A0A087YEB6_POEFO Loading...

Steroidogenic acute regulatory protein, mitochondrial

Plays a key role in steroid hormone synthesis by enhancing the metabolism of cholesterol into pregnenolone. Mediates the transfer of cholesterol from the outer mitochondrial membrane to the inner mitochondrial membrane where it is cleaved to pregnenolone.

AlphaFold DB , UniProt , Accession A0A087YEB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 289 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	Q	37.5	Very low	33.2	Very low	242 Å²	242	152.8 Å²	152.8	100%	1.131	81%	0.806	S	S	*	*				0	97.7	0	-75.3	164.7	-11.6	0	0	106.3
2	S	31.7	Very low	32.8	Very low	105 Å²	105	150.2 Å²	150.2	73%	0.734	81%	0.807	S	S	*	*				49.8	132.7	89.8	-94.3	0	0	0	0	113.8
3	K	36.7	Very low	32.8	Very low	174 Å²	174	146.5 Å²	146.5	76%	0.757	81%	0.81	S	S	*	*			cis	-178.5	150.9	-9.6	-125.3	178	-174.2	-177.8	0	108.2
4	M	30.1	Very low	32.8	Very low	139 Å²	139	140.9 Å²	140.9	69%	0.685	80%	0.802	S	S	*	*			trans	60.7	122.8	142.2	-81.2	169.4	66.2	0	0	121.9	P6	M4-P6 HydrophobicContact CE-CG 4.19Å
5	L	31.7	Very low	32.9	Very low	175 Å²	175	142.8 Å²	142.8	92%	0.916	81%	0.807	S	S	*	*				-131.4	141.8	116.5	-76.4	172.7	0	0	0	109.4
6	P	34	Very low	33	Very low	98 Å²	98	140.2 Å²	140.2	64%	0.636	80%	0.8	S	S	*	*			trans	-95.2	143.4	-157.1	1.7	19.3	0	0	0	114.2	M4	M4-P6 HydrophobicContact CE-CG 4.19Å
7	A	35.9	Very low	33.4	Very low	96 Å²	96	145.9 Å²	145.9	79%	0.793	81%	0.808	S	S	*	*			trans	-68.8	127.5	161.3	0	0	0	0	0	111.2
8	T	36.2	Very low	33.6	Very low	134 Å²	134	150.2 Å²	150.2	82%	0.822	81%	0.81	S	S	*	*			trans	-161.9	140.3	146.7	44.4	0	0	0	0	107.1
9	F	28.8	Very low	33.8	Very low	191 Å²	191	152.2 Å²	152.2	84%	0.838	81%	0.813	S	S	*	*			cis	-167.1	132	-21.6	-162.3	-108.6	0	0	0	102.7
10	K	32	Very low	34	Very low	182 Å²	182	154.3 Å²	154.3	79%	0.791	82%	0.82	S	S	*	*			trans	-56.9	144.3	164	-92.4	-179.9	174.7	179	0	109.4
11	L	30.5	Very low	34.5	Very low	145 Å²	145	158 Å²	158	76%	0.759	82%	0.823	S	S	*	*			trans	69.3	126.6	162.4	-80.5	97.3	0	0	0	118.4
12	C	28.3	Very low	35.1	Very low	121 Å²	121	153.3 Å²	153.3	82%	0.818	81%	0.806	S	S	*	*				-171.1	129.1	96.7	-91.1	0	0	0	0	111
13	A	33.4	Very low	35.5	Very low	103 Å²	103	154.7 Å²	154.7	85%	0.851	80%	0.802	S	S	*	*			trans	-69.5	141.6	164	0	0	0	0	0	109.9
14	G	32.9	Very low	36	Very low	68 Å²	68	152.5 Å²	152.5	70%	0.701	80%	0.803	S	S	*	*			trans	78.2	100.7	150.3	0	0	0	0	0	116.9
15	I	33.3	Very low	36.9	Very low	169 Å²	169	148.4 Å²	148.4	87%	0.867	80%	0.797	S	S	*	*				-148.9	130.9	126.8	-27.9	172.2	0	0	0	109.2
16	S	34.2	Very low	37.5	Very low	101 Å²	101	145.9 Å²	145.9	71%	0.706	78%	0.784	S	S	*	*			trans	81.6	80.1	153	-60.3	0	0	0	0	119.9	R18	S16-R18 VanDerWaalsContact C-N 3.31Å; S16-R18 PolarHBondContact O-N 2.83Å
17	Y	39.8	Very low	38.3	Very low	238 Å²	238	150.7 Å²	150.7	93%	0.933	79%	0.789	S	S	*	*				-45.8	98.7	124.7	-108.8	-100.7	0	0	0	109.9
18	R	37.8	Very low	38.9	Very low	223 Å²	223	155.9 Å²	155.9	84%	0.842	79%	0.788	S	S	*	*			trans	172.1	94	148.6	-100.8	177.4	-167.8	-150.1	4.3	108.9	S16	S16-R18 VanDerWaalsContact C-N 3.31Å; S16-R18 PolarHBondContact O-N 2.83Å
19	H	38	Very low	39.3	Very low	188 Å²	188	155.5 Å²	155.5	87%	0.87	78%	0.781	S	S	*	*			trans	161.3	68.5	138.1	-89.7	82.1	0	0	0	108.2
20	M	37.8	Very low	40.2	Very low	194 Å²	194	149 Å²	149	96%	0.956	76%	0.763	S	S	*	*			trans	-120.7	72.2	161.1	-157.1	178.1	64.8	0	0	107.7
21	R	44.3	Very low	41	Very low	232 Å²	232	145.8 Å²	145.8	88%	0.875	75%	0.754	S	S	*	*			trans	-131.4	123.6	163	-143.9	174.3	-174.6	163.3	1.4	106.6
22	N	49.5	Very low	42	Very low	144 Å²	144	141.8 Å²	141.8	77%	0.77	74%	0.741	S	S	*	*			trans	75.6	82.6	176.9	-71.3	-6.5	0	0	0	118.9
23	M	39.3	Very low	42.8	Very low	134 Å²	134	139 Å²	139	66%	0.66	73%	0.726	S	S	*	*			trans	-146.6	56.8	151.7	-80.3	-65.4	-96.4	0	0	111.1	L26	M23-L26 HydrophobicContact CE-CB 3.75Å; M23-L26 HydrophobicContact CE-CD1 4.01Å; M23-L26 HydrophobicContact CE-CD2 3.78Å; M23-L26 HydrophobicContact CE-CG 4.04Å
24	T	48.4	Very low	43.7	Very low	127 Å²	127	138.8 Å²	138.8	78%	0.779	71%	0.71	S	S	*	*	S	Bend	trans	-82.1	-17.6	174.1	37.4	0	0	0	0	113.3
25	G	48.5	Very low	44.3	Very low	53 Å²	53	141.3 Å²	141.3	55%	0.546	70%	0.703	S	S	.	*	S	Bend	trans	-81.6	-36.9	-179	0	0	0	0	0	115.1	R27	G25-R27 PolarHBondContact O-N 3.19Å
26	L	44	Very low	44.8	Very low	123 Å²	123	139.7 Å²	139.7	64%	0.644	69%	0.692	S	S	*	*	H	α-helix	trans	-78.7	-17.6	-173	-123.3	90.7	0	0	0	114.3	M23	M23-L26 HydrophobicContact CE-CB 3.75Å; M23-L26 HydrophobicContact CE-CD1 4.01Å; M23-L26 HydrophobicContact CE-CD2 3.78Å; M23-L26 HydrophobicContact CE-CG 4.04Å
27	R	50.7	Low	45.2	Very low	199 Å²	199	138.7 Å²	138.7	75%	0.751	68%	0.676	S	S	*	*	H	α-helix	trans	-74.8	-33.4	-179.5	-97.5	-179.6	166.7	171.3	-3.6	113.6	G25 L31	G25-R27 PolarHBondContact O-N 3.19Å; R27-L31 WeakPolarHBondContact O-CB 3.44Å; R27-L31 WeakPolarHBondContact O-CD1 3.32Å; R27-L31 VanDerWaalsContact O-CG 3.3Å; R27-L31 WeakPolarHBondContact O-CG 3.26Å; R27-L31 PolarHBondContact O-N 3.29Å
28	R	49.9	Very low	45.4	Very low	205 Å²	205	132.7 Å²	132.7	77%	0.774	66%	0.66	S	S	*	*	H	α-helix	trans	-72.8	-41.5	-176.8	-86.3	-177.5	177.6	164	-0.3	112.7	L31 A32	R28-L31 PolarHBondContact O-N 2.74Å; R28-A32 WeakPolarHBondContact O-CB 3.45Å; R28-A32 PolarHBondContact O-N 2.82Å
29	N	44.5	Very low	45.6	Very low	126 Å²	126	127.2 Å²	127.2	67%	0.674	65%	0.647	S	S	*	*	H	α-helix	trans	-73.4	-35.2	-177.1	-65.8	-7	0	0	0	112	A33	N29-A33 WeakPolarHBondContact O-CB 3.3Å; N29-A33 PolarHBondContact O-N 2.99Å; N29-A33 VanDerWaalsContact O-N 3.09Å
30	A	47.6	Very low	45.7	Very low	54 Å²	54	126.9 Å²	126.9	45%	0.446	64%	0.638	S	S	.	*	H	α-helix	trans	-67	-40.4	174	0	0	0	0	0	112.1	A33 I34	A30-A33 PolarHBondContact O-N 2.98Å; A30-I34 WeakPolarHBondContact O-CD1 3.49Å; A30-I34 VanDerWaalsContact O-CG1 3.22Å; A30-I34 WeakPolarHBondContact O-CG1 3.25Å; A30-I34 PolarHBondContact O-N 3.18Å; A30-I34 VanDerWaalsContact O-N 3.08Å
31	L	47.9	Very low	45.8	Very low	115 Å²	115	124.4 Å²	124.4	60%	0.602	63%	0.628	S	S	*	*	H	α-helix	trans	-68	-38	176.3	-76.5	167.7	0	0	0	112.5	R27 R28 I34 H35	R27-L31 WeakPolarHBondContact O-CB 3.44Å; R27-L31 WeakPolarHBondContact O-CD1 3.32Å; R27-L31 VanDerWaalsContact O-CG 3.3Å; R27-L31 WeakPolarHBondContact O-CG 3.26Å; R27-L31 PolarHBondContact O-N 3.29Å; R28-L31 PolarHBondContact O-N 2.74Å; L31-I34 PolarHBondContact O-N 3.23Å; L31-H35 WeakPolarHBondContact O-CB 3.25Å; L31-H35 PolarHBondContact O-N 2.97Å
32	A	51.8	Low	45.6	Very low	61 Å²	61	116.7 Å²	116.7	50%	0.504	61%	0.614	S	S	.	*	H	α-helix	trans	-65.5	-40.3	176.3	0	0	0	0	0	112.1	R28 H35 H36	R28-A32 WeakPolarHBondContact O-CB 3.45Å; R28-A32 PolarHBondContact O-N 2.82Å; A32-H35 PolarHBondContact O-N 2.91Å; A32-H36 WeakPolarHBondContact O-CB 3.34Å; A32-H36 PolarHBondContact O-N 2.96Å
33	A	45.6	Very low	45.2	Very low	61 Å²	61	112.6 Å²	112.6	50%	0.504	61%	0.606	S	S	.	*	H	α-helix	trans	-67.7	-37.8	176.7	0	0	0	0	0	112.6	N29 A30 H36 E37	N29-A33 WeakPolarHBondContact O-CB 3.3Å; N29-A33 PolarHBondContact O-N 2.99Å; N29-A33 VanDerWaalsContact O-N 3.09Å; A30-A33 PolarHBondContact O-N 2.98Å; A33-H36 PolarHBondContact O-N 3.01Å; A33-E37 PolarHBondContact O-N 2.87Å
34	I	52.5	Low	45.6	Very low	100 Å²	100	112.8 Å²	112.8	51%	0.513	62%	0.617	S	S	.	*	H	α-helix	trans	-67.7	-38.4	174.6	-67.7	164.9	0	0	0	111	A30 L31 E37 L38	A30-I34 WeakPolarHBondContact O-CD1 3.49Å; A30-I34 VanDerWaalsContact O-CG1 3.22Å; A30-I34 WeakPolarHBondContact O-CG1 3.25Å; A30-I34 PolarHBondContact O-N 3.18Å; A30-I34 VanDerWaalsContact O-N 3.08Å; L31-I34 PolarHBondContact O-N 3.23Å; I34-E37 WeakPolarHBondContact O-CA 3.5Å; I34-L38 HydrophobicContact CG2-CD1 3.96Å; I34-L38 WeakPolarHBondContact O-CG 3.2Å; I34-L38 PolarHBondContact O-N 3.46Å
35	H	44.1	Very low	45.3	Very low	120 Å²	120	108.3 Å²	108.3	56%	0.556	60%	0.596	S	S	*	*	H	α-helix	trans	-68	-35.6	176.9	-161.6	77.8	0	0	0	112.3	L31 A32 L38 N39	L31-H35 WeakPolarHBondContact O-CB 3.25Å; L31-H35 PolarHBondContact O-N 2.97Å; A32-H35 PolarHBondContact O-N 2.91Å; H35-L38 PolarHBondContact O-N 2.94Å; H35-N39 PolarHBondContact O-N 2.8Å; H35-N39 PolarHBondContact O-ND2 3.27Å
36	H	44	Very low	45.1	Very low	136 Å²	136	111.2 Å²	111.2	63%	0.63	61%	0.606	S	S	*	*	H	α-helix	trans	-71.7	-44	176	-148.5	-64.8	0	0	0	111.9	A32 A33 L38 N39 R40	A32-H36 WeakPolarHBondContact O-CB 3.34Å; A32-H36 PolarHBondContact O-N 2.96Å; A33-H36 PolarHBondContact O-N 3.01Å; H36-L38 PolarHBondContact O-N 2.78Å; H36-N39 PolarHBondContact O-N 2.83Å; H36-R40 PolarHBondContact O-N 3.47Å
37	E	43.6	Very low	45.2	Very low	79 Å²	79	109 Å²	109	37%	0.369	60%	0.6	S	S	.	*	H	α-helix	trans	-21.3	-70.6	150.1	-30.2	-77	-113.7	0	0	117.7	A33 I34 R40	A33-E37 PolarHBondContact O-N 2.87Å; I34-E37 WeakPolarHBondContact O-CA 3.5Å; E37-R40 VanDerWaalsContact CD-NE 3.33Å; E37-R40 PolarHBondContact O-N 3.41Å; E37-R40 IonicContact OE1-CZ 2.75Å; E37-R40 VanDerWaalsContact OE1-CZ 3.3Å; E37-R40 IonicContact OE1-NE 2.76Å; E37-R40 PolarHBondContact OE1-NE 2.9Å; E37-R40 IonicContact OE1-NH2 2.72Å; E37-R40 PolarHBondContact OE1-NH2 2.83Å; E37-R40 WeakPolarHBondContact OE2-CB 3.42Å; E37-R40 WeakPolarHBondContact OE2-CD 3.29Å; E37-R40 IonicContact OE2-CZ 3.39Å; E37-R40 IonicContact OE2-NE 3.21Å; E37-R40 PolarHBondContact OE2-NE 3.38Å
38	L	44.5	Very low	44.7	Very low	112 Å²	112	104.6 Å²	104.6	59%	0.586	59%	0.592	S	S	*	*	H	α-helix	trans	-72.7	-30.5	-168.9	-73.4	164	0	0	0	112.4	I34 H35 H36 R40	I34-L38 HydrophobicContact CG2-CD1 3.96Å; I34-L38 WeakPolarHBondContact O-CG 3.2Å; I34-L38 PolarHBondContact O-N 3.46Å; H35-L38 PolarHBondContact O-N 2.94Å; H36-L38 PolarHBondContact O-N 2.78Å; L38-R40 VanDerWaalsContact C-N 3.33Å
39	N	41.6	Very low	44.5	Very low	109 Å²	109	102.7 Å²	102.7	58%	0.583	58%	0.584	S	S	*	*	H	α-helix	trans	-74.4	-22.9	177	-76.8	-23.2	0	0	0	113	H35 H36	H35-N39 PolarHBondContact O-N 2.8Å; H35-N39 PolarHBondContact O-ND2 3.27Å; H36-N39 PolarHBondContact O-N 2.83Å
40	R	40.6	Very low	44.6	Very low	180 Å²	180	101.7 Å²	101.7	68%	0.679	58%	0.578	S	S	*	*	H	α-helix	trans	-83.8	-18.3	179.2	-150.9	172.2	68.8	107.9	1.9	113.5	H36 E37 L38	H36-R40 PolarHBondContact O-N 3.47Å; E37-R40 VanDerWaalsContact CD-NE 3.33Å; E37-R40 PolarHBondContact O-N 3.41Å; E37-R40 IonicContact OE1-CZ 2.75Å; E37-R40 VanDerWaalsContact OE1-CZ 3.3Å; E37-R40 IonicContact OE1-NE 2.76Å; E37-R40 PolarHBondContact OE1-NE 2.9Å; E37-R40 IonicContact OE1-NH2 2.72Å; E37-R40 PolarHBondContact OE1-NH2 2.83Å; E37-R40 WeakPolarHBondContact OE2-CB 3.42Å; E37-R40 WeakPolarHBondContact OE2-CD 3.29Å; E37-R40 IonicContact OE2-CZ 3.39Å; E37-R40 IonicContact OE2-NE 3.21Å; E37-R40 PolarHBondContact OE2-NE 3.38Å; L38-R40 VanDerWaalsContact C-N 3.33Å
41	L	39.4	Very low	44.2	Very low	143 Å²	143	102.3 Å²	102.3	75%	0.749	58%	0.579	S	S	*	*	S	Bend	trans	-97.8	-6.1	-179.8	-69.2	170.9	0	0	0	114.1	G43	L41-G43 PolarHBondContact O-N 3.3Å
42	A	40.6	Very low	43.8	Very low	70 Å²	70	102 Å²	102	58%	0.579	57%	0.574	S	S	*	*			trans	-86	96.2	176.6	0	0	0	0	0	110.8
43	G	40.8	Very low	43.6	Very low	58 Å²	58	104.1 Å²	104.1	60%	0.598	58%	0.581	S	S	*	*			trans	-62.1	175	161.2	0	0	0	0	0	112.1	L41 G45	L41-G43 PolarHBondContact O-N 3.3Å; G43-G45 PolarHBondContact O-N 3.12Å
44	P	46	Very low	43.2	Very low	138 Å²	138	111.9 Å²	111.9	90%	0.896	60%	0.597	S	S	*	*	S	Bend	trans	-71.4	91.3	-169.5	29.7	-32.4	0	0	0	111
45	G	43.3	Very low	42.6	Very low	33 Å²	33	117.3 Å²	117.3	34%	0.34	61%	0.611	S	S	.	*			trans	-106.3	177.3	171.7	0	0	0	0	0	112.1	G43 S47	G43-G45 PolarHBondContact O-N 3.12Å; G45-S47 PolarHBondContact O-N 2.63Å
46	P	44.7	Very low	42.1	Very low	114 Å²	114	121.1 Å²	121.1	74%	0.74	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-14.7	-167.2	-17.5	29.7	0	0	0	114.1	N48 W49	P46-N48 PolarHBondContact O-N 2.81Å; P46-W49 PolarHBondContact O-N 3.32Å
47	S	46.6	Very low	41.8	Very low	76 Å²	76	119.8 Å²	119.8	53%	0.531	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.6	-9.7	-175.1	49	0	0	0	0	116.1	G45 W49 I50	G45-S47 PolarHBondContact O-N 2.63Å; S47-W49 VanDerWaalsContact C-N 3.26Å; S47-W49 PolarHBondContact O-N 3.44Å; S47-I50 PolarHBondContact O-N 2.94Å
48	N	38.4	Very low	41.9	Very low	107 Å²	107	120.3 Å²	120.3	57%	0.572	64%	0.639	S	S	*	*	H	α-helix	trans	-70.8	-10.7	174.4	-87.7	-17.9	0	0	0	115.1	P46 S51	P46-N48 PolarHBondContact O-N 2.81Å; N48-S51 PolarHBondContact O-OG 3.37Å
49	W	45.7	Very low	41.9	Very low	164 Å²	164	122.2 Å²	122.2	62%	0.621	65%	0.649	S	S	*	*	H	α-helix	trans	-73.9	-30.6	173.9	71.5	-102.3	0	0	0	112.7	P46 S47 Q52 V53	P46-W49 PolarHBondContact O-N 3.32Å; S47-W49 VanDerWaalsContact C-N 3.26Å; S47-W49 PolarHBondContact O-N 3.44Å; W49-Q52 PolarHBondContact O-N 3.48Å; W49-V53 HydrophobicContact CE3-CG2 4.46Å
50	I	47.8	Very low	42.1	Very low	105 Å²	105	125.6 Å²	125.6	54%	0.538	67%	0.667	S	S	.	*	H	α-helix	trans	-71.4	-33.7	-176.6	-59.9	177.1	0	0	0	110.9	S47	S47-I50 PolarHBondContact O-N 2.94Å
51	S	39.1	Very low	41.8	Very low	67 Å²	67	122 Å²	122	47%	0.469	67%	0.668	S	S	.	*	H	α-helix	trans	-75.8	-25.9	178	59.2	0	0	0	0	113.1	N48 V53 R54	N48-S51 PolarHBondContact O-OG 3.37Å; S51-V53 VanDerWaalsContact C-N 3.33Å; S51-R54 PolarHBondContact O-N 3.06Å
52	Q	39.2	Very low	41.6	Very low	108 Å²	108	121.2 Å²	121.2	51%	0.505	68%	0.675	S	S	.	*	H	α-helix	trans	-72.3	-23.6	175.2	-75.8	-176.9	-16	0	0	113.4	W49 R54 R55 R56	W49-Q52 PolarHBondContact O-N 3.48Å; Q52-R54 PolarHBondContact O-N 3.14Å; Q52-R55 PolarHBondContact O-N 3.05Å; Q52-R56 PolarHBondContact O-N 3.16Å
53	V	47.5	Very low	41.6	Very low	106 Å²	106	128.1 Å²	128.1	64%	0.642	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-26.9	174.3	178.7	0	0	0	0	111.8	W49 S51	W49-V53 HydrophobicContact CE3-CG2 4.46Å; S51-V53 VanDerWaalsContact C-N 3.33Å
54	R	38.3	Very low	41.6	Very low	225 Å²	225	133 Å²	133	85%	0.849	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-18.9	-179.9	-161.2	176.9	-122.7	-166.3	0.5	114.4	S51 Q52	S51-R54 PolarHBondContact O-N 3.06Å; Q52-R54 PolarHBondContact O-N 3.14Å
55	R	39.1	Very low	41.5	Very low	213 Å²	213	134.7 Å²	134.7	80%	0.804	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	-13.2	-171.1	-78.2	-165.6	-161.1	178.8	6.7	116.5	Q52	Q52-R55 PolarHBondContact O-N 3.05Å
56	R	33.8	Very low	41.7	Very low	200 Å²	200	141.2 Å²	141.2	76%	0.755	72%	0.715	S	S	*	*	S	Bend	trans	-102.9	4.3	-175.6	-71.8	-173	85.9	175.4	5.4	115.8	Q52	Q52-R56 PolarHBondContact O-N 3.16Å
57	S	36.8	Very low	42.1	Very low	108 Å²	108	144.3 Å²	144.3	76%	0.755	72%	0.719	S	S	*	*	S	Bend	trans	-86.2	0.7	173.5	46.5	0	0	0	0	114.4
