27Å; I467-Y490 PolarHBondContact N-O 2.8Å; I467-Y490 PolarHBondContact O-N 3.2Å
468	Y	94.2	Very high	85.3	Confident	3 Å²	3	30.4 Å²	30.4	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.1	170.5	-68.2	-81.1	0	0	0	108.5	A460 S461 C463 I466 F487 L488 R489 L500 L522 F535 P537	A460-Y468 CarbonylContact C-O 3.47Å; A460-Y468 WeakPolarHBondContact CA-O 3.26Å; S461-Y468 PolarHBondContact N-O 2.8Å; S461-Y468 PolarHBondContact O-N 2.88Å; C463-Y468 HydrophobicContact CB-CD2 4.03Å; C463-Y468 HydrophobicContact CB-CE2 3.74Å; I466-Y468 HydrophobicContact CB-CE2 4.05Å; I466-Y468 HydrophobicContact CG2-CD2 4.12Å; I466-Y468 HydrophobicContact CG2-CE1 4.15Å; I466-Y468 HydrophobicContact CG2-CE2 3.56Å; Y468-F487 AromaticContact CD1-CE2 3.76Å; Y468-F487 HydrophobicContact CD1-CE2 3.76Å; Y468-F487 AromaticContact CD1-CZ 3.85Å; Y468-F487 HydrophobicContact CD1-CZ 3.85Å; Y468-F487 HydrophobicContact CE1-CZ 4.43Å; Y468-F487 HydrophobicContact CG-CE2 4.39Å; Y468-L488 WeakPolarHBondContact CA-O 3.26Å; Y468-R489 HydrophobicContact CD1-CB 4.17Å; Y468-R489 HydrophobicContact CD1-CG 4.37Å; Y468-R489 HydrophobicContact CE1-CB 4.02Å; Y468-R489 HydrophobicContact CE1-CG 3.86Å; Y468-L500 HydrophobicContact CD1-CD1 3.89Å; Y468-L500 HydrophobicContact CE1-CD1 3.59Å; Y468-L522 HydrophobicContact CD1-CD2 4.01Å; Y468-L522 HydrophobicContact CD2-CB 4.5Å; Y468-L522 HydrophobicContact CD2-CD1 4.45Å; Y468-L522 HydrophobicContact CD2-CD2 4.12Å; Y468-L522 HydrophobicContact CG-CD2 3.7Å; Y468-F535 HydrophobicContact CE1-CD1 4.2Å; Y468-F535 AromaticContact CE1-CE1 3.66Å; Y468-F535 HydrophobicContact CE1-CE1 3.66Å; Y468-F535 AromaticContact CZ-CE1 3.89Å; Y468-P537 HydrophobicContact CE2-CG 4.35Å; Y468-P537 VanDerWaalsContact OH-CB 3.31Å; Y468-P537 WeakPolarHBondContact OH-CB 3.49Å
469	T	93.4	Very high	83.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.9	178.5	-59	0	0	0	0	110	L418 I455 E459 L488	L418-T469 HydrophobicContact CD1-CG2 3.4Å; L418-T469 VanDerWaalsContact CD1-CG2 3.4Å; I455-T469 HydrophobicContact CD1-CG2 3.84Å; E459-T469 CarbonylContact O-C 3.45Å; E459-T469 WeakPolarHBondContact O-CA 3.3Å; T469-L488 PolarHBondContact N-O 2.89Å; T469-L488 PolarHBondContact O-N 2.84Å
470	L	90.2	Very high	82	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.4	-173.4	-73.7	168.4	0	0	0	109.3	P458 E459 L484 C486 F487 A515 L524	P458-L470 CarbonylContact C-O 3.53Å; P458-L470 WeakPolarHBondContact CA-O 3.11Å; E459-L470 HydrophobicContact CB-CB 4.36Å; E459-L470 PolarHBondContact N-O 2.81Å; E459-L470 PolarHBondContact O-N 2.85Å; L470-L484 HydrophobicContact CB-CD1 3.97Å; L470-L484 HydrophobicContact CD2-CD1 4.31Å; L470-L484 HydrophobicContact CD2-CD2 4.05Å; L470-L484 HydrophobicContact CD2-CG 4.4Å; L470-C486 WeakPolarHBondContact CA-O 3.25Å; L470-F487 HydrophobicContact CD2-CB 3.78Å; L470-F487 HydrophobicContact CD2-CD2 3.09Å; L470-F487 HydrophobicContact CD2-CE2 3.7Å; L470-F487 HydrophobicContact CD2-CG 3.56Å; L470-F487 HydrophobicContact CG-CD2 3.79Å; L470-F487 HydrophobicContact CG-CE2 4.08Å; L470-A515 HydrophobicContact CD1-CB 3.99Å; L470-L524 HydrophobicContact CD1-CD1 3.83Å; L470-L524 HydrophobicContact CD1-CD2 3.26Å; L470-L524 HydrophobicContact CD1-CG 4.2Å
471	G	88.1	Confident	80.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-154.8	170.9	0	0	0	0	0	111.6	Y456 L484 D485 C486	Y456-G471 WeakPolarHBondContact O-CA 3.28Å; G471-L484 WeakPolarHBondContact O-CD1 3.32Å; G471-D485 PolarHBondContact O-N 2.91Å; G471-C486 PolarHBondContact N-O 3.46Å; G471-C486 VanDerWaalsContact N-O 3.11Å; G471-C486 PolarHBondContact O-N 3.49Å; G471-C486 VanDerWaalsContact O-N 3.16Å
472	S	84.8	Confident	79.6	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.014	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.2	179	-167.3	0	0	0	0	113.3	Y456 V474 P482 S483 D485	Y456-S472 PolarHBondContact N-O 3.45Å; Y456-S472 PolarHBondContact O-N 2.67Å; S472-V474 WeakPolarHBondContact CB-O 3.36Å; S472-V474 PolarHBondContact OG-N 3.06Å; S472-V474 VanDerWaalsContact OG-N 3.11Å; S472-V474 PolarHBondContact OG-O 3.08Å; S472-P482 WeakPolarHBondContact OG-CB 3.47Å; S472-S483 PolarHBondContact OG-O 3.45Å; S472-S483 VanDerWaalsContact OG-O 3.09Å; S472-D485 VanDerWaalsContact CA-OD1 3.25Å; S472-D485 WeakPolarHBondContact CA-OD1 3.07Å
473	S	81.3	Confident	78.8	Confident	54 Å²	54	43 Å²	43	38%	0.378	26%	0.262	S	S	.	.	S	Bend	trans	-76.3	-11.7	167	73.9	0	0	0	0	112.8	D485 C486	S473-D485 WeakPolarHBondContact CB-OD2 3.36Å; S473-D485 PolarHBondContact N-OD1 2.66Å; S473-D485 PolarHBondContact OG-OD2 2.83Å; S473-C486 PolarHBondContact N-SG 3.4Å
474	V	77	Confident	78.1	Confident	85 Å²	85	43 Å²	43	52%	0.515	26%	0.261	S	S	.	.	S	Bend	trans	-121.6	136.7	-175.3	-174.7	0	0	0	0	110.5	S472	S472-V474 WeakPolarHBondContact CB-O 3.36Å; S472-V474 PolarHBondContact OG-N 3.06Å; S472-V474 VanDerWaalsContact OG-N 3.11Å; S472-V474 PolarHBondContact OG-O 3.08Å
475	E	73.3	Confident	77.6	Confident	53 Å²	53	44.8 Å²	44.8	25%	0.248	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-77.6	147.4	172.1	-168.2	164.8	-160.1	0	0	111.5	R421 Y456 Y457 S477	R421-E475 IonicContact CZ-OE1 3.91Å; R421-E475 IonicContact NH1-OE1 2.89Å; R421-E475 PolarHBondContact NH1-OE1 3.47Å; R421-E475 IonicContact NH1-OE2 3.24Å; R421-E475 IonicContact NH2-OE1 2.85Å; R421-E475 PolarHBondContact NH2-OE1 3.38Å; Y456-E475 HydrophobicContact CD1-CB 3.77Å; Y456-E475 HydrophobicContact CD1-CG 3.91Å; Y456-E475 HydrophobicContact CD2-CB 4.44Å; Y456-E475 HydrophobicContact CE1-CB 3.66Å; Y456-E475 HydrophobicContact CE1-CG 3.95Å; Y456-E475 WeakPolarHBondContact CE1-OE2 3.39Å; Y456-E475 HydrophobicContact CE2-CB 4.36Å; Y456-E475 HydrophobicContact CG-CB 4.16Å; Y457-E475 WeakPolarHBondContact OH-CG 3.36Å; E475-S477 PolarHBondContact O-N 3.47Å
476	I	68	Low	77.2	Confident	33 Å²	33	43.6 Å²	43.6	17%	0.169	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-55.3	125	173.4	-72.1	164.9	0	0	0	109.8	L370 Y457 P482 T511	L370-I476 HydrophobicContact CD1-CD1 4.43Å; L370-I476 HydrophobicContact CD1-CG2 4.37Å; L370-I476 HydrophobicContact CD2-CD1 3.29Å; L370-I476 HydrophobicContact CG-CD1 4.49Å; Y457-I476 HydrophobicContact CE1-CD1 4.1Å; Y457-I476 HydrophobicContact CE2-CB 4.47Å; Y457-I476 HydrophobicContact CE2-CD1 3.81Å; Y457-I476 HydrophobicContact CE2-CG1 3.68Å; Y457-I476 WeakPolarHBondContact OH-CB 3.22Å; Y457-I476 WeakPolarHBondContact OH-CD1 3.01Å; Y457-I476 VanDerWaalsContact OH-CG1 3.26Å; Y457-I476 WeakPolarHBondContact OH-CG1 3.46Å; Y457-I476 PolarHBondContact OH-N 2.85Å; I476-P482 HydrophobicContact CG1-CG 3.83Å; I476-T511 HydrophobicContact CD1-CG2 3.67Å
477	S	60.2	Low	77	Confident	72 Å²	72	43.2 Å²	43.2	50%	0.503	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-89.4	150.8	155	66.4	0	0	0	0	108.1	E475 S479 F480	E475-S477 PolarHBondContact O-N 3.47Å; S477-S479 PolarHBondContact O-N 2.6Å; S477-F480 PolarHBondContact O-N 2.9Å; S477-F480 VanDerWaalsContact O-N 3.08Å
478	D	54.7	Low	76.8	Confident	144 Å²	144	43.3 Å²	43.3	77%	0.77	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	1.8	-172.6	-70	-36.4	0	0	0	116.2	R426	R426-D478 IonicContact NH1-OD1 3.64Å; R426-D478 IonicContact NH1-OD2 3.35Å
479	S	51.2	Low	76.8	Confident	116 Å²	116	46.5 Å²	46.5	81%	0.811	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132	-2.9	-175.6	-45.5	0	0	0	0	115.6	S477	S477-S479 PolarHBondContact O-N 2.6Å
480	F	59.7	Low	76.9	Confident	126 Å²	126	46.5 Å²	46.5	55%	0.553	26%	0.262	S	S	*	.	B	Isolated β-bridge	trans	-145.1	126.2	-173.1	-170.8	-103.5	0	0	0	113.3	S477	S477-F480 PolarHBondContact O-N 2.9Å; S477-F480 VanDerWaalsContact O-N 3.08Å
481	N	68	Low	77.2	Confident	52 Å²	52	48 Å²	48	28%	0.278	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-74.4	121.9	166.4	-79.7	-21.3	0	0	0	108.9	H509	N481-H509 HydrophobicContact CB-CB 4.05Å; N481-H509 PolarHBondContact ND2-ND1 3.29Å
482	P	69.8	Low	77.5	Confident	4 Å²	4	48.3 Å²	48.3	3%	0.026	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-69.4	144.1	-176.8	28	-36	0	0	0	110.9	Y457 S472 I476 A510	Y457-P482 HydrophobicContact CD2-CG 4.02Å; Y457-P482 HydrophobicContact CE2-CG 3.74Å; S472-P482 WeakPolarHBondContact OG-CB 3.47Å; I476-P482 HydrophobicContact CG1-CG 3.83Å; P482-A510 HydrophobicContact CG-CB 4.4Å; P482-A510 PolarHBondContact O-N 3.4Å
483	S	76.6	Confident	78.1	Confident	46 Å²	46	53.4 Å²	53.4	32%	0.322	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-65.1	143.8	172.6	-59.8	0	0	0	0	110.6	S472 D485 F508	S472-S483 PolarHBondContact OG-O 3.45Å; S472-S483 VanDerWaalsContact OG-O 3.09Å; S483-D485 PolarHBondContact O-N 3.18Å; S483-D485 VanDerWaalsContact O-N 3.15Å; S483-F508 CarbonylContact C-O 3.54Å; S483-F508 WeakPolarHBondContact CA-O 3.41Å
484	L	77.9	Confident	78.8	Confident	9 Å²	9	53.7 Å²	53.7	5%	0.047	31%	0.305	C	S	.	.			trans	-70.6	100	168.4	-171.8	78.3	0	0	0	109.4	L470 G471 G505 F508 A510 V513	L470-L484 HydrophobicContact CB-CD1 3.97Å; L470-L484 HydrophobicContact CD2-CD1 4.31Å; L470-L484 HydrophobicContact CD2-CD2 4.05Å; L470-L484 HydrophobicContact CD2-CG 4.4Å; G471-L484 WeakPolarHBondContact O-CD1 3.32Å; L484-G505 CarbonylContact O-C 3.55Å; L484-F508 HydrophobicContact CB-CB 3.98Å; L484-F508 HydrophobicContact CD2-CB 4.08Å; L484-F508 HydrophobicContact CD2-CD2 3.89Å; L484-F508 HydrophobicContact CD2-CG 4.47Å; L484-F508 PolarHBondContact N-O 2.93Å; L484-A510 HydrophobicContact CD1-CB 4.23Å; L484-V513 HydrophobicContact CD2-CG2 4.43Å
485	D	79.2	Confident	79.8	Confident	84 Å²	84	52.3 Å²	52.3	45%	0.449	30%	0.295	S	S	.	.			trans	-120.9	-12.3	-175.7	65.4	-1.2	0	0	0	113.2	G471 S472 S473 S483	G471-D485 PolarHBondContact O-N 2.91Å; S472-D485 VanDerWaalsContact CA-OD1 3.25Å; S472-D485 WeakPolarHBondContact CA-OD1 3.07Å; S473-D485 WeakPolarHBondContact CB-OD2 3.36Å; S473-D485 PolarHBondContact N-OD1 2.66Å; S473-D485 PolarHBondContact OG-OD2 2.83Å; S483-D485 PolarHBondContact O-N 3.18Å; S483-D485 VanDerWaalsContact O-N 3.15Å
486	C	84	Confident	80.9	Confident	13 Å²	13	55.3 Å²	55.3	9%	0.088	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.7	175	-66.3	0	0	0	0	108.8	I455 L470 G471 S473	I455-C486 HydrophobicContact CD1-CB 3.99Å; I455-C486 HydrophobicContact CG1-CB 3.98Å; L470-C486 WeakPolarHBondContact CA-O 3.25Å; G471-C486 PolarHBondContact N-O 3.46Å; G471-C486 VanDerWaalsContact N-O 3.11Å; G471-C486 PolarHBondContact O-N 3.49Å; G471-C486 VanDerWaalsContact O-N 3.16Å; S473-C486 PolarHBondContact N-SG 3.4Å
487	F	89.1	Confident	82.2	Confident	9 Å²	9	55.4 Å²	55.4	4%	0.039	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	110.8	167.2	-174.2	-152.9	0	0	0	110.2	Y468 L470 L500 A502 L522 W542	Y468-F487 AromaticContact CD1-CE2 3.76Å; Y468-F487 HydrophobicContact CD1-CE2 3.76Å; Y468-F487 AromaticContact CD1-CZ 3.85Å; Y468-F487 HydrophobicContact CD1-CZ 3.85Å; Y468-F487 HydrophobicContact CE1-CZ 4.43Å; Y468-F487 HydrophobicContact CG-CE2 4.39Å; L470-F487 HydrophobicContact CD2-CB 3.78Å; L470-F487 HydrophobicContact CD2-CD2 3.09Å; L470-F487 HydrophobicContact CD2-CE2 3.7Å; L470-F487 HydrophobicContact CD2-CG 3.56Å; L470-F487 HydrophobicContact CG-CD2 3.79Å; L470-F487 HydrophobicContact CG-CE2 4.08Å; F487-L500 HydrophobicContact CB-CB 4.46Å; F487-L500 HydrophobicContact CD1-CB 3.3Å; F487-L500 HydrophobicContact CD1-CD1 4.07Å; F487-L500 HydrophobicContact CD1-CG 4.33Å; F487-L500 HydrophobicContact CE1-CB 3.53Å; F487-L500 HydrophobicContact CE1-CD1 3.47Å; F487-L500 VanDerWaalsContact CE1-CD1 3.47Å; F487-L500 HydrophobicContact CE1-CG 4.16Å; F487-L500 HydrophobicContact CE2-CD1 4.11Å; F487-L500 HydrophobicContact CG-CB 3.88Å; F487-L500 HydrophobicContact CZ-CB 4.34Å; F487-L500 HydrophobicContact CZ-CD1 3.54Å; F487-L500 PolarHBondContact O-N 3.23Å; F487-A502 HydrophobicContact CD1-CB 4.09Å; F487-L522 HydrophobicContact CE2-CD2 4.11Å; F487-L522 HydrophobicContact CZ-CD2 3.89Å; F487-W542 HydrophobicContact CD1-CZ2 4.28Å; F487-W542 HydrophobicContact CE1-CH2 4.39Å; F487-W542 AromaticContact CE1-CZ2 3.48Å; F487-W542 HydrophobicContact CE1-CZ2 3.48Å; F487-W542 VanDerWaalsContact CE1-CZ2 3.48Å; F487-W542 HydrophobicContact CZ-CH2 4.37Å; F487-W542 AromaticContact CZ-CZ2 3.85Å; F487-W542 HydrophobicContact CZ-CZ2 3.85Å