58	S	46.3	Very low	42.7	Very low	91 Å²	91	146.1 Å²	146.1	64%	0.636	72%	0.719	S	S	*	*	S	Bend	trans	-97.9	5.1	-169	65	0	0	0	0	116.9
59	L	45.3	Very low	44.7	Very low	152 Å²	152	147.6 Å²	147.6	80%	0.796	73%	0.732	S	S	*	*	S	Bend	trans	-143.3	111.6	178.1	-64.7	171.4	0	0	0	110.6
60	L	45.6	Very low	46.8	Very low	180 Å²	180	142.8 Å²	142.8	94%	0.942	71%	0.714	S	S	*	*	S	Bend	trans	99	64.2	174.6	-56.2	162.9	0	0	0	117
61	S	33.9	Very low	48.9	Very low	103 Å²	103	141.6 Å²	141.6	72%	0.72	71%	0.709	S	S	*	*				-172.4	94.7	127.6	-175.6	0	0	0	0	107.9	R63	S61-R63 PolarHBondContact O-N 3.15Å
62	S	35.9	Very low	51.6	Low	128 Å²	128	145.7 Å²	145.7	90%	0.895	73%	0.725	S	S	*	*			trans	-75.9	69.7	164.6	56.1	0	0	0	0	108.9
63	R	39.8	Very low	54.2	Low	214 Å²	214	144.5 Å²	144.5	81%	0.808	72%	0.72	S	S	*	*			trans	-98.3	113.5	144.3	-106.8	-179.9	-171.2	174.4	3.2	104.3	S61 Q65	S61-R63 PolarHBondContact O-N 3.15Å; R63-Q65 PolarHBondContact O-N 2.64Å
64	I	41.1	Very low	56.5	Low	161 Å²	161	141.4 Å²	141.4	83%	0.826	70%	0.698	S	S	*	*			trans	-57.5	95.4	161	-60.7	169	0	0	0	104	E66	I64-E66 VanDerWaalsContact C-N 3.33Å; I64-E66 PolarHBondContact O-N 3.07Å
65	Q	43.3	Very low	59.3	Low	174 Å²	174	135.3 Å²	135.3	81%	0.813	68%	0.681	S	S	*	*			trans	-64	110.9	154.3	-78.5	175.5	-3.7	0	0	102.3	R63 E67	R63-Q65 PolarHBondContact O-N 2.64Å; Q65-E67 PolarHBondContact O-N 2.86Å
66	E	47.6	Very low	62.1	Low	169 Å²	169	128 Å²	128	79%	0.79	66%	0.662	S	S	*	*			trans	-42.2	118	156.2	-72.1	171.5	164	0	0	105.1	I64 E68	I64-E66 VanDerWaalsContact C-N 3.33Å; I64-E66 PolarHBondContact O-N 3.07Å; E66-E68 PolarHBondContact O-N 2.85Å
67	E	52.4	Low	65.2	Low	180 Å²	180	118.7 Å²	118.7	84%	0.841	63%	0.627	S	S	*	*			trans	-57.1	100.3	170.7	-80	179.4	157.1	0	0	104.4	Q65 V69	Q65-E67 PolarHBondContact O-N 2.86Å; E67-V69 VanDerWaalsContact C-N 3.35Å; E67-V69 VanDerWaalsContact O-CG2 3.26Å; E67-V69 WeakPolarHBondContact O-CG2 3.26Å; E67-V69 PolarHBondContact O-N 2.8Å
68	E	60.3	Low	68.1	Low	113 Å²	113	114.6 Å²	114.6	53%	0.528	60%	0.597	S	S	.	*			trans	-55.7	108.2	175.3	-76.6	-167.7	-174	0	0	105.4	E66 Y70 G163	E66-E68 PolarHBondContact O-N 2.85Å; E68-Y70 HydrophobicContact CB-CD1 4.36Å; E68-Y70 HydrophobicContact CB-CE1 3.76Å; E68-Y70 HydrophobicContact CB-CE2 4.2Å; E68-Y70 WeakPolarHBondContact O-CD2 3.32Å; E68-Y70 PolarHBondContact O-N 2.8Å; E68-Y70 VanDerWaalsContact OE2-CE1 3.25Å; E68-Y70 WeakPolarHBondContact OE2-CE1 3.42Å; E68-Y70 PolarHBondContact OE2-OH 3.28Å; E68-G163 WeakPolarHBondContact OE2-CA 3.45Å
69	V	80.1	Confident	70.6	Confident	139 Å²	139	116.4 Å²	116.4	84%	0.842	59%	0.594	S	S	*	*			trans	-76.7	83.6	-174	-175.3	0	0	0	0	106.8	E67	E67-V69 VanDerWaalsContact C-N 3.35Å; E67-V69 VanDerWaalsContact O-CG2 3.26Å; E67-V69 WeakPolarHBondContact O-CG2 3.26Å; E67-V69 PolarHBondContact O-N 2.8Å
70	Y	88.9	Confident	73.1	Confident	63 Å²	63	111.2 Å²	111.2	25%	0.247	57%	0.565	C	S	.	*			trans	-68.3	142.5	171.8	-57.2	-52.4	0	0	0	109.8	E68 E74 M75 V78 I162 G163	E68-Y70 HydrophobicContact CB-CD1 4.36Å; E68-Y70 HydrophobicContact CB-CE1 3.76Å; E68-Y70 HydrophobicContact CB-CE2 4.2Å; E68-Y70 WeakPolarHBondContact O-CD2 3.32Å; E68-Y70 PolarHBondContact O-N 2.8Å; E68-Y70 VanDerWaalsContact OE2-CE1 3.25Å; E68-Y70 WeakPolarHBondContact OE2-CE1 3.42Å; E68-Y70 PolarHBondContact OE2-OH 3.28Å; Y70-E74 HydrophobicContact CD1-CB 4.39Å; Y70-E74 HydrophobicContact CG-CB 4.32Å; Y70-M75 HydrophobicContact CD2-CE 3.95Å; Y70-V78 HydrophobicContact CD2-CG2 4.36Å; Y70-V78 HydrophobicContact CE2-CG2 4.27Å; Y70-I162 HydrophobicContact CD1-CG2 3.86Å; Y70-I162 HydrophobicContact CE1-CG2 3.86Å; Y70-I162 HydrophobicContact CG-CG2 4.44Å; Y70-G163 WeakPolarHBondContact OH-CA 3.37Å
71	N	93.2	Very high	75.6	Confident	79 Å²	79	102.6 Å²	102.6	42%	0.422	52%	0.521	S	S	.	.			trans	-71.3	170.8	169.2	70.2	56.2	0	0	0	111.3	E73 E74 M75	N71-E73 VanDerWaalsContact C-N 3.26Å; N71-E73 PolarHBondContact O-N 3.49Å; N71-E73 WeakPolarHBondContact OD1-CA 3.45Å; N71-E73 WeakPolarHBondContact OD1-CB 3.41Å; N71-E73 PolarHBondContact OD1-N 3.3Å; N71-E74 PolarHBondContact N-OE2 2.76Å; N71-E74 PolarHBondContact ND2-OE2 2.66Å; N71-E74 PolarHBondContact O-N 2.81Å; N71-E74 PolarHBondContact OD1-N 2.83Å; N71-M75 WeakPolarHBondContact O-CB 3.28Å; N71-M75 PolarHBondContact O-N 3.35Å
72	D	94.3	Very high	78.6	Confident	153 Å²	153	101.1 Å²	101.1	82%	0.818	50%	0.502	S	S	*	.	H	α-helix	trans	-58.3	-35.2	-176.3	-69.6	-22.5	0	0	0	113.5	S76	D72-S76 WeakPolarHBondContact O-CB 3.49Å; D72-S76 PolarHBondContact O-N 3.43Å
73	E	94.9	Very high	81.6	Confident	83 Å²	83	97.7 Å²	97.7	39%	0.388	47%	0.474	S	S	.	.	H	α-helix	trans	-70.4	-46.2	177.6	-179.2	177.9	-149.1	0	0	110.9	N71 M75 S76 Y77 P209	N71-E73 VanDerWaalsContact C-N 3.26Å; N71-E73 PolarHBondContact O-N 3.49Å; N71-E73 WeakPolarHBondContact OD1-CA 3.45Å; N71-E73 WeakPolarHBondContact OD1-CB 3.41Å; N71-E73 PolarHBondContact OD1-N 3.3Å; E73-M75 PolarHBondContact O-N 2.7Å; E73-S76 VanDerWaalsContact O-CB 3.28Å; E73-S76 WeakPolarHBondContact O-CB 3.01Å; E73-S76 PolarHBondContact O-N 2.98Å; E73-S76 VanDerWaalsContact O-N 3.16Å; E73-Y77 HydrophobicContact CG-CD2 4.22Å; E73-Y77 HydrophobicContact CG-CE2 3.59Å; E73-Y77 VanDerWaalsContact O-CD2 3.29Å; E73-Y77 WeakPolarHBondContact O-CD2 3.44Å; E73-Y77 PolarHBondContact O-N 3.19Å; E73-Y77 PolarHBondContact OE1-OH 3.38Å; E73-P209 VanDerWaalsContact OE1-CD 3.26Å; E73-P209 WeakPolarHBondContact OE1-CD 3.42Å; E73-P209 WeakPolarHBondContact OE1-CG 3.45Å
74	E	96.6	Very high	84.4	Confident	41 Å²	41	87.5 Å²	87.5	19%	0.192	44%	0.436	C	S	.	.	H	α-helix	trans	-61.1	-43.9	175.7	-72.8	174.1	150.4	0	0	111.9	Y70 N71 S76 Y77 V78 Q160 I162	Y70-E74 HydrophobicContact CD1-CB 4.39Å; Y70-E74 HydrophobicContact CG-CB 4.32Å; N71-E74 PolarHBondContact N-OE2 2.76Å; N71-E74 PolarHBondContact ND2-OE2 2.66Å; N71-E74 PolarHBondContact O-N 2.81Å; N71-E74 PolarHBondContact OD1-N 2.83Å; E74-S76 VanDerWaalsContact C-N 3.27Å; E74-S76 PolarHBondContact O-N 3Å; E74-Y77 PolarHBondContact O-N 3.3Å; E74-Y77 VanDerWaalsContact O-N 3.14Å; E74-V78 WeakPolarHBondContact O-CG2 3.28Å; E74-V78 PolarHBondContact O-N 2.82Å; E74-Q160 PolarHBondContact OE1-NE2 2.98Å; E74-I162 HydrophobicContact CB-CG2 3.86Å; E74-I162 HydrophobicContact CG-CD1 4.49Å; E74-I162 HydrophobicContact CG-CG1 4.27Å; E74-I162 HydrophobicContact CG-CG2 4.18Å
75	M	96.3	Very high	87.1	Confident	97 Å²	97	80.7 Å²	80.7	48%	0.478	40%	0.4	S	S	.	.	H	α-helix	trans	-62	-36.6	175.6	-168.9	62.2	70.3	0	0	111.7	Y70 N71 E73 V78 K79	Y70-M75 HydrophobicContact CD2-CE 3.95Å; N71-M75 WeakPolarHBondContact O-CB 3.28Å; N71-M75 PolarHBondContact O-N 3.35Å; E73-M75 PolarHBondContact O-N 2.7Å; M75-V78 PolarHBondContact O-N 3.46Å; M75-K79 WeakPolarHBondContact O-CB 3.3Å; M75-K79 PolarHBondContact O-N 3.49Å
76	S	97.7	Very high	89.7	Confident	59 Å²	59	78.4 Å²	78.4	41%	0.413	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-43.5	173.5	-177.8	0	0	0	0	111.8	D72 E73 E74 K79 Q80	D72-S76 WeakPolarHBondContact O-CB 3.49Å; D72-S76 PolarHBondContact O-N 3.43Å; E73-S76 VanDerWaalsContact O-CB 3.28Å; E73-S76 WeakPolarHBondContact O-CB 3.01Å; E73-S76 PolarHBondContact O-N 2.98Å; E73-S76 VanDerWaalsContact O-N 3.16Å; E74-S76 VanDerWaalsContact C-N 3.27Å; E74-S76 PolarHBondContact O-N 3Å; S76-K79 PolarHBondContact O-N 2.91Å; S76-Q80 VanDerWaalsContact O-CG 3.25Å; S76-Q80 WeakPolarHBondContact O-CG 3.46Å; S76-Q80 PolarHBondContact O-N 3.21Å; S76-Q80 PolarHBondContact O-NE2 3.07Å; S76-Q80 PolarHBondContact OG-NE2 3.1Å; S76-Q80 VanDerWaalsContact OG-NE2 3.09Å
77	Y	98.5	Very high	92.1	Very high	6 Å²	6	75.5 Å²	75.5	2%	0.024	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-45.6	175.9	-68	-49.5	0	0	0	112.3	E73 E74 K79 Q80 G81 I162 V168 V189 T206 Q207 H208	E73-Y77 HydrophobicContact CG-CD2 4.22Å; E73-Y77 HydrophobicContact CG-CE2 3.59Å; E73-Y77 VanDerWaalsContact O-CD2 3.29Å; E73-Y77 WeakPolarHBondContact O-CD2 3.44Å; E73-Y77 PolarHBondContact O-N 3.19Å; E73-Y77 PolarHBondContact OE1-OH 3.38Å; E74-Y77 PolarHBondContact O-N 3.3Å; E74-Y77 VanDerWaalsContact O-N 3.14Å; Y77-K79 VanDerWaalsContact C-N 3.3Å; Y77-K79 PolarHBondContact O-N 3.09Å; Y77-Q80 PolarHBondContact O-N 3.33Å; Y77-G81 PolarHBondContact O-N 2.98Å; Y77-I162 HydrophobicContact CD2-CD1 3.44Å; Y77-I162 VanDerWaalsContact CD2-CD1 3.44Å; Y77-I162 HydrophobicContact CE2-CD1 4.42Å; Y77-I162 HydrophobicContact CG-CD1 3.85Å; Y77-V168 HydrophobicContact CD1-CG2 3.87Å; Y77-V168 HydrophobicContact CD2-CG2 3.96Å; Y77-V168 HydrophobicContact CE1-CG2 3.98Å; Y77-V168 HydrophobicContact CE2-CG2 4.02Å; Y77-V168 HydrophobicContact CG-CG2 3.87Å; Y77-V189 WeakPolarHBondContact O-CG2 3.49Å; Y77-T206 HydrophobicContact CD1-CG2 4.13Å; Y77-T206 HydrophobicContact CE1-CG2 3.76Å; Y77-T206 VanDerWaalsContact CE1-OG1 3.29Å; Y77-T206 WeakPolarHBondContact CE1-OG1 3.34Å; Y77-Q207 VanDerWaalsContact CE1-O 3.31Å; Y77-Q207 WeakPolarHBondContact CE1-O 3.3Å; Y77-Q207 PolarHBondContact OH-O 3.01Å; Y77-H208 PolarHBondContact OH-CD2 2.94Å
78	V	98	Very high	94.2	Very high	21 Å²	21	66.9 Å²	66.9	13%	0.127	33%	0.334	C	S	.	.	H	α-helix	trans	-55.2	-49.3	176.2	172.3	0	0	0	0	110.1	Y70 E74 M75 Q80 G81 E82 I162 T166	Y70-V78 HydrophobicContact CD2-CG2 4.36Å; Y70-V78 HydrophobicContact CE2-CG2 4.27Å; E74-V78 WeakPolarHBondContact O-CG2 3.28Å; E74-V78 PolarHBondContact O-N 2.82Å; M75-V78 PolarHBondContact O-N 3.46Å; V78-Q80 PolarHBondContact O-N 3.26Å; V78-G81 PolarHBondContact O-N 3.18Å; V78-E82 WeakPolarHBondContact O-CG 3.33Å; V78-E82 PolarHBondContact O-N 2.99Å; V78-I162 HydrophobicContact CG2-CG2 3.74Å; V78-T166 HydrophobicContact CG2-CG2 4.35Å
79	K	98.1	Very high	95.9	Very high	130 Å²	130	64.6 Å²	64.6	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-60.2	-44.5	178.1	-174.3	180	178.8	-177.2	0	112.7	M75 S76 Y77 G81 E82 D83	M75-K79 WeakPolarHBondContact O-CB 3.3Å; M75-K79 PolarHBondContact O-N 3.49Å; S76-K79 PolarHBondContact O-N 2.91Å; Y77-K79 VanDerWaalsContact C-N 3.3Å; Y77-K79 PolarHBondContact O-N 3.09Å; K79-G81 VanDerWaalsContact C-N 3.32Å; K79-G81 PolarHBondContact O-N 3.5Å; K79-E82 PolarHBondContact O-N 3.11Å; K79-D83 WeakPolarHBondContact O-CB 3.44Å; K79-D83 VanDerWaalsContact O-CG 3.29Å; K79-D83 PolarHBondContact O-N 3.42Å
80	Q	98.5	Very high	96.7	Very high	42 Å²	42	61.3 Å²	61.3	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-61	-41.3	176.6	-72.7	169.2	62.5	0	0	111.7	S76 Y77 V78 D83 A84 V189 M204 T206	S76-Q80 VanDerWaalsContact O-CG 3.25Å; S76-Q80 WeakPolarHBondContact O-CG 3.46Å; S76-Q80 PolarHBondContact O-N 3.21Å; S76-Q80 PolarHBondContact O-NE2 3.07Å; S76-Q80 PolarHBondContact OG-NE2 3.1Å; S76-Q80 VanDerWaalsContact OG-NE2 3.09Å; Y77-Q80 PolarHBondContact O-N 3.33Å; V78-Q80 PolarHBondContact O-N 3.26Å; Q80-D83 PolarHBondContact O-N 3.36Å; Q80-A84 WeakPolarHBondContact O-CB 3.46Å; Q80-A84 PolarHBondContact O-N 3.37Å; Q80-V189 HydrophobicContact CB-CG1 3.69Å; Q80-M204 HydrophobicContact CB-SD 4.34Å; Q80-M204 WeakPolarHBondContact O-CE 3.41Å; Q80-T206 PolarHBondContact OE1-OG1 3.38Å
81	G	98.3	Very high	97.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-44.1	175.4	0	0	0	0	0	112.9	Y77 V78 K79 A84 L85	Y77-G81 PolarHBondContact O-N 2.98Å; V78-G81 PolarHBondContact O-N 3.18Å; K79-G81 VanDerWaalsContact C-N 3.32Å; K79-G81 PolarHBondContact O-N 3.5Å; G81-A84 WeakPolarHBondContact O-CB 3.2Å; G81-A84 PolarHBondContact O-N 3.29Å; G81-L85 PolarHBondContact O-N 3.47Å; G81-L85 VanDerWaalsContact O-N 3.1Å
82	E	97.7	Very high	97.2	Very high	72 Å²	72	56.4 Å²	56.4	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-67.9	-42.4	176.9	-67	-169.8	148.8	0	0	112.7	V78 K79 A84 L85 Q86 K193	V78-E82 WeakPolarHBondContact O-CG 3.33Å; V78-E82 PolarHBondContact O-N 2.99Å; K79-E82 PolarHBondContact O-N 3.11Å; E82-A84 VanDerWaalsContact C-N 3.28Å; E82-A84 PolarHBondContact O-N 3.08Å; E82-L85 PolarHBondContact O-N 3.28Å; E82-Q86 WeakPolarHBondContact O-CG 3.38Å; E82-Q86 PolarHBondContact O-N 3.28Å; E82-K193 IonicContact OE1-NZ 2.7Å; E82-K193 PolarHBondContact OE1-NZ 2.9Å
83	D	98.2	Very high	97.2	Very high	56 Å²	56	52.8 Å²	52.8	30%	0.299	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-38.8	175.7	-76.7	-12.9	0	0	0	110.9	K79 Q80 K87 M204	K79-D83 WeakPolarHBondContact O-CB 3.44Å; K79-D83 VanDerWaalsContact O-CG 3.29Å; K79-D83 PolarHBondContact O-N 3.42Å; Q80-D83 PolarHBondContact O-N 3.36Å; D83-K87 WeakPolarHBondContact O-CB 3.25Å; D83-K87 VanDerWaalsContact O-CG 3.25Å; D83-K87 WeakPolarHBondContact O-CG 3.43Å; D83-K87 PolarHBondContact O-N 3.3Å; D83-M204 HydrophobicContact CB-CE 4.14Å
84	A	98.2	Very high	97	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-48	175.8	0	0	0	0	0	110.9	Q80 G81 E82 K87 A88 A202 G203 M204	Q80-A84 WeakPolarHBondContact O-CB 3.46Å; Q80-A84 PolarHBondContact O-N 3.37Å; G81-A84 WeakPolarHBondContact O-CB 3.2Å; G81-A84 PolarHBondContact O-N 3.29Å; E82-A84 VanDerWaalsContact C-N 3.28Å; E82-A84 PolarHBondContact O-N 3.08Å; A84-K87 PolarHBondContact O-N 2.79Å; A84-A88 VanDerWaalsContact O-CB 3.24Å; A84-A88 WeakPolarHBondContact O-CB 3.29Å; A84-A88 PolarHBondContact O-N 2.99Å; A84-A202 HydrophobicContact CB-CB 4.41Å; A84-G203 WeakPolarHBondContact CB-O 3.46Å; A84-M204 HydrophobicContact CB-CB 4.2Å; A84-M204 HydrophobicContact CB-CE 3.47Å; A84-M204 VanDerWaalsContact CB-CE 3.47Å; A84-M204 HydrophobicContact CB-CG 4.13Å; A84-M204 VanDerWaalsContact N-CE 3.3Å
85	L	98.2	Very high	96.6	Very high	17 Å²	17	57.7 Å²	57.7	9%	0.089	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-48.1	179.1	-179.5	61.9	0	0	0	111.4	G81 E82 A88 I89 K193 F200 A202	G81-L85 PolarHBondContact O-N 3.47Å; G81-L85 VanDerWaalsContact O-N 3.1Å; E82-L85 PolarHBondContact O-N 3.28Å; L85-A88 PolarHBondContact O-N 3.49Å; L85-I89 HydrophobicContact CD1-CD1 3.74Å; L85-I89 HydrophobicContact CD1-CG1 4.2Å; L85-I89 HydrophobicContact CG-CD1 3.89Å; L85-I89 WeakPolarHBondContact O-CB 3.31Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.45Å; L85-I89 PolarHBondContact O-N 2.94Å; L85-K193 HydrophobicContact CD2-CB 4.06Å; L85-K193 HydrophobicContact CD2-CD 3.83Å; L85-K193 HydrophobicContact CD2-CG 4.13Å; L85-F200 HydrophobicContact CD1-CB 3.66Å; L85-F200 HydrophobicContact CD1-CD1 4Å; L85-F200 HydrophobicContact CD1-CG 3.95Å; L85-A202 VanDerWaalsContact CA-CB 3.49Å; L85-A202 HydrophobicContact CB-CB 3.64Å; L85-A202 HydrophobicContact CD1-CB 3.77Å; L85-A202 HydrophobicContact CG-CB 4.31Å