488	L	91.9	Very high	83.8	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.8	-174.1	-59.8	-176.6	0	0	0	110.8	L451 P452 I455 Y468 T469 W497 H499	L451-L488 HydrophobicContact CD2-CD1 3.71Å; P452-L488 HydrophobicContact CG-CD1 4.5Å; P452-L488 HydrophobicContact CG-CD2 4.35Å; I455-L488 HydrophobicContact CD1-CD1 3.48Å; I455-L488 VanDerWaalsContact CD1-CD1 3.48Å; I455-L488 HydrophobicContact CD1-CG 4.1Å; I455-L488 HydrophobicContact CG1-CD1 4.49Å; Y468-L488 WeakPolarHBondContact CA-O 3.26Å; T469-L488 PolarHBondContact N-O 2.89Å; T469-L488 PolarHBondContact O-N 2.84Å; L488-W497 HydrophobicContact CB-CE3 3.74Å; L488-W497 HydrophobicContact CB-CZ3 3.61Å; L488-W497 HydrophobicContact CD1-CE3 4.06Å; L488-W497 HydrophobicContact CD1-CZ3 4.02Å; L488-H499 VanDerWaalsContact CD2-CE1 3.49Å; L488-H499 WeakPolarHBondContact CD2-CE1 3.25Å; L488-H499 WeakPolarHBondContact CD2-ND1 3.4Å
489	R	94	Very high	85.4	Confident	70 Å²	70	52.6 Å²	52.6	26%	0.264	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.7	174.7	172.3	-171.2	172.5	-79.5	-3.2	108.7	I466 Y468 W497 S498 L500	I466-R489 VanDerWaalsContact CD1-NH2 3.3Å; I466-R489 HydrophobicContact CG2-CG 3.45Å; I466-R489 VanDerWaalsContact CG2-CG 3.45Å; Y468-R489 HydrophobicContact CD1-CB 4.17Å; Y468-R489 HydrophobicContact CD1-CG 4.37Å; Y468-R489 HydrophobicContact CE1-CB 4.02Å; Y468-R489 HydrophobicContact CE1-CG 3.86Å; R489-W497 CarbonylContact O-C 3.44Å; R489-W497 WeakPolarHBondContact O-CA 3.42Å; R489-S498 WeakPolarHBondContact CB-OG 3.47Å; R489-S498 PolarHBondContact N-O 2.99Å; R489-S498 PolarHBondContact NH1-OG 3.05Å; R489-S498 PolarHBondContact O-N 2.83Å; R489-S498 PolarHBondContact O-OG 2.81Å; R489-L500 HydrophobicContact CB-CD1 3.7Å; R489-L500 HydrophobicContact CB-CG 3.92Å; R489-L500 HydrophobicContact CG-CD1 4.47Å
490	Y	96.4	Very high	87	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.2	174.3	176.6	-107.4	0	0	0	110.8	Y416 V448 I466 I467 A492 D495 Q496 W497	Y416-Y490 HydrophobicContact CD1-CE1 4.27Å; Y416-Y490 AromaticContact CE1-CE1 3.74Å; Y416-Y490 HydrophobicContact CE1-CE1 3.74Å; V448-Y490 WeakPolarHBondContact CB-OH 3.49Å; I466-Y490 CarbonylContact C-O 3.58Å; I466-Y490 WeakPolarHBondContact CA-O 3.36Å; I467-Y490 HydrophobicContact CB-CD1 4.32Å; I467-Y490 HydrophobicContact CD1-CD1 3.94Å; I467-Y490 HydrophobicContact CD1-CE1 4.41Å; I467-Y490 HydrophobicContact CG1-CD1 4.27Å; I467-Y490 PolarHBondContact N-O 2.8Å; I467-Y490 PolarHBondContact O-N 3.2Å; Y490-A492 HydrophobicContact CD1-CB 4.35Å; Y490-A492 HydrophobicContact CE1-CB 3.93Å; Y490-D495 WeakPolarHBondContact CE2-OD1 3.47Å; Y490-D495 PolarHBondContact OH-OD1 3.03Å; Y490-Q496 WeakPolarHBondContact CA-O 3.34Å; Y490-W497 AromaticContact CD2-CD1 3.8Å; Y490-W497 AromaticContact CD2-CD2 3.77Å; Y490-W497 HydrophobicContact CD2-CD2 3.77Å; Y490-W497 AromaticContact CD2-CE2 3.39Å; Y490-W497 HydrophobicContact CD2-CE3 4.46Å; Y490-W497 AromaticContact CD2-CG 3.99Å; Y490-W497 HydrophobicContact CD2-CG 3.99Å; Y490-W497 HydrophobicContact CD2-CH2 4.49Å; Y490-W497 AromaticContact CD2-CZ2 3.77Å; Y490-W497 HydrophobicContact CD2-CZ2 3.77Å; Y490-W497 AromaticContact CD2-NE1 3.42Å; Y490-W497 AromaticContact CE2-NE1 3.84Å; Y490-W497 HydrophobicContact CG-CD2 4.21Å; Y490-W497 AromaticContact CG-CE2 3.86Å; Y490-W497 HydrophobicContact CG-CE3 4.49Å; Y490-W497 HydrophobicContact CG-CH2 4.13Å; Y490-W497 AromaticContact CG-CZ2 3.8Å; Y490-W497 HydrophobicContact CG-CZ2 3.8Å; Y490-W497 HydrophobicContact CG-CZ3 4.48Å
491	D	95.8	Very high	87.6	Confident	32 Å²	32	48.9 Å²	48.9	17%	0.171	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	109.9	171.4	178.2	-2.7	0	0	0	109.8	I466 V493 S494 D495 Q496	I466-D491 HydrophobicContact CD1-CB 3.7Å; D491-V493 PolarHBondContact O-N 3.01Å; D491-V493 WeakPolarHBondContact OD1-CB 3.33Å; D491-V493 PolarHBondContact OD1-N 3.29Å; D491-S494 WeakPolarHBondContact CB-OG 3.43Å; D491-S494 PolarHBondContact O-N 3.37Å; D491-S494 PolarHBondContact OD1-N 2.86Å; D491-S494 PolarHBondContact OD2-OG 2.8Å; D491-D495 WeakPolarHBondContact O-CA 3.47Å; D491-D495 PolarHBondContact O-N 2.87Å; D491-Q496 PolarHBondContact N-O 2.96Å; D491-Q496 PolarHBondContact O-N 2.77Å
492	A	95.8	Very high	87.4	Confident	8 Å²	8	47.7 Å²	47.7	7%	0.066	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.5	-177.2	0	0	0	0	0	114	T411 L412 S465 Y490	T411-A492 HydrophobicContact CG2-CB 4.26Å; L412-A492 HydrophobicContact CD1-CB 3.85Å; S465-A492 WeakPolarHBondContact O-CB 3.42Å; S465-A492 PolarHBondContact O-N 2.9Å; Y490-A492 HydrophobicContact CD1-CB 4.35Å; Y490-A492 HydrophobicContact CE1-CB 3.93Å
493	V	96.4	Very high	87.2	Confident	109 Å²	109	55.1 Å²	55.1	66%	0.661	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-45.9	176.5	179.4	0	0	0	0	110.6	L412 D491	L412-V493 HydrophobicContact CD1-CG2 3.76Å; D491-V493 PolarHBondContact O-N 3.01Å; D491-V493 WeakPolarHBondContact OD1-CB 3.33Å; D491-V493 PolarHBondContact OD1-N 3.29Å
494	S	96.2	Very high	86.5	Confident	60 Å²	60	57.2 Å²	57.2	42%	0.42	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-10	-178.5	62.5	0	0	0	0	114	D491	D491-S494 WeakPolarHBondContact CB-OG 3.43Å; D491-S494 PolarHBondContact O-N 3.37Å; D491-S494 PolarHBondContact OD1-N 2.86Å; D491-S494 PolarHBondContact OD2-OG 2.8Å
495	D	97.1	Very high	85.3	Confident	56 Å²	56	57 Å²	57	30%	0.299	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	55	-174	-178	16.2	0	0	0	110.8	S449 Y490 D491	S449-D495 WeakPolarHBondContact CA-OD1 3.32Å; S449-D495 WeakPolarHBondContact CB-OD1 3.3Å; S449-D495 PolarHBondContact N-OD1 2.91Å; S449-D495 VanDerWaalsContact OG-CG 3.27Å; S449-D495 PolarHBondContact OG-O 3.02Å; S449-D495 PolarHBondContact OG-OD1 2.76Å; S449-D495 PolarHBondContact OG-OD2 2.65Å; Y490-D495 WeakPolarHBondContact CE2-OD1 3.47Å; Y490-D495 PolarHBondContact OH-OD1 3.03Å; D491-D495 WeakPolarHBondContact O-CA 3.47Å; D491-D495 PolarHBondContact O-N 2.87Å
496	Q	96.8	Very high	84.2	Confident	116 Å²	116	60.6 Å²	60.6	54%	0.542	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.6	-177.4	-67.9	-60.7	-58.5	0	0	112.4	Y490 D491	Y490-Q496 WeakPolarHBondContact CA-O 3.34Å; D491-Q496 PolarHBondContact N-O 2.96Å; D491-Q496 PolarHBondContact O-N 2.77Å
497	W	96.2	Very high	83	Confident	35 Å²	35	68 Å²	68	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	146.6	173.5	-72.2	96.3	0	0	0	111.8	V435 S449 P450 L451 P452 L488 R489 Y490	V435-W497 HydrophobicContact CG2-CZ2 4.02Å; S449-W497 PolarHBondContact O-NE1 2.9Å; P450-W497 PolarHBondContact O-NE1 3.2Å; L451-W497 HydrophobicContact CD2-CE3 4.39Å; L451-W497 HydrophobicContact CD2-CH2 3.35Å; L451-W497 HydrophobicContact CD2-CZ2 3.59Å; L451-W497 HydrophobicContact CD2-CZ3 3.78Å; L451-W497 HydrophobicContact CG-CZ2 4.36Å; P452-W497 HydrophobicContact CG-CB 3.53Å; P452-W497 HydrophobicContact CG-CD2 4.45Å; P452-W497 HydrophobicContact CG-CG 3.94Å; L488-W497 HydrophobicContact CB-CE3 3.74Å; L488-W497 HydrophobicContact CB-CZ3 3.61Å; L488-W497 HydrophobicContact CD1-CE3 4.06Å; L488-W497 HydrophobicContact CD1-CZ3 4.02Å; R489-W497 CarbonylContact O-C 3.44Å; R489-W497 WeakPolarHBondContact O-CA 3.42Å; Y490-W497 AromaticContact CD2-CD1 3.8Å; Y490-W497 AromaticContact CD2-CD2 3.77Å; Y490-W497 HydrophobicContact CD2-CD2 3.77Å; Y490-W497 AromaticContact CD2-CE2 3.39Å; Y490-W497 HydrophobicContact CD2-CE3 4.46Å; Y490-W497 AromaticContact CD2-CG 3.99Å; Y490-W497 HydrophobicContact CD2-CG 3.99Å; Y490-W497 HydrophobicContact CD2-CH2 4.49Å; Y490-W497 AromaticContact CD2-CZ2 3.77Å; Y490-W497 HydrophobicContact CD2-CZ2 3.77Å; Y490-W497 AromaticContact CD2-NE1 3.42Å; Y490-W497 AromaticContact CE2-NE1 3.84Å; Y490-W497 HydrophobicContact CG-CD2 4.21Å; Y490-W497 AromaticContact CG-CE2 3.86Å; Y490-W497 HydrophobicContact CG-CE3 4.49Å; Y490-W497 HydrophobicContact CG-CH2 4.13Å; Y490-W497 AromaticContact CG-CZ2 3.8Å; Y490-W497 HydrophobicContact CG-CZ2 3.8Å; Y490-W497 HydrophobicContact CG-CZ3 4.48Å
498	S	92.6	Very high	82.1	Confident	38 Å²	38	68.2 Å²	68.2	27%	0.266	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.6	173.5	47.2	0	0	0	0	109.5	R489	R489-S498 WeakPolarHBondContact CB-OG 3.47Å; R489-S498 PolarHBondContact N-O 2.99Å; R489-S498 PolarHBondContact NH1-OG 3.05Å; R489-S498 PolarHBondContact O-N 2.83Å; R489-S498 PolarHBondContact O-OG 2.81Å
499	H	89.3	Confident	81.2	Confident	119 Å²	119	71.2 Å²	71.2	55%	0.551	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	136.2	171.8	-72.7	-94.3	0	0	0	109.4	P452 L488	P452-H499 WeakPolarHBondContact CB-NE2 3.45Å; L488-H499 VanDerWaalsContact CD2-CE1 3.49Å; L488-H499 WeakPolarHBondContact CD2-CE1 3.25Å; L488-H499 WeakPolarHBondContact CD2-ND1 3.4Å
500	L	84.3	Confident	80.2	Confident	36 Å²	36	68 Å²	68	19%	0.188	35%	0.35	C	S	.	.			trans	-108.3	138	170.3	-68.8	179.8	0	0	0	109.6	Y468 F487 R489 A502 F535	Y468-L500 HydrophobicContact CD1-CD1 3.89Å; Y468-L500 HydrophobicContact CE1-CD1 3.59Å; F487-L500 HydrophobicContact CB-CB 4.46Å; F487-L500 HydrophobicContact CD1-CB 3.3Å; F487-L500 HydrophobicContact CD1-CD1 4.07Å; F487-L500 HydrophobicContact CD1-CG 4.33Å; F487-L500 HydrophobicContact CE1-CB 3.53Å; F487-L500 HydrophobicContact CE1-CD1 3.47Å; F487-L500 VanDerWaalsContact CE1-CD1 3.47Å; F487-L500 HydrophobicContact CE1-CG 4.16Å; F487-L500 HydrophobicContact CE2-CD1 4.11Å; F487-L500 HydrophobicContact CG-CB 3.88Å; F487-L500 HydrophobicContact CZ-CB 4.34Å; F487-L500 HydrophobicContact CZ-CD1 3.54Å; F487-L500 PolarHBondContact O-N 3.23Å; R489-L500 HydrophobicContact CB-CD1 3.7Å; R489-L500 HydrophobicContact CB-CG 3.92Å; R489-L500 HydrophobicContact CG-CD1 4.47Å; L500-A502 PolarHBondContact O-N 2.91Å; L500-F535 HydrophobicContact CD1-CE1 4.15Å; L500-F535 HydrophobicContact CD1-CZ 4.04Å
501	V	72.1	Confident	79.2	Confident	128 Å²	128	69.4 Å²	69.4	78%	0.776	36%	0.359	S	S	*	.			trans	-89	107.8	172.3	-177.2	0	0	0	0	106.7	E503	V501-E503 PolarHBondContact O-N 3.05Å
502	A	64.6	Low	78.6	Confident	27 Å²	27	68.2 Å²	68.2	22%	0.223	35%	0.353	C	S	.	.			trans	-76	104.5	168.4	0	0	0	0	0	107.8	F487 L500 F504 G505	F487-A502 HydrophobicContact CD1-CB 4.09Å; L500-A502 PolarHBondContact O-N 2.91Å; A502-F504 PolarHBondContact O-N 2.84Å; A502-G505 PolarHBondContact O-N 3.06Å; A502-G505 VanDerWaalsContact O-N 3.1Å
503	E	64.8	Low	78.2	Confident	160 Å²	160	68.1 Å²	68.1	75%	0.748	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.4	174.9	-64.6	-174	157.1	0	0	112.3	V501	V501-E503 PolarHBondContact O-N 3.05Å
504	F	61.9	Low	77.9	Confident	90 Å²	90	65.1 Å²	65.1	40%	0.395	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-7.5	179.1	-58.4	-80.9	0	0	0	114.6	A502 Q506 F508 W542	A502-F504 PolarHBondContact O-N 2.84Å; F504-Q506 VanDerWaalsContact C-N 3.35Å; F504-Q506 PolarHBondContact O-N 2.94Å; F504-F508 HydrophobicContact CB-CE2 4.16Å; F504-F508 HydrophobicContact CB-CZ 4.2Å; F504-W542 HydrophobicContact CD2-CB 3.83Å; F504-W542 HydrophobicContact CD2-CG 4.1Å; F504-W542 HydrophobicContact CE2-CB 3.63Å; F504-W542 HydrophobicContact CE2-CG 4.35Å
505	G	53.8	Low	77.7	Confident	4 Å²	4	62.5 Å²	62.5	4%	0.041	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-66.9	-25.9	-161.9	0	0	0	0	0	116.1	L484 A502 F507 F508	L484-G505 CarbonylContact O-C 3.55Å; A502-G505 PolarHBondContact O-N 3.06Å; A502-G505 VanDerWaalsContact O-N 3.1Å; G505-F507 PolarHBondContact O-N 2.92Å; G505-F508 PolarHBondContact O-N 3.47Å
506	Q	54.2	Low	77.5	Confident	159 Å²	159	60.1 Å²	60.1	74%	0.743	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-67.4	-9.6	-172.4	-65.6	-177.1	-0.2	0	0	114.7	F504	F504-Q506 VanDerWaalsContact C-N 3.35Å; F504-Q506 PolarHBondContact O-N 2.94Å
507	F	58.9	Low	77.3	Confident	169 Å²	169	56.2 Å²	56.2	74%	0.741	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-104.2	-8.2	-177	-57	-72.9	0	0	0	114.5	G505	G505-F507 PolarHBondContact O-N 2.92Å