86	Q	97.6	Very high	96.3	Very high	127 Å²	127	59.7 Å²	59.7	59%	0.593	31%	0.308	S	S	*	.	H	α-helix	trans	-62.2	-47.5	180	-72.5	-178.6	5.3	0	0	111.9	E82 I89 S90	E82-Q86 WeakPolarHBondContact O-CG 3.38Å; E82-Q86 PolarHBondContact O-N 3.28Å; Q86-I89 PolarHBondContact O-N 3.15Å; Q86-S90 WeakPolarHBondContact O-CB 3.45Å; Q86-S90 PolarHBondContact O-N 3.07Å
87	K	97.6	Very high	96.1	Very high	107 Å²	107	59.6 Å²	59.6	47%	0.465	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-45.9	177.9	-72.9	173.7	-175.2	176.2	0	111.4	D83 A84 I89 S90 I91 P224	D83-K87 WeakPolarHBondContact O-CB 3.25Å; D83-K87 VanDerWaalsContact O-CG 3.25Å; D83-K87 WeakPolarHBondContact O-CG 3.43Å; D83-K87 PolarHBondContact O-N 3.3Å; A84-K87 PolarHBondContact O-N 2.79Å; K87-I89 PolarHBondContact O-N 3.28Å; K87-S90 WeakPolarHBondContact O-CB 3.36Å; K87-S90 PolarHBondContact O-N 3.11Å; K87-I91 VanDerWaalsContact O-CG1 3.3Å; K87-I91 WeakPolarHBondContact O-CG1 3.37Å; K87-I91 PolarHBondContact O-N 2.83Å; K87-P224 HydrophobicContact CB-CB 4.04Å; K87-P224 HydrophobicContact CB-CG 4.11Å; K87-P224 HydrophobicContact CD-CG 4.01Å
88	A	97.2	Very high	96.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-42.7	-179.9	0	0	0	0	0	112.4	A84 L85 S90 I91 L92 C226 L244	A84-A88 VanDerWaalsContact O-CB 3.24Å; A84-A88 WeakPolarHBondContact O-CB 3.29Å; A84-A88 PolarHBondContact O-N 2.99Å; L85-A88 PolarHBondContact O-N 3.49Å; A88-S90 VanDerWaalsContact C-N 3.32Å; A88-S90 PolarHBondContact O-N 3.39Å; A88-I91 PolarHBondContact O-N 2.87Å; A88-L92 WeakPolarHBondContact O-CB 3.3Å; A88-L92 VanDerWaalsContact O-CG 3.31Å; A88-L92 WeakPolarHBondContact O-CG 3.46Å; A88-L92 PolarHBondContact O-N 2.95Å; A88-C226 HydrophobicContact CB-CB 3.34Å; A88-L244 HydrophobicContact CB-CD2 3.77Å
89	I	96.3	Very high	96	Very high	64 Å²	64	64 Å²	64	33%	0.328	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-41.2	174.4	-70.8	171.3	0	0	0	110.8	L85 Q86 K87 I91 L92 S93 F200	L85-I89 HydrophobicContact CD1-CD1 3.74Å; L85-I89 HydrophobicContact CD1-CG1 4.2Å; L85-I89 HydrophobicContact CG-CD1 3.89Å; L85-I89 WeakPolarHBondContact O-CB 3.31Å; L85-I89 VanDerWaalsContact O-CG1 3.29Å; L85-I89 WeakPolarHBondContact O-CG1 3.45Å; L85-I89 PolarHBondContact O-N 2.94Å; Q86-I89 PolarHBondContact O-N 3.15Å; K87-I89 PolarHBondContact O-N 3.28Å; I89-I91 PolarHBondContact O-N 3.32Å; I89-L92 PolarHBondContact O-N 3.15Å; I89-S93 WeakPolarHBondContact O-CB 3.33Å; I89-S93 PolarHBondContact O-N 3.48Å; I89-S93 PolarHBondContact O-OG 3.48Å; I89-F200 HydrophobicContact CD1-CD1 4.27Å; I89-F200 HydrophobicContact CD1-CE1 4.05Å; I89-F200 HydrophobicContact CG1-CD1 4.45Å; I89-F200 HydrophobicContact CG1-CE1 4.24Å
90	S	96.6	Very high	96	Very high	71 Å²	71	61.7 Å²	61.7	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-58.7	-47.8	176	-169	0	0	0	0	111.4	Q86 K87 A88 L92 S93	Q86-S90 WeakPolarHBondContact O-CB 3.45Å; Q86-S90 PolarHBondContact O-N 3.07Å; K87-S90 WeakPolarHBondContact O-CB 3.36Å; K87-S90 PolarHBondContact O-N 3.11Å; A88-S90 VanDerWaalsContact C-N 3.32Å; A88-S90 PolarHBondContact O-N 3.39Å; S90-L92 PolarHBondContact O-N 3.16Å; S90-S93 WeakPolarHBondContact O-CB 3.21Å; S90-S93 PolarHBondContact O-N 3.09Å
91	I	96.9	Very high	95.9	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.056	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-44.6	178.3	-66.3	163	0	0	0	111.2	K87 A88 I89 S93 E94 W98 L115 I118 V121 L244	K87-I91 VanDerWaalsContact O-CG1 3.3Å; K87-I91 WeakPolarHBondContact O-CG1 3.37Å; K87-I91 PolarHBondContact O-N 2.83Å; A88-I91 PolarHBondContact O-N 2.87Å; I89-I91 PolarHBondContact O-N 3.32Å; I91-S93 VanDerWaalsContact C-N 3.27Å; I91-S93 PolarHBondContact O-N 3.4Å; I91-E94 PolarHBondContact O-N 3.45Å; I91-W98 HydrophobicContact CG2-CH2 3.98Å; I91-W98 HydrophobicContact CG2-CZ2 3.91Å; I91-L115 HydrophobicContact CD1-CD1 3.64Å; I91-L115 HydrophobicContact CG1-CD1 3.72Å; I91-L115 HydrophobicContact CG2-CD1 3.98Å; I91-I118 HydrophobicContact CD1-CD1 3.72Å; I91-V121 HydrophobicContact CG2-CG2 4.45Å; I91-L244 HydrophobicContact CB-CD2 4.03Å; I91-L244 HydrophobicContact CD1-CD2 4.01Å; I91-L244 HydrophobicContact CG2-CD1 3.82Å; I91-L244 HydrophobicContact CG2-CD2 3.95Å
92	L	96.2	Very high	95.8	Very high	27 Å²	27	65.5 Å²	65.5	14%	0.141	36%	0.359	C	S	.	.	H	α-helix	trans	-71.4	-20.4	-179.7	-70.9	175.2	0	0	0	113.5	A88 I89 S90 E94 Q95 K123 V228 T242 L244	A88-L92 WeakPolarHBondContact O-CB 3.3Å; A88-L92 VanDerWaalsContact O-CG 3.31Å; A88-L92 WeakPolarHBondContact O-CG 3.46Å; A88-L92 PolarHBondContact O-N 2.95Å; I89-L92 PolarHBondContact O-N 3.15Å; S90-L92 PolarHBondContact O-N 3.16Å; L92-E94 VanDerWaalsContact C-N 3.34Å; L92-Q95 PolarHBondContact O-NE2 3.49Å; L92-K123 HydrophobicContact CD2-CD 3.6Å; L92-K123 HydrophobicContact CD2-CG 4Å; L92-V228 HydrophobicContact CD1-CG2 3.7Å; L92-T242 HydrophobicContact CD1-CG2 4.46Å; L92-T242 HydrophobicContact CD2-CG2 3.86Å; L92-L244 HydrophobicContact CD1-CB 4.3Å; L92-L244 HydrophobicContact CD2-CB 4.08Å; L92-L244 HydrophobicContact CD2-CD1 4.44Å; L92-L244 HydrophobicContact CG-CB 4.27Å; L92-L244 HydrophobicContact CG-CD2 4.42Å
93	S	93.9	Very high	95.7	Very high	77 Å²	77	66.1 Å²	66.1	54%	0.538	37%	0.368	S	S	.	.	H	α-helix	trans	-73.9	-27.8	177.9	-61.8	0	0	0	0	112.1	I89 S90 I91 Q95	I89-S93 WeakPolarHBondContact O-CB 3.33Å; I89-S93 PolarHBondContact O-N 3.48Å; I89-S93 PolarHBondContact O-OG 3.48Å; S90-S93 WeakPolarHBondContact O-CB 3.21Å; S90-S93 PolarHBondContact O-N 3.09Å; I91-S93 VanDerWaalsContact C-N 3.27Å; I91-S93 PolarHBondContact O-N 3.4Å; S93-Q95 PolarHBondContact O-N 2.89Å; S93-Q95 PolarHBondContact O-NE2 3.17Å
94	E	90.9	Very high	95.4	Very high	91 Å²	91	64.7 Å²	64.7	43%	0.425	36%	0.364	S	S	.	.			trans	-72.7	110.1	175.2	-64.8	178	-153.8	0	0	110.7	I91 L92 W98 K113	I91-E94 PolarHBondContact O-N 3.45Å; L92-E94 VanDerWaalsContact C-N 3.34Å; E94-W98 PolarHBondContact O-NE1 2.84Å; E94-K113 IonicContact OE2-NZ 2.76Å; E94-K113 PolarHBondContact OE2-NZ 3Å
95	Q	87.1	Confident	95	Very high	136 Å²	136	70.3 Å²	70.3	64%	0.636	41%	0.41	S	S	*	.			trans	-79.8	-26.9	-179.3	-57.7	-52.3	-58.2	0	0	112.8	L92 S93	L92-Q95 PolarHBondContact O-NE2 3.49Å; S93-Q95 PolarHBondContact O-N 2.89Å; S93-Q95 PolarHBondContact O-NE2 3.17Å
96	D	90.8	Very high	94.7	Very high	139 Å²	139	74 Å²	74	74%	0.743	43%	0.43	S	S	*	.	S	Bend	trans	-93	156.2	-174.9	-59.5	-39	0	0	0	113.1	K113	D96-K113 PolarHBondContact O-NZ 2.91Å
97	G	93.7	Very high	94.5	Very high	58 Å²	58	70 Å²	70	60%	0.598	42%	0.423	S	S	*	.	S	Bend	trans	82.6	10.5	174.2	0	0	0	0	0	115.2
98	W	97.4	Very high	94.4	Very high	33 Å²	33	65.4 Å²	65.4	13%	0.125	40%	0.404	C	S	.	.			trans	-83	133.2	169.5	-66.8	95	0	0	0	110.9	I91 E94 L111 S112 K113 V121 K123 L244	I91-W98 HydrophobicContact CG2-CH2 3.98Å; I91-W98 HydrophobicContact CG2-CZ2 3.91Å; E94-W98 PolarHBondContact O-NE1 2.84Å; W98-L111 HydrophobicContact CB-CB 4.2Å; W98-L111 HydrophobicContact CB-CD2 3.71Å; W98-L111 HydrophobicContact CE3-CB 3.97Å; W98-L111 HydrophobicContact CG-CD2 4.5Å; W98-S112 CarbonylContact C-O 3.56Å; W98-S112 WeakPolarHBondContact CA-O 3.37Å; W98-K113 HydrophobicContact CD2-CB 4.01Å; W98-K113 HydrophobicContact CD2-CD 4.26Å; W98-K113 HydrophobicContact CE3-CB 3.65Å; W98-K113 HydrophobicContact CH2-CB 4.16Å; W98-K113 HydrophobicContact CZ2-CB 4.5Å; W98-K113 HydrophobicContact CZ2-CD 4.33Å; W98-K113 HydrophobicContact CZ3-CB 3.73Å; W98-V121 HydrophobicContact CH2-CG2 3.86Å; W98-V121 HydrophobicContact CZ3-CG2 4.02Å; W98-K123 HydrophobicContact CD2-CD 4.49Å; W98-K123 HydrophobicContact CE3-CB 3.97Å; W98-K123 HydrophobicContact CH2-CB 3.82Å; W98-K123 HydrophobicContact CH2-CD 4.24Å; W98-K123 HydrophobicContact CZ2-CD 4.15Å; W98-K123 HydrophobicContact CZ3-CB 3.48Å; W98-K123 VanDerWaalsContact CZ3-CB 3.48Å; W98-K123 HydrophobicContact CZ3-CD 4.44Å; W98-L244 HydrophobicContact CH2-CD1 3.86Å
99	T	97.6	Very high	94.5	Very high	87 Å²	87	69.9 Å²	69.9	53%	0.534	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.9	173.9	-59	0	0	0	0	109.4	E101 L111 S112	T99-E101 PolarHBondContact O-N 2.9Å; T99-L111 CarbonylContact O-C 3.59Å; T99-L111 WeakPolarHBondContact O-CA 3.46Å; T99-S112 PolarHBondContact N-O 2.98Å; T99-S112 PolarHBondContact O-N 3.33Å
100	V	97.4	Very high	94.6	Very high	81 Å²	81	66.9 Å²	66.9	49%	0.491	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.4	176.2	179.8	0	0	0	0	109.4	V103 L111	V100-V103 HydrophobicContact CG1-CG2 3.58Å; V100-L111 HydrophobicContact CG2-CD2 4.22Å; V100-L111 HydrophobicContact CG2-CG 4.46Å
101	E	96.6	Very high	94.6	Very high	66 Å²	66	64.3 Å²	64.3	31%	0.308	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-38.3	175.2	-63.3	-73.6	148.5	0	0	111	T99 V110 S112 K120 F122	T99-E101 PolarHBondContact O-N 2.9Å; E101-V110 HydrophobicContact CB-CG1 4.31Å; E101-V110 PolarHBondContact N-O 3.23Å; E101-S112 VanDerWaalsContact OE1-CB 3.31Å; E101-S112 WeakPolarHBondContact OE1-CB 3.42Å; E101-S112 PolarHBondContact OE1-OG 2.97Å; E101-K120 WeakPolarHBondContact OE1-CE 3.46Å; E101-K120 IonicContact OE1-NZ 2.69Å; E101-K120 PolarHBondContact OE1-NZ 2.81Å; E101-K120 IonicContact OE2-NZ 2.74Å; E101-K120 PolarHBondContact OE2-NZ 3.11Å; E101-F122 HydrophobicContact CG-CD1 4.33Å; E101-F122 HydrophobicContact CG-CE1 4.11Å
102	T	95.5	Very high	94.7	Very high	56 Å²	56	64 Å²	64	34%	0.344	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	144.8	-177.4	-59	0	0	0	0	110.7	K109 V110 S263	T102-K109 WeakPolarHBondContact O-CA 3.32Å; T102-V110 PolarHBondContact N-O 2.9Å; T102-V110 PolarHBondContact O-N 2.74Å; T102-S263 PolarHBondContact OG1-OG 3.22Å
103	V	96.3	Very high	94.7	Very high	84 Å²	84	64 Å²	64	51%	0.509	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.1	167.4	-173.7	0	0	0	0	107.6	V100 D108 K109	V100-V103 HydrophobicContact CG1-CG2 3.58Å; V103-D108 CarbonylContact C-O 3.53Å; V103-D108 VanDerWaalsContact CA-O 3.3Å; V103-D108 WeakPolarHBondContact CA-O 3.44Å; V103-K109 HydrophobicContact CG1-CG 4.26Å; V103-K109 HydrophobicContact CG2-CG 4.25Å
104	A	91.8	Very high	94.9	Very high	27 Å²	27	65.5 Å²	65.5	22%	0.223	39%	0.391	C	S	.	.			trans	-82.3	162.4	176.6	0	0	0	0	0	111.1	N106 G107 D108	A104-N106 VanDerWaalsContact CB-OD1 3.28Å; A104-N106 WeakPolarHBondContact CB-OD1 3.43Å; A104-N106 PolarHBondContact O-N 2.94Å; A104-G107 PolarHBondContact O-N 2.81Å; A104-D108 HydrophobicContact CB-CB 4.04Å; A104-D108 PolarHBondContact N-O 2.8Å
105	A	90.4	Very high	95.1	Very high	117 Å²	117	61.9 Å²	61.9	97%	0.967	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.6	-176.9	0	0	0	0	0	113.7	G107	A105-G107 PolarHBondContact O-N 3.3Å
106	N	90.6	Very high	95.3	Very high	96 Å²	96	61.6 Å²	61.6	51%	0.513	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	1.7	175.6	66.4	-9.3	0	0	0	113.5	A104 D108 R274	A104-N106 VanDerWaalsContact CB-OD1 3.28Å; A104-N106 WeakPolarHBondContact CB-OD1 3.43Å; A104-N106 PolarHBondContact O-N 2.94Å; N106-D108 VanDerWaalsContact ND2-CG 3.34Å; N106-D108 PolarHBondContact ND2-OD2 3.12Å; N106-D108 WeakPolarHBondContact OD1-CB 3.2Å; N106-D108 PolarHBondContact OD1-N 3.24Å; N106-D108 VanDerWaalsContact OD1-N 3.11Å; N106-D108 PolarHBondContact OD1-OD2 2.79Å; N106-R274 PolarHBondContact ND2-NH1 2.8Å
107	G	93.8	Very high	95.1	Very high	43 Å²	43	62.7 Å²	62.7	44%	0.443	39%	0.391	S	S	.	.	S	Bend	trans	92	-0.7	179.8	0	0	0	0	0	115.3	A104 A105	A104-G107 PolarHBondContact O-N 2.81Å; A105-G107 PolarHBondContact O-N 3.3Å
108	D	96.3	Very high	95.1	Very high	10 Å²	10	62.8 Å²	62.8	5%	0.053	38%	0.377	C	S	.	.			trans	-62.3	140.9	175.4	-66.1	-16.3	0	0	0	111.3	V103 A104 N106 V126 R274	V103-D108 CarbonylContact C-O 3.53Å; V103-D108 VanDerWaalsContact CA-O 3.3Å; V103-D108 WeakPolarHBondContact CA-O 3.44Å; A104-D108 HydrophobicContact CB-CB 4.04Å; A104-D108 PolarHBondContact N-O 2.8Å; N106-D108 VanDerWaalsContact ND2-CG 3.34Å; N106-D108 PolarHBondContact ND2-OD2 3.12Å; N106-D108 WeakPolarHBondContact OD1-CB 3.2Å; N106-D108 PolarHBondContact OD1-N 3.24Å; N106-D108 VanDerWaalsContact OD1-N 3.11Å; N106-D108 PolarHBondContact OD1-OD2 2.79Å; D108-V126 HydrophobicContact CB-CG1 3.62Å; D108-V126 WeakPolarHBondContact OD1-CB 3.24Å; D108-V126 WeakPolarHBondContact OD1-CG1 3.31Å; D108-R274 IonicContact OD1-CZ 3.24Å; D108-R274 IonicContact OD1-NH1 3.68Å; D108-R274 IonicContact OD1-NH2 2.79Å; D108-R274 PolarHBondContact OD1-NH2 3.36Å; D108-R274 IonicContact OD2-CZ 3.44Å; D108-R274 IonicContact OD2-NH1 3.67Å; D108-R274 PolarHBondContact OD2-NH1 3.34Å; D108-R274 IonicContact OD2-NH2 2.81Å; D108-R274 PolarHBondContact OD2-NH2 3.44Å
109	K	97.7	Very high	94.9	Very high	93 Å²	93	62.6 Å²	62.6	40%	0.404	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.5	-178.4	-60.3	-179.2	-174.5	173	0	110.8	T102 V103 L111 L124 E125	T102-K109 WeakPolarHBondContact O-CA 3.32Å; V103-K109 HydrophobicContact CG1-CG 4.26Å; V103-K109 HydrophobicContact CG2-CG 4.25Å; K109-L111 HydrophobicContact CB-CD1 3.95Å; K109-L124 CarbonylContact O-C 3.52Å; K109-L124 WeakPolarHBondContact O-CA 3.22Å; K109-E125 PolarHBondContact N-O 3.1Å; K109-E125 PolarHBondContact O-N 2.76Å
110	V	98.3	Very high	94.9	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.006	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.2	162.7	179.5	0	0	0	0	107.9	E101 T102 F122 K123 L124 S263 Q266 V267	E101-V110 HydrophobicContact CB-CG1 4.31Å; E101-V110 PolarHBondContact N-O 3.23Å; T102-V110 PolarHBondContact N-O 2.9Å; T102-V110 PolarHBondContact O-N 2.74Å; V110-F122 HydrophobicContact CG1-CD1 4.12Å; V110-K123 CarbonylContact C-O 3.6Å; V110-K123 WeakPolarHBondContact CA-O 3.42Å; V110-L124 HydrophobicContact CG2-CD1 3.88Å; V110-S263 WeakPolarHBondContact CG1-OG 3.47Å; V110-Q266 HydrophobicContact CG2-CB 4Å; V110-V267 HydrophobicContact CG2-CG2 3.78Å
111	L	98.3	Very high	94.9	Very high	17 Å²	17	57.4 Å²	57.4	9%	0.089	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	162	175.7	-57.7	94.7	0	0	0	109.8	W98 T99 V100 K109 F122 K123 E125	W98-L111 HydrophobicContact CB-CB 4.2Å; W98-L111 HydrophobicContact CB-CD2 3.71Å; W98-L111 HydrophobicContact CE3-CB 3.97Å; W98-L111 HydrophobicContact CG-CD2 4.5Å; T99-L111 CarbonylContact O-C 3.59Å; T99-L111 WeakPolarHBondContact O-CA 3.46Å; V100-L111 HydrophobicContact CG2-CD2 4.22Å; V100-L111 HydrophobicContact CG2-CG 4.46Å; K109-L111 HydrophobicContact CB-CD1 3.95Å; L111-F122 CarbonylContact O-C 3.6Å; L111-F122 VanDerWaalsContact O-CA 3.27Å; L111-F122 WeakPolarHBondContact O-CA 3.37Å; L111-K123 HydrophobicContact CB-CB 4.48Å; L111-K123 PolarHBondContact N-O 3.3Å; L111-K123 PolarHBondContact O-N 3.41Å; L111-E125 HydrophobicContact CD1-CG 4.13Å