508	F	70.1	Confident	77	Confident	13 Å²	13	54.8 Å²	54.8	6%	0.057	28%	0.279	C	S	.	.	S	Bend	trans	-89.9	143.1	-176.6	-54.5	-50.5	0	0	0	112	S483 L484 F504 G505 V513 D526 Y533	S483-F508 CarbonylContact C-O 3.54Å; S483-F508 WeakPolarHBondContact CA-O 3.41Å; L484-F508 HydrophobicContact CB-CB 3.98Å; L484-F508 HydrophobicContact CD2-CB 4.08Å; L484-F508 HydrophobicContact CD2-CD2 3.89Å; L484-F508 HydrophobicContact CD2-CG 4.47Å; L484-F508 PolarHBondContact N-O 2.93Å; F504-F508 HydrophobicContact CB-CE2 4.16Å; F504-F508 HydrophobicContact CB-CZ 4.2Å; G505-F508 PolarHBondContact O-N 3.47Å; F508-V513 HydrophobicContact CB-CG2 3.62Å; F508-V513 HydrophobicContact CG-CG2 4.18Å; F508-D526 HydrophobicContact CD1-CB 4.09Å; F508-D526 WeakPolarHBondContact CD1-OD2 3.38Å; F508-D526 HydrophobicContact CE1-CB 4.26Å; F508-Y533 HydrophobicContact CE1-CD2 4.19Å; F508-Y533 AromaticContact CE1-CE2 3.45Å; F508-Y533 HydrophobicContact CE1-CE2 3.45Å; F508-Y533 VanDerWaalsContact CE1-CE2 3.45Å; F508-Y533 AromaticContact CE1-CZ 3.92Å; F508-Y533 HydrophobicContact CE2-CE2 4.49Å; F508-Y533 AromaticContact CZ-CD2 3.71Å; F508-Y533 HydrophobicContact CZ-CD2 3.71Å; F508-Y533 HydrophobicContact CZ-CE1 4.43Å; F508-Y533 AromaticContact CZ-CE2 3.32Å; F508-Y533 HydrophobicContact CZ-CE2 3.32Å; F508-Y533 HydrophobicContact CZ-CG 4.41Å; F508-Y533 AromaticContact CZ-CZ 3.72Å
509	H	74.4	Confident	76.6	Confident	65 Å²	65	57.2 Å²	57.2	30%	0.301	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-80.5	122.1	170.4	-64.1	159.6	0	0	0	109.5	N481 T511 L512 V513	N481-H509 HydrophobicContact CB-CB 4.05Å; N481-H509 PolarHBondContact ND2-ND1 3.29Å; H509-T511 PolarHBondContact O-N 3.19Å; H509-T511 VanDerWaalsContact O-N 3.09Å; H509-L512 HydrophobicContact CB-CB 4.14Å; H509-L512 HydrophobicContact CB-CD1 3.94Å; H509-L512 HydrophobicContact CB-CG 4.02Å; H509-L512 PolarHBondContact O-N 3.42Å; H509-V513 PolarHBondContact O-N 2.98Å
510	A	73.2	Confident	76.4	Confident	4 Å²	4	56.9 Å²	56.9	3%	0.033	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.7	-174.5	0	0	0	0	0	113.8	P482 L484	P482-A510 HydrophobicContact CG-CB 4.4Å; P482-A510 PolarHBondContact O-N 3.4Å; L484-A510 HydrophobicContact CD1-CB 4.23Å
511	T	74.8	Confident	76.6	Confident	29 Å²	29	58 Å²	58	18%	0.178	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-14.5	178.3	47.6	0	0	0	0	114.6	Y457 I476 H509	Y457-T511 HydrophobicContact CD1-CG2 4.03Å; Y457-T511 HydrophobicContact CD2-CG2 4.01Å; Y457-T511 HydrophobicContact CE2-CG2 4.47Å; Y457-T511 HydrophobicContact CG-CG2 3.75Å; I476-T511 HydrophobicContact CD1-CG2 3.67Å; H509-T511 PolarHBondContact O-N 3.19Å; H509-T511 VanDerWaalsContact O-N 3.09Å
512	L	82.4	Confident	77.6	Confident	8 Å²	8	51.9 Å²	51.9	4%	0.042	26%	0.26	C	S	.	.	S	Bend	trans	-117.1	10.7	-170.1	-54.1	-178.9	0	0	0	112.7	H509 L527 F553	H509-L512 HydrophobicContact CB-CB 4.14Å; H509-L512 HydrophobicContact CB-CD1 3.94Å; H509-L512 HydrophobicContact CB-CG 4.02Å; H509-L512 PolarHBondContact O-N 3.42Å; L512-L527 HydrophobicContact CB-CB 4.42Å; L512-L527 WeakPolarHBondContact O-CB 3.21Å; L512-L527 VanDerWaalsContact O-CG 3.28Å; L512-L527 WeakPolarHBondContact O-CG 3.22Å; L512-L527 PolarHBondContact O-N 2.8Å; L512-F553 HydrophobicContact CD1-CD1 3.37Å; L512-F553 HydrophobicContact CD1-CE1 3.49Å; L512-F553 VanDerWaalsContact CD1-CE1 3.49Å; L512-F553 HydrophobicContact CD2-CB 3.76Å; L512-F553 HydrophobicContact CD2-CD1 3.39Å; L512-F553 HydrophobicContact CD2-CE1 4.37Å; L512-F553 HydrophobicContact CD2-CG 4.02Å; L512-F553 WeakPolarHBondContact CD2-O 3.23Å; L512-F553 HydrophobicContact CG-CD1 3.95Å
513	V	87.1	Confident	78.8	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.03	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.4	174.5	174.5	0	0	0	0	108.7	L484 F508 H509 L524 C525	L484-V513 HydrophobicContact CD2-CG2 4.43Å; F508-V513 HydrophobicContact CB-CG2 3.62Å; F508-V513 HydrophobicContact CG-CG2 4.18Å; H509-V513 PolarHBondContact O-N 2.98Å; V513-L524 HydrophobicContact CG1-CB 4.24Å; V513-L524 HydrophobicContact CG1-CD2 4.43Å; V513-C525 WeakPolarHBondContact CA-O 3.32Å
514	K	90.4	Very high	80	Confident	46 Å²	46	43.5 Å²	43.5	20%	0.2	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.5	170.9	-70.4	-53.8	-172.8	-172.6	0	111	E459 L524 C525 L527 A555 S557	E459-K514 WeakPolarHBondContact OE1-CA 3.36Å; E459-K514 WeakPolarHBondContact OE1-CD 3.07Å; E459-K514 IonicContact OE2-NZ 3.32Å; K514-L524 WeakPolarHBondContact O-CA 3.44Å; K514-C525 HydrophobicContact CB-CB 4.26Å; K514-C525 PolarHBondContact N-O 3.23Å; K514-C525 PolarHBondContact O-N 3.41Å; K514-L527 HydrophobicContact CG-CD1 3.95Å; K514-L527 HydrophobicContact CG-CG 4.39Å; K514-A555 WeakPolarHBondContact CE-O 3.42Å; K514-S557 VanDerWaalsContact CB-OG 3.3Å; K514-S557 WeakPolarHBondContact CB-OG 3.39Å
515	A	92	Very high	81.4	Confident	5 Å²	5	39.2 Å²	39.2	4%	0.041	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.7	-177.1	0	0	0	0	0	110.7	E459 S461 L470 L522 L524	E459-A515 HydrophobicContact CG-CB 3.65Å; E459-A515 PolarHBondContact OE1-N 2.69Å; S461-A515 WeakPolarHBondContact CB-O 3.3Å; S461-A515 PolarHBondContact OG-O 3.48Å; L470-A515 HydrophobicContact CD1-CB 3.99Å; A515-L522 HydrophobicContact CB-CD1 4.4Å; A515-L524 HydrophobicContact CB-CD2 3.79Å
516	V	93.8	Very high	83	Confident	6 Å²	6	39.1 Å²	39.1	4%	0.036	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.3	-178.8	-62.4	0	0	0	0	110.8	S461 H523 I564	S461-V516 VanDerWaalsContact OG-C 3.3Å; S461-V516 VanDerWaalsContact OG-CA 3.29Å; S461-V516 WeakPolarHBondContact OG-CA 3.26Å; V516-H523 HydrophobicContact CG2-CB 3.96Å; V516-H523 PolarHBondContact N-O 2.96Å; V516-H523 PolarHBondContact O-N 2.96Å; V516-I564 HydrophobicContact CG2-CB 4.37Å; V516-I564 HydrophobicContact CG2-CD1 3.79Å; V516-I564 HydrophobicContact CG2-CG1 3.84Å; V516-I564 HydrophobicContact CG2-CG2 3.71Å
517	S	92.1	Very high	84.5	Confident	35 Å²	35	31.7 Å²	31.7	25%	0.245	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132	177.5	61.5	0	0	0	0	110.6	S461 A462 I521	S461-S517 PolarHBondContact OG-N 3.39Å; S461-S517 VanDerWaalsContact OG-N 3.17Å; A462-S517 VanDerWaalsContact O-CB 3.24Å; A462-S517 WeakPolarHBondContact O-CB 3.46Å; A462-S517 PolarHBondContact O-OG 3.26Å; S517-I521 WeakPolarHBondContact CA-O 3.39Å
518	V	90.3	Very high	85.5	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.024	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.3	177	179.5	0	0	0	0	107	N520 I521 A561 R563 I564	V518-N520 VanDerWaalsContact C-N 3.32Å; V518-N520 PolarHBondContact O-N 2.79Å; V518-I521 PolarHBondContact N-O 3.08Å; V518-I521 WeakPolarHBondContact O-CB 3.47Å; V518-I521 PolarHBondContact O-N 2.83Å; V518-I521 VanDerWaalsContact O-O 3.14Å; V518-A561 WeakPolarHBondContact CG1-O 3.34Å; V518-R563 WeakPolarHBondContact CG2-O 3.41Å; V518-I564 HydrophobicContact CG2-CD1 4.27Å; V518-I564 HydrophobicContact CG2-CG1 3.56Å
519	N	84.5	Confident	86.1	Confident	89 Å²	89	27.9 Å²	27.9	48%	0.476	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	42.8	-179.4	-62.8	-40.4	0	0	0	115.5	I521 A561 N562 S585	N519-I521 PolarHBondContact O-N 3.37Å; N519-I521 VanDerWaalsContact O-N 3.15Å; N519-A561 PolarHBondContact OD1-O 3.35Å; N519-N562 VanDerWaalsContact CG-OD1 3.24Å; N519-N562 PolarHBondContact ND2-OD1 2.96Å; N519-N562 PolarHBondContact OD1-OD1 3.25Å; N519-S585 PolarHBondContact ND2-OG 2.88Å
520	N	84.8	Confident	86.6	Confident	112 Å²	112	28.6 Å²	28.6	60%	0.599	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	23	-175.4	-57.9	-30.7	0	0	0	114.5	C463 V518 P537	C463-N520 WeakPolarHBondContact SG-CA 3.45Å; C463-N520 PolarHBondContact SG-O 2.97Å; V518-N520 VanDerWaalsContact C-N 3.32Å; V518-N520 PolarHBondContact O-N 2.79Å; N520-P537 WeakPolarHBondContact O-CD 3.38Å; N520-P537 WeakPolarHBondContact O-CG 3.3Å
521	I	89.3	Confident	87.2	Confident	59 Å²	59	33.1 Å²	33.1	30%	0.303	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.4	173.1	-61.3	172.1	0	0	0	107.7	S517 V518 N519 H523 F535	S517-I521 WeakPolarHBondContact CA-O 3.39Å; V518-I521 PolarHBondContact N-O 3.08Å; V518-I521 WeakPolarHBondContact O-CB 3.47Å; V518-I521 PolarHBondContact O-N 2.83Å; V518-I521 VanDerWaalsContact O-O 3.14Å; N519-I521 PolarHBondContact O-N 3.37Å; N519-I521 VanDerWaalsContact O-N 3.15Å; I521-H523 VanDerWaalsContact CG2-CE1 3.41Å; I521-H523 WeakPolarHBondContact CG2-CE1 3.48Å; I521-H523 PolarHBondContact O-ND1 3.23Å; I521-F535 WeakPolarHBondContact CG2-O 3.33Å
522	L	91.4	Very high	87.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.4	175	175.3	71	0	0	0	108.7	Y468 F487 A515 L524 S534 F535	Y468-L522 HydrophobicContact CD1-CD2 4.01Å; Y468-L522 HydrophobicContact CD2-CB 4.5Å; Y468-L522 HydrophobicContact CD2-CD1 4.45Å; Y468-L522 HydrophobicContact CD2-CD2 4.12Å; Y468-L522 HydrophobicContact CG-CD2 3.7Å; F487-L522 HydrophobicContact CE2-CD2 4.11Å; F487-L522 HydrophobicContact CZ-CD2 3.89Å; A515-L522 HydrophobicContact CB-CD1 4.4Å; L522-L524 HydrophobicContact CD1-CD2 4.4Å; L522-L524 HydrophobicContact CD2-CD2 4.29Å; L522-L524 HydrophobicContact CG-CD2 4.22Å; L522-S534 CarbonylContact O-C 3.57Å; L522-S534 WeakPolarHBondContact O-CA 3.49Å; L522-F535 HydrophobicContact CB-CB 4.19Å; L522-F535 HydrophobicContact CB-CD1 4.25Å; L522-F535 HydrophobicContact CD2-CB 4.41Å; L522-F535 HydrophobicContact CD2-CD1 4.18Å; L522-F535 PolarHBondContact N-O 3.46Å; L522-F535 PolarHBondContact O-N 2.91Å
523	H	90.9	Very high	88	Confident	7 Å²	7	33 Å²	33	3%	0.032	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132	176.4	-62.8	58.8	0	0	0	109.1	V516 I521 V532 Y533 I564	V516-H523 HydrophobicContact CG2-CB 3.96Å; V516-H523 PolarHBondContact N-O 2.96Å; V516-H523 PolarHBondContact O-N 2.96Å; I521-H523 VanDerWaalsContact CG2-CE1 3.41Å; I521-H523 WeakPolarHBondContact CG2-CE1 3.48Å; I521-H523 PolarHBondContact O-ND1 3.23Å; H523-V532 HydrophobicContact CB-CG1 4.31Å; H523-Y533 CarbonylContact C-O 3.57Å; H523-Y533 VanDerWaalsContact CA-O 3.27Å; H523-Y533 WeakPolarHBondContact CA-O 3.06Å; H523-I564 HydrophobicContact CB-CD1 3.58Å; H523-I564 WeakPolarHBondContact CD2-CD1 3.35Å
524	L	90.3	Very high	88.1	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.1	173.6	-57.4	-168.1	0	0	0	109.4	L470 V513 K514 A515 L522 V532 Y533 W542	L470-L524 HydrophobicContact CD1-CD1 3.83Å; L470-L524 HydrophobicContact CD1-CD2 3.26Å; L470-L524 HydrophobicContact CD1-CG 4.2Å; V513-L524 HydrophobicContact CG1-CB 4.24Å; V513-L524 HydrophobicContact CG1-CD2 4.43Å; K514-L524 WeakPolarHBondContact O-CA 3.44Å; A515-L524 HydrophobicContact CB-CD2 3.79Å; L522-L524 HydrophobicContact CD1-CD2 4.4Å; L522-L524 HydrophobicContact CD2-CD2 4.29Å; L522-L524 HydrophobicContact CG-CD2 4.22Å; L524-V532 VanDerWaalsContact O-CA 3.32Å; L524-V532 WeakPolarHBondContact O-CA 3.49Å; L524-Y533 PolarHBondContact N-O 2.62Å; L524-Y533 PolarHBondContact O-N 3.47Å; L524-W542 HydrophobicContact CB-CZ3 4.44Å; L524-W542 HydrophobicContact CD1-CH2 3.31Å; L524-W542 HydrophobicContact CD1-CZ2 4.26Å; L524-W542 HydrophobicContact CD1-CZ3 3.78Å; L524-W542 HydrophobicContact CG-CH2 3.62Å; L524-W542 HydrophobicContact CG-CZ3 3.79Å
525	C	89.9	Confident	88	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	110.5	175.8	-54.9	0	0	0	0	108.5	V513 K514 V532 F548 I566	V513-C525 WeakPolarHBondContact CA-O 3.32Å; K514-C525 HydrophobicContact CB-CB 4.26Å; K514-C525 PolarHBondContact N-O 3.23Å; K514-C525 PolarHBondContact O-N 3.41Å; C525-V532 HydrophobicContact CB-CG2 4.14Å; C525-F548 HydrophobicContact CB-CE1 4.32Å; C525-I566 HydrophobicContact CB-CD1 3.97Å
526	D	87.6	Confident	87.7	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.011	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	105.6	174.8	176	7.2	0	0	0	109.3	F508 S528 T529 Y530 K531 F548	F508-D526 HydrophobicContact CD1-CB 4.09Å; F508-D526 WeakPolarHBondContact CD1-OD2 3.38Å; F508-D526 HydrophobicContact CE1-CB 4.26Å; D526-S528 PolarHBondContact O-N 2.48Å; D526-S528 WeakPolarHBondContact OD1-CB 3.48Å; D526-S528 PolarHBondContact OD1-N 3.42Å; D526-S528 PolarHBondContact OD1-OG 3.15Å; D526-S528 PolarHBondContact OD2-OG 2.85Å; D526-T529 VanDerWaalsContact CG-OG1 3.28Å; D526-T529 PolarHBondContact OD1-N 2.96Å; D526-T529 WeakPolarHBondContact OD2-CB 3.34Å; D526-T529 VanDerWaalsContact OD2-CG2 3.3Å; D526-T529 WeakPolarHBondContact OD2-CG2 3.36Å; D526-T529 PolarHBondContact OD2-OG1 2.85Å; D526-Y530 VanDerWaalsContact O-CA 3.26Å; D526-Y530 WeakPolarHBondContact O-CA 3.26Å; D526-Y530 PolarHBondContact O-N 3.25Å; D526-K531 PolarHBondContact N-O 3.3Å; D526-K531 PolarHBondContact O-N 3.19Å; D526-F548 WeakPolarHBondContact O-CZ 3.46Å