112	S	98.1	Very high	95	Very high	5 Å²	5	54.3 Å²	54.3	4%	0.035	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.9	172	80.5	0	0	0	0	112.6	W98 T99 E101 K120 V121	W98-S112 CarbonylContact C-O 3.56Å; W98-S112 WeakPolarHBondContact CA-O 3.37Å; T99-S112 PolarHBondContact N-O 2.98Å; T99-S112 PolarHBondContact O-N 3.33Å; E101-S112 VanDerWaalsContact OE1-CB 3.31Å; E101-S112 WeakPolarHBondContact OE1-CB 3.42Å; E101-S112 PolarHBondContact OE1-OG 2.97Å; S112-K120 WeakPolarHBondContact OG-CE 3.25Å; S112-V121 CarbonylContact C-O 3.49Å; S112-V121 WeakPolarHBondContact CA-O 3.03Å; S112-V121 WeakPolarHBondContact CB-O 3.21Å
113	K	97.1	Very high	95.1	Very high	26 Å²	26	52.1 Å²	52.1	11%	0.113	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	142.2	174.8	-176.7	166.7	177.5	172.6	0	109.6	E94 D96 W98 L115 K120 V121	E94-K113 IonicContact OE2-NZ 2.76Å; E94-K113 PolarHBondContact OE2-NZ 3Å; D96-K113 PolarHBondContact O-NZ 2.91Å; W98-K113 HydrophobicContact CD2-CB 4.01Å; W98-K113 HydrophobicContact CD2-CD 4.26Å; W98-K113 HydrophobicContact CE3-CB 3.65Å; W98-K113 HydrophobicContact CH2-CB 4.16Å; W98-K113 HydrophobicContact CZ2-CB 4.5Å; W98-K113 HydrophobicContact CZ2-CD 4.33Å; W98-K113 HydrophobicContact CZ3-CB 3.73Å; K113-L115 HydrophobicContact CD-CD2 4.02Å; K113-L115 HydrophobicContact CG-CD2 4Å; K113-K120 CarbonylContact O-C 3.4Å; K113-K120 WeakPolarHBondContact O-CA 3.47Å; K113-V121 HydrophobicContact CB-CG2 4.2Å; K113-V121 PolarHBondContact N-O 2.91Å; K113-V121 WeakPolarHBondContact O-CG2 3.42Å; K113-V121 PolarHBondContact O-N 2.91Å
114	V	96.8	Very high	95.2	Very high	109 Å²	109	48.1 Å²	48.1	66%	0.661	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.8	172.9	-177.1	0	0	0	0	108.5	K120	V114-K120 HydrophobicContact CG2-CB 4.19Å; V114-K120 HydrophobicContact CG2-CG 4.22Å
115	L	95.1	Very high	95.5	Very high	16 Å²	16	49.5 Å²	49.5	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	140.6	179.5	-59.9	175.7	0	0	0	109.9	I91 K113 D117 I118 G119 V121	I91-L115 HydrophobicContact CD1-CD1 3.64Å; I91-L115 HydrophobicContact CG1-CD1 3.72Å; I91-L115 HydrophobicContact CG2-CD1 3.98Å; K113-L115 HydrophobicContact CD-CD2 4.02Å; K113-L115 HydrophobicContact CG-CD2 4Å; L115-D117 PolarHBondContact O-N 2.86Å; L115-I118 HydrophobicContact CB-CB 4.11Å; L115-I118 HydrophobicContact CD1-CB 4.31Å; L115-I118 HydrophobicContact CD1-CD1 3.96Å; L115-I118 PolarHBondContact O-N 2.8Å; L115-G119 PolarHBondContact N-O 2.89Å; L115-G119 WeakPolarHBondContact O-CA 3.35Å; L115-G119 PolarHBondContact O-N 2.93Å; L115-V121 HydrophobicContact CD1-CG1 3.93Å; L115-V121 HydrophobicContact CD1-CG2 3.89Å; L115-V121 HydrophobicContact CG-CG2 4.21Å
116	P	90.9	Very high	95.9	Very high	129 Å²	129	44.3 Å²	44.3	84%	0.838	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-44.1	-175.2	-28.9	35.6	0	0	0	114.9
117	D	88.4	Confident	96.2	Very high	162 Å²	162	43 Å²	43	87%	0.866	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-8	-172.4	-57.4	-41.1	0	0	0	114.1	L115	L115-D117 PolarHBondContact O-N 2.86Å
118	I	92.1	Very high	96.4	Very high	61 Å²	61	41.1 Å²	41.1	31%	0.313	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-27.9	-173.1	-59.7	173.2	0	0	0	111.3	I91 L115 V121 P224 S246	I91-I118 HydrophobicContact CD1-CD1 3.72Å; L115-I118 HydrophobicContact CB-CB 4.11Å; L115-I118 HydrophobicContact CD1-CB 4.31Å; L115-I118 HydrophobicContact CD1-CD1 3.96Å; L115-I118 PolarHBondContact O-N 2.8Å; I118-V121 HydrophobicContact CG2-CG1 3.71Å; I118-P224 HydrophobicContact CD1-CG 4.12Å; I118-S246 WeakPolarHBondContact CG2-OG 3.49Å
119	G	94.1	Very high	96.4	Very high	28 Å²	28	46.2 Å²	46.2	29%	0.289	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.4	-153.3	-171.2	0	0	0	0	0	112.5	L115 V121	L115-G119 PolarHBondContact N-O 2.89Å; L115-G119 WeakPolarHBondContact O-CA 3.35Å; L115-G119 PolarHBondContact O-N 2.93Å; G119-V121 PolarHBondContact O-N 2.95Å
120	K	96.5	Very high	96.4	Very high	59 Å²	59	43.1 Å²	43.1	26%	0.257	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.9	-175.7	-166.9	173.6	-178.4	177.5	0	110.3	E101 S112 K113 V114 F122	E101-K120 WeakPolarHBondContact OE1-CE 3.46Å; E101-K120 IonicContact OE1-NZ 2.69Å; E101-K120 PolarHBondContact OE1-NZ 2.81Å; E101-K120 IonicContact OE2-NZ 2.74Å; E101-K120 PolarHBondContact OE2-NZ 3.11Å; S112-K120 WeakPolarHBondContact OG-CE 3.25Å; K113-K120 CarbonylContact O-C 3.4Å; K113-K120 WeakPolarHBondContact O-CA 3.47Å; V114-K120 HydrophobicContact CG2-CB 4.19Å; V114-K120 HydrophobicContact CG2-CG 4.22Å; K120-F122 HydrophobicContact CD-CE2 4.29Å; K120-F122 HydrophobicContact CD-CZ 3.97Å; K120-F122 HydrophobicContact CG-CE2 4.16Å; K120-F122 HydrophobicContact CG-CZ 4.29Å
121	V	97.7	Very high	96.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	155.3	172.5	-59.9	0	0	0	0	110.2	I91 W98 S112 K113 L115 I118 G119 L244 L245	I91-V121 HydrophobicContact CG2-CG2 4.45Å; W98-V121 HydrophobicContact CH2-CG2 3.86Å; W98-V121 HydrophobicContact CZ3-CG2 4.02Å; S112-V121 CarbonylContact C-O 3.49Å; S112-V121 WeakPolarHBondContact CA-O 3.03Å; S112-V121 WeakPolarHBondContact CB-O 3.21Å; K113-V121 HydrophobicContact CB-CG2 4.2Å; K113-V121 PolarHBondContact N-O 2.91Å; K113-V121 WeakPolarHBondContact O-CG2 3.42Å; K113-V121 PolarHBondContact O-N 2.91Å; L115-V121 HydrophobicContact CD1-CG1 3.93Å; L115-V121 HydrophobicContact CD1-CG2 3.89Å; L115-V121 HydrophobicContact CG-CG2 4.21Å; I118-V121 HydrophobicContact CG2-CG1 3.71Å; G119-V121 PolarHBondContact O-N 2.95Å; V121-L244 HydrophobicContact CB-CD1 4.12Å; V121-L244 HydrophobicContact CG2-CD1 4.07Å; V121-L245 WeakPolarHBondContact CA-O 3.44Å
122	F	98.4	Very high	96.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146	178	-65.2	-97.9	0	0	0	110.2	E101 V110 L111 K120 L244 L245 N259 L262	E101-F122 HydrophobicContact CG-CD1 4.33Å; E101-F122 HydrophobicContact CG-CE1 4.11Å; V110-F122 HydrophobicContact CG1-CD1 4.12Å; L111-F122 CarbonylContact O-C 3.6Å; L111-F122 VanDerWaalsContact O-CA 3.27Å; L111-F122 WeakPolarHBondContact O-CA 3.37Å; K120-F122 HydrophobicContact CD-CE2 4.29Å; K120-F122 HydrophobicContact CD-CZ 3.97Å; K120-F122 HydrophobicContact CG-CE2 4.16Å; K120-F122 HydrophobicContact CG-CZ 4.29Å; F122-L244 CarbonylContact O-C 3.56Å; F122-L244 WeakPolarHBondContact O-CA 3.5Å; F122-L245 HydrophobicContact CB-CB 4.49Å; F122-L245 PolarHBondContact N-O 3.24Å; F122-L245 PolarHBondContact O-N 3.03Å; F122-N259 HydrophobicContact CZ-CB 3.97Å; F122-L262 HydrophobicContact CD2-CB 4.03Å; F122-L262 HydrophobicContact CD2-CD1 4.02Å; F122-L262 HydrophobicContact CE2-CB 3.95Å; F122-L262 HydrophobicContact CE2-CD1 3.71Å; F122-L262 HydrophobicContact CE2-CG 4.46Å; F122-L262 HydrophobicContact CG-CB 4.46Å; F122-L262 HydrophobicContact CZ-CB 4.28Å
123	K	98.4	Very high	96.1	Very high	10 Å²	10	48 Å²	48	4%	0.043	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	114.8	179.9	-178.4	-176.8	63.1	157.4	0	108.9	L92 W98 V110 L111 E125 T242 W243	L92-K123 HydrophobicContact CD2-CD 3.6Å; L92-K123 HydrophobicContact CD2-CG 4Å; W98-K123 HydrophobicContact CD2-CD 4.49Å; W98-K123 HydrophobicContact CE3-CB 3.97Å; W98-K123 HydrophobicContact CH2-CB 3.82Å; W98-K123 HydrophobicContact CH2-CD 4.24Å; W98-K123 HydrophobicContact CZ2-CD 4.15Å; W98-K123 HydrophobicContact CZ3-CB 3.48Å; W98-K123 VanDerWaalsContact CZ3-CB 3.48Å; W98-K123 HydrophobicContact CZ3-CD 4.44Å; V110-K123 CarbonylContact C-O 3.6Å; V110-K123 WeakPolarHBondContact CA-O 3.42Å; L111-K123 HydrophobicContact CB-CB 4.48Å; L111-K123 PolarHBondContact N-O 3.3Å; L111-K123 PolarHBondContact O-N 3.41Å; K123-E125 HydrophobicContact CD-CG 4.26Å; K123-E125 VanDerWaalsContact CE-OE1 3.3Å; K123-E125 WeakPolarHBondContact CE-OE1 3.36Å; K123-E125 HydrophobicContact CG-CG 4.22Å; K123-E125 IonicContact NZ-OE1 2.6Å; K123-E125 PolarHBondContact NZ-OE1 3.42Å; K123-T242 HydrophobicContact CD-CG2 4.11Å; K123-T242 HydrophobicContact CG-CG2 3.89Å; K123-W243 CarbonylContact C-O 3.53Å; K123-W243 WeakPolarHBondContact CA-O 3.15Å
124	L	98.7	Very high	96.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.7	169.7	176	68.6	0	0	0	109.3	K109 V110 V126 F241 T242 W243 Q266 A270	K109-L124 CarbonylContact O-C 3.52Å; K109-L124 WeakPolarHBondContact O-CA 3.22Å; V110-L124 HydrophobicContact CG2-CD1 3.88Å; L124-V126 HydrophobicContact CD1-CG1 3.51Å; L124-V126 HydrophobicContact CD2-CG1 4.33Å; L124-V126 HydrophobicContact CG-CG1 3.8Å; L124-F241 HydrophobicContact CD2-CD1 4.43Å; L124-F241 HydrophobicContact CD2-CE1 4.13Å; L124-T242 CarbonylContact O-C 3.57Å; L124-T242 VanDerWaalsContact O-CA 3.25Å; L124-T242 WeakPolarHBondContact O-CA 3.46Å; L124-W243 HydrophobicContact CB-CB 4.13Å; L124-W243 HydrophobicContact CD2-CB 4.34Å; L124-W243 HydrophobicContact CD2-CE3 4.01Å; L124-W243 PolarHBondContact N-O 3.44Å; L124-W243 PolarHBondContact O-N 2.95Å; L124-Q266 HydrophobicContact CB-CB 4.09Å; L124-Q266 HydrophobicContact CB-CG 4.42Å; L124-Q266 HydrophobicContact CD1-CB 4.23Å; L124-Q266 HydrophobicContact CD2-CB 4.26Å; L124-Q266 WeakPolarHBondContact CD2-O 3.39Å; L124-Q266 HydrophobicContact CG-CB 4.42Å; L124-A270 HydrophobicContact CD2-CB 4.15Å
125	E	98.3	Very high	96.2	Very high	56 Å²	56	44.6 Å²	44.6	26%	0.262	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.3	172.5	-66.1	-174	153	0	0	109.6	K109 L111 K123 T242	K109-E125 PolarHBondContact N-O 3.1Å; K109-E125 PolarHBondContact O-N 2.76Å; L111-E125 HydrophobicContact CD1-CG 4.13Å; K123-E125 HydrophobicContact CD-CG 4.26Å; K123-E125 VanDerWaalsContact CE-OE1 3.3Å; K123-E125 WeakPolarHBondContact CE-OE1 3.36Å; K123-E125 HydrophobicContact CG-CG 4.22Å; K123-E125 IonicContact NZ-OE1 2.6Å; K123-E125 PolarHBondContact NZ-OE1 3.42Å; E125-T242 HydrophobicContact CG-CG2 4.46Å
126	V	98.1	Very high	96.3	Very high	8 Å²	8	45.7 Å²	45.7	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155	-177.3	-54.4	0	0	0	0	111	D108 L124 M128 F241 A270	D108-V126 HydrophobicContact CB-CG1 3.62Å; D108-V126 WeakPolarHBondContact OD1-CB 3.24Å; D108-V126 WeakPolarHBondContact OD1-CG1 3.31Å; L124-V126 HydrophobicContact CD1-CG1 3.51Å; L124-V126 HydrophobicContact CD2-CG1 4.33Å; L124-V126 HydrophobicContact CG-CG1 3.8Å; V126-M128 HydrophobicContact CG2-CE 3.6Å; V126-M128 HydrophobicContact CG2-CG 4.28Å; V126-M128 HydrophobicContact CG2-SD 4.43Å; V126-F241 HydrophobicContact CG2-CB 3.66Å; V126-F241 HydrophobicContact CG2-CD1 3.65Å; V126-F241 HydrophobicContact CG2-CG 3.99Å; V126-F241 PolarHBondContact N-O 2.94Å; V126-F241 PolarHBondContact O-N 3.44Å; V126-F241 VanDerWaalsContact O-O 3.13Å; V126-A270 HydrophobicContact CG1-CB 4.14Å
127	V	97.9	Very high	96.6	Very high	69 Å²	69	42.9 Å²	42.9	42%	0.418	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129	166.5	179.6	0	0	0	0	108.2	K238 T239 R274	V127-K238 HydrophobicContact CG1-CB 4.29Å; V127-K238 HydrophobicContact CG1-CD 4.44Å; V127-T239 WeakPolarHBondContact CA-O 3.41Å; V127-R274 PolarHBondContact O-NH2 3.45Å
128	M	97.4	Very high	97.1	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.1	175	-65.2	-67.3	-177.3	0	0	108.8	V126 Q130 L135 K238 T239 F241 A270 L273 R274	V126-M128 HydrophobicContact CG2-CE 3.6Å; V126-M128 HydrophobicContact CG2-CG 4.28Å; V126-M128 HydrophobicContact CG2-SD 4.43Å; M128-Q130 PolarHBondContact O-N 2.86Å; M128-L135 HydrophobicContact CB-CD1 3.86Å; M128-L135 HydrophobicContact CG-CD1 4.13Å; M128-K238 WeakPolarHBondContact O-CA 3.36Å; M128-T239 PolarHBondContact N-O 3.49Å; M128-T239 PolarHBondContact O-N 3.34Å; M128-F241 HydrophobicContact CG-CB 3.93Å; M128-F241 HydrophobicContact CG-CG 4.37Å; M128-A270 HydrophobicContact CE-CB 4.16Å; M128-L273 HydrophobicContact CE-CB 4.31Å; M128-L273 HydrophobicContact CE-CD2 3.79Å; M128-L273 HydrophobicContact CE-CG 4.21Å; M128-R274 HydrophobicContact CE-CG 4.3Å; M128-R274 HydrophobicContact SD-CG 3.55Å; M128-R274 VanDerWaalsContact SD-CG 3.55Å
129	E	96.5	Very high	97.3	Very high	117 Å²	117	32.4 Å²	32.4	55%	0.547	17%	0.166	S	C	.	.	S	Bend	trans	-78.3	53.3	176.3	-61.3	-64.9	152.1	0	0	110.6	K238	E129-K238 IonicContact OE1-NZ 2.97Å; E129-K238 PolarHBondContact OE1-NZ 3.29Å; E129-K238 VanDerWaalsContact OE2-CD 3.31Å; E129-K238 WeakPolarHBondContact OE2-CD 3.49Å; E129-K238 WeakPolarHBondContact OE2-CE 3.32Å; E129-K238 IonicContact OE2-NZ 3.49Å; E129-K238 PolarHBondContact OE2-NZ 2.93Å
130	Q	96.7	Very high	97.5	Very high	27 Å²	27	31.5 Å²	31.5	13%	0.126	16%	0.155	C	C	.	.	S	Bend	trans	-149.9	144.8	-175.5	-70.2	-62.7	-43.8	0	0	110.4	M128 N134 L135 N237 K238 T239 M277	M128-Q130 PolarHBondContact O-N 2.86Å; Q130-N134 PolarHBondContact OE1-ND2 3.45Å; Q130-N134 VanDerWaalsContact OE1-ND2 3.1Å; Q130-L135 HydrophobicContact CB-CD1 4.35Å; Q130-L135 HydrophobicContact CB-CD2 4.11Å; Q130-L135 HydrophobicContact CB-CG 4.01Å; Q130-L135 HydrophobicContact CG-CD2 4.42Å; Q130-N237 CarbonylContact C-O 3.57Å; Q130-K238 CarbonylContact O-C 3.59Å; Q130-T239 PolarHBondContact O-N 3.44Å; Q130-T239 PolarHBondContact O-OG1 3.42Å; Q130-M277 HydrophobicContact CG-CB 3.61Å; Q130-M277 HydrophobicContact CG-CE 4.1Å; Q130-M277 HydrophobicContact CG-CG 3.96Å
131	H	96.7	Very high	97.5	Very high	63 Å²	63	35 Å²	35	29%	0.292	17%	0.172	S	C	.	.			trans	-65.2	143.6	172.2	-171.2	-97.6	0	0	0	109.8	D133 N134 L135 P236 N237	H131-D133 IonicContact CE1-OD2 2.85Å; H131-D133 PolarHBondContact CE1-OD2 3.38Å; H131-D133 PolarHBondContact ND1-N 3.28Å; H131-D133 IonicContact ND1-OD2 3.65Å; H131-D133 PolarHBondContact ND1-OD2 3.23Å; H131-D133 PolarHBondContact O-N 3.4Å; H131-D133 VanDerWaalsContact O-N 3.1Å; H131-N134 PolarHBondContact O-N 3.19Å; H131-N134 VanDerWaalsContact O-N 3.09Å; H131-L135 PolarHBondContact O-N 3.38Å; H131-P236 PolarHBondContact CD2-O 3.27Å; H131-N237 PolarHBondContact N-O 3.31Å
132	P	96.9	Very high	97.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-56.1	-30.2	-177.5	-28	33.9	0	0	0	114.6	L135 Y136 M229 P231 T239	P132-L135 PolarHBondContact O-N 3.34Å; P132-Y136 WeakPolarHBondContact O-CB 3.47Å; P132-Y136 PolarHBondContact O-N 2.96Å; P132-M229 HydrophobicContact CB-CB 4.41Å; P132-P231 HydrophobicContact CG-CB 4.28Å; P132-P231 HydrophobicContact CG-CG 3.89Å; P132-T239 WeakPolarHBondContact CA-OG1 3.45Å; P132-T239 VanDerWaalsContact CD-OG1 3.27Å; P132-T239 WeakPolarHBondContact CD-OG1 3.37Å; P132-T239 HydrophobicContact CG-CG2 4.28Å; P132-T239 VanDerWaalsContact CG-OG1 3.3Å; P132-T239 WeakPolarHBondContact CG-OG1 3.27Å; P132-T239 VanDerWaalsContact N-OG1 3.15Å