527	L	86.1	Confident	87.1	Confident	2 Å²	2	34 Å²	34	1%	0.01	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-16.7	-178.3	-53.7	175.3	0	0	0	112.4	L512 K514 Y530 F548 A551 F553 A555 I566	L512-L527 HydrophobicContact CB-CB 4.42Å; L512-L527 WeakPolarHBondContact O-CB 3.21Å; L512-L527 VanDerWaalsContact O-CG 3.28Å; L512-L527 WeakPolarHBondContact O-CG 3.22Å; L512-L527 PolarHBondContact O-N 2.8Å; K514-L527 HydrophobicContact CG-CD1 3.95Å; K514-L527 HydrophobicContact CG-CG 4.39Å; L527-Y530 WeakPolarHBondContact O-CE1 3.31Å; L527-F548 HydrophobicContact CD2-CE2 4.24Å; L527-F548 HydrophobicContact CD2-CZ 4.04Å; L527-A551 HydrophobicContact CD2-CB 3.65Å; L527-F553 VanDerWaalsContact CD1-O 3.3Å; L527-F553 WeakPolarHBondContact CD1-O 3.27Å; L527-A555 HydrophobicContact CD1-CB 4.21Å; L527-A555 HydrophobicContact CD2-CB 4.29Å; L527-I566 HydrophobicContact CD2-CG2 4.19Å
528	S	80.9	Confident	86.6	Confident	38 Å²	38	40.8 Å²	40.8	27%	0.266	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-34	-179.3	73.4	0	0	0	0	113.6	D526	D526-S528 PolarHBondContact O-N 2.48Å; D526-S528 WeakPolarHBondContact OD1-CB 3.48Å; D526-S528 PolarHBondContact OD1-N 3.42Å; D526-S528 PolarHBondContact OD1-OG 3.15Å; D526-S528 PolarHBondContact OD2-OG 2.85Å
529	T	82.1	Confident	86.2	Confident	64 Å²	64	44.8 Å²	44.8	39%	0.393	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-2.2	178.4	67.7	0	0	0	0	113.2	D526 K531	D526-T529 VanDerWaalsContact CG-OG1 3.28Å; D526-T529 PolarHBondContact OD1-N 2.96Å; D526-T529 WeakPolarHBondContact OD2-CB 3.34Å; D526-T529 VanDerWaalsContact OD2-CG2 3.3Å; D526-T529 WeakPolarHBondContact OD2-CG2 3.36Å; D526-T529 PolarHBondContact OD2-OG1 2.85Å; T529-K531 PolarHBondContact O-N 2.95Å
530	Y	85.4	Confident	86.1	Confident	80 Å²	80	44.2 Å²	44.2	31%	0.314	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	28	-174.8	-47.6	-69.3	0	0	0	113.7	D526 L527 S547 F548	D526-Y530 VanDerWaalsContact O-CA 3.26Å; D526-Y530 WeakPolarHBondContact O-CA 3.26Å; D526-Y530 PolarHBondContact O-N 3.25Å; L527-Y530 WeakPolarHBondContact O-CE1 3.31Å; Y530-S547 CarbonylContact O-C 3.5Å; Y530-S547 WeakPolarHBondContact O-CA 3.44Å; Y530-S547 WeakPolarHBondContact O-CB 3.23Å; Y530-F548 VanDerWaalsContact C-CE1 3.45Å; Y530-F548 VanDerWaalsContact CB-O 3.25Å; Y530-F548 WeakPolarHBondContact CB-O 3.29Å; Y530-F548 AromaticContact CD1-CD2 3.84Å; Y530-F548 HydrophobicContact CD1-CD2 3.84Å; Y530-F548 AromaticContact CD1-CE2 3.54Å; Y530-F548 HydrophobicContact CD1-CE2 3.54Å; Y530-F548 HydrophobicContact CD1-CZ 4.38Å; Y530-F548 HydrophobicContact CG-CD2 4.4Å; Y530-F548 HydrophobicContact CG-CE2 4.25Å; Y530-F548 WeakPolarHBondContact O-CD1 3.32Å; Y530-F548 PolarHBondContact O-N 2.91Å
531	K	85.3	Confident	86	Confident	99 Å²	99	43 Å²	43	43%	0.43	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	149.6	-176.4	-70.4	-179.3	-178.8	178.3	0	111.9	D526 T529 Y533	D526-K531 PolarHBondContact N-O 3.3Å; D526-K531 PolarHBondContact O-N 3.19Å; T529-K531 PolarHBondContact O-N 2.95Å; K531-Y533 HydrophobicContact CB-CE2 3.72Å; K531-Y533 VanDerWaalsContact CD-OH 3.26Å; K531-Y533 WeakPolarHBondContact CD-OH 3.47Å
532	V	87.1	Confident	85.8	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.9	173.1	-179.5	0	0	0	0	111.8	H523 L524 C525 E545 G546 F548 W590	H523-V532 HydrophobicContact CB-CG1 4.31Å; L524-V532 VanDerWaalsContact O-CA 3.32Å; L524-V532 WeakPolarHBondContact O-CA 3.49Å; C525-V532 HydrophobicContact CB-CG2 4.14Å; V532-E545 HydrophobicContact CB-CB 4.48Å; V532-E545 HydrophobicContact CG1-CB 4.28Å; V532-E545 PolarHBondContact O-N 2.87Å; V532-G546 PolarHBondContact N-O 3.05Å; V532-F548 HydrophobicContact CG2-CD1 3.75Å; V532-F548 HydrophobicContact CG2-CE1 3.63Å; V532-W590 HydrophobicContact CB-CZ2 4.2Å; V532-W590 HydrophobicContact CG2-CH2 4.06Å; V532-W590 HydrophobicContact CG2-CZ2 3.34Å
533	Y	86.9	Confident	85.5	Confident	35 Å²	35	46.9 Å²	46.9	14%	0.137	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.9	178.6	-55.7	-90.8	0	0	0	109	F508 H523 L524 K531 Q543	F508-Y533 HydrophobicContact CE1-CD2 4.19Å; F508-Y533 AromaticContact CE1-CE2 3.45Å; F508-Y533 HydrophobicContact CE1-CE2 3.45Å; F508-Y533 VanDerWaalsContact CE1-CE2 3.45Å; F508-Y533 AromaticContact CE1-CZ 3.92Å; F508-Y533 HydrophobicContact CE2-CE2 4.49Å; F508-Y533 AromaticContact CZ-CD2 3.71Å; F508-Y533 HydrophobicContact CZ-CD2 3.71Å; F508-Y533 HydrophobicContact CZ-CE1 4.43Å; F508-Y533 AromaticContact CZ-CE2 3.32Å; F508-Y533 HydrophobicContact CZ-CE2 3.32Å; F508-Y533 HydrophobicContact CZ-CG 4.41Å; F508-Y533 AromaticContact CZ-CZ 3.72Å; H523-Y533 CarbonylContact C-O 3.57Å; H523-Y533 VanDerWaalsContact CA-O 3.27Å; H523-Y533 WeakPolarHBondContact CA-O 3.06Å; L524-Y533 PolarHBondContact N-O 2.62Å; L524-Y533 PolarHBondContact O-N 3.47Å; K531-Y533 HydrophobicContact CB-CE2 3.72Å; K531-Y533 VanDerWaalsContact CD-OH 3.26Å; K531-Y533 WeakPolarHBondContact CD-OH 3.47Å; Y533-Q543 CarbonylContact C-O 3.6Å; Y533-Q543 VanDerWaalsContact CA-O 3.29Å; Y533-Q543 WeakPolarHBondContact CA-O 3.06Å
534	S	88.9	Confident	85.2	Confident	9 Å²	9	49.1 Å²	49.1	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	144.5	169.9	62.6	0	0	0	0	110	L522 W542 Q543 E545	L522-S534 CarbonylContact O-C 3.57Å; L522-S534 WeakPolarHBondContact O-CA 3.49Å; S534-W542 CarbonylContact O-C 3.55Å; S534-W542 VanDerWaalsContact O-CA 3.3Å; S534-W542 WeakPolarHBondContact O-CA 3.44Å; S534-W542 VanDerWaalsContact O-CE3 3.31Å; S534-Q543 PolarHBondContact N-O 3.16Å; S534-Q543 PolarHBondContact O-N 2.73Å; S534-Q543 PolarHBondContact OG-O 2.88Å; S534-E545 WeakPolarHBondContact CB-OE1 3.3Å; S534-E545 WeakPolarHBondContact OG-CG 3.39Å; S534-E545 PolarHBondContact OG-OE1 3.18Å
535	F	87.6	Confident	84.5	Confident	5 Å²	5	51 Å²	51	2%	0.022	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.2	172.6	174.1	-105.7	0	0	0	108.2	Y468 L500 I521 L522 P537 C540 W542	Y468-F535 HydrophobicContact CE1-CD1 4.2Å; Y468-F535 AromaticContact CE1-CE1 3.66Å; Y468-F535 HydrophobicContact CE1-CE1 3.66Å; Y468-F535 AromaticContact CZ-CE1 3.89Å; L500-F535 HydrophobicContact CD1-CE1 4.15Å; L500-F535 HydrophobicContact CD1-CZ 4.04Å; I521-F535 WeakPolarHBondContact CG2-O 3.33Å; L522-F535 HydrophobicContact CB-CB 4.19Å; L522-F535 HydrophobicContact CB-CD1 4.25Å; L522-F535 HydrophobicContact CD2-CB 4.41Å; L522-F535 HydrophobicContact CD2-CD1 4.18Å; L522-F535 PolarHBondContact N-O 3.46Å; L522-F535 PolarHBondContact O-N 2.91Å; F535-P537 VanDerWaalsContact O-CD 3.27Å; F535-P537 WeakPolarHBondContact O-CD 3.19Å; F535-C540 HydrophobicContact CE2-CB 4.26Å; F535-C540 HydrophobicContact CZ-CB 4.27Å; F535-W542 HydrophobicContact CB-CD2 3.87Å; F535-W542 HydrophobicContact CB-CE3 3.69Å; F535-W542 HydrophobicContact CB-CH2 3.56Å; F535-W542 HydrophobicContact CB-CZ2 3.79Å; F535-W542 HydrophobicContact CB-CZ3 3.54Å; F535-W542 AromaticContact CD2-CD1 3.83Å; F535-W542 AromaticContact CD2-CD2 3.85Å; F535-W542 HydrophobicContact CD2-CD2 3.85Å; F535-W542 AromaticContact CD2-CE2 3.47Å; F535-W542 VanDerWaalsContact CD2-CE2 3.47Å; F535-W542 HydrophobicContact CD2-CG 4.08Å; F535-W542 AromaticContact CD2-CZ2 3.88Å; F535-W542 HydrophobicContact CD2-CZ2 3.88Å; F535-W542 AromaticContact CD2-NE1 3.46Å; F535-W542 AromaticContact CE2-NE1 3.89Å; F535-W542 HydrophobicContact CG-CD2 4.3Å; F535-W542 AromaticContact CG-CE2 3.95Å; F535-W542 HydrophobicContact CG-CH2 4.19Å; F535-W542 AromaticContact CG-CZ2 3.93Å; F535-W542 HydrophobicContact CG-CZ2 3.93Å
536	C	86.7	Confident	83.8	Confident	34 Å²	34	53 Å²	53	23%	0.23	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	115	174.4	179.6	0	0	0	0	109.3	E538 T539 C540 V541	C536-E538 PolarHBondContact O-N 2.92Å; C536-T539 VanDerWaalsContact CB-OG1 3.3Å; C536-T539 WeakPolarHBondContact CB-OG1 3.48Å; C536-T539 PolarHBondContact SG-OG1 3.22Å; C536-C540 VanDerWaalsContact O-CA 3.29Å; C536-C540 WeakPolarHBondContact O-CA 3.45Å; C536-C540 PolarHBondContact O-N 3.21Å; C536-V541 PolarHBondContact N-O 3.4Å; C536-V541 VanDerWaalsContact N-O 3.07Å
537	P	80.9	Confident	83.4	Confident	34 Å²	34	56.5 Å²	56.5	22%	0.221	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.5	179	-28.9	40	0	0	0	114.2	Y468 N520 F535	Y468-P537 HydrophobicContact CE2-CG 4.35Å; Y468-P537 VanDerWaalsContact OH-CB 3.31Å; Y468-P537 WeakPolarHBondContact OH-CB 3.49Å; N520-P537 WeakPolarHBondContact O-CD 3.38Å; N520-P537 WeakPolarHBondContact O-CG 3.3Å; F535-P537 VanDerWaalsContact O-CD 3.27Å; F535-P537 WeakPolarHBondContact O-CD 3.19Å
538	E	80.9	Confident	83.1	Confident	178 Å²	178	56.7 Å²	56.7	83%	0.832	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-44.9	-175	-61.6	-175.6	172.1	0	0	112	C536	C536-E538 PolarHBondContact O-N 2.92Å
539	T	83.2	Confident	82.6	Confident	87 Å²	87	62.7 Å²	62.7	53%	0.534	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-15	-178.9	62.4	0	0	0	0	112.5	C536 V541	C536-T539 VanDerWaalsContact CB-OG1 3.3Å; C536-T539 WeakPolarHBondContact CB-OG1 3.48Å; C536-T539 PolarHBondContact SG-OG1 3.22Å; T539-V541 PolarHBondContact O-N 3.48Å; T539-V541 PolarHBondContact OG1-N 3.33Å
540	C	82.1	Confident	81.9	Confident	78 Å²	78	60.3 Å²	60.3	53%	0.527	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	29.8	-170.8	-64.3	0	0	0	0	113.1	F535 C536	F535-C540 HydrophobicContact CE2-CB 4.26Å; F535-C540 HydrophobicContact CZ-CB 4.27Å; C536-C540 VanDerWaalsContact O-CA 3.29Å; C536-C540 WeakPolarHBondContact O-CA 3.45Å; C536-C540 PolarHBondContact O-N 3.21Å
541	V	83.6	Confident	81.1	Confident	85 Å²	85	56.8 Å²	56.8	52%	0.515	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.2	-179.8	177.7	0	0	0	0	110.5	C536 T539	C536-V541 PolarHBondContact N-O 3.4Å; C536-V541 VanDerWaalsContact N-O 3.07Å; T539-V541 PolarHBondContact O-N 3.48Å; T539-V541 PolarHBondContact OG1-N 3.33Å
542	W	84.6	Confident	80.8	Confident	23 Å²	23	52 Å²	52	9%	0.087	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.9	171.9	-74.8	96.1	0	0	0	111.4	F487 F504 L524 S534 F535	F487-W542 HydrophobicContact CD1-CZ2 4.28Å; F487-W542 HydrophobicContact CE1-CH2 4.39Å; F487-W542 AromaticContact CE1-CZ2 3.48Å; F487-W542 HydrophobicContact CE1-CZ2 3.48Å; F487-W542 VanDerWaalsContact CE1-CZ2 3.48Å; F487-W542 HydrophobicContact CZ-CH2 4.37Å; F487-W542 AromaticContact CZ-CZ2 3.85Å; F487-W542 HydrophobicContact CZ-CZ2 3.85Å; F504-W542 HydrophobicContact CD2-CB 3.83Å; F504-W542 HydrophobicContact CD2-CG 4.1Å; F504-W542 HydrophobicContact CE2-CB 3.63Å; F504-W542 HydrophobicContact CE2-CG 4.35Å; L524-W542 HydrophobicContact CB-CZ3 4.44Å; L524-W542 HydrophobicContact CD1-CH2 3.31Å; L524-W542 HydrophobicContact CD1-CZ2 4.26Å; L524-W542 HydrophobicContact CD1-CZ3 3.78Å; L524-W542 HydrophobicContact CG-CH2 3.62Å; L524-W542 HydrophobicContact CG-CZ3 3.79Å; S534-W542 CarbonylContact O-C 3.55Å; S534-W542 VanDerWaalsContact O-CA 3.3Å; S534-W542 WeakPolarHBondContact O-CA 3.44Å; S534-W542 VanDerWaalsContact O-CE3 3.31Å; F535-W542 HydrophobicContact CB-CD2 3.87Å; F535-W542 HydrophobicContact CB-CE3 3.69Å; F535-W542 HydrophobicContact CB-CH2 3.56Å; F535-W542 HydrophobicContact CB-CZ2 3.79Å; F535-W542 HydrophobicContact CB-CZ3 3.54Å; F535-W542 AromaticContact CD2-CD1 3.83Å; F535-W542 AromaticContact CD2-CD2 3.85Å; F535-W542 HydrophobicContact CD2-CD2 3.85Å; F535-W542 AromaticContact CD2-CE2 3.47Å; F535-W542 VanDerWaalsContact CD2-CE2 3.47Å; F535-W542 HydrophobicContact CD2-CG 4.08Å; F535-W542 AromaticContact CD2-CZ2 3.88Å; F535-W542 HydrophobicContact CD2-CZ2 3.88Å; F535-W542 AromaticContact CD2-NE1 3.46Å; F535-W542 AromaticContact CE2-NE1 3.89Å; F535-W542 HydrophobicContact CG-CD2 4.3Å; F535-W542 AromaticContact CG-CE2 3.95Å; F535-W542 HydrophobicContact CG-CH2 4.19Å; F535-W542 AromaticContact CG-CZ2 3.93Å; F535-W542 HydrophobicContact CG-CZ2 3.93Å
543	Q	85.4	Confident	80.4	Confident	118 Å²	118	55.2 Å²	55.2	55%	0.551	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.6	175.4	175.5	173.9	-15.9	0	0	110.5	Y533 S534	Y533-Q543 CarbonylContact C-O 3.6Å; Y533-Q543 VanDerWaalsContact CA-O 3.29Å; Y533-Q543 WeakPolarHBondContact CA-O 3.06Å; S534-Q543 PolarHBondContact N-O 3.16Å; S534-Q543 PolarHBondContact O-N 2.73Å; S534-Q543 PolarHBondContact OG-O 2.88Å
544	G	83.5	Confident	80.1	Confident	54 Å²	54	55.5 Å²	55.5	56%	0.557	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	125.9	172.6	0	0	0	0	0	110.5
545	E	76.3	Confident	80.2	Confident	45 Å²	45	55.2 Å²	55.2	21%	0.21	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-3.9	-173.8	-67.9	-58.6	156	0	0	113.9	V532 S534 Y583	V532-E545 HydrophobicContact CB-CB 4.48Å; V532-E545 HydrophobicContact CG1-CB 4.28Å; V532-E545 PolarHBondContact O-N 2.87Å; S534-E545 WeakPolarHBondContact CB-OE1 3.3Å; S534-E545 WeakPolarHBondContact OG-CG 3.39Å; S534-E545 PolarHBondContact OG-OE1 3.18Å; E545-Y583 PolarHBondContact OE2-OH 3.14Å