133	D	96.1	Very high	97.4	Very high	63 Å²	63	38.2 Å²	38.2	34%	0.337	19%	0.186	S	C	.	.	H	α-helix	trans	-68.8	-37.2	179.4	-66.3	-24.3	0	0	0	112.4	H131 L135 Y136 E137 R194	H131-D133 IonicContact CE1-OD2 2.85Å; H131-D133 PolarHBondContact CE1-OD2 3.38Å; H131-D133 PolarHBondContact ND1-N 3.28Å; H131-D133 IonicContact ND1-OD2 3.65Å; H131-D133 PolarHBondContact ND1-OD2 3.23Å; H131-D133 PolarHBondContact O-N 3.4Å; H131-D133 VanDerWaalsContact O-N 3.1Å; D133-L135 VanDerWaalsContact C-N 3.29Å; D133-L135 PolarHBondContact O-N 2.74Å; D133-Y136 WeakPolarHBondContact O-CB 3.27Å; D133-Y136 PolarHBondContact O-N 2.88Å; D133-E137 PolarHBondContact O-N 3.48Å; D133-R194 IonicContact OD1-CZ 3.91Å; D133-R194 IonicContact OD1-NH1 2.77Å; D133-R194 PolarHBondContact OD1-NH1 3.43Å; D133-R194 IonicContact OD1-NH2 3.3Å; D133-R194 PolarHBondContact OD1-NH2 3.37Å
134	N	97.1	Very high	97.4	Very high	63 Å²	63	42.7 Å²	42.7	34%	0.337	21%	0.207	S	C	.	.	H	α-helix	trans	-64.1	-39	176.1	-58.3	-0.3	0	0	0	110.8	Q130 H131 E138 M277	Q130-N134 PolarHBondContact OE1-ND2 3.45Å; Q130-N134 VanDerWaalsContact OE1-ND2 3.1Å; H131-N134 PolarHBondContact O-N 3.19Å; H131-N134 VanDerWaalsContact O-N 3.09Å; N134-E138 PolarHBondContact O-N 3.34Å; N134-E138 VanDerWaalsContact O-N 3.15Å; N134-M277 HydrophobicContact CB-CE 3.57Å
135	L	97.9	Very high	97.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-70.4	-36.9	175.6	-63.6	173.9	0	0	0	111.6	M128 Q130 H131 P132 D133 E138 L139 M229 T239 F241 L273 M277	M128-L135 HydrophobicContact CB-CD1 3.86Å; M128-L135 HydrophobicContact CG-CD1 4.13Å; Q130-L135 HydrophobicContact CB-CD1 4.35Å; Q130-L135 HydrophobicContact CB-CD2 4.11Å; Q130-L135 HydrophobicContact CB-CG 4.01Å; Q130-L135 HydrophobicContact CG-CD2 4.42Å; H131-L135 PolarHBondContact O-N 3.38Å; P132-L135 PolarHBondContact O-N 3.34Å; D133-L135 VanDerWaalsContact C-N 3.29Å; D133-L135 PolarHBondContact O-N 2.74Å; L135-E138 PolarHBondContact O-N 2.92Å; L135-L139 WeakPolarHBondContact O-CB 3.22Å; L135-L139 VanDerWaalsContact O-CG 3.24Å; L135-L139 WeakPolarHBondContact O-CG 2.96Å; L135-L139 PolarHBondContact O-N 2.94Å; L135-M229 HydrophobicContact CB-CG 4.42Å; L135-M229 HydrophobicContact CB-SD 3.6Å; L135-T239 HydrophobicContact CD1-CG2 3.69Å; L135-F241 HydrophobicContact CD1-CD2 4.45Å; L135-L273 HydrophobicContact CD2-CD1 4.33Å; L135-L273 HydrophobicContact CD2-CD2 4.23Å; L135-L273 HydrophobicContact CD2-CG 4.33Å; L135-M277 HydrophobicContact CD2-CE 4.29Å; L135-M277 HydrophobicContact CD2-CG 3.85Å; L135-M277 HydrophobicContact CD2-SD 4.21Å
136	Y	97.6	Very high	97.3	Very high	38 Å²	38	45 Å²	45	15%	0.149	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-46.8	175.9	-178	-89.1	0	0	0	111.2	P132 D133 E138 L139 V140 E141 A192 C199 M229	P132-Y136 WeakPolarHBondContact O-CB 3.47Å; P132-Y136 PolarHBondContact O-N 2.96Å; D133-Y136 WeakPolarHBondContact O-CB 3.27Å; D133-Y136 PolarHBondContact O-N 2.88Å; Y136-E138 PolarHBondContact O-N 3.01Å; Y136-L139 PolarHBondContact O-N 2.91Å; Y136-V140 HydrophobicContact CD1-CB 4.47Å; Y136-V140 HydrophobicContact CD2-CB 4.35Å; Y136-V140 HydrophobicContact CD2-CG2 3.76Å; Y136-V140 HydrophobicContact CE1-CB 4.27Å; Y136-V140 HydrophobicContact CE1-CG1 4.41Å; Y136-V140 HydrophobicContact CE2-CB 4.16Å; Y136-V140 HydrophobicContact CE2-CG1 4.25Å; Y136-V140 HydrophobicContact CE2-CG2 3.76Å; Y136-V140 HydrophobicContact CG-CG2 4.25Å; Y136-V140 WeakPolarHBondContact O-CA 3.35Å; Y136-V140 WeakPolarHBondContact O-CB 3.28Å; Y136-V140 PolarHBondContact O-N 3.49Å; Y136-E141 HydrophobicContact CD1-CG 4.35Å; Y136-E141 HydrophobicContact CE1-CG 4.13Å; Y136-A192 HydrophobicContact CE2-CB 4.35Å; Y136-C199 HydrophobicContact CD2-CB 3.8Å; Y136-C199 HydrophobicContact CE2-CB 4.44Å; Y136-M229 HydrophobicContact CD2-CE 4.16Å
137	E	97.6	Very high	97.2	Very high	71 Å²	71	45.9 Å²	45.9	33%	0.332	23%	0.229	S	C	.	.	I	π-helix	trans	-57	-50.4	175.6	-177.6	-178	171.7	0	0	111	D133 E141 K142	D133-E137 PolarHBondContact O-N 3.48Å; E137-E141 HydrophobicContact CG-CB 4.43Å; E137-E141 CarbonylContact O-C 3.51Å; E137-E141 WeakPolarHBondContact O-CA 3.24Å; E137-E141 WeakPolarHBondContact O-CB 3.21Å; E137-E141 PolarHBondContact O-N 3.3Å; E137-K142 HydrophobicContact CG-CD 4.32Å; E137-K142 PolarHBondContact O-N 3.38Å; E137-K142 WeakPolarHBondContact OE1-CE 3.26Å; E137-K142 IonicContact OE1-NZ 2.64Å; E137-K142 PolarHBondContact OE1-NZ 3.1Å
138	E	98	Very high	97.1	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	24%	0.242	C	C	.	.	I	π-helix	trans	-66.5	-41.2	-178	-170	64.6	-148.4	0	0	112.8	N134 L135 Y136 K142 W149 L273 R276 M277 N280	N134-E138 PolarHBondContact O-N 3.34Å; N134-E138 VanDerWaalsContact O-N 3.15Å; L135-E138 PolarHBondContact O-N 2.92Å; Y136-E138 PolarHBondContact O-N 3.01Å; E138-K142 CarbonylContact O-C 3.53Å; E138-W149 PolarHBondContact OE1-NE1 3.45Å; E138-L273 HydrophobicContact CG-CD1 4.45Å; E138-R276 VanDerWaalsContact CD-NE 3.3Å; E138-R276 HydrophobicContact CG-CG 4.14Å; E138-R276 IonicContact OE1-CZ 3.33Å; E138-R276 IonicContact OE1-NE 2.79Å; E138-R276 PolarHBondContact OE1-NE 2.95Å; E138-R276 IonicContact OE1-NH2 2.99Å; E138-R276 PolarHBondContact OE1-NH2 3.46Å; E138-R276 IonicContact OE2-CZ 3.86Å; E138-R276 IonicContact OE2-NE 3.37Å; E138-R276 PolarHBondContact OE2-NE 2.84Å; E138-R276 IonicContact OE2-NH2 3.49Å; E138-R276 PolarHBondContact OE2-NH2 2.97Å; E138-M277 HydrophobicContact CB-SD 3.89Å; E138-M277 HydrophobicContact CG-SD 3.95Å; E138-N280 PolarHBondContact OE2-ND2 2.75Å
139	L	97.7	Very high	97	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.247	C	C	.	.	I	π-helix	trans	-90.4	-20.6	-172.3	-63.8	176.5	0	0	0	114.6	L135 Y136 M146 W149 M229 F241 F269 L273	L135-L139 WeakPolarHBondContact O-CB 3.22Å; L135-L139 VanDerWaalsContact O-CG 3.24Å; L135-L139 WeakPolarHBondContact O-CG 2.96Å; L135-L139 PolarHBondContact O-N 2.94Å; Y136-L139 PolarHBondContact O-N 2.91Å; L139-M146 HydrophobicContact CD2-CE 4.05Å; L139-W149 HydrophobicContact CD2-CH2 4.14Å; L139-W149 HydrophobicContact CD2-CZ2 4.1Å; L139-M229 HydrophobicContact CD1-SD 4.12Å; L139-F241 HydrophobicContact CD1-CE2 3.61Å; L139-F241 HydrophobicContact CD1-CZ 4.24Å; L139-F269 HydrophobicContact CD2-CE2 4.39Å; L139-F269 HydrophobicContact CD2-CZ 3.79Å; L139-L273 HydrophobicContact CD1-CD2 4.03Å; L139-L273 HydrophobicContact CD2-CD1 4.01Å; L139-L273 HydrophobicContact CD2-CD2 4.26Å; L139-L273 HydrophobicContact CG-CD1 4.44Å
140	V	96.8	Very high	97	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	22%	0.222	C	C	.	.	I	π-helix	trans	-114.8	-55.3	-177.2	-173.1	0	0	0	0	110.6	Y136 M167 A192 L201	Y136-V140 HydrophobicContact CD1-CB 4.47Å; Y136-V140 HydrophobicContact CD2-CB 4.35Å; Y136-V140 HydrophobicContact CD2-CG2 3.76Å; Y136-V140 HydrophobicContact CE1-CB 4.27Å; Y136-V140 HydrophobicContact CE1-CG1 4.41Å; Y136-V140 HydrophobicContact CE2-CB 4.16Å; Y136-V140 HydrophobicContact CE2-CG1 4.25Å; Y136-V140 HydrophobicContact CE2-CG2 3.76Å; Y136-V140 HydrophobicContact CG-CG2 4.25Å; Y136-V140 WeakPolarHBondContact O-CA 3.35Å; Y136-V140 WeakPolarHBondContact O-CB 3.28Å; Y136-V140 PolarHBondContact O-N 3.49Å; V140-M167 HydrophobicContact CG1-CE 4.3Å; V140-A192 HydrophobicContact CG1-CB 3.69Å; V140-L201 HydrophobicContact CG2-CB 4.37Å; V140-L201 HydrophobicContact CG2-CD1 4.33Å; V140-L201 HydrophobicContact CG2-CD2 4.26Å
141	E	96.5	Very high	96.9	Very high	131 Å²	131	47.5 Å²	47.5	61%	0.612	24%	0.242	S	C	*	.	I	π-helix	trans	-75.7	-37.7	-173.8	-56.5	-177.6	178.2	0	0	111.8	Y136 E137	Y136-E141 HydrophobicContact CD1-CG 4.35Å; Y136-E141 HydrophobicContact CE1-CG 4.13Å; E137-E141 HydrophobicContact CG-CB 4.43Å; E137-E141 CarbonylContact O-C 3.51Å; E137-E141 WeakPolarHBondContact O-CA 3.24Å; E137-E141 WeakPolarHBondContact O-CB 3.21Å; E137-E141 PolarHBondContact O-N 3.3Å
142	K	97.5	Very high	96.8	Very high	60 Å²	60	46.4 Å²	46.4	26%	0.261	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	21.4	178.8	-60.8	177.8	-174.4	162.7	0	113.3	E137 E138 E144 Q145	E137-K142 HydrophobicContact CG-CD 4.32Å; E137-K142 PolarHBondContact O-N 3.38Å; E137-K142 WeakPolarHBondContact OE1-CE 3.26Å; E137-K142 IonicContact OE1-NZ 2.64Å; E137-K142 PolarHBondContact OE1-NZ 3.1Å; E138-K142 CarbonylContact O-C 3.53Å; K142-E144 PolarHBondContact O-N 3.49Å; K142-Q145 HydrophobicContact CB-CG 4.46Å; K142-Q145 WeakPolarHBondContact O-CA 3.31Å; K142-Q145 VanDerWaalsContact O-CB 3.3Å; K142-Q145 WeakPolarHBondContact O-CB 3.36Å; K142-Q145 PolarHBondContact O-N 3.45Å
143	M	96.8	Very high	96.7	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.049	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-57.9	-29.2	-173.5	66.9	165.7	47.6	0	0	115	Q145 M146 V156 I158 M167 T169	M143-Q145 PolarHBondContact O-N 2.93Å; M143-M146 WeakPolarHBondContact O-CB 3.11Å; M143-M146 PolarHBondContact O-N 2.98Å; M143-M146 VanDerWaalsContact O-N 3.11Å; M143-V156 HydrophobicContact SD-CG1 4.45Å; M143-I158 HydrophobicContact CG-CD1 4.02Å; M143-I158 HydrophobicContact CG-CG1 4.29Å; M143-I158 HydrophobicContact SD-CD1 4.04Å; M143-I158 HydrophobicContact SD-CG1 3.91Å; M143-M167 HydrophobicContact CE-SD 3.56Å; M143-M167 VanDerWaalsContact CE-SD 3.56Å; M143-M167 HydrophobicContact SD-SD 3.67Å; M143-M167 VanDerWaalsContact SD-SD 3.67Å; M143-T169 HydrophobicContact SD-CG2 3.71Å
144	E	98.1	Very high	96.6	Very high	104 Å²	104	51.4 Å²	51.4	49%	0.486	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-67.5	-18.3	176.5	-65.1	-169	115.3	0	0	112.7	K142 M146 K157 I158	K142-E144 PolarHBondContact O-N 3.49Å; E144-M146 VanDerWaalsContact C-N 3.34Å; E144-K157 VanDerWaalsContact OE1-CA 3.3Å; E144-K157 WeakPolarHBondContact OE1-CA 3.44Å; E144-I158 HydrophobicContact CG-CD1 4.03Å; E144-I158 HydrophobicContact CG-CG1 3.9Å; E144-I158 PolarHBondContact OE1-N 3.06Å
145	Q	97.7	Very high	96.6	Very high	80 Å²	80	52.4 Å²	52.4	37%	0.374	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-87.1	-0	174.9	-55.8	175.5	17.9	0	0	112.7	K142 M143 G147 D148	K142-Q145 HydrophobicContact CB-CG 4.46Å; K142-Q145 WeakPolarHBondContact O-CA 3.31Å; K142-Q145 VanDerWaalsContact O-CB 3.3Å; K142-Q145 WeakPolarHBondContact O-CB 3.36Å; K142-Q145 PolarHBondContact O-N 3.45Å; M143-Q145 PolarHBondContact O-N 2.93Å; Q145-G147 PolarHBondContact O-N 3.16Å; Q145-G147 VanDerWaalsContact O-N 3.15Å; Q145-D148 VanDerWaalsContact O-CB 3.3Å; Q145-D148 WeakPolarHBondContact O-CB 3.32Å; Q145-D148 PolarHBondContact O-N 3.35Å
146	M	97.4	Very high	96.6	Very high	25 Å²	25	52.9 Å²	52.9	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-33.8	-176.4	-175.1	171.2	-64.3	0	0	112.8	L139 M143 E144 D148 W149 N150 V153 V156 F269	L139-M146 HydrophobicContact CD2-CE 4.05Å; M143-M146 WeakPolarHBondContact O-CB 3.11Å; M143-M146 PolarHBondContact O-N 2.98Å; M143-M146 VanDerWaalsContact O-N 3.11Å; E144-M146 VanDerWaalsContact C-N 3.34Å; M146-D148 PolarHBondContact O-N 3.46Å; M146-W149 HydrophobicContact CB-CZ2 4.35Å; M146-W149 HydrophobicContact CE-CZ2 4.21Å; M146-W149 HydrophobicContact CG-CH2 4.14Å; M146-W149 HydrophobicContact CG-CZ2 3.76Å; M146-W149 PolarHBondContact O-N 3.32Å; M146-N150 HydrophobicContact CG-CB 4.02Å; M146-N150 WeakPolarHBondContact O-CB 3.43Å; M146-N150 PolarHBondContact O-N 3.4Å; M146-V153 HydrophobicContact CG-CB 4.5Å; M146-V153 HydrophobicContact CG-CG2 4.41Å; M146-V153 HydrophobicContact SD-CG2 4.24Å; M146-V156 HydrophobicContact CB-CG2 4.18Å; M146-F269 HydrophobicContact CE-CE2 4.46Å; M146-F269 HydrophobicContact SD-CE2 4.42Å
147	G	95.9	Very high	96.6	Very high	26 Å²	26	55.6 Å²	55.6	27%	0.268	28%	0.276	S	S	.	.	H	α-helix	trans	-67.1	-17.6	177.3	0	0	0	0	0	114.5	Q145 W149 V153	Q145-G147 PolarHBondContact O-N 3.16Å; Q145-G147 VanDerWaalsContact O-N 3.15Å; G147-W149 VanDerWaalsContact C-N 3.31Å; G147-V153 WeakPolarHBondContact CA-O 3.35Å
148	D	96.3	Very high	96.7	Very high	131 Å²	131	53.9 Å²	53.9	70%	0.701	27%	0.269	S	S	*	.	H	α-helix	trans	-74.9	-24.7	-179.8	-59.8	-24.1	0	0	0	112	Q145 M146	Q145-D148 VanDerWaalsContact O-CB 3.3Å; Q145-D148 WeakPolarHBondContact O-CB 3.32Å; Q145-D148 PolarHBondContact O-N 3.35Å; M146-D148 PolarHBondContact O-N 3.46Å
149	W	96.1	Very high	96.7	Very high	29 Å²	29	55.5 Å²	55.5	11%	0.11	28%	0.278	C	S	.	.	H	α-helix	trans	-126	-13.7	-175.8	61.6	-100.7	0	0	0	114.5	E138 L139 M146 G147 P151 F269 H272 L273 R276	E138-W149 PolarHBondContact OE1-NE1 3.45Å; L139-W149 HydrophobicContact CD2-CH2 4.14Å; L139-W149 HydrophobicContact CD2-CZ2 4.1Å; M146-W149 HydrophobicContact CB-CZ2 4.35Å; M146-W149 HydrophobicContact CE-CZ2 4.21Å; M146-W149 HydrophobicContact CG-CH2 4.14Å; M146-W149 HydrophobicContact CG-CZ2 3.76Å; M146-W149 PolarHBondContact O-N 3.32Å; G147-W149 VanDerWaalsContact C-N 3.31Å; W149-P151 WeakPolarHBondContact O-CD 3.46Å; W149-F269 HydrophobicContact CH2-CD2 4.46Å; W149-F269 AromaticContact CH2-CE2 3.85Å; W149-F269 HydrophobicContact CH2-CE2 3.85Å; W149-F269 HydrophobicContact CH2-CZ 4.32Å; W149-F269 HydrophobicContact CZ3-CE2 4.43Å; W149-H272 HydrophobicContact CE3-CB 3.91Å; W149-H272 HydrophobicContact CZ3-CB 4.03Å; W149-L273 HydrophobicContact CH2-CB 4.23Å; W149-L273 HydrophobicContact CH2-CD1 3.98Å; W149-L273 HydrophobicContact CZ2-CD1 4.33Å; W149-L273 HydrophobicContact CZ3-CB 4.01Å; W149-L273 HydrophobicContact CZ3-CD1 4.41Å; W149-R276 HydrophobicContact CB-CB 4.15Å; W149-R276 HydrophobicContact CB-CG 4.2Å; W149-R276 HydrophobicContact CD2-CB 4.03Å; W149-R276 HydrophobicContact CD2-CG 3.99Å; W149-R276 HydrophobicContact CE3-CB 4.21Å; W149-R276 HydrophobicContact CG-CB 4.01Å; W149-R276 HydrophobicContact CG-CG 3.77Å
150	N	96.5	Very high	96.7	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.032	29%	0.286	C	S	.	.			trans	-110.9	100.2	177.6	-174.1	-0.6	0	0	0	111.2	M146 N152 V153	M146-N150 HydrophobicContact CG-CB 4.02Å; M146-N150 WeakPolarHBondContact O-CB 3.43Å; M146-N150 PolarHBondContact O-N 3.4Å; N150-N152 PolarHBondContact O-N 3.46Å; N150-N152 WeakPolarHBondContact OD1-CB 3.35Å; N150-N152 PolarHBondContact OD1-N 3.14Å; N150-N152 VanDerWaalsContact OD1-N 3.16Å; N150-V153 HydrophobicContact CB-CB 4.45Å; N150-V153 HydrophobicContact CB-CG2 4.49Å; N150-V153 WeakPolarHBondContact ND2-CG2 3.25Å; N150-V153 PolarHBondContact O-N 3.1Å; N150-V153 VanDerWaalsContact O-O 3.08Å
151	P	94.6	Very high	96.8	Very high	84 Å²	84	64 Å²	64	55%	0.545	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.5	178.1	-27.4	34	0	0	0	115.6	W149 V153 A174	W149-P151 WeakPolarHBondContact O-CD 3.46Å; P151-V153 PolarHBondContact O-N 3.1Å; P151-A174 WeakPolarHBondContact O-CB 3.28Å