546	G	75.3	Confident	80.3	Confident	41 Å²	41	55.1 Å²	55.1	42%	0.423	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	121.5	-162.2	178.1	0	0	0	0	0	113.1	V532	V532-G546 PolarHBondContact N-O 3.05Å
547	S	79.1	Confident	80.6	Confident	77 Å²	77	54.3 Å²	54.3	54%	0.538	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146	179.5	55.3	0	0	0	0	112.2	Y530	Y530-S547 CarbonylContact O-C 3.5Å; Y530-S547 WeakPolarHBondContact O-CA 3.44Å; Y530-S547 WeakPolarHBondContact O-CB 3.23Å
548	F	78.5	Confident	81.3	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.026	31%	0.307	C	S	.	.			trans	-93.1	165.5	168.6	46.7	-82.9	0	0	0	110.6	C525 D526 L527 Y530 V532 A551 W590	C525-F548 HydrophobicContact CB-CE1 4.32Å; D526-F548 WeakPolarHBondContact O-CZ 3.46Å; L527-F548 HydrophobicContact CD2-CE2 4.24Å; L527-F548 HydrophobicContact CD2-CZ 4.04Å; Y530-F548 VanDerWaalsContact C-CE1 3.45Å; Y530-F548 VanDerWaalsContact CB-O 3.25Å; Y530-F548 WeakPolarHBondContact CB-O 3.29Å; Y530-F548 AromaticContact CD1-CD2 3.84Å; Y530-F548 HydrophobicContact CD1-CD2 3.84Å; Y530-F548 AromaticContact CD1-CE2 3.54Å; Y530-F548 HydrophobicContact CD1-CE2 3.54Å; Y530-F548 HydrophobicContact CD1-CZ 4.38Å; Y530-F548 HydrophobicContact CG-CD2 4.4Å; Y530-F548 HydrophobicContact CG-CE2 4.25Å; Y530-F548 WeakPolarHBondContact O-CD1 3.32Å; Y530-F548 PolarHBondContact O-N 2.91Å; V532-F548 HydrophobicContact CG2-CD1 3.75Å; V532-F548 HydrophobicContact CG2-CE1 3.63Å; F548-A551 HydrophobicContact CD2-CB 3.91Å; F548-A551 HydrophobicContact CE2-CB 3.37Å; F548-A551 HydrophobicContact CZ-CB 4.38Å; F548-W590 HydrophobicContact CB-CD2 3.63Å; F548-W590 HydrophobicContact CB-CE3 3.7Å; F548-W590 HydrophobicContact CB-CG 4.11Å; F548-W590 HydrophobicContact CB-CH2 4.34Å; F548-W590 HydrophobicContact CB-CZ2 4.31Å; F548-W590 HydrophobicContact CB-CZ3 4.04Å; F548-W590 AromaticContact CD1-CH2 3.94Å; F548-W590 HydrophobicContact CD1-CH2 3.94Å; F548-W590 AromaticContact CD1-CZ2 3.79Å; F548-W590 HydrophobicContact CD1-CZ2 3.79Å; F548-W590 HydrophobicContact CD1-CZ3 4.42Å; F548-W590 HydrophobicContact CG-CH2 4.4Å; F548-W590 HydrophobicContact CG-CZ2 4.46Å; F548-W590 HydrophobicContact CG-CZ3 4.44Å
549	E	72.1	Confident	81.8	Confident	163 Å²	163	45.6 Å²	45.6	76%	0.762	28%	0.278	S	S	*	.	S	Bend	trans	-94.4	-31.5	-172.9	-61.4	-170.1	165.4	0	0	113
550	C	66.8	Low	82.1	Confident	15 Å²	15	42.7 Å²	42.7	10%	0.101	26%	0.26	C	S	.	.			trans	-142.3	132.8	-177.8	43.2	0	0	0	0	111.9	Y571 E579 Q581	C550-Y571 WeakPolarHBondContact CB-OH 3.39Å; C550-E579 VanDerWaalsContact CB-OE2 3.29Å; C550-E579 WeakPolarHBondContact CB-OE2 3.49Å; C550-Q581 WeakPolarHBondContact O-CG 3.45Å; C550-Q581 VanDerWaalsContact SG-CD 3.58Å; C550-Q581 WeakPolarHBondContact SG-CG 3.3Å; C550-Q581 PolarHBondContact SG-NE2 3.48Å
551	A	68.8	Low	82.2	Confident	5 Å²	5	42.6 Å²	42.6	4%	0.041	26%	0.264	C	S	.	.			trans	-157.3	142	156.4	0	0	0	0	0	110.4	L527 F548 A555 I566	L527-A551 HydrophobicContact CD2-CB 3.65Å; F548-A551 HydrophobicContact CD2-CB 3.91Å; F548-A551 HydrophobicContact CE2-CB 3.37Å; F548-A551 HydrophobicContact CZ-CB 4.38Å; A551-A555 HydrophobicContact CB-CB 4.41Å; A551-I566 HydrophobicContact CB-CG2 3.58Å
552	G	78.1	Confident	82.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.26	C	S	.	.			trans	-77.5	159.7	169.6	0	0	0	0	0	112.4	N554 A555 G568 D570	G552-N554 VanDerWaalsContact C-N 3.28Å; G552-N554 PolarHBondContact O-N 3.34Å; G552-A555 VanDerWaalsContact O-CB 3.3Å; G552-A555 WeakPolarHBondContact O-CB 3.29Å; G552-A555 PolarHBondContact O-N 2.65Å; G552-A555 VanDerWaalsContact O-N 3.15Å; G552-G568 PolarHBondContact N-O 2.74Å; G552-D570 CarbonylContact C-O 3.53Å; G552-D570 VanDerWaalsContact CA-O 3.28Å; G552-D570 WeakPolarHBondContact CA-O 3.42Å
553	F	78.8	Confident	82.7	Confident	67 Å²	67	45.3 Å²	45.3	29%	0.294	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.7	-176.6	-74.7	-71	0	0	0	114	L512 L527 D570	L512-F553 HydrophobicContact CD1-CD1 3.37Å; L512-F553 HydrophobicContact CD1-CE1 3.49Å; L512-F553 VanDerWaalsContact CD1-CE1 3.49Å; L512-F553 HydrophobicContact CD2-CB 3.76Å; L512-F553 HydrophobicContact CD2-CD1 3.39Å; L512-F553 HydrophobicContact CD2-CE1 4.37Å; L512-F553 HydrophobicContact CD2-CG 4.02Å; L512-F553 WeakPolarHBondContact CD2-O 3.23Å; L512-F553 HydrophobicContact CG-CD1 3.95Å; L527-F553 VanDerWaalsContact CD1-O 3.3Å; L527-F553 WeakPolarHBondContact CD1-O 3.27Å; F553-D570 WeakPolarHBondContact CD2-O 2.99Å; F553-D570 PolarHBondContact N-O 3.48Å
554	N	81.8	Confident	83	Confident	42 Å²	42	39.7 Å²	39.7	23%	0.225	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	37.3	177	-56.9	-68.4	0	0	0	112.1	G552 D570 T601 E602	G552-N554 VanDerWaalsContact C-N 3.28Å; G552-N554 PolarHBondContact O-N 3.34Å; N554-D570 PolarHBondContact ND2-OD1 3.35Å; N554-T601 WeakPolarHBondContact CB-OG1 3.49Å; N554-E602 HydrophobicContact CB-CG 3.78Å
555	A	89.5	Confident	83.5	Confident	2 Å²	2	37.2 Å²	37.2	2%	0.017	22%	0.219	C	C	.	.			trans	-60.4	147.2	174.8	0	0	0	0	0	111.6	K514 L527 A551 G552 I566 L567 G568	K514-A555 WeakPolarHBondContact CE-O 3.42Å; L527-A555 HydrophobicContact CD1-CB 4.21Å; L527-A555 HydrophobicContact CD2-CB 4.29Å; A551-A555 HydrophobicContact CB-CB 4.41Å; G552-A555 VanDerWaalsContact O-CB 3.3Å; G552-A555 WeakPolarHBondContact O-CB 3.29Å; G552-A555 PolarHBondContact O-N 2.65Å; G552-A555 VanDerWaalsContact O-N 3.15Å; A555-I566 HydrophobicContact CB-CG2 3.9Å; A555-L567 CarbonylContact C-O 3.58Å; A555-L567 WeakPolarHBondContact CA-O 3.45Å; A555-L567 WeakPolarHBondContact CB-O 3.34Å; A555-G568 VanDerWaalsContact CB-O 3.3Å; A555-G568 WeakPolarHBondContact CB-O 3.48Å
556	G	91.1	Very high	84.3	Confident	4 Å²	4	35.2 Å²	35.2	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	150	164.9	0	0	0	0	0	110.8	I566 L567 C605	G556-I566 WeakPolarHBondContact O-CA 3.34Å; G556-L567 PolarHBondContact N-O 2.89Å; G556-L567 PolarHBondContact O-N 3.31Å; G556-C605 WeakPolarHBondContact CA-SG 3.2Å
557	S	92.8	Very high	85.2	Confident	17 Å²	17	33.2 Å²	33.2	12%	0.119	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.5	176.7	62.7	0	0	0	0	111.6	K514 Y565 C605	K514-S557 VanDerWaalsContact CB-OG 3.3Å; K514-S557 WeakPolarHBondContact CB-OG 3.39Å; S557-Y565 CarbonylContact C-O 3.52Å; S557-Y565 VanDerWaalsContact CA-O 3.26Å; S557-Y565 WeakPolarHBondContact CA-O 3.48Å; S557-C605 PolarHBondContact N-SG 2.8Å
558	V	94.1	Very high	85.9	Confident	8 Å²	8	29.7 Å²	29.7	5%	0.048	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	127.8	179.9	169.2	0	0	0	0	110.6	I301 V560 I564 Y565 L567 C605 V607	I301-V558 HydrophobicContact CD1-CB 4.46Å; I301-V558 HydrophobicContact CD1-CG1 4.28Å; I301-V558 HydrophobicContact CG1-CG1 4.2Å; I301-V558 HydrophobicContact CG2-CG2 4.14Å; V558-V560 HydrophobicContact CG1-CG1 4.5Å; V558-I564 CarbonylContact O-C 3.51Å; V558-I564 WeakPolarHBondContact O-CA 3.41Å; V558-Y565 PolarHBondContact N-O 2.83Å; V558-Y565 PolarHBondContact O-N 2.87Å; V558-L567 HydrophobicContact CG2-CD1 4.48Å; V558-C605 HydrophobicContact CG2-CB 3.97Å; V558-V607 HydrophobicContact CG1-CG2 3.15Å
559	G	92.3	Very high	86.4	Confident	21 Å²	21	29.4 Å²	29.4	22%	0.216	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.3	168.5	0	0	0	0	0	110.6
560	V	89.6	Confident	87	Confident	25 Å²	25	21.6 Å²	21.6	15%	0.152	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	136	176.9	64.1	0	0	0	0	111	L320 V558 N562 R563 Y565 V607	L320-V560 HydrophobicContact CD1-CB 4.24Å; L320-V560 HydrophobicContact CD1-CG1 3.67Å; L320-V560 HydrophobicContact CD1-CG2 3.63Å; L320-V560 HydrophobicContact CD2-CG1 3.82Å; L320-V560 HydrophobicContact CG-CG1 4.44Å; V558-V560 HydrophobicContact CG1-CG1 4.5Å; V560-N562 PolarHBondContact O-N 3.1Å; V560-N562 VanDerWaalsContact O-N 3.1Å; V560-R563 PolarHBondContact N-O 2.7Å; V560-R563 PolarHBondContact O-N 2.62Å; V560-R563 VanDerWaalsContact O-O 3.11Å; V560-Y565 HydrophobicContact CG1-CD2 4.07Å; V560-Y565 HydrophobicContact CG1-CE2 3.72Å; V560-V607 HydrophobicContact CB-CG2 4.01Å; V560-V607 HydrophobicContact CG2-CG1 4.08Å; V560-V607 HydrophobicContact CG2-CG2 4.32Å
561	A	83.4	Confident	87.8	Confident	76 Å²	76	23.8 Å²	23.8	63%	0.628	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	-111.1	-175.5	0	0	0	0	0	112.4	V518 N519	V518-A561 WeakPolarHBondContact CG1-O 3.34Å; N519-A561 PolarHBondContact OD1-O 3.35Å
562	N	87.4	Confident	88.2	Confident	78 Å²	78	25.2 Å²	25.2	42%	0.417	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	21.7	177.3	-69.8	4.2	0	0	0	112.3	N519 V560 S585	N519-N562 VanDerWaalsContact CG-OD1 3.24Å; N519-N562 PolarHBondContact ND2-OD1 2.96Å; N519-N562 PolarHBondContact OD1-OD1 3.25Å; V560-N562 PolarHBondContact O-N 3.1Å; V560-N562 VanDerWaalsContact O-N 3.1Å; N562-S585 PolarHBondContact O-N 3.48Å; N562-S585 PolarHBondContact O-OG 2.89Å
563	R	91.5	Very high	87.9	Confident	87 Å²	87	28.2 Å²	28.2	33%	0.328	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144	-171.4	-64.7	179.3	-174.4	171.8	2	112.6	V518 V560 Y565 V582 Y583 H584	V518-R563 WeakPolarHBondContact CG2-O 3.41Å; V560-R563 PolarHBondContact N-O 2.7Å; V560-R563 PolarHBondContact O-N 2.62Å; V560-R563 VanDerWaalsContact O-O 3.11Å; R563-Y565 HydrophobicContact CB-CD2 4.24Å; R563-Y565 HydrophobicContact CB-CE2 3.58Å; R563-Y565 VanDerWaalsContact CD-OH 3.3Å; R563-Y565 WeakPolarHBondContact CD-OH 3.29Å; R563-Y565 PolarHBondContact NH1-OH 3Å; R563-V582 HydrophobicContact CB-CG1 4.03Å; R563-V582 HydrophobicContact CG-CG1 4.13Å; R563-Y583 CarbonylContact C-O 3.6Å; R563-Y583 WeakPolarHBondContact CA-O 3.45Å; R563-H584 PolarHBondContact NE-CE1 3.17Å; R563-H584 VanDerWaalsContact NE-CE1 3.26Å
564	I	92.7	Very high	88	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.4	168.3	-59.1	169.8	0	0	0	107.7	V516 V518 H523 V558 I566 V582 Y583 W590	V516-I564 HydrophobicContact CG2-CB 4.37Å; V516-I564 HydrophobicContact CG2-CD1 3.79Å; V516-I564 HydrophobicContact CG2-CG1 3.84Å; V516-I564 HydrophobicContact CG2-CG2 3.71Å; V518-I564 HydrophobicContact CG2-CD1 4.27Å; V518-I564 HydrophobicContact CG2-CG1 3.56Å; H523-I564 HydrophobicContact CB-CD1 3.58Å; H523-I564 WeakPolarHBondContact CD2-CD1 3.35Å; V558-I564 CarbonylContact O-C 3.51Å; V558-I564 WeakPolarHBondContact O-CA 3.41Å; I564-I566 HydrophobicContact CG2-CD1 4.3Å; I564-V582 CarbonylContact O-C 3.48Å; I564-V582 VanDerWaalsContact O-CA 3.26Å; I564-V582 WeakPolarHBondContact O-CA 3.27Å; I564-Y583 HydrophobicContact CD1-CD1 3.98Å; I564-Y583 HydrophobicContact CG1-CD1 4.42Å; I564-Y583 PolarHBondContact N-O 3.2Å; I564-Y583 PolarHBondContact O-N 2.95Å; I564-W590 HydrophobicContact CG2-CH2 4.39Å
565	Y	93.7	Very high	88.2	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.6	177	-67.8	-99.3	0	0	0	109	I301 Y318 L320 S557 V558 V560 R563 V580 Q581 V582	I301-Y565 HydrophobicContact CD1-CD1 3.7Å; I301-Y565 HydrophobicContact CD1-CD2 3.66Å; I301-Y565 HydrophobicContact CD1-CE1 4.1Å; I301-Y565 HydrophobicContact CD1-CE2 4.06Å; I301-Y565 HydrophobicContact CD1-CG 3.48Å; I301-Y565 VanDerWaalsContact CD1-CG 3.48Å; Y318-Y565 HydrophobicContact CD1-CE1 4.3Å; Y318-Y565 HydrophobicContact CE1-CD1 4.41Å; Y318-Y565 AromaticContact CE1-CE1 3.53Å; Y318-Y565 HydrophobicContact CE1-CE1 3.53Å; Y318-Y565 AromaticContact CE1-CZ 3.94Å; L320-Y565 HydrophobicContact CD2-CE2 3.83Å; S557-Y565 CarbonylContact C-O 3.52Å; S557-Y565 VanDerWaalsContact CA-O 3.26Å; S557-Y565 WeakPolarHBondContact CA-O 3.48Å; V558-Y565 PolarHBondContact N-O 2.83Å; V558-Y565 PolarHBondContact O-N 2.87Å; V560-Y565 HydrophobicContact CG1-CD2 4.07Å; V560-Y565 HydrophobicContact CG1-CE2 3.72Å; R563-Y565 HydrophobicContact CB-CD2 4.24Å; R563-Y565 HydrophobicContact CB-CE2 3.58Å; R563-Y565 VanDerWaalsContact CD-OH 3.3Å; R563-Y565 WeakPolarHBondContact CD-OH 3.29Å; R563-Y565 PolarHBondContact NH1-OH 3Å; Y565-V580 HydrophobicContact CD1-CG1 4.33Å; Y565-Q581 WeakPolarHBondContact CA-O 3.33Å; Y565-V582 HydrophobicContact CD1-CG1 4.46Å; Y565-V582 HydrophobicContact CD1-CG2 3.44Å; Y565-V582 VanDerWaalsContact CD1-CG2 3.44Å; Y565-V582 HydrophobicContact CE1-CB 4.45Å; Y565-V582 HydrophobicContact CE1-CG1 4.13Å; Y565-V582 HydrophobicContact CE1-CG2 3.41Å; Y565-V582 VanDerWaalsContact CE1-CG2 3.41Å; Y565-V582 HydrophobicContact CE2-CG1 4.43Å; Y565-V582 HydrophobicContact CG-CG2 4.25Å