152	N	92.8	Very high	96.8	Very high	41 Å²	41	58 Å²	58	22%	0.219	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-10.8	178.1	-67.5	-30.8	0	0	0	112.8	N150 A174 D268	N150-N152 PolarHBondContact O-N 3.46Å; N150-N152 WeakPolarHBondContact OD1-CB 3.35Å; N150-N152 PolarHBondContact OD1-N 3.14Å; N150-N152 VanDerWaalsContact OD1-N 3.16Å; N152-A174 PolarHBondContact O-N 2.92Å; N152-D268 WeakPolarHBondContact ND2-CB 3.3Å
153	V	95.2	Very high	96.7	Very high	10 Å²	10	56.6 Å²	56.6	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.3	-178.1	178	0	0	0	0	108.5	M146 G147 N150 P151 V156 E171	M146-V153 HydrophobicContact CG-CB 4.5Å; M146-V153 HydrophobicContact CG-CG2 4.41Å; M146-V153 HydrophobicContact SD-CG2 4.24Å; G147-V153 WeakPolarHBondContact CA-O 3.35Å; N150-V153 HydrophobicContact CB-CB 4.45Å; N150-V153 HydrophobicContact CB-CG2 4.49Å; N150-V153 WeakPolarHBondContact ND2-CG2 3.25Å; N150-V153 PolarHBondContact O-N 3.1Å; N150-V153 VanDerWaalsContact O-O 3.08Å; P151-V153 PolarHBondContact O-N 3.1Å; V153-V156 HydrophobicContact CG1-CG2 3.66Å; V153-E171 HydrophobicContact CG1-CG 4.36Å
154	K	95.4	Very high	96.4	Very high	158 Å²	158	64.8 Å²	64.8	69%	0.687	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	-41.2	176.5	-178	175.5	-179.3	175.5	0	111.5	V172	K154-V172 HydrophobicContact CB-CB 4.39Å; K154-V172 HydrophobicContact CB-CG1 4.23Å; K154-V172 WeakPolarHBondContact CB-O 3.42Å; K154-V172 HydrophobicContact CD-CG1 4.21Å; K154-V172 PolarHBondContact N-O 2.8Å
155	Q	96.3	Very high	96.3	Very high	84 Å²	84	62.5 Å²	62.5	39%	0.393	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	143.6	-176.8	178.8	164.4	74.5	0	0	110.8	K157 E171 V172	Q155-K157 VanDerWaalsContact CD-CE 3.4Å; Q155-K157 HydrophobicContact CG-CG 4.02Å; Q155-K157 VanDerWaalsContact OE1-CE 3.26Å; Q155-E171 WeakPolarHBondContact O-CA 3.44Å; Q155-V172 PolarHBondContact N-O 2.69Å; Q155-V172 PolarHBondContact O-N 2.7Å
156	V	98.2	Very high	96.3	Very high	11 Å²	11	59 Å²	59	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.7	164.1	-177.8	0	0	0	0	107.7	M143 M146 V153 H170 E171	M143-V156 HydrophobicContact SD-CG1 4.45Å; M146-V156 HydrophobicContact CB-CG2 4.18Å; V153-V156 HydrophobicContact CG1-CG2 3.66Å; V156-H170 CarbonylContact C-O 3.57Å; V156-H170 WeakPolarHBondContact CA-O 3.44Å; V156-E171 HydrophobicContact CG2-CG 4.16Å
157	K	98.3	Very high	96.4	Very high	94 Å²	94	58.6 Å²	58.6	41%	0.409	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.4	172.6	-74.1	-173.4	175.4	173.4	0	110.8	E144 Q155 L159 T169 H170	E144-K157 VanDerWaalsContact OE1-CA 3.3Å; E144-K157 WeakPolarHBondContact OE1-CA 3.44Å; Q155-K157 VanDerWaalsContact CD-CE 3.4Å; Q155-K157 HydrophobicContact CG-CG 4.02Å; Q155-K157 VanDerWaalsContact OE1-CE 3.26Å; K157-L159 PolarHBondContact O-N 2.88Å; K157-T169 CarbonylContact O-C 3.56Å; K157-T169 VanDerWaalsContact O-CA 3.28Å; K157-T169 WeakPolarHBondContact O-CA 3.34Å; K157-H170 PolarHBondContact N-O 2.9Å; K157-H170 PolarHBondContact O-N 3.09Å
158	I	98.5	Very high	96.5	Very high	35 Å²	35	57.3 Å²	57.3	18%	0.179	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	113.1	169.6	-61	169.2	0	0	0	107.9	M143 E144 K161 M167 T169	M143-I158 HydrophobicContact CG-CD1 4.02Å; M143-I158 HydrophobicContact CG-CG1 4.29Å; M143-I158 HydrophobicContact SD-CD1 4.04Å; M143-I158 HydrophobicContact SD-CG1 3.91Å; E144-I158 HydrophobicContact CG-CD1 4.03Å; E144-I158 HydrophobicContact CG-CG1 3.9Å; E144-I158 PolarHBondContact OE1-N 3.06Å; I158-K161 HydrophobicContact CG2-CG 3.71Å; I158-M167 HydrophobicContact CD1-SD 4.46Å; I158-M167 HydrophobicContact CG2-CB 4.33Å; I158-T169 HydrophobicContact CG1-CG2 4.39Å
159	L	98.4	Very high	96.6	Very high	37 Å²	37	51.2 Å²	51.2	19%	0.194	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-36.5	179.7	-59.2	-177.7	0	0	0	112	K157 V168 H170 V187 H208 M211	K157-L159 PolarHBondContact O-N 2.88Å; L159-V168 HydrophobicContact CD1-CG1 4.24Å; L159-V168 PolarHBondContact N-O 2.89Å; L159-H170 HydrophobicContact CD1-CB 4.04Å; L159-H170 HydrophobicContact CD2-CB 3.9Å; L159-H170 HydrophobicContact CG-CB 4Å; L159-V187 HydrophobicContact CD1-CG1 4.36Å; L159-H208 HydrophobicContact CD1-CB 4Å; L159-M211 HydrophobicContact CD1-CB 3.6Å; L159-M211 HydrophobicContact CD1-CG 4.2Å; L159-M211 HydrophobicContact CD2-CE 3.87Å
160	Q	98.1	Very high	96.7	Very high	41 Å²	41	50.2 Å²	50.2	19%	0.192	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	137.9	-178.1	-171.8	175.4	-11.2	0	0	109.9	E74 I162 M167 V168 H208	E74-Q160 PolarHBondContact OE1-NE2 2.98Å; Q160-I162 HydrophobicContact CG-CD1 4.39Å; Q160-I162 HydrophobicContact CG-CG1 3.93Å; Q160-M167 CarbonylContact O-C 3.52Å; Q160-M167 VanDerWaalsContact O-CA 3.25Å; Q160-M167 WeakPolarHBondContact O-CA 3.08Å; Q160-M167 WeakPolarHBondContact O-CB 3.25Å; Q160-V168 HydrophobicContact CB-CB 4.48Å; Q160-V168 PolarHBondContact N-O 2.86Å; Q160-V168 PolarHBondContact O-N 2.88Å; Q160-H208 PolarHBondContact OE1-NE2 2.94Å
161	K	97.6	Very high	96.8	Very high	148 Å²	148	51.6 Å²	51.6	64%	0.643	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.1	166.6	-66.2	-172.9	177	-176.1	0	108.7	I158 M167	I158-K161 HydrophobicContact CG2-CG 3.71Å; K161-M167 HydrophobicContact CG-CB 4.44Å
162	I	97.6	Very high	96.9	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	104.8	-173.2	-55.5	159.9	0	0	0	107.1	Y70 E74 Y77 V78 Q160 T166 V168	Y70-I162 HydrophobicContact CD1-CG2 3.86Å; Y70-I162 HydrophobicContact CE1-CG2 3.86Å; Y70-I162 HydrophobicContact CG-CG2 4.44Å; E74-I162 HydrophobicContact CB-CG2 3.86Å; E74-I162 HydrophobicContact CG-CD1 4.49Å; E74-I162 HydrophobicContact CG-CG1 4.27Å; E74-I162 HydrophobicContact CG-CG2 4.18Å; Y77-I162 HydrophobicContact CD2-CD1 3.44Å; Y77-I162 VanDerWaalsContact CD2-CD1 3.44Å; Y77-I162 HydrophobicContact CE2-CD1 4.42Å; Y77-I162 HydrophobicContact CG-CD1 3.85Å; V78-I162 HydrophobicContact CG2-CG2 3.74Å; Q160-I162 HydrophobicContact CG-CD1 4.39Å; Q160-I162 HydrophobicContact CG-CG1 3.93Å; I162-T166 HydrophobicContact CB-CG2 4.33Å; I162-T166 HydrophobicContact CD1-CG2 4.3Å; I162-T166 PolarHBondContact N-O 3.15Å; I162-T166 WeakPolarHBondContact O-CB 3.29Å; I162-T166 PolarHBondContact O-N 3.44Å; I162-T166 VanDerWaalsContact O-O 3.09Å; I162-V168 HydrophobicContact CD1-CG2 4.21Å
163	G	94.2	Very high	97	Very high	31 Å²	31	48.2 Å²	48.2	32%	0.32	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-148	-169.1	0	0	0	0	0	112.7	E68 Y70	E68-G163 WeakPolarHBondContact OE2-CA 3.45Å; Y70-G163 WeakPolarHBondContact OH-CA 3.37Å
164	Q	92.2	Very high	96.7	Very high	182 Å²	182	49 Å²	49	85%	0.85	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-36.8	-175.2	-171.1	168.3	7.2	0	0	113.7
165	D	95.6	Very high	96	Very high	56 Å²	56	47.6 Å²	47.6	30%	0.299	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-20.1	-164.7	-68.7	-12.6	0	0	0	113.5	C191 A192 K193	D165-C191 CarbonylContact O-C 3.56Å; D165-C191 WeakPolarHBondContact O-CA 3.24Å; D165-A192 WeakPolarHBondContact CB-O 3.06Å; D165-A192 PolarHBondContact O-N 2.87Å; D165-K193 HydrophobicContact CB-CG 4.41Å
166	T	98.1	Very high	95.1	Very high	8 Å²	8	45 Å²	45	5%	0.049	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.7	-168.4	-56	0	0	0	0	111.6	V78 I162 V189 R190	V78-T166 HydrophobicContact CG2-CG2 4.35Å; I162-T166 HydrophobicContact CB-CG2 4.33Å; I162-T166 HydrophobicContact CD1-CG2 4.3Å; I162-T166 PolarHBondContact N-O 3.15Å; I162-T166 WeakPolarHBondContact O-CB 3.29Å; I162-T166 PolarHBondContact O-N 3.44Å; I162-T166 VanDerWaalsContact O-O 3.09Å; T166-V189 HydrophobicContact CG2-CG2 3.7Å; T166-R190 WeakPolarHBondContact CA-O 3.25Å
167	M	98.3	Very high	93.9	Very high	15 Å²	15	50 Å²	50	7%	0.074	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	152.6	174.7	63.8	-161.2	83.6	0	0	111.2	V140 M143 I158 Q160 K161 T169 V189 R190	V140-M167 HydrophobicContact CG1-CE 4.3Å; M143-M167 HydrophobicContact CE-SD 3.56Å; M143-M167 VanDerWaalsContact CE-SD 3.56Å; M143-M167 HydrophobicContact SD-SD 3.67Å; M143-M167 VanDerWaalsContact SD-SD 3.67Å; I158-M167 HydrophobicContact CD1-SD 4.46Å; I158-M167 HydrophobicContact CG2-CB 4.33Å; Q160-M167 CarbonylContact O-C 3.52Å; Q160-M167 VanDerWaalsContact O-CA 3.25Å; Q160-M167 WeakPolarHBondContact O-CA 3.08Å; Q160-M167 WeakPolarHBondContact O-CB 3.25Å; K161-M167 HydrophobicContact CG-CB 4.44Å; M167-T169 HydrophobicContact CG-CG2 4.11Å; M167-V189 CarbonylContact O-C 3.57Å; M167-V189 WeakPolarHBondContact O-CA 3.47Å; M167-R190 HydrophobicContact CG-CB 3.86Å; M167-R190 HydrophobicContact CG-CG 4.47Å; M167-R190 PolarHBondContact N-O 2.9Å; M167-R190 PolarHBondContact O-N 3.16Å
168	V	98.8	Very high	92.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.8	171.1	-174.6	0	0	0	0	108.4	Y77 L159 Q160 I162 V187 S188 T206 H208	Y77-V168 HydrophobicContact CD1-CG2 3.87Å; Y77-V168 HydrophobicContact CD2-CG2 3.96Å; Y77-V168 HydrophobicContact CE1-CG2 3.98Å; Y77-V168 HydrophobicContact CE2-CG2 4.02Å; Y77-V168 HydrophobicContact CG-CG2 3.87Å; L159-V168 HydrophobicContact CD1-CG1 4.24Å; L159-V168 PolarHBondContact N-O 2.89Å; Q160-V168 HydrophobicContact CB-CB 4.48Å; Q160-V168 PolarHBondContact N-O 2.86Å; Q160-V168 PolarHBondContact O-N 2.88Å; I162-V168 HydrophobicContact CD1-CG2 4.21Å; V168-V187 HydrophobicContact CG1-CG1 4.11Å; V168-S188 WeakPolarHBondContact CA-O 3.23Å; V168-T206 HydrophobicContact CG1-CG2 3.84Å; V168-H208 HydrophobicContact CG1-CB 4.07Å
169	T	98.7	Very high	91.9	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.9	-175.9	60.6	0	0	0	0	111.3	M143 K157 I158 M167 V187 S188 R190	M143-T169 HydrophobicContact SD-CG2 3.71Å; K157-T169 CarbonylContact O-C 3.56Å; K157-T169 VanDerWaalsContact O-CA 3.28Å; K157-T169 WeakPolarHBondContact O-CA 3.34Å; I158-T169 HydrophobicContact CG1-CG2 4.39Å; M167-T169 HydrophobicContact CG-CG2 4.11Å; T169-V187 WeakPolarHBondContact O-CA 3.5Å; T169-S188 PolarHBondContact N-O 2.87Å; T169-S188 PolarHBondContact O-N 3.3Å; T169-S188 PolarHBondContact OG1-O 3.46Å; T169-R190 HydrophobicContact CG2-CG 3.92Å
170	H	98.6	Very high	91	Very high	9 Å²	9	54.9 Å²	54.9	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.4	162.3	-179.4	-132.4	0	0	0	109.3	V156 K157 L159 D185 F186 M211	V156-H170 CarbonylContact C-O 3.57Å; V156-H170 WeakPolarHBondContact CA-O 3.44Å; K157-H170 PolarHBondContact N-O 2.9Å; K157-H170 PolarHBondContact O-N 3.09Å; L159-H170 HydrophobicContact CD1-CB 4.04Å; L159-H170 HydrophobicContact CD2-CB 3.9Å; L159-H170 HydrophobicContact CG-CB 4Å; H170-D185 IonicContact CD2-OD2 3.63Å; H170-D185 IonicContact CE1-OD2 3.87Å; H170-D185 IonicContact NE2-OD2 2.81Å; H170-D185 PolarHBondContact NE2-OD2 3.07Å; H170-F186 CarbonylContact C-O 2.94Å; H170-F186 VanDerWaalsContact CA-O 3.3Å; H170-F186 WeakPolarHBondContact CA-O 3.38Å; H170-F186 PolarHBondContact CD2-O 2.94Å; H170-M211 HydrophobicContact CB-CE 4.48Å; H170-M211 HydrophobicContact CB-CG 4.26Å
171	E	98.3	Very high	90.3	Very high	34 Å²	34	53.3 Å²	53.3	16%	0.159	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.9	179.4	177.5	179.4	166.3	0	0	109.1	V153 Q155 V156 D185 F186 R190	V153-E171 HydrophobicContact CG1-CG 4.36Å; Q155-E171 WeakPolarHBondContact O-CA 3.44Å; V156-E171 HydrophobicContact CG2-CG 4.16Å; E171-D185 CarbonylContact O-C 3.41Å; E171-D185 VanDerWaalsContact O-CA 3.24Å; E171-D185 WeakPolarHBondContact O-CA 3.3Å; E171-F186 HydrophobicContact CB-CB 4.34Å; E171-F186 HydrophobicContact CB-CD2 4.42Å; E171-F186 HydrophobicContact CG-CD2 4.4Å; E171-F186 PolarHBondContact N-O 2.85Å; E171-F186 PolarHBondContact O-N 3.28Å; E171-R190 IonicContact OE2-NH2 3.19Å; E171-R190 PolarHBondContact OE2-NH2 2.75Å
172	V	96.7	Very high	89.8	Confident	27 Å²	27	47.8 Å²	47.8	16%	0.164	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.7	176.5	-176.9	0	0	0	0	108	K154 Q155 D185	K154-V172 HydrophobicContact CB-CB 4.39Å; K154-V172 HydrophobicContact CB-CG1 4.23Å; K154-V172 WeakPolarHBondContact CB-O 3.42Å; K154-V172 HydrophobicContact CD-CG1 4.21Å; K154-V172 PolarHBondContact N-O 2.8Å; Q155-V172 PolarHBondContact N-O 2.69Å; Q155-V172 PolarHBondContact O-N 2.7Å; V172-D185 HydrophobicContact CG2-CB 4.27Å
173	S	93.5	Very high	89.4	Confident	28 Å²	28	50 Å²	50	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	146.9	175.6	73.3	0	0	0	0	110.2	R184	S173-R184 PolarHBondContact N-O 2.94Å; S173-R184 PolarHBondContact OG-N 3.43Å; S173-R184 PolarHBondContact OG-O 2.92Å
174	A	89.5	Confident	89.5	Confident	26 Å²	26	49 Å²	49	22%	0.215	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-69.1	167.5	165.1	0	0	0	0	0	110.7	P151 N152	P151-A174 WeakPolarHBondContact O-CB 3.28Å; N152-A174 PolarHBondContact O-N 2.92Å
175	E	81.1	Confident	89.7	Confident	129 Å²	129	40.4 Å²	40.4	60%	0.603	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-69.7	133.9	173.8	-66.6	178.4	178.6	0	0	109.9	N179	E175-N179 PolarHBondContact OE2-OD1 3.47Å
176	T	76.4	Confident	89.9	Confident	30 Å²	30	38.4 Å²	38.4	18%	0.184	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-69.3	148.8	174.7	57.7	0	0	0	0	111.1	G178 N179 V180 V181	T176-G178 PolarHBondContact O-N 3.01Å; T176-N179 WeakPolarHBondContact O-CA 3.44Å; T176-N179 PolarHBondContact O-N 3.45Å; T176-V180 PolarHBondContact OG1-N 3.45Å; T176-V181 HydrophobicContact CG2-CB 3.78Å; T176-V181 HydrophobicContact CG2-CG2 4.3Å; T176-V181 PolarHBondContact OG1-N 3.39Å; T176-V181 PolarHBondContact OG1-O 3.45Å; T176-V181 VanDerWaalsContact OG1-O 3.13Å
177	P	73.6	Confident	89.9	Confident	115 Å²	115	38.1 Å²	38.1	75%	0.747	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-50.5	129.5	175.9	-28.2	34.9	0	0	0	112.4	N179	P177-N179 PolarHBondContact O-N 3.15Å
178	G	74.8	Confident	89.9	Confident	76 Å²	76	37.4 Å²	37.4	78%	0.784	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	71.7	12.1	-178.3	0	0	0	0	0	114.9	T176 V180	T176-G178 PolarHBondContact O-N 3.01Å; G178-V180 PolarHBondContact O-N 3.24Å; G178-V180 VanDerWaalsContact O-N 3.15Å
179	N	79.3	Confident	89.9	Confident	107 Å²	107	37.4 Å²	37.4	57%	0.572	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	55.6	30.5	177.2	-63.6	-22.3	0	0	0	114.1	E175 T176 P177 V181	E175-N179 PolarHBondContact OE2-OD1 3.47Å; T176-N179 WeakPolarHBondContact O-CA 3.44Å; T176-N179 PolarHBondContact O-N 3.45Å; P177-N179 PolarHBondContact O-N 3.15Å; N179-V181 VanDerWaalsContact C-N 3.25Å; N179-V181 PolarHBondContact O-N 3Å