566	I	93.6	Very high	88.2	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.9	167	-56.4	-62	0	0	0	107.3	C525 L527 A551 A555 G556 I564 V580 Q581 W590	C525-I566 HydrophobicContact CB-CD1 3.97Å; L527-I566 HydrophobicContact CD2-CG2 4.19Å; A551-I566 HydrophobicContact CB-CG2 3.58Å; A555-I566 HydrophobicContact CB-CG2 3.9Å; G556-I566 WeakPolarHBondContact O-CA 3.34Å; I564-I566 HydrophobicContact CG2-CD1 4.3Å; I566-V580 WeakPolarHBondContact O-CA 3.44Å; I566-Q581 HydrophobicContact CB-CB 4.37Å; I566-Q581 PolarHBondContact N-O 3.13Å; I566-Q581 PolarHBondContact O-N 3.47Å; I566-W590 HydrophobicContact CG1-CH2 3.96Å; I566-W590 HydrophobicContact CG1-CZ3 3.93Å
567	L	93.8	Very high	88.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.2	-162.1	-59.2	158.7	0	0	0	109.4	I301 I303 W325 A555 G556 V558 V580 M596 F603 C605	I301-L567 HydrophobicContact CG2-CD1 3.95Å; I303-L567 HydrophobicContact CD1-CD1 4.21Å; W325-L567 HydrophobicContact CH2-CD2 4Å; W325-L567 HydrophobicContact CZ2-CD2 4.15Å; A555-L567 CarbonylContact C-O 3.58Å; A555-L567 WeakPolarHBondContact CA-O 3.45Å; A555-L567 WeakPolarHBondContact CB-O 3.34Å; G556-L567 PolarHBondContact N-O 2.89Å; G556-L567 PolarHBondContact O-N 3.31Å; V558-L567 HydrophobicContact CG2-CD1 4.48Å; L567-V580 HydrophobicContact CD2-CB 4.26Å; L567-V580 HydrophobicContact CD2-CG1 3.49Å; L567-V580 VanDerWaalsContact CD2-CG1 3.49Å; L567-V580 HydrophobicContact CD2-CG2 3.85Å; L567-M596 HydrophobicContact CB-SD 4.14Å; L567-F603 HydrophobicContact CB-CE2 4.22Å; L567-F603 HydrophobicContact CB-CZ 3.79Å; L567-F603 WeakPolarHBondContact O-CZ 3.36Å; L567-C605 HydrophobicContact CD1-CB 4.25Å
568	G	92.6	Very high	88.2	Confident	2 Å²	2	41 Å²	41	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.5	-140.5	170	0	0	0	0	0	115.8	G552 A555 T577 E579 M596	G552-G568 PolarHBondContact N-O 2.74Å; A555-G568 VanDerWaalsContact CB-O 3.3Å; A555-G568 WeakPolarHBondContact CB-O 3.48Å; G568-T577 VanDerWaalsContact CA-O 3.3Å; G568-T577 WeakPolarHBondContact CA-O 3.35Å; G568-E579 PolarHBondContact N-O 2.89Å; G568-M596 VanDerWaalsContact CA-CE 3.43Å
569	G	89.1	Confident	88.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.6	-166.2	-176.9	0	0	0	0	0	112.8	I576 T577 L600	G569-I576 WeakPolarHBondContact O-CA 3.15Å; G569-I576 WeakPolarHBondContact O-CG2 3.47Å; G569-T577 PolarHBondContact O-N 2.81Å; G569-L600 PolarHBondContact N-O 3.15Å
570	D	86.1	Confident	88.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.5	178.9	62.3	-80.1	0	0	0	113	R369 G552 F553 N554 E575 I576 T601	R369-D570 WeakPolarHBondContact CG-OD2 3.41Å; R369-D570 IonicContact NE-OD2 2.8Å; R369-D570 PolarHBondContact NE-OD2 3.06Å; G552-D570 CarbonylContact C-O 3.53Å; G552-D570 VanDerWaalsContact CA-O 3.28Å; G552-D570 WeakPolarHBondContact CA-O 3.42Å; F553-D570 WeakPolarHBondContact CD2-O 2.99Å; F553-D570 PolarHBondContact N-O 3.48Å; N554-D570 PolarHBondContact ND2-OD1 3.35Å; D570-E575 WeakPolarHBondContact CA-O 3.49Å; D570-I576 HydrophobicContact CB-CG1 4.49Å; D570-T601 PolarHBondContact OD1-OG1 2.93Å
571	Y	83.6	Confident	88.3	Confident	60 Å²	60	41.6 Å²	41.6	24%	0.235	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-31.1	168	-63.8	-64.3	0	0	0	111.5	R369 C550 E575 T577 E579	R369-Y571 PolarHBondContact NH2-O 3.17Å; C550-Y571 WeakPolarHBondContact CB-OH 3.39Å; Y571-E575 HydrophobicContact CD2-CG 4.16Å; Y571-E575 PolarHBondContact N-O 3.15Å; Y571-T577 HydrophobicContact CD2-CG2 4.48Å; Y571-T577 HydrophobicContact CE2-CG2 3.88Å; Y571-E579 PolarHBondContact OH-OE2 2.93Å
572	S	77.4	Confident	88.7	Confident	35 Å²	35	38 Å²	38	25%	0.245	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	165.4	171.5	73.6	0	0	0	0	109.4	D574 E575	S572-D574 PolarHBondContact O-N 3.28Å; S572-E575 CarbonylContact O-C 3.49Å; S572-E575 PolarHBondContact O-N 3.24Å; S572-E575 WeakPolarHBondContact OG-CB 3.39Å; S572-E575 PolarHBondContact OG-N 3.27Å
573	P	71.6	Confident	88.8	Confident	63 Å²	63	34.4 Å²	34.4	41%	0.409	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.1	-178	-28.5	36.4	0	0	0	115.5	V368	V368-P573 HydrophobicContact CB-CB 4.48Å; V368-P573 HydrophobicContact CG1-CB 4Å; V368-P573 HydrophobicContact CG1-CG 4.43Å
574	D	79.4	Confident	88.6	Confident	162 Å²	162	31.4 Å²	31.4	87%	0.866	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-0.9	179.2	-58.3	-52.3	0	0	0	112.9	S572	S572-D574 PolarHBondContact O-N 3.28Å
575	E	87.3	Confident	88.1	Confident	108 Å²	108	33 Å²	33	51%	0.505	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	83.9	-173.3	-167.3	178.6	-167.9	0	0	110.3	D570 Y571 S572	D570-E575 WeakPolarHBondContact CA-O 3.49Å; Y571-E575 HydrophobicContact CD2-CG 4.16Å; Y571-E575 PolarHBondContact N-O 3.15Å; S572-E575 CarbonylContact O-C 3.49Å; S572-E575 PolarHBondContact O-N 3.24Å; S572-E575 WeakPolarHBondContact OG-CB 3.39Å; S572-E575 PolarHBondContact OG-N 3.27Å
576	I	89.4	Confident	87.3	Confident	64 Å²	64	36.4 Å²	36.4	33%	0.328	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.3	176.4	-54.7	172.6	0	0	0	108.5	G569 D570 P599 T601	G569-I576 WeakPolarHBondContact O-CA 3.15Å; G569-I576 WeakPolarHBondContact O-CG2 3.47Å; D570-I576 HydrophobicContact CB-CG1 4.49Å; I576-P599 HydrophobicContact CB-CB 4.32Å; I576-P599 HydrophobicContact CG2-CB 3.95Å; I576-P599 WeakPolarHBondContact O-CB 3.49Å; I576-T601 HydrophobicContact CD1-CG2 3.95Å; I576-T601 HydrophobicContact CG1-CG2 4.15Å; I576-T601 HydrophobicContact CG2-CG2 4.35Å
577	T	91.3	Very high	86.7	Confident	11 Å²	11	41.6 Å²	41.6	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	150.7	-177.3	-177.7	0	0	0	0	112.6	G568 G569 Y571 E579 P599 L600	G568-T577 VanDerWaalsContact CA-O 3.3Å; G568-T577 WeakPolarHBondContact CA-O 3.35Å; G569-T577 PolarHBondContact O-N 2.81Å; Y571-T577 HydrophobicContact CD2-CG2 4.48Å; Y571-T577 HydrophobicContact CE2-CG2 3.88Å; T577-E579 VanDerWaalsContact OG1-CB 3.3Å; T577-E579 WeakPolarHBondContact OG1-CB 3.28Å; T577-E579 VanDerWaalsContact OG1-CD 3.27Å; T577-E579 WeakPolarHBondContact OG1-CG 3.5Å; T577-E579 PolarHBondContact OG1-N 3.31Å; T577-E579 VanDerWaalsContact OG1-N 3.08Å; T577-E579 PolarHBondContact OG1-OE2 2.71Å; T577-P599 WeakPolarHBondContact O-CA 3.42Å; T577-L600 PolarHBondContact O-N 3.49Å
578	D	92.7	Very high	86.2	Confident	56 Å²	56	43.4 Å²	43.4	30%	0.299	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	4	169	55.8	-5.5	0	0	0	113	P595 M596 P599	D578-P595 HydrophobicContact CB-CB 4.38Å; D578-P595 CarbonylContact O-C 3.58Å; D578-P595 WeakPolarHBondContact O-CA 3.28Å; D578-P595 WeakPolarHBondContact O-CB 3.38Å; D578-M596 HydrophobicContact CB-CB 4.07Å; D578-M596 PolarHBondContact O-N 3.17Å; D578-P599 HydrophobicContact CB-CB 4.14Å
579	E	92.7	Very high	85.9	Confident	62 Å²	62	48.9 Å²	48.9	29%	0.29	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	145.6	-178.4	-71	164.7	168.7	0	0	112.1	C550 G568 Y571 T577	C550-E579 VanDerWaalsContact CB-OE2 3.29Å; C550-E579 WeakPolarHBondContact CB-OE2 3.49Å; G568-E579 PolarHBondContact N-O 2.89Å; Y571-E579 PolarHBondContact OH-OE2 2.93Å; T577-E579 VanDerWaalsContact OG1-CB 3.3Å; T577-E579 WeakPolarHBondContact OG1-CB 3.28Å; T577-E579 VanDerWaalsContact OG1-CD 3.27Å; T577-E579 WeakPolarHBondContact OG1-CG 3.5Å; T577-E579 PolarHBondContact OG1-N 3.31Å; T577-E579 VanDerWaalsContact OG1-N 3.08Å; T577-E579 PolarHBondContact OG1-OE2 2.71Å
580	V	92.9	Very high	85.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123	179.2	-176.1	0	0	0	0	109.7	W325 Y565 I566 L567 V582 E592 V593 M596	W325-V580 HydrophobicContact CZ2-CG2 3.91Å; Y565-V580 HydrophobicContact CD1-CG1 4.33Å; I566-V580 WeakPolarHBondContact O-CA 3.44Å; L567-V580 HydrophobicContact CD2-CB 4.26Å; L567-V580 HydrophobicContact CD2-CG1 3.49Å; L567-V580 VanDerWaalsContact CD2-CG1 3.49Å; L567-V580 HydrophobicContact CD2-CG2 3.85Å; V580-V582 HydrophobicContact CG1-CG2 4.31Å; V580-E592 WeakPolarHBondContact O-CA 3.15Å; V580-V593 HydrophobicContact CB-CG2 3.7Å; V580-V593 HydrophobicContact CG1-CG2 3.39Å; V580-V593 PolarHBondContact O-N 2.9Å; V580-M596 HydrophobicContact CG2-CG 3.7Å
581	Q	91.6	Very high	86.1	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.019	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.5	177.7	-71.6	-72.8	-45.2	0	0	109.9	C550 Y565 I566 W590	C550-Q581 WeakPolarHBondContact O-CG 3.45Å; C550-Q581 VanDerWaalsContact SG-CD 3.58Å; C550-Q581 WeakPolarHBondContact SG-CG 3.3Å; C550-Q581 PolarHBondContact SG-NE2 3.48Å; Y565-Q581 WeakPolarHBondContact CA-O 3.33Å; I566-Q581 HydrophobicContact CB-CB 4.37Å; I566-Q581 PolarHBondContact N-O 3.13Å; I566-Q581 PolarHBondContact O-N 3.47Å; Q581-W590 HydrophobicContact CB-CE3 3.96Å; Q581-W590 HydrophobicContact CB-CZ3 4.1Å
582	V	92.2	Very high	86.3	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.7	-178.9	-174	0	0	0	0	110.6	R563 I564 Y565 V580 W590 E591 V593	R563-V582 HydrophobicContact CB-CG1 4.03Å; R563-V582 HydrophobicContact CG-CG1 4.13Å; I564-V582 CarbonylContact O-C 3.48Å; I564-V582 VanDerWaalsContact O-CA 3.26Å; I564-V582 WeakPolarHBondContact O-CA 3.27Å; Y565-V582 HydrophobicContact CD1-CG1 4.46Å; Y565-V582 HydrophobicContact CD1-CG2 3.44Å; Y565-V582 VanDerWaalsContact CD1-CG2 3.44Å; Y565-V582 HydrophobicContact CE1-CB 4.45Å; Y565-V582 HydrophobicContact CE1-CG1 4.13Å; Y565-V582 HydrophobicContact CE1-CG2 3.41Å; Y565-V582 VanDerWaalsContact CE1-CG2 3.41Å; Y565-V582 HydrophobicContact CE2-CG1 4.43Å; Y565-V582 HydrophobicContact CG-CG2 4.25Å; V580-V582 HydrophobicContact CG1-CG2 4.31Å; V582-W590 CarbonylContact O-C 3.42Å; V582-W590 WeakPolarHBondContact O-CA 3.3Å; V582-E591 HydrophobicContact CB-CG 4.14Å; V582-E591 PolarHBondContact N-O 3.33Å; V582-E591 PolarHBondContact O-N 2.88Å; V582-V593 HydrophobicContact CB-CG1 4.01Å; V582-V593 HydrophobicContact CG2-CB 4.17Å; V582-V593 HydrophobicContact CG2-CG1 3.53Å; V582-V593 HydrophobicContact CG2-CG2 3.52Å
583	Y	89.8	Confident	86.9	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.1	168.4	-178.9	-109.9	0	0	0	110.4	E545 R563 I564 W590	E545-Y583 PolarHBondContact OE2-OH 3.14Å; R563-Y583 CarbonylContact C-O 3.6Å; R563-Y583 WeakPolarHBondContact CA-O 3.45Å; I564-Y583 HydrophobicContact CD1-CD1 3.98Å; I564-Y583 HydrophobicContact CG1-CD1 4.42Å; I564-Y583 PolarHBondContact N-O 3.2Å; I564-Y583 PolarHBondContact O-N 2.95Å; Y583-W590 VanDerWaalsContact CB-CZ2 3.47Å; Y583-W590 AromaticContact CD2-CD1 3.71Å; Y583-W590 HydrophobicContact CD2-CD2 4Å; Y583-W590 AromaticContact CD2-CE2 3.55Å; Y583-W590 HydrophobicContact CD2-CG 4.08Å; Y583-W590 HydrophobicContact CD2-CZ2 4.01Å; Y583-W590 AromaticContact CD2-NE1 3.33Å; Y583-W590 VanDerWaalsContact CD2-NE1 3.33Å; Y583-W590 AromaticContact CE2-NE1 3.96Å; Y583-W590 HydrophobicContact CG-CD2 4.32Å; Y583-W590 AromaticContact CG-CE2 3.87Å; Y583-W590 HydrophobicContact CG-CH2 4.45Å; Y583-W590 AromaticContact CG-CZ2 3.89Å; Y583-W590 HydrophobicContact CG-CZ2 3.89Å
584	H	87.8	Confident	87.8	Confident	25 Å²	25	55.3 Å²	55.3	12%	0.116	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	106	173.9	-68	-109.2	0	0	0	109.5	R563 G586 R587 G588 Q589 E591	R563-H584 PolarHBondContact NE-CE1 3.17Å; R563-H584 VanDerWaalsContact NE-CE1 3.26Å; H584-G586 PolarHBondContact O-N 2.82Å; H584-R587 HydrophobicContact CB-CG 3.58Å; H584-R587 VanDerWaalsContact CD2-CZ 3.5Å; H584-R587 PolarHBondContact CD2-NH2 3.49Å; H584-R587 PolarHBondContact NE2-NH2 3.35Å; H584-R587 PolarHBondContact O-N 2.9Å; H584-R587 VanDerWaalsContact O-N 3.11Å; H584-G588 PolarHBondContact O-N 2.8Å; H584-Q589 PolarHBondContact N-O 2.94Å; H584-E591 IonicContact CD2-OE1 2.62Å; H584-E591 IonicContact CE1-OE1 3.43Å; H584-E591 PolarHBondContact CE1-OE1 2.79Å; H584-E591 IonicContact NE2-OE1 3.94Å; H584-E591 PolarHBondContact NE2-OE1 3.08Å; H584-E591 IonicContact NE2-OE2 3.9Å
585	S	80.9	Confident	88.4	Confident	34 Å²	34	50.8 Å²	50.8	24%	0.238	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.7	-175.3	70.8	0	0	0	0	112.9	N519 N562 R587	N519-S585 PolarHBondContact ND2-OG 2.88Å; N562-S585 PolarHBondContact O-N 3.48Å; N562-S585 PolarHBondContact O-OG 2.89Å; S585-R587 VanDerWaalsContact C-N 3.31Å; S585-R587 PolarHBondContact O-N 3.12Å
586	G	77.4	Confident	88.7	Confident	73 Å²	73	45.8 Å²	45.8	75%	0.753	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.8	178.9	0	0	0	0	0	114.7	H584	H584-G586 PolarHBondContact O-N 2.82Å