180	V	80.1	Confident	89.9	Confident	86 Å²	86	38.9 Å²	38.9	52%	0.521	24%	0.244	S	C	.	.	S	Bend	trans	-64.6	-33.9	-179.7	-178	0	0	0	0	111.3	T176 G178 I257	T176-V180 PolarHBondContact OG1-N 3.45Å; G178-V180 PolarHBondContact O-N 3.24Å; G178-V180 VanDerWaalsContact O-N 3.15Å; V180-I257 HydrophobicContact CG1-CD1 4.5Å; V180-I257 HydrophobicContact CG1-CG2 3.79Å
181	V	83.9	Confident	89.9	Confident	8 Å²	8	38.5 Å²	38.5	5%	0.048	24%	0.242	C	C	.	.	S	Bend	trans	-119.8	116.1	173.1	-178.8	0	0	0	0	107.8	T176 N179 L249 I253 V261	T176-V181 HydrophobicContact CG2-CB 3.78Å; T176-V181 HydrophobicContact CG2-CG2 4.3Å; T176-V181 PolarHBondContact OG1-N 3.39Å; T176-V181 PolarHBondContact OG1-O 3.45Å; T176-V181 VanDerWaalsContact OG1-O 3.13Å; N179-V181 VanDerWaalsContact C-N 3.25Å; N179-V181 PolarHBondContact O-N 3Å; V181-L249 HydrophobicContact CG1-CD1 4.43Å; V181-I253 HydrophobicContact CB-CD1 4.39Å; V181-I253 HydrophobicContact CG1-CD1 3.8Å; V181-I253 HydrophobicContact CG2-CD1 4.06Å; V181-V261 HydrophobicContact CG2-CG2 4.36Å
182	G	86.4	Confident	89.9	Confident	32 Å²	32	36.9 Å²	36.9	33%	0.33	24%	0.235	S	C	.	.			trans	-62.1	174.8	174.7	0	0	0	0	0	113.9	R184	G182-R184 WeakPolarHBondContact O-CD 3.44Å; G182-R184 PolarHBondContact O-N 3.43Å; G182-R184 PolarHBondContact O-NH1 3.49Å
183	P	90.1	Very high	89.8	Confident	49 Å²	49	38.4 Å²	38.4	32%	0.318	24%	0.239	S	C	.	.			trans	-61	133.1	-173.7	-23.6	34	0	0	0	113.4	V217 I218	P183-V217 HydrophobicContact CB-CG1 4.4Å; P183-V217 HydrophobicContact CB-CG2 4.44Å; P183-I218 PolarHBondContact O-N 3.24Å; P183-I218 VanDerWaalsContact O-N 3.14Å
184	R	95.1	Very high	89.9	Confident	10 Å²	10	42.7 Å²	42.7	4%	0.038	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.2	172.9	-87.8	68.8	-179.2	162.2	6.9	110.6	S173 G182 F186 I218 A220 L249 K250 I253	S173-R184 PolarHBondContact N-O 2.94Å; S173-R184 PolarHBondContact OG-N 3.43Å; S173-R184 PolarHBondContact OG-O 2.92Å; G182-R184 WeakPolarHBondContact O-CD 3.44Å; G182-R184 PolarHBondContact O-N 3.43Å; G182-R184 PolarHBondContact O-NH1 3.49Å; R184-F186 HydrophobicContact CB-CE2 4.2Å; R184-F186 HydrophobicContact CB-CZ 4.19Å; R184-I218 VanDerWaalsContact CA-O 3.26Å; R184-I218 WeakPolarHBondContact CA-O 3.31Å; R184-I218 HydrophobicContact CG-CB 4.48Å; R184-A220 HydrophobicContact CB-CB 4.06Å; R184-A220 HydrophobicContact CG-CB 3.59Å; R184-L249 HydrophobicContact CG-CD2 4.29Å; R184-L249 PolarHBondContact NE-O 3.45Å; R184-K250 PolarHBondContact NH2-O 2.95Å; R184-I253 VanDerWaalsContact NH2-CD1 3.27Å
185	D	97.5	Very high	90.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.011	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	161.7	162.9	79	-25.2	0	0	0	111.2	H170 E171 V172 V217 I218 R219 A220	H170-D185 IonicContact CD2-OD2 3.63Å; H170-D185 IonicContact CE1-OD2 3.87Å; H170-D185 IonicContact NE2-OD2 2.81Å; H170-D185 PolarHBondContact NE2-OD2 3.07Å; E171-D185 CarbonylContact O-C 3.41Å; E171-D185 VanDerWaalsContact O-CA 3.24Å; E171-D185 WeakPolarHBondContact O-CA 3.3Å; V172-D185 HydrophobicContact CG2-CB 4.27Å; D185-V217 HydrophobicContact CB-CG1 3.8Å; D185-I218 PolarHBondContact N-O 3.43Å; D185-I218 VanDerWaalsContact N-O 3.12Å; D185-R219 VanDerWaalsContact CG-NE 3.28Å; D185-R219 VanDerWaalsContact OD1-CA 3.31Å; D185-R219 WeakPolarHBondContact OD1-CA 3.42Å; D185-R219 IonicContact OD1-CZ 2.87Å; D185-R219 IonicContact OD1-NE 2.66Å; D185-R219 PolarHBondContact OD1-NE 3.12Å; D185-R219 IonicContact OD1-NH2 2.99Å; D185-R219 IonicContact OD2-CZ 2.94Å; D185-R219 IonicContact OD2-NE 2.65Å; D185-R219 PolarHBondContact OD2-NE 3.12Å; D185-R219 IonicContact OD2-NH2 3.9Å; D185-R219 PolarHBondContact OD2-NH2 3.46Å; D185-A220 PolarHBondContact O-N 3.27Å
186	F	98.4	Very high	90.6	Very high	13 Å²	13	48.4 Å²	48.4	6%	0.057	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.1	-177.8	-54.7	-89.4	0	0	0	109.1	H170 E171 R184 A220 L247 L249	H170-F186 CarbonylContact C-O 2.94Å; H170-F186 VanDerWaalsContact CA-O 3.3Å; H170-F186 WeakPolarHBondContact CA-O 3.38Å; H170-F186 PolarHBondContact CD2-O 2.94Å; E171-F186 HydrophobicContact CB-CB 4.34Å; E171-F186 HydrophobicContact CB-CD2 4.42Å; E171-F186 HydrophobicContact CG-CD2 4.4Å; E171-F186 PolarHBondContact N-O 2.85Å; E171-F186 PolarHBondContact O-N 3.28Å; R184-F186 HydrophobicContact CB-CE2 4.2Å; R184-F186 HydrophobicContact CB-CZ 4.19Å; F186-A220 HydrophobicContact CD1-CB 3.87Å; F186-A220 WeakPolarHBondContact CD1-O 3.3Å; F186-A220 HydrophobicContact CE1-CB 3.2Å; F186-A220 HydrophobicContact CZ-CB 3.67Å; F186-L247 HydrophobicContact CD1-CD1 4.07Å; F186-L247 HydrophobicContact CE1-CD1 3.33Å; F186-L247 HydrophobicContact CE1-CD2 4.22Å; F186-L247 HydrophobicContact CE1-CG 4.2Å; F186-L247 HydrophobicContact CZ-CD1 4.08Å; F186-L247 HydrophobicContact CZ-CD2 4.16Å; F186-L249 HydrophobicContact CZ-CD2 4.37Å
187	V	98.8	Very high	91.4	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.2	162.6	176.8	0	0	0	0	106.3	L159 V168 T169 S205 T206 H208 M211	L159-V187 HydrophobicContact CD1-CG1 4.36Å; V168-V187 HydrophobicContact CG1-CG1 4.11Å; T169-V187 WeakPolarHBondContact O-CA 3.5Å; V187-S205 WeakPolarHBondContact O-CA 3.26Å; V187-T206 HydrophobicContact CG1-CG2 4.13Å; V187-T206 WeakPolarHBondContact CG1-O 3.47Å; V187-T206 PolarHBondContact O-N 3.4Å; V187-H208 HydrophobicContact CG1-CB 3.82Å; V187-M211 HydrophobicContact CG2-CB 4.08Å; V187-M211 HydrophobicContact CG2-CG 3.73Å
188	S	98.7	Very high	92.4	Very high	1 Å²	1	46 Å²	46	1%	0.007	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	140.5	-172.2	-63.8	0	0	0	0	110.7	V168 T169 M204 N222	V168-S188 WeakPolarHBondContact CA-O 3.23Å; T169-S188 PolarHBondContact N-O 2.87Å; T169-S188 PolarHBondContact O-N 3.3Å; T169-S188 PolarHBondContact OG1-O 3.46Å; S188-M204 CarbonylContact C-O 3.53Å; S188-M204 VanDerWaalsContact CA-O 3.22Å; S188-M204 WeakPolarHBondContact CA-O 3.29Å; S188-M204 VanDerWaalsContact CB-O 3.32Å; S188-M204 WeakPolarHBondContact CB-O 3.34Å; S188-N222 PolarHBondContact OG-ND2 3.01Å
189	V	98.8	Very high	93.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	139.2	163.6	64.9	0	0	0	0	108.2	Y77 Q80 T166 M167 G203 M204 T206	Y77-V189 WeakPolarHBondContact O-CG2 3.49Å; Q80-V189 HydrophobicContact CB-CG1 3.69Å; T166-V189 HydrophobicContact CG2-CG2 3.7Å; M167-V189 CarbonylContact O-C 3.57Å; M167-V189 WeakPolarHBondContact O-CA 3.47Å; V189-G203 CarbonylContact O-C 3.58Å; V189-G203 WeakPolarHBondContact O-CA 3.25Å; V189-M204 HydrophobicContact CG1-CG 4.02Å; V189-M204 PolarHBondContact N-O 2.74Å; V189-M204 PolarHBondContact O-N 3.13Å; V189-M204 VanDerWaalsContact O-N 3.11Å; V189-T206 HydrophobicContact CB-CG2 4.05Å
190	R	98.6	Very high	94.5	Very high	33 Å²	33	38.6 Å²	38.6	13%	0.125	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.9	177.4	-53.2	-67.1	-170.9	151.1	2.5	108.7	T166 M167 T169 E171 L201 A202	T166-R190 WeakPolarHBondContact CA-O 3.25Å; M167-R190 HydrophobicContact CG-CB 3.86Å; M167-R190 HydrophobicContact CG-CG 4.47Å; M167-R190 PolarHBondContact N-O 2.9Å; M167-R190 PolarHBondContact O-N 3.16Å; T169-R190 HydrophobicContact CG2-CG 3.92Å; E171-R190 IonicContact OE2-NH2 3.19Å; E171-R190 PolarHBondContact OE2-NH2 2.75Å; R190-L201 HydrophobicContact CB-CD1 4.15Å; R190-A202 CarbonylContact C-O 3.56Å; R190-A202 WeakPolarHBondContact CA-O 3.47Å
191	C	98	Very high	95.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	111	176.5	-174.7	0	0	0	0	108.8	D165 A202	D165-C191 CarbonylContact O-C 3.56Å; D165-C191 WeakPolarHBondContact O-CA 3.24Å; C191-A202 PolarHBondContact N-O 3.27Å; C191-A202 PolarHBondContact O-N 3.47Å
192	A	97.9	Very high	96	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	114.6	174.9	0	0	0	0	0	108.8	Y136 V140 D165 F200 L201	Y136-A192 HydrophobicContact CE2-CB 4.35Å; V140-A192 HydrophobicContact CG1-CB 3.69Å; D165-A192 WeakPolarHBondContact CB-O 3.06Å; D165-A192 PolarHBondContact O-N 2.87Å; A192-F200 CarbonylContact C-O 3.55Å; A192-F200 VanDerWaalsContact CA-O 3.25Å; A192-F200 WeakPolarHBondContact CA-O 3.36Å; A192-L201 HydrophobicContact CB-CD1 4.22Å
193	K	96.3	Very high	96.6	Very high	58 Å²	58	33.1 Å²	33.1	25%	0.252	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.8	177.5	-72.7	-159.4	177.3	-173.2	0	111.4	E82 L85 D165 F200	E82-K193 IonicContact OE1-NZ 2.7Å; E82-K193 PolarHBondContact OE1-NZ 2.9Å; L85-K193 HydrophobicContact CD2-CB 4.06Å; L85-K193 HydrophobicContact CD2-CD 3.83Å; L85-K193 HydrophobicContact CD2-CG 4.13Å; D165-K193 HydrophobicContact CB-CG 4.41Å; K193-F200 PolarHBondContact N-O 2.94Å; K193-F200 PolarHBondContact O-N 2.89Å
194	R	95.1	Very high	97	Very high	118 Å²	118	32.1 Å²	32.1	45%	0.445	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.2	175.3	-172.8	176.8	-72	-106.5	5.1	110.5	D133 G196 T198 C199	D133-R194 IonicContact OD1-CZ 3.91Å; D133-R194 IonicContact OD1-NH1 2.77Å; D133-R194 PolarHBondContact OD1-NH1 3.43Å; D133-R194 IonicContact OD1-NH2 3.3Å; D133-R194 PolarHBondContact OD1-NH2 3.37Å; R194-G196 WeakPolarHBondContact CG-O 3.44Å; R194-T198 WeakPolarHBondContact CA-O 3.35Å; R194-C199 PolarHBondContact NH1-SG 3.39Å; R194-C199 PolarHBondContact NH2-SG 3.42Å
195	R	92.8	Very high	97.2	Very high	206 Å²	206	33 Å²	33	78%	0.777	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	104.5	171.9	-174.7	-178.6	176	-176.9	-1.1	109.5	S197 T198 F200	R195-S197 PolarHBondContact O-N 3.25Å; R195-T198 PolarHBondContact N-O 3.46Å; R195-T198 PolarHBondContact O-N 3.12Å; R195-T198 VanDerWaalsContact O-N 3.09Å; R195-F200 HydrophobicContact CB-CE2 4.06Å
196	G	92.3	Very high	97.2	Very high	69 Å²	69	33.7 Å²	33.7	71%	0.711	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	-125.3	-170.3	0	0	0	0	0	109.8	R194	R194-G196 WeakPolarHBondContact CG-O 3.44Å
197	S	92.6	Very high	97.2	Very high	72 Å²	72	41.3 Å²	41.3	50%	0.503	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.3	177.4	56.7	0	0	0	0	114.6	R195 P231	R195-S197 PolarHBondContact O-N 3.25Å; S197-P231 VanDerWaalsContact O-CD 3.28Å; S197-P231 WeakPolarHBondContact O-CD 3.45Å
198	T	96.2	Very high	97.1	Very high	22 Å²	22	41.6 Å²	41.6	14%	0.135	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.4	179.4	-52.6	0	0	0	0	110.9	R194 R195 F200 V228 M229 K230	R194-T198 WeakPolarHBondContact CA-O 3.35Å; R195-T198 PolarHBondContact N-O 3.46Å; R195-T198 PolarHBondContact O-N 3.12Å; R195-T198 VanDerWaalsContact O-N 3.09Å; T198-F200 HydrophobicContact CG2-CD2 4.41Å; T198-F200 HydrophobicContact CG2-CE1 4.09Å; T198-F200 HydrophobicContact CG2-CE2 3.64Å; T198-F200 HydrophobicContact CG2-CZ 3.45Å; T198-F200 VanDerWaalsContact CG2-CZ 3.45Å; T198-V228 HydrophobicContact CG2-CG1 3.74Å; T198-M229 WeakPolarHBondContact CA-O 3.31Å; T198-K230 HydrophobicContact CG2-CB 4.04Å; T198-K230 HydrophobicContact CG2-CG 4.43Å
199	C	97.9	Very high	97	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147	175.6	-54	0	0	0	0	111.1	Y136 R194 M229	Y136-C199 HydrophobicContact CD2-CB 3.8Å; Y136-C199 HydrophobicContact CE2-CB 4.44Å; R194-C199 PolarHBondContact NH1-SG 3.39Å; R194-C199 PolarHBondContact NH2-SG 3.42Å; C199-M229 HydrophobicContact CB-CB 4.24Å; C199-M229 HydrophobicContact CB-CE 3.89Å; C199-M229 PolarHBondContact N-O 3.46Å; C199-M229 PolarHBondContact O-N 2.98Å
200	F	98.3	Very high	96.8	Very high	28 Å²	28	54 Å²	54	12%	0.123	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.6	-179.2	-57.2	-92.7	0	0	0	109	L85 I89 A192 K193 R195 T198 I227 V228	L85-F200 HydrophobicContact CD1-CB 3.66Å; L85-F200 HydrophobicContact CD1-CD1 4Å; L85-F200 HydrophobicContact CD1-CG 3.95Å; I89-F200 HydrophobicContact CD1-CD1 4.27Å; I89-F200 HydrophobicContact CD1-CE1 4.05Å; I89-F200 HydrophobicContact CG1-CD1 4.45Å; I89-F200 HydrophobicContact CG1-CE1 4.24Å; A192-F200 CarbonylContact C-O 3.55Å; A192-F200 VanDerWaalsContact CA-O 3.25Å; A192-F200 WeakPolarHBondContact CA-O 3.36Å; K193-F200 PolarHBondContact N-O 2.94Å; K193-F200 PolarHBondContact O-N 2.89Å; R195-F200 HydrophobicContact CB-CE2 4.06Å; T198-F200 HydrophobicContact CG2-CD2 4.41Å; T198-F200 HydrophobicContact CG2-CE1 4.09Å; T198-F200 HydrophobicContact CG2-CE2 3.64Å; T198-F200 HydrophobicContact CG2-CZ 3.45Å; T198-F200 VanDerWaalsContact CG2-CZ 3.45Å; F200-I227 CarbonylContact C-O 3.48Å; F200-I227 VanDerWaalsContact CA-O 3.31Å; F200-I227 WeakPolarHBondContact CA-O 2.87Å; F200-V228 HydrophobicContact CD1-CB 4.49Å; F200-V228 HydrophobicContact CD1-CG1 4.18Å; F200-V228 HydrophobicContact CD1-CG2 3.92Å; F200-V228 HydrophobicContact CE1-CG1 3.81Å; F200-V228 HydrophobicContact CE1-CG2 4.05Å; F200-V228 HydrophobicContact CZ-CG1 4.47Å
201	L	98.6	Very high	96.8	Very high	11 Å²	11	53.8 Å²	53.8	6%	0.058	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	96.7	164	176.9	65.7	0	0	0	107.4	V140 R190 A192 C226 I227	V140-L201 HydrophobicContact CG2-CB 4.37Å; V140-L201 HydrophobicContact CG2-CD1 4.33Å; V140-L201 HydrophobicContact CG2-CD2 4.26Å; R190-L201 HydrophobicContact CB-CD1 4.15Å; A192-L201 HydrophobicContact CB-CD1 4.22Å; L201-C226 CarbonylContact O-C 3.55Å; L201-C226 WeakPolarHBondContact O-CA 3.3Å; L201-I227 HydrophobicContact CB-CB 4.32Å; L201-I227 HydrophobicContact CD2-CD1 4.46Å; L201-I227 PolarHBondContact N-O 3.49Å; L201-I227 PolarHBondContact O-N 3.31Å
202	A	98.6	Very high	96.7	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	162.6	177.6	0	0	0	0	0	111.3	A84 L85 R190 C191 T225 C226	A84-A202 HydrophobicContact CB-CB 4.41Å; L85-A202 VanDerWaalsContact CA-CB 3.49Å; L85-A202 HydrophobicContact CB-CB 3.64Å; L85-A202 HydrophobicContact CD1-CB 3.77Å; L85-A202 HydrophobicContact CG-CB 4.31Å; R190-A202 CarbonylContact C-O 3.56Å; R190-A202 WeakPolarHBondContact CA-O 3.47Å; C191-A202 PolarHBondContact N-O 3.27Å; C191-A202 PolarHBondContact O-N 3.47Å; A202-T225 CarbonylContact C-O 3.55Å; A202-T225 VanDerWaalsContact CA-O 3.28Å; A202-T225 WeakPolarHBondContact CA-O 3.43Å; A202-C226 HydrophobicContact CB-CB 4.33Å
203	G	98.3	Very high	96.6	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	171.8	171.3	0	0	0	0	0	113.7	A84 V189 T225	A84-G203 WeakPolarHBondContact CB-O 3.46Å; V189-G203 CarbonylContact O-C 3.58Å; V189-G203 WeakPolarHBondContact O-CA 3.25Å; G203-T225 PolarHBondContact N-O 3Å; G203-T225 VanDerWaalsContact O-CG2 3.3Å; G203-T225 WeakPolarHBondContact O-CG2 3.4Å; G203-T225 PolarHBondContact O-N 2.96Å