587	R	82.1	Confident	88.9	Confident	112 Å²	112	45.3 Å²	45.3	42%	0.423	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-9.8	179.3	62.4	177.4	-169.1	-160.5	7.5	113.8	H584 S585 Q589 E591	H584-R587 HydrophobicContact CB-CG 3.58Å; H584-R587 VanDerWaalsContact CD2-CZ 3.5Å; H584-R587 PolarHBondContact CD2-NH2 3.49Å; H584-R587 PolarHBondContact NE2-NH2 3.35Å; H584-R587 PolarHBondContact O-N 2.9Å; H584-R587 VanDerWaalsContact O-N 3.11Å; S585-R587 VanDerWaalsContact C-N 3.31Å; S585-R587 PolarHBondContact O-N 3.12Å; R587-Q589 HydrophobicContact CG-CB 4.04Å; R587-Q589 HydrophobicContact CG-CG 4.42Å; R587-E591 IonicContact CZ-OE2 3.2Å; R587-E591 IonicContact NH1-OE2 3.83Å; R587-E591 PolarHBondContact NH1-OE2 3.17Å; R587-E591 IonicContact NH2-OE1 3.68Å; R587-E591 IonicContact NH2-OE2 2.79Å; R587-E591 PolarHBondContact NH2-OE2 2.72Å
588	G	82.5	Confident	88.9	Confident	38 Å²	38	48.1 Å²	48.1	39%	0.392	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	37	-179.1	0	0	0	0	0	113.6	H584	H584-G588 PolarHBondContact O-N 2.8Å
589	Q	86.2	Confident	88.8	Confident	116 Å²	116	48.5 Å²	48.5	54%	0.542	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.1	-174.8	-67	176.9	-9.8	0	0	112.3	H584 R587	H584-Q589 PolarHBondContact N-O 2.94Å; R587-Q589 HydrophobicContact CG-CB 4.04Å; R587-Q589 HydrophobicContact CG-CG 4.42Å
590	W	88.3	Confident	88.7	Confident	40 Å²	40	45.7 Å²	45.7	15%	0.152	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	144.4	169.8	-69.2	90.8	0	0	0	110.9	V532 F548 I564 I566 Q581 V582 Y583	V532-W590 HydrophobicContact CB-CZ2 4.2Å; V532-W590 HydrophobicContact CG2-CH2 4.06Å; V532-W590 HydrophobicContact CG2-CZ2 3.34Å; F548-W590 HydrophobicContact CB-CD2 3.63Å; F548-W590 HydrophobicContact CB-CE3 3.7Å; F548-W590 HydrophobicContact CB-CG 4.11Å; F548-W590 HydrophobicContact CB-CH2 4.34Å; F548-W590 HydrophobicContact CB-CZ2 4.31Å; F548-W590 HydrophobicContact CB-CZ3 4.04Å; F548-W590 AromaticContact CD1-CH2 3.94Å; F548-W590 HydrophobicContact CD1-CH2 3.94Å; F548-W590 AromaticContact CD1-CZ2 3.79Å; F548-W590 HydrophobicContact CD1-CZ2 3.79Å; F548-W590 HydrophobicContact CD1-CZ3 4.42Å; F548-W590 HydrophobicContact CG-CH2 4.4Å; F548-W590 HydrophobicContact CG-CZ2 4.46Å; F548-W590 HydrophobicContact CG-CZ3 4.44Å; I564-W590 HydrophobicContact CG2-CH2 4.39Å; I566-W590 HydrophobicContact CG1-CH2 3.96Å; I566-W590 HydrophobicContact CG1-CZ3 3.93Å; Q581-W590 HydrophobicContact CB-CE3 3.96Å; Q581-W590 HydrophobicContact CB-CZ3 4.1Å; V582-W590 CarbonylContact O-C 3.42Å; V582-W590 WeakPolarHBondContact O-CA 3.3Å; Y583-W590 VanDerWaalsContact CB-CZ2 3.47Å; Y583-W590 AromaticContact CD2-CD1 3.71Å; Y583-W590 HydrophobicContact CD2-CD2 4Å; Y583-W590 AromaticContact CD2-CE2 3.55Å; Y583-W590 HydrophobicContact CD2-CG 4.08Å; Y583-W590 HydrophobicContact CD2-CZ2 4.01Å; Y583-W590 AromaticContact CD2-NE1 3.33Å; Y583-W590 VanDerWaalsContact CD2-NE1 3.33Å; Y583-W590 AromaticContact CE2-NE1 3.96Å; Y583-W590 HydrophobicContact CG-CD2 4.32Å; Y583-W590 AromaticContact CG-CE2 3.87Å; Y583-W590 HydrophobicContact CG-CH2 4.45Å; Y583-W590 AromaticContact CG-CZ2 3.89Å; Y583-W590 HydrophobicContact CG-CZ2 3.89Å
591	E	90.1	Very high	88.5	Confident	66 Å²	66	45.8 Å²	45.8	31%	0.308	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.8	168.8	65.6	178.9	-172.4	0	0	110.3	V582 H584 R587 V593	V582-E591 HydrophobicContact CB-CG 4.14Å; V582-E591 PolarHBondContact N-O 3.33Å; V582-E591 PolarHBondContact O-N 2.88Å; H584-E591 IonicContact CD2-OE1 2.62Å; H584-E591 IonicContact CE1-OE1 3.43Å; H584-E591 PolarHBondContact CE1-OE1 2.79Å; H584-E591 IonicContact NE2-OE1 3.94Å; H584-E591 PolarHBondContact NE2-OE1 3.08Å; H584-E591 IonicContact NE2-OE2 3.9Å; R587-E591 IonicContact CZ-OE2 3.2Å; R587-E591 IonicContact NH1-OE2 3.83Å; R587-E591 PolarHBondContact NH1-OE2 3.17Å; R587-E591 IonicContact NH2-OE1 3.68Å; R587-E591 IonicContact NH2-OE2 2.79Å; R587-E591 PolarHBondContact NH2-OE2 2.72Å; E591-V593 HydrophobicContact CG-CG1 3.85Å
592	E	89.6	Confident	88	Confident	118 Å²	118	47.4 Å²	47.4	55%	0.551	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.8	164.6	-165	-178.3	161.2	0	0	108.9	V580	V580-E592 WeakPolarHBondContact O-CA 3.15Å
593	V	89.9	Confident	87.8	Confident	18 Å²	18	48.1 Å²	48.1	11%	0.109	27%	0.27	C	S	.	.			trans	-116.8	-174.3	177.8	-57.4	0	0	0	0	110.7	V580 V582 E591	V580-V593 HydrophobicContact CB-CG2 3.7Å; V580-V593 HydrophobicContact CG1-CG2 3.39Å; V580-V593 PolarHBondContact O-N 2.9Å; V582-V593 HydrophobicContact CB-CG1 4.01Å; V582-V593 HydrophobicContact CG2-CB 4.17Å; V582-V593 HydrophobicContact CG2-CG1 3.53Å; V582-V593 HydrophobicContact CG2-CG2 3.52Å; E591-V593 HydrophobicContact CG-CG1 3.85Å
594	T	89	Confident	87.8	Confident	52 Å²	52	49.2 Å²	49.2	32%	0.319	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-52.6	125.2	179.4	51.6	0	0	0	0	111.4	D323 W325	D323-T594 PolarHBondContact OD1-OG1 3.07Å; W325-T594 PolarHBondContact NE1-O 2.77Å; W325-T594 PolarHBondContact NE1-OG1 2.77Å
595	P	92.8	Very high	88.1	Confident	66 Å²	66	49.2 Å²	49.2	43%	0.429	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-66	156.8	-178.2	27.5	-34.7	0	0	0	110.5	W325 D578	W325-P595 PolarHBondContact NE1-O 2.93Å; W325-P595 VanDerWaalsContact NE1-O 3.12Å; D578-P595 HydrophobicContact CB-CB 4.38Å; D578-P595 CarbonylContact O-C 3.58Å; D578-P595 WeakPolarHBondContact O-CA 3.28Å; D578-P595 WeakPolarHBondContact O-CB 3.38Å
596	M	94.1	Very high	88.7	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.015	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-57.1	153.3	173.6	-61.1	-169.6	-64.9	0	0	110.2	I303 F316 W325 L567 G568 D578 V580 R598 L600 F603	I303-M596 HydrophobicContact CD1-SD 3.7Å; F316-M596 HydrophobicContact CE2-CB 4.08Å; F316-M596 HydrophobicContact CE2-CG 4.22Å; F316-M596 HydrophobicContact CE2-SD 3.95Å; F316-M596 HydrophobicContact CZ-CB 4.32Å; F316-M596 HydrophobicContact CZ-SD 4.17Å; W325-M596 HydrophobicContact CH2-CG 3.77Å; W325-M596 HydrophobicContact CH2-SD 4.48Å; W325-M596 HydrophobicContact CZ2-CB 4.41Å; W325-M596 HydrophobicContact CZ2-CG 3.72Å; W325-M596 HydrophobicContact CZ3-CG 4.43Å; L567-M596 HydrophobicContact CB-SD 4.14Å; G568-M596 VanDerWaalsContact CA-CE 3.43Å; D578-M596 HydrophobicContact CB-CB 4.07Å; D578-M596 PolarHBondContact O-N 3.17Å; V580-M596 HydrophobicContact CG2-CG 3.7Å; M596-R598 PolarHBondContact O-N 3.45Å; M596-L600 HydrophobicContact CE-CB 4.3Å; M596-F603 HydrophobicContact CE-CE1 4.25Å; M596-F603 HydrophobicContact CE-CZ 4.21Å; M596-F603 HydrophobicContact SD-CZ 3.99Å
597	P	92.9	Very high	89.6	Confident	55 Å²	55	47.4 Å²	47.4	36%	0.357	25%	0.247	S	C	.	.	S	Bend	trans	-57.6	-24.5	178.9	-27.8	36.5	0	0	0	114.1	F316 W325	F316-P597 HydrophobicContact CB-CG 4.32Å; F316-P597 HydrophobicContact CD2-CG 4.35Å; F316-P597 HydrophobicContact CG-CG 4.27Å; W325-P597 HydrophobicContact CB-CG 3.76Å; W325-P597 HydrophobicContact CD2-CG 4.33Å; W325-P597 HydrophobicContact CE3-CG 4.31Å; W325-P597 HydrophobicContact CG-CG 4.13Å
598	R	91.7	Very high	90.1	Very high	70 Å²	70	42.1 Å²	42.1	26%	0.264	23%	0.228	S	C	.	.	S	Bend	trans	-150.7	150	179.7	-70	-170.6	-81.2	-92.3	2.8	110.9	E327 M596 L600	E327-R598 IonicContact OE1-CZ 3.43Å; E327-R598 IonicContact OE1-NH1 3.27Å; E327-R598 PolarHBondContact OE1-NH1 2.98Å; E327-R598 IonicContact OE1-NH2 2.68Å; E327-R598 PolarHBondContact OE1-NH2 3.01Å; E327-R598 IonicContact OE2-CZ 3.7Å; E327-R598 IonicContact OE2-NH1 2.98Å; E327-R598 PolarHBondContact OE2-NH1 3.18Å; E327-R598 IonicContact OE2-NH2 3.56Å; M596-R598 PolarHBondContact O-N 3.45Å; R598-L600 PolarHBondContact O-N 2.83Å
599	P	91.3	Very high	90.6	Very high	63 Å²	63	42.2 Å²	42.2	41%	0.409	22%	0.222	S	C	.	.			trans	-70.3	125.3	175.5	27.2	-33.8	0	0	0	110.3	I576 T577 D578	I576-P599 HydrophobicContact CB-CB 4.32Å; I576-P599 HydrophobicContact CG2-CB 3.95Å; I576-P599 WeakPolarHBondContact O-CB 3.49Å; T577-P599 WeakPolarHBondContact O-CA 3.42Å; D578-P599 HydrophobicContact CB-CB 4.14Å
600	L	89.7	Confident	90.8	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	20%	0.196	C	C	.	.			trans	-134	148.7	-179.4	-68.4	-168.5	0	0	0	111.3	I303 K305 H314 F316 G569 T577 M596 R598 F603	I303-L600 HydrophobicContact CG2-CD1 3.9Å; K305-L600 HydrophobicContact CB-CD1 4.14Å; K305-L600 HydrophobicContact CD-CD2 3.87Å; H314-L600 HydrophobicContact CB-CD1 4.33Å; H314-L600 HydrophobicContact CB-CD2 4.41Å; F316-L600 HydrophobicContact CE1-CD1 3.48Å; F316-L600 VanDerWaalsContact CE1-CD1 3.48Å; F316-L600 HydrophobicContact CE1-CG 4.23Å; F316-L600 HydrophobicContact CZ-CD1 3.4Å; F316-L600 HydrophobicContact CZ-CG 4.06Å; G569-L600 PolarHBondContact N-O 3.15Å; T577-L600 PolarHBondContact O-N 3.49Å; M596-L600 HydrophobicContact CE-CB 4.3Å; R598-L600 PolarHBondContact O-N 2.83Å; L600-F603 HydrophobicContact CB-CD1 3.5Å; L600-F603 HydrophobicContact CB-CE1 3.87Å; L600-F603 HydrophobicContact CB-CG 4.21Å; L600-F603 HydrophobicContact CD1-CB 4.23Å; L600-F603 HydrophobicContact CD1-CD1 4.4Å; L600-F603 HydrophobicContact CD1-CG 4.31Å; L600-F603 WeakPolarHBondContact O-CE1 3.21Å
601	T	87.6	Confident	90.9	Very high	3 Å²	3	35 Å²	35	2%	0.018	19%	0.19	C	C	.	.	S	Bend	trans	-133.8	157.3	168.2	-170.1	0	0	0	0	109.1	K305 N554 D570 I576 F603	K305-T601 VanDerWaalsContact CE-O 3.28Å; K305-T601 WeakPolarHBondContact CE-O 3.39Å; N554-T601 WeakPolarHBondContact CB-OG1 3.49Å; D570-T601 PolarHBondContact OD1-OG1 2.93Å; I576-T601 HydrophobicContact CD1-CG2 3.95Å; I576-T601 HydrophobicContact CG1-CG2 4.15Å; I576-T601 HydrophobicContact CG2-CG2 4.35Å; T601-F603 VanDerWaalsContact C-N 3.33Å; T601-F603 PolarHBondContact O-N 2.89Å
602	E	81.9	Confident	90.9	Very high	37 Å²	37	37 Å²	37	17%	0.173	20%	0.195	C	C	.	.	S	Bend	trans	52.1	47.1	177.9	-59.1	-176.4	-171.9	0	0	113.1	R366 V368 R369 N554	R366-E602 WeakPolarHBondContact CB-OE2 3.3Å; R366-E602 PolarHBondContact NH1-O 2.97Å; V368-E602 WeakPolarHBondContact CA-OE1 3.44Å; R369-E602 PolarHBondContact N-OE1 3.43Å; N554-E602 HydrophobicContact CB-CG 3.78Å
603	F	88.3	Confident	90.8	Very high	17 Å²	17	35.1 Å²	35.1	8%	0.075	18%	0.183	C	C	.	.			trans	-110	160.6	179.5	60.7	-91.5	0	0	0	111.4	I303 K305 L567 M596 L600 T601 C605	I303-F603 HydrophobicContact CB-CD2 4.4Å; I303-F603 HydrophobicContact CD1-CD2 4.46Å; I303-F603 HydrophobicContact CD1-CE2 3.84Å; I303-F603 HydrophobicContact CG1-CD2 4.17Å; I303-F603 HydrophobicContact CG1-CE2 3.94Å; I303-F603 HydrophobicContact CG2-CB 4.38Å; I303-F603 HydrophobicContact CG2-CD2 3.53Å; I303-F603 HydrophobicContact CG2-CE2 3.98Å; I303-F603 HydrophobicContact CG2-CG 4.12Å; K305-F603 HydrophobicContact CB-CB 3.82Å; K305-F603 HydrophobicContact CD-CB 4.48Å; K305-F603 HydrophobicContact CG-CB 4.26Å; L567-F603 HydrophobicContact CB-CE2 4.22Å; L567-F603 HydrophobicContact CB-CZ 3.79Å; L567-F603 WeakPolarHBondContact O-CZ 3.36Å; M596-F603 HydrophobicContact CE-CE1 4.25Å; M596-F603 HydrophobicContact CE-CZ 4.21Å; M596-F603 HydrophobicContact SD-CZ 3.99Å; L600-F603 HydrophobicContact CB-CD1 3.5Å; L600-F603 HydrophobicContact CB-CE1 3.87Å; L600-F603 HydrophobicContact CB-CG 4.21Å; L600-F603 HydrophobicContact CD1-CB 4.23Å; L600-F603 HydrophobicContact CD1-CD1 4.4Å; L600-F603 HydrophobicContact CD1-CG 4.31Å; L600-F603 WeakPolarHBondContact O-CE1 3.21Å; T601-F603 VanDerWaalsContact C-N 3.33Å; T601-F603 PolarHBondContact O-N 2.89Å; F603-C605 HydrophobicContact CD2-CB 4.29Å; F603-C605 HydrophobicContact CE2-CB 4.01Å
604	H	90.6	Very high	90.7	Very high	25 Å²	25	36.8 Å²	36.8	12%	0.116	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.4	170.8	-66	-61.1	0	0	0	110.2	I303 H304 D341 S345 L347 R366	I303-H604 VanDerWaalsContact CA-O 3.29Å; I303-H604 WeakPolarHBondContact CA-O 2.9Å; H304-H604 PolarHBondContact N-O 3.29Å; H304-H604 PolarHBondContact O-N 3.15Å; D341-H604 IonicContact OD1-CD2 3.61Å; D341-H604 PolarHBondContact OD1-CD2 3.13Å; D341-H604 IonicContact OD1-NE2 2.82Å; D341-H604 PolarHBondContact OD1-NE2 2.84Å; S345-H604 PolarHBondContact O-CE1 3.37Å; S345-H604 PolarHBondContact OG-NE2 3.01Å; L347-H604 HydrophobicContact CB-CB 3.86Å; L347-H604 HydrophobicContact CD2-CB 3.59Å; L347-H604 HydrophobicContact CG-CB 4.35Å; R366-H604 PolarHBondContact NH2-NE2 2.95Å
605	C	92.9	Very high	90.8	Very high	24 Å²	24	35.6 Å²	35.6	16%	0.162	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.7	171	59.8	0	0	0	0	110.1	Y302 I303 G556 S557 V558 L567 F603	Y302-C605 VanDerWaalsContact O-CA 3.31Å; Y302-C605 WeakPolarHBondContact O-CA 3.39Å; I303-C605 HydrophobicContact CG1-CB 4.21Å; G556-C605 WeakPolarHBondContact CA-SG 3.2Å; S557-C605 PolarHBondContact N-SG 2.8Å; V558-C605 HydrophobicContact CG2-CB 3.97Å; L567-C605 HydrophobicContact CD1-CB 4.25Å; F603-C605 HydrophobicContact CD2-CB 4.29Å; F603-C605 HydrophobicContact CE2-CB 4.01Å
606	Q	94.6	Very high	90.6	Very high	40 Å²	40	34.3 Å²	34.3	19%	0.187	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	141.9	-177.9	-175.6	60.9	22.6	0	0	111.2	Y302 L347 S349 L354	Y302-Q606 PolarHBondContact N-O 2.95Å; Y302-Q606 PolarHBondContact O-N 3.33Å; L347-Q606 HydrophobicContact CD2-CB 4.03Å; L347-Q606 HydrophobicContact CG-CB 4.49Å; S349-Q606 WeakPolarHBondContact OG-CG 3.33Å; S349-Q606 PolarHBondContact OG-NE2 3.43Å; L354-Q606 HydrophobicContact CD2-CG 4.28Å
607	V	94.4	Very high	90.3	Very high	29 Å²	29	35 Å²	35	18%	0.176	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	133.3	170.6	-175.2	0	0	0	0	109.5	Y300 S349 V558 V560	Y300-V607 CarbonylContact O-C 3.57Å; Y300-V607 WeakPolarHBondContact O-CA 3.43Å; S349-V607 VanDerWaalsContact CB-O 3.28Å; S349-V607 WeakPolarHBondContact CB-O 3.24Å; S349-V607 PolarHBondContact OG-O 2.86Å; V558-V607 HydrophobicContact CG1-CG2 3.15Å; V560-V607 HydrophobicContact CB-CG2 4.01Å; V560-V607 HydrophobicContact CG2-CG1 4.08Å; V560-V607 HydrophobicContact CG2-CG2 4.32Å
608	I	93.4	Very high	89.6	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.3	169.4	-175.1	160.9	0	0	0	109.8	S299 Y300 L354 P388 F610 W617	S299-I608 WeakPolarHBondContact CA-O 3.46Å; Y300-I608 PolarHBondContact N-O 3.44Å; Y300-I608 PolarHBondContact O-N 3.37Å; L354-I608 HydrophobicContact CD1-CD1 4.4Å; L354-I608 HydrophobicContact CD2-CD1 4.08Å; L354-I608 HydrophobicContact CG-CD1 3.83Å; P388-I608 HydrophobicContact CG-CD1 4.05Å; I608-F610 HydrophobicContact CD1-CE1 3.87Å; I608-F610 HydrophobicContact CD1-CE2 4.38Å; I608-F610 HydrophobicContact CD1-CZ 3.54Å; I608-F610 HydrophobicContact CG1-CE1 4.09Å; I608-F610 HydrophobicContact CG1-CE2 4.08Å; I608-F610 HydrophobicContact CG1-CZ 3.68Å; I608-F610 HydrophobicContact CG2-CE2 3.97Å; I608-F610 HydrophobicContact CG2-CZ 4.13Å; I608-W617 HydrophobicContact CG2-CH2 3.71Å; I608-W617 HydrophobicContact CG2-CZ3 3.51Å
609	S	92.3	Very high	88.2	Confident	40 Å²	40	33.4 Å²	33.4	28%	0.28	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.1	-178.8	-53.2	0	0	0	0	110	E298 S299	E298-S609 CarbonylContact O-C 3.58Å; E298-S609 VanDerWaalsContact O-CA 3.3Å; E298-S609 WeakPolarHBondContact O-CA 3.28Å; S299-S609 WeakPolarHBondContact OG-CB 3.46Å; S299-S609 PolarHBondContact OG-OG 3.01Å
610	F	92.1	Very high	86.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.8	176.3	-56.8	-77.5	0	0	0	110.2	T297 E298 Y300 E352 P388 V389 I608 R612 D615 P616 W617	T297-F610 CarbonylContact C-O 3.57Å; T297-F610 WeakPolarHBondContact CA-O 3.44Å; T297-F610 WeakPolarHBondContact CB-O 3.15Å; E298-F610 PolarHBondContact N-O 3.49Å; E298-F610 PolarHBondContact O-N 3.03Å; Y300-F610 AromaticContact CD2-CD2 3.8Å; Y300-F610 HydrophobicContact CD2-CD2 3.8Å; Y300-F610 AromaticContact CD2-CE2 3.96Å; Y300-F610 HydrophobicContact CD2-CE2 3.96Å; Y300-F610 AromaticContact CE2-CD2 3.92Å; Y300-F610 HydrophobicContact CE2-CD2 3.92Å; Y300-F610 HydrophobicContact CE2-CE2 4.39Å; E352-F610 HydrophobicContact CB-CD1 3.84Å; E352-F610 HydrophobicContact CB-CE1 4.09Å; E352-F610 HydrophobicContact CG-CD1 3.97Å; P388-F610 HydrophobicContact CB-CE1 3.96Å; P388-F610 HydrophobicContact CB-CZ 3.74Å; P388-F610 HydrophobicContact CG-CE1 4.13Å; P388-F610 HydrophobicContact CG-CZ 3.86Å; V389-F610 HydrophobicContact CG2-CD1 3.96Å; V389-F610 HydrophobicContact CG2-CE1 4.09Å; I608-F610 HydrophobicContact CD1-CE1 3.87Å; I608-F610 HydrophobicContact CD1-CE2 4.38Å; I608-F610 HydrophobicContact CD1-CZ 3.54Å; I608-F610 HydrophobicContact CG1-CE1 4.09Å; I608-F610 HydrophobicContact CG1-CE2 4.08Å; I608-F610 HydrophobicContact CG1-CZ 3.68Å; I608-F610 HydrophobicContact CG2-CE2 3.97Å; I608-F610 HydrophobicContact CG2-CZ 4.13Å; F610-R612 PolarHBondContact O-N 3.22Å; F610-D615 HydrophobicContact CB-CB 4Å; F610-P616 HydrophobicContact CE1-CG 4.21Å; F610-P616 HydrophobicContact CE2-CG 4.39Å; F610-P616 HydrophobicContact CZ-CG 4.15Å; F610-W617 HydrophobicContact CD2-CE3 4.45Å; F610-W617 HydrophobicContact CE2-CD2 4.05Å; F610-W617 AromaticContact CE2-CE3 3.57Å; F610-W617 HydrophobicContact CE2-CE3 3.57Å; F610-W617 AromaticContact CE2-CH2 3.97Å; F610-W617 HydrophobicContact CE2-CH2 3.97Å; F610-W617 HydrophobicContact CE2-CZ2 4.4Å; F610-W617 AromaticContact CE2-CZ3 3.54Å; F610-W617 HydrophobicContact CE2-CZ3 3.54Å; F610-W617 HydrophobicContact CZ-CE3 4.32Å; F610-W617 AromaticContact CZ-CH2 3.98Å; F610-W617 HydrophobicContact CZ-CH2 3.98Å; F610-W617 HydrophobicContact CZ-CZ2 4.23Å; F610-W617 HydrophobicContact CZ-CZ3 4.04Å
611	N	90.4	Very high	83.6	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	133.5	160.7	-69.2	-78	0	0	0	108.7	H249 E352 Y613 R614 D615	H249-N611 PolarHBondContact ND1-ND2 3.32Å; H249-N611 PolarHBondContact ND1-OD1 3.25Å; E352-N611 PolarHBondContact OE1-N 2.73Å; E352-N611 PolarHBondContact OE1-ND2 2.9Å; N611-Y613 HydrophobicContact CB-CD1 3.72Å; N611-Y613 HydrophobicContact CB-CE1 3.48Å; N611-Y613 VanDerWaalsContact CB-CE1 3.48Å; N611-Y613 PolarHBondContact O-N 3.28Å; N611-R614 CarbonylContact O-C 3.54Å; N611-R614 WeakPolarHBondContact O-CA 3.1Å; N611-R614 PolarHBondContact O-N 3.31Å; N611-D615 PolarHBondContact O-N 3.14Å
612	R	89.9	Confident	81	Confident	108 Å²	108	60.9 Å²	60.9	41%	0.408	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-28.1	-175	-78.3	178.6	167.1	-179.9	-1.6	115	T296 E298 D321 F610	T296-R612 WeakPolarHBondContact O-CG 3.34Å; T296-R612 PolarHBondContact O-N 3.38Å; E298-R612 HydrophobicContact CB-CG 4.18Å; E298-R612 IonicContact OE2-CZ 3.95Å; E298-R612 IonicContact OE2-NE 3.15Å; E298-R612 PolarHBondContact OE2-NE 2.68Å; E298-R612 IonicContact OE2-NH2 2.59Å; E298-R612 PolarHBondContact OE2-NH2 3.39Å; D321-R612 IonicContact OD2-NH2 3.83Å; D321-R612 PolarHBondContact OD2-NH2 3.41Å; D321-R612 VanDerWaalsContact OD2-NH2 3.14Å; F610-R612 PolarHBondContact O-N 3.22Å
613	Y	87.5	Confident	81	Confident	78 Å²	78	62.1 Å²	62.1	31%	0.306	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-14.2	177.6	77.9	-85.8	0	0	0	114.2	H249 P251 N611	H249-Y613 WeakPolarHBondContact O-CE1 3.3Å; H249-Y613 PolarHBondContact O-OH 3.28Å; P251-Y613 HydrophobicContact CB-CD2 4.03Å; P251-Y613 HydrophobicContact CB-CE2 4.08Å; P251-Y613 HydrophobicContact CG-CD1 4.42Å; P251-Y613 HydrophobicContact CG-CD2 3.57Å; P251-Y613 HydrophobicContact CG-CE2 3.92Å; P251-Y613 HydrophobicContact CG-CG 3.83Å; N611-Y613 HydrophobicContact CB-CD1 3.72Å; N611-Y613 HydrophobicContact CB-CE1 3.48Å; N611-Y613 VanDerWaalsContact CB-CE1 3.48Å; N611-Y613 PolarHBondContact O-N 3.28Å
614	R	87.5	Confident	80.6	Confident	53 Å²	53	64.4 Å²	64.4	20%	0.2	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	2.1	177.4	-58.3	-169.1	66.6	-147.5	-12.2	112.8	E352 V389 N611 P616	E352-R614 IonicContact OE1-NH1 3.47Å; E352-R614 IonicContact OE2-CZ 2.66Å; E352-R614 IonicContact OE2-NE 2.77Å; E352-R614 IonicContact OE2-NH1 2.86Å; E352-R614 PolarHBondContact OE2-NH1 3.08Å; E352-R614 IonicContact OE2-NH2 3.72Å; E352-R614 PolarHBondContact OE2-NH2 3.36Å; V389-R614 HydrophobicContact CG1-CB 4.47Å; V389-R614 WeakPolarHBondContact CG2-O 3.43Å; N611-R614 CarbonylContact O-C 3.54Å; N611-R614 WeakPolarHBondContact O-CA 3.1Å; N611-R614 PolarHBondContact O-N 3.31Å; R614-P616 VanDerWaalsContact O-CD 3.25Å; R614-P616 WeakPolarHBondContact O-CD 3.49Å
615	D	90.4	Very high	80	Confident	27 Å²	27	66.6 Å²	66.6	14%	0.144	34%	0.342	C	S	.	.			trans	-63	112.4	-179.2	177.3	7.2	0	0	0	110.2	Y300 F610 N611 W617 G618	Y300-D615 PolarHBondContact OH-OD1 2.87Å; Y300-D615 PolarHBondContact OH-OD2 3.05Å; F610-D615 HydrophobicContact CB-CB 4Å; N611-D615 PolarHBondContact O-N 3.14Å; D615-W617 PolarHBondContact O-N 3.23Å; D615-W617 WeakPolarHBondContact OD1-CA 3.29Å; D615-W617 PolarHBondContact OD1-N 2.98Å; D615-G618 PolarHBondContact OD1-N 3.08Å; D615-G618 WeakPolarHBondContact OD2-CA 3.43Å; D615-G618 PolarHBondContact OD2-N 3.38Å
616	P	88.7	Confident	79.3	Confident	40 Å²	40	69.1 Å²	69.1	26%	0.26	35%	0.353	S	S	.	.	S	Bend	trans	-78.7	-11.1	-180	32.1	-31.1	0	0	0	112.5	P388 V389 F610 R614	P388-P616 HydrophobicContact CB-CG 3.93Å; V389-P616 HydrophobicContact CG2-CG 4.37Å; F610-P616 HydrophobicContact CE1-CG 4.21Å; F610-P616 HydrophobicContact CE2-CG 4.39Å; F610-P616 HydrophobicContact CZ-CG 4.15Å; R614-P616 VanDerWaalsContact O-CD 3.25Å; R614-P616 WeakPolarHBondContact O-CD 3.49Å
617	W	88.1	Confident	78.3	Confident	18 Å²	18	70.9 Å²	70.9	7%	0.068	36%	0.363	C	S	.	.	S	Bend	trans	-111.4	-10.3	-175.4	-55.2	-24.7	0	0	0	112.2	Y300 Y302 C317 R326 L328 P388 I608 F610 D615	Y300-W617 AromaticContact CD1-CE3 3.95Å; Y300-W617 HydrophobicContact CD1-CE3 3.95Å; Y300-W617 AromaticContact CD2-CE3 3.64Å; Y300-W617 HydrophobicContact CD2-CE3 3.64Å; Y300-W617 HydrophobicContact CD2-CZ3 4.13Å; Y300-W617 HydrophobicContact CE1-CB 4.2Å; Y300-W617 HydrophobicContact CE1-CE3 4.44Å; Y300-W617 HydrophobicContact CE2-CB 4.39Å; Y300-W617 HydrophobicContact CE2-CE3 4.15Å; Y300-W617 AromaticContact CG-CE3 3.52Å; Y300-W617 HydrophobicContact CG-CE3 3.52Å; Y300-W617 AromaticContact CG-CZ3 3.9Å; Y300-W617 HydrophobicContact CG-CZ3 3.9Å; Y302-W617 AromaticContact CD2-CH2 3.53Å; Y302-W617 HydrophobicContact CD2-CH2 3.53Å; Y302-W617 AromaticContact CD2-CZ2 3.98Å; Y302-W617 HydrophobicContact CD2-CZ2 3.98Å; Y302-W617 HydrophobicContact CD2-CZ3 4.41Å; Y302-W617 HydrophobicContact CE2-CH2 4.3Å; Y302-W617 HydrophobicContact CE2-CZ2 4.33Å; Y302-W617 HydrophobicContact CG-CH2 4.2Å; C317-W617 HydrophobicContact CB-CD2 4.34Å; C317-W617 HydrophobicContact CB-CE3 3.74Å; C317-W617 HydrophobicContact CB-CZ3 3.83Å; R326-W617 PolarHBondContact NH1-O 2.68Å; L328-W617 HydrophobicContact CD1-CH2 4.32Å; L328-W617 HydrophobicContact CD1-CZ2 3.73Å; L328-W617 VanDerWaalsContact CD2-CD1 3.46Å; L328-W617 HydrophobicContact CD2-CD2 4.03Å; L328-W617 HydrophobicContact CD2-CG 3.87Å; P388-W617 HydrophobicContact CB-CH2 4.5Å; P388-W617 HydrophobicContact CB-CZ2 3.72Å; P388-W617 HydrophobicContact CG-CH2 4.45Å; P388-W617 HydrophobicContact CG-CZ2 4.03Å; I608-W617 HydrophobicContact CG2-CH2 3.71Å; I608-W617 HydrophobicContact CG2-CZ3 3.51Å; F610-W617 HydrophobicContact CD2-CE3 4.45Å; F610-W617 HydrophobicContact CE2-CD2 4.05Å; F610-W617 AromaticContact CE2-CE3 3.57Å; F610-W617 HydrophobicContact CE2-CE3 3.57Å; F610-W617 AromaticContact CE2-CH2 3.97Å; F610-W617 HydrophobicContact CE2-CH2 3.97Å; F610-W617 HydrophobicContact CE2-CZ2 4.4Å; F610-W617 AromaticContact CE2-CZ3 3.54Å; F610-W617 HydrophobicContact CE2-CZ3 3.54Å; F610-W617 HydrophobicContact CZ-CE3 4.32Å; F610-W617 AromaticContact CZ-CH2 3.98Å; F610-W617 HydrophobicContact CZ-CH2 3.98Å; F610-W617 HydrophobicContact CZ-CZ2 4.23Å; F610-W617 HydrophobicContact CZ-CZ3 4.04Å; D615-W617 PolarHBondContact O-N 3.23Å; D615-W617 WeakPolarHBondContact OD1-CA 3.29Å; D615-W617 PolarHBondContact OD1-N 2.98Å
618	G	78.8	Confident	77.2	Confident	23 Å²	23	73.7 Å²	73.7	24%	0.237	38%	0.376	C	S	.	.	S	Bend	trans	-59.9	150.6	172.6	0	0	0	0	0	112.3	D615 R620	D615-G618 PolarHBondContact OD1-N 3.08Å; D615-G618 WeakPolarHBondContact OD2-CA 3.43Å; D615-G618 PolarHBondContact OD2-N 3.38Å; G618-R620 PolarHBondContact O-N 3.27Å
619	G	61.3	Low	76.1	Confident	68 Å²	68	78.9 Å²	78.9	70%	0.701	40%	0.402	S	S	*	.	S	Bend	trans	-70.3	53	-176.2	0	0	0	0	0	115.1
620	R	48.4	Very low	74.8	Confident	215 Å²	215	81.8 Å²	81.8	81%	0.811	41%	0.411	S	S	*	.			trans	-115.8	54.4	165.4	-72.2	-172	-175.9	178.9	3.3	110.2	G618	G618-R620 PolarHBondContact O-N 3.27Å
621	D	35.4	Very low	73.4	Confident	166 Å²	166	88.7 Å²	88.7	89%	0.888	45%	0.445	S	S	*	.			trans	-150.3	76.4	150	-89.4	-32.1	0	0	0	107.2
622	M	34	Very low	71.8	Confident	264 Å²	264	96.4 Å²	96.4	100%	1.3	48%	0.484	S	S	*	.			trans	-139.2	0	144.4	-92	-154.9	-81.8	0	0	108.9

Retrieved 622 of 622 residues in 1693.7 ms (Link to these results)

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