204	M	98.6	Very high	96.4	Very high	29 Å²	29	66 Å²	66	14%	0.143	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	166.4	169.9	64.2	171.2	72.4	0	0	109.7	Q80 D83 A84 S188 V189	Q80-M204 HydrophobicContact CB-SD 4.34Å; Q80-M204 WeakPolarHBondContact O-CE 3.41Å; D83-M204 HydrophobicContact CB-CE 4.14Å; A84-M204 HydrophobicContact CB-CB 4.2Å; A84-M204 HydrophobicContact CB-CE 3.47Å; A84-M204 VanDerWaalsContact CB-CE 3.47Å; A84-M204 HydrophobicContact CB-CG 4.13Å; A84-M204 VanDerWaalsContact N-CE 3.3Å; S188-M204 CarbonylContact C-O 3.53Å; S188-M204 VanDerWaalsContact CA-O 3.22Å; S188-M204 WeakPolarHBondContact CA-O 3.29Å; S188-M204 VanDerWaalsContact CB-O 3.32Å; S188-M204 WeakPolarHBondContact CB-O 3.34Å; V189-M204 HydrophobicContact CG1-CG 4.02Å; V189-M204 PolarHBondContact N-O 2.74Å; V189-M204 PolarHBondContact O-N 3.13Å; V189-M204 VanDerWaalsContact O-N 3.11Å
205	S	98.5	Very high	96.3	Very high	27 Å²	27	70.7 Å²	70.7	19%	0.189	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	143.2	174.3	-58.2	0	0	0	0	111.6	V187 E221 N222	V187-S205 WeakPolarHBondContact O-CA 3.26Å; S205-E221 WeakPolarHBondContact OG-CA 3.39Å; S205-E221 WeakPolarHBondContact OG-CB 3.33Å; S205-N222 WeakPolarHBondContact CB-O 3.41Å; S205-N222 PolarHBondContact N-O 3.13Å; S205-N222 WeakPolarHBondContact OG-CA 3.44Å; S205-N222 PolarHBondContact OG-N 2.93Å; S205-N222 PolarHBondContact OG-O 2.77Å
206	T	98.6	Very high	96.1	Very high	18 Å²	18	64.3 Å²	64.3	11%	0.11	36%	0.363	C	S	.	.			trans	-144	173.7	172.4	-158.8	0	0	0	0	110	Y77 Q80 V168 V187 V189	Y77-T206 HydrophobicContact CD1-CG2 4.13Å; Y77-T206 HydrophobicContact CE1-CG2 3.76Å; Y77-T206 VanDerWaalsContact CE1-OG1 3.29Å; Y77-T206 WeakPolarHBondContact CE1-OG1 3.34Å; Q80-T206 PolarHBondContact OE1-OG1 3.38Å; V168-T206 HydrophobicContact CG1-CG2 3.84Å; V187-T206 HydrophobicContact CG1-CG2 4.13Å; V187-T206 WeakPolarHBondContact CG1-O 3.47Å; V187-T206 PolarHBondContact O-N 3.4Å; V189-T206 HydrophobicContact CB-CG2 4.05Å
207	Q	97.8	Very high	96.1	Very high	172 Å²	172	62.9 Å²	62.9	80%	0.804	34%	0.34	S	S	*	.			trans	-107.2	143.4	172.8	-62.5	-178.4	10.4	0	0	109	Y77	Y77-Q207 VanDerWaalsContact CE1-O 3.31Å; Y77-Q207 WeakPolarHBondContact CE1-O 3.3Å; Y77-Q207 PolarHBondContact OH-O 3.01Å
208	H	97.8	Very high	96.2	Very high	9 Å²	9	62.7 Å²	62.7	4%	0.042	33%	0.333	C	S	.	.			trans	-136.9	124.3	176.7	-170.4	-88.6	0	0	0	109.8	Y77 L159 Q160 V168 V187 K210 M211	Y77-H208 PolarHBondContact OH-CD2 2.94Å; L159-H208 HydrophobicContact CD1-CB 4Å; Q160-H208 PolarHBondContact OE1-NE2 2.94Å; V168-H208 HydrophobicContact CG1-CB 4.07Å; V187-H208 HydrophobicContact CG1-CB 3.82Å; H208-K210 PolarHBondContact ND1-N 2.88Å; H208-K210 PolarHBondContact O-N 3.17Å; H208-K210 VanDerWaalsContact O-N 3.12Å; H208-M211 CarbonylContact O-C 3.43Å; H208-M211 PolarHBondContact O-N 3.48Å
209	P	95.5	Very high	96.3	Very high	95 Å²	95	62.9 Å²	62.9	62%	0.617	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.7	-173.3	-27.1	34	0	0	0	114.1	E73 M211	E73-P209 VanDerWaalsContact OE1-CD 3.26Å; E73-P209 WeakPolarHBondContact OE1-CD 3.42Å; E73-P209 WeakPolarHBondContact OE1-CG 3.45Å; P209-M211 PolarHBondContact O-N 3.02Å
210	K	95.2	Very high	96.2	Very high	167 Å²	167	63 Å²	63	73%	0.726	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.7	178.5	-51.5	-177.3	-174.5	165	0	114	H208	H208-K210 PolarHBondContact ND1-N 2.88Å; H208-K210 PolarHBondContact O-N 3.17Å; H208-K210 VanDerWaalsContact O-N 3.12Å
211	M	97.7	Very high	96.2	Very high	28 Å²	28	65.8 Å²	65.8	14%	0.138	35%	0.345	C	S	.	.			trans	-140.1	66.1	-179.5	-163.2	57.2	67.5	0	0	112.7	L159 H170 V187 H208 P209 Q214 R219	L159-M211 HydrophobicContact CD1-CB 3.6Å; L159-M211 HydrophobicContact CD1-CG 4.2Å; L159-M211 HydrophobicContact CD2-CE 3.87Å; H170-M211 HydrophobicContact CB-CE 4.48Å; H170-M211 HydrophobicContact CB-CG 4.26Å; V187-M211 HydrophobicContact CG2-CB 4.08Å; V187-M211 HydrophobicContact CG2-CG 3.73Å; H208-M211 CarbonylContact O-C 3.43Å; H208-M211 PolarHBondContact O-N 3.48Å; P209-M211 PolarHBondContact O-N 3.02Å; M211-Q214 PolarHBondContact SD-NE2 2.7Å; M211-R219 PolarHBondContact O-NH1 2.98Å
212	P	96.9	Very high	96.2	Very high	89 Å²	89	66 Å²	66	58%	0.578	35%	0.346	S	S	*	.			trans	-64.5	172.1	170.5	30.5	-35.7	0	0	0	111.6	R219	P212-R219 PolarHBondContact O-NH2 3.48Å
213	E	95.9	Very high	96.1	Very high	129 Å²	129	66.9 Å²	66.9	60%	0.603	36%	0.356	S	S	*	.			trans	-63	139.3	174.5	-58.7	-170.2	167.7	0	0	111.1	R219	E213-R219 HydrophobicContact CG-CB 3.74Å; E213-R219 HydrophobicContact CG-CG 4.13Å; E213-R219 WeakPolarHBondContact OE1-CB 3.36Å
214	Q	92.4	Very high	96.1	Very high	96 Å²	96	67.6 Å²	67.6	45%	0.449	36%	0.36	S	S	.	.			trans	-106	140.8	-177.3	-62	-177.1	-5.6	0	0	110.7	M211 G216 V217	M211-Q214 PolarHBondContact SD-NE2 2.7Å; Q214-G216 PolarHBondContact O-N 2.89Å; Q214-V217 PolarHBondContact O-N 3.2Å
215	K	91.6	Very high	96	Very high	217 Å²	217	66.4 Å²	66.4	94%	0.943	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	129.6	179.6	-174	179.1	178.8	-178.4	0	110.6
216	G	88	Confident	96	Very high	72 Å²	72	65.1 Å²	65.1	74%	0.742	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-2	176.7	0	0	0	0	0	115	Q214	Q214-G216 PolarHBondContact O-N 2.89Å
217	V	92.7	Very high	96	Very high	40 Å²	40	65 Å²	65	24%	0.242	34%	0.344	C	S	.	.	S	Bend	trans	-124.1	134.2	174.4	-176.4	0	0	0	0	108.7	P183 D185 Q214	P183-V217 HydrophobicContact CB-CG1 4.4Å; P183-V217 HydrophobicContact CB-CG2 4.44Å; D185-V217 HydrophobicContact CB-CG1 3.8Å; Q214-V217 PolarHBondContact O-N 3.2Å
218	I	95.2	Very high	96	Very high	68 Å²	68	57.7 Å²	57.7	35%	0.349	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.2	178.5	-66.6	174.2	0	0	0	109	P183 R184 D185 A220 K250	P183-I218 PolarHBondContact O-N 3.24Å; P183-I218 VanDerWaalsContact O-N 3.14Å; R184-I218 VanDerWaalsContact CA-O 3.26Å; R184-I218 WeakPolarHBondContact CA-O 3.31Å; R184-I218 HydrophobicContact CG-CB 4.48Å; D185-I218 PolarHBondContact N-O 3.43Å; D185-I218 VanDerWaalsContact N-O 3.12Å; I218-A220 PolarHBondContact O-N 2.91Å; I218-A220 VanDerWaalsContact O-N 3.1Å; I218-K250 HydrophobicContact CG2-CB 3.88Å
219	R	97.8	Very high	96.1	Very high	26 Å²	26	57.3 Å²	57.3	10%	0.098	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	98	172.6	-179.3	61	53.1	77.8	-0.5	110.6	D185 M211 P212 E213 K250	D185-R219 VanDerWaalsContact CG-NE 3.28Å; D185-R219 VanDerWaalsContact OD1-CA 3.31Å; D185-R219 WeakPolarHBondContact OD1-CA 3.42Å; D185-R219 IonicContact OD1-CZ 2.87Å; D185-R219 IonicContact OD1-NE 2.66Å; D185-R219 PolarHBondContact OD1-NE 3.12Å; D185-R219 IonicContact OD1-NH2 2.99Å; D185-R219 IonicContact OD2-CZ 2.94Å; D185-R219 IonicContact OD2-NE 2.65Å; D185-R219 PolarHBondContact OD2-NE 3.12Å; D185-R219 IonicContact OD2-NH2 3.9Å; D185-R219 PolarHBondContact OD2-NH2 3.46Å; M211-R219 PolarHBondContact O-NH1 2.98Å; P212-R219 PolarHBondContact O-NH2 3.48Å; E213-R219 HydrophobicContact CG-CB 3.74Å; E213-R219 HydrophobicContact CG-CG 4.13Å; E213-R219 WeakPolarHBondContact OE1-CB 3.36Å; R219-K250 VanDerWaalsContact O-CD 3.25Å; R219-K250 WeakPolarHBondContact O-CD 3.33Å; R219-K250 WeakPolarHBondContact O-CE 3.14Å; R219-K250 PolarHBondContact O-NZ 2.99Å; R219-K250 VanDerWaalsContact O-NZ 3.15Å
220	A	97.2	Very high	96.2	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.008	30%	0.303	C	S	.	.			trans	-82.1	160.7	174.4	0	0	0	0	0	110.9	R184 D185 F186 I218 D248	R184-A220 HydrophobicContact CB-CB 4.06Å; R184-A220 HydrophobicContact CG-CB 3.59Å; D185-A220 PolarHBondContact O-N 3.27Å; F186-A220 HydrophobicContact CD1-CB 3.87Å; F186-A220 WeakPolarHBondContact CD1-O 3.3Å; F186-A220 HydrophobicContact CE1-CB 3.2Å; F186-A220 HydrophobicContact CZ-CB 3.67Å; I218-A220 PolarHBondContact O-N 2.91Å; I218-A220 VanDerWaalsContact O-N 3.1Å; A220-D248 WeakPolarHBondContact CA-O 3.4Å; A220-D248 WeakPolarHBondContact CB-O 3.44Å
221	E	97.9	Very high	96.3	Very high	88 Å²	88	51.1 Å²	51.1	41%	0.411	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.5	-172	-74	179	-165.7	0	0	111.9	S205 L247 D248 K250	S205-E221 WeakPolarHBondContact OG-CA 3.39Å; S205-E221 WeakPolarHBondContact OG-CB 3.33Å; E221-L247 WeakPolarHBondContact O-CD1 3.35Å; E221-D248 PolarHBondContact N-O 3.12Å; E221-D248 PolarHBondContact O-N 2.74Å; E221-K250 VanDerWaalsContact CD-CE 3.44Å; E221-K250 VanDerWaalsContact OE1-CE 3.25Å; E221-K250 WeakPolarHBondContact OE1-CE 3.16Å; E221-K250 IonicContact OE1-NZ 3.16Å; E221-K250 PolarHBondContact OE1-NZ 3.47Å
222	N	97.3	Very high	96.3	Very high	15 Å²	15	50.9 Å²	50.9	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	127	159.7	-69.8	-57.1	0	0	0	110.6	S188 S205 T225 S246 L247	S188-N222 PolarHBondContact OG-ND2 3.01Å; S205-N222 WeakPolarHBondContact CB-O 3.41Å; S205-N222 PolarHBondContact N-O 3.13Å; S205-N222 WeakPolarHBondContact OG-CA 3.44Å; S205-N222 PolarHBondContact OG-N 2.93Å; S205-N222 PolarHBondContact OG-O 2.77Å; N222-T225 HydrophobicContact CB-CG2 4.48Å; N222-S246 WeakPolarHBondContact CA-O 3.22Å; N222-L247 HydrophobicContact CB-CD1 4.45Å; N222-L247 WeakPolarHBondContact OD1-CD1 3.4Å
223	G	97.4	Very high	96.2	Very high	19 Å²	19	51.9 Å²	51.9	20%	0.196	29%	0.292	C	S	.	.			trans	-74.8	-159.9	155.5	0	0	0	0	0	110.6	T225 S246	G223-T225 PolarHBondContact O-N 2.78Å; G223-S246 PolarHBondContact N-O 2.83Å
224	P	97.4	Very high	96.2	Very high	14 Å²	14	55.1 Å²	55.1	9%	0.091	31%	0.307	C	S	.	.	S	Bend	trans	-61.1	113.1	172.2	-21.6	33.9	0	0	0	110.9	K87 I118 S246	K87-P224 HydrophobicContact CB-CB 4.04Å; K87-P224 HydrophobicContact CB-CG 4.11Å; K87-P224 HydrophobicContact CD-CG 4.01Å; I118-P224 HydrophobicContact CD1-CG 4.12Å; P224-S246 WeakPolarHBondContact O-CB 3.49Å
225	T	97.6	Very high	96.3	Very high	4 Å²	4	53 Å²	53	3%	0.025	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.4	176.8	-174.4	0	0	0	0	109.5	A202 G203 N222 G223 W243 L244	A202-T225 CarbonylContact C-O 3.55Å; A202-T225 VanDerWaalsContact CA-O 3.28Å; A202-T225 WeakPolarHBondContact CA-O 3.43Å; G203-T225 PolarHBondContact N-O 3Å; G203-T225 VanDerWaalsContact O-CG2 3.3Å; G203-T225 WeakPolarHBondContact O-CG2 3.4Å; G203-T225 PolarHBondContact O-N 2.96Å; N222-T225 HydrophobicContact CB-CG2 4.48Å; G223-T225 PolarHBondContact O-N 2.78Å; T225-W243 PolarHBondContact OG1-NE1 3.28Å; T225-L244 WeakPolarHBondContact CA-O 3.37Å; T225-L244 PolarHBondContact OG1-O 2.86Å
226	C	98.3	Very high	96.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	133.4	177.8	-173.2	0	0	0	0	112.4	A88 L201 A202 W243 L244	A88-C226 HydrophobicContact CB-CB 3.34Å; L201-C226 CarbonylContact O-C 3.55Å; L201-C226 WeakPolarHBondContact O-CA 3.3Å; A202-C226 HydrophobicContact CB-CB 4.33Å; C226-W243 CarbonylContact O-C 3.57Å; C226-W243 WeakPolarHBondContact O-CA 3.36Å; C226-L244 PolarHBondContact N-O 3.09Å; C226-L244 PolarHBondContact O-N 3.48Å
227	I	98.7	Very high	96.8	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.077	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128	164.3	-65	173.3	0	0	0	108.1	F200 L201 M229 F241 T242 W243	F200-I227 CarbonylContact C-O 3.48Å; F200-I227 VanDerWaalsContact CA-O 3.31Å; F200-I227 WeakPolarHBondContact CA-O 2.87Å; L201-I227 HydrophobicContact CB-CB 4.32Å; L201-I227 HydrophobicContact CD2-CD1 4.46Å; L201-I227 PolarHBondContact N-O 3.49Å; L201-I227 PolarHBondContact O-N 3.31Å; I227-M229 HydrophobicContact CG2-CE 4.33Å; I227-M229 HydrophobicContact CG2-CG 4.06Å; I227-F241 HydrophobicContact CB-CZ 4.4Å; I227-F241 HydrophobicContact CD1-CZ 4.09Å; I227-F241 HydrophobicContact CG1-CZ 4.14Å; I227-F241 HydrophobicContact CG2-CD2 4.12Å; I227-F241 HydrophobicContact CG2-CE1 4.32Å; I227-F241 HydrophobicContact CG2-CE2 3.31Å; I227-F241 HydrophobicContact CG2-CZ 3.43Å; I227-F241 VanDerWaalsContact CG2-CZ 3.43Å; I227-T242 CarbonylContact C-O 3.59Å; I227-T242 WeakPolarHBondContact CA-O 3.14Å; I227-W243 HydrophobicContact CG1-CB 4.09Å; I227-W243 HydrophobicContact CG1-CG 3.85Å
228	V	98.6	Very high	97.1	Very high	20 Å²	20	49.2 Å²	49.2	12%	0.121	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.1	173.7	-172.4	0	0	0	0	108.4	L92 T198 F200 F241 T242	L92-V228 HydrophobicContact CD1-CG2 3.7Å; T198-V228 HydrophobicContact CG2-CG1 3.74Å; F200-V228 HydrophobicContact CD1-CB 4.49Å; F200-V228 HydrophobicContact CD1-CG1 4.18Å; F200-V228 HydrophobicContact CD1-CG2 3.92Å; F200-V228 HydrophobicContact CE1-CG1 3.81Å; F200-V228 HydrophobicContact CE1-CG2 4.05Å; F200-V228 HydrophobicContact CZ-CG1 4.47Å; V228-F241 WeakPolarHBondContact O-CA 3.43Å; V228-T242 PolarHBondContact N-O 3.3Å; V228-T242 PolarHBondContact O-N 3.38Å
229	M	98.6	Very high	97.2	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	102.8	175.7	-66.4	167.5	-80.2	0	0	108	P132 L135 Y136 L139 T198 C199 I227 T239 F241	P132-M229 HydrophobicContact CB-CB 4.41Å; L135-M229 HydrophobicContact CB-CG 4.42Å; L135-M229 HydrophobicContact CB-SD 3.6Å; Y136-M229 HydrophobicContact CD2-CE 4.16Å; L139-M229 HydrophobicContact CD1-SD 4.12Å; T198-M229 WeakPolarHBondContact CA-O 3.31Å; C199-M229 HydrophobicContact CB-CB 4.24Å; C199-M229 HydrophobicContact CB-CE 3.89Å; C199-M229 PolarHBondContact N-O 3.46Å; C199-M229 PolarHBondContact O-N 2.98Å; I227-M229 HydrophobicContact CG2-CE 4.33Å; I227-M229 HydrophobicContact CG2-CG 4.06Å; M229-T239 HydrophobicContact CB-CG2 3.9Å; M229-T239 HydrophobicContact CG-CG2 4.37Å; M229-F241 HydrophobicContact CG-CD2 3.95Å; M229-F241 HydrophobicContact CG-CE2 4.2Å
230	K	98.1	Very high	97.2	Very high	112 Å²	112	49.7 Å²	49.7	49%	0.487	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.2	-178.3	-177	179.4	175.6	-179.3	0	109.9	T198 C232 T239 K240	T198-K230 HydrophobicContact CG2-CB 4.04Å; T198-K230 HydrophobicContact CG2-CG 4.43Å; K230-C232 PolarHBondContact O-N 2.97Å; K230-T239 CarbonylContact O-C 3.48Å; K230-T239 WeakPolarHBondContact O-CA 3.33Å; K230-K240 PolarHBondContact N-O 2.92Å; K230-K240 VanDerWaalsContact N-O 3.12Å; K230-K240 PolarHBondContact O-N 2.97Å
231	P	97.9	Very high	97.3	Very high	21 Å²	21	49.7 Å²	49.7	14%	0.136	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	140.7	171.8	-14	19.6	0	0	0	111.4	P132 S197 K238	P132-P231 HydrophobicContact CG-CB 4.28Å; P132-P231 HydrophobicContact CG-CG 3.89Å; S197-P231 VanDerWaalsContact O-CD 3.28Å; S197-P231 WeakPolarHBondContact O-CD 3.45Å; P231-K238 WeakPolarHBondContact CA-O 3.5Å
232	C	97.4	Very high	97.3	Very high	23 Å²	23	46.2 Å²	46.2	16%	0.155	26%	0.257	C	S	.	.			trans	-65.9	143.4	171.4	-72.7	0	0	0	0	109.9	K230 E234 D235 K238 K240	K230-C232 PolarHBondContact O-N 2.97Å; C232-E234 VanDerWaalsContact C-N 3.26Å; C232-E234 PolarHBondContact O-N 2.93Å; C232-D235 WeakPolarHBondContact CB-O 3.49Å; C232-D235 CarbonylContact O-C 3.56Å; C232-K238 HydrophobicContact CB-CB 4.17Å; C232-K238 PolarHBondContact N-O 2.95Å; C232-K240 PolarHBondContact SG-N 3.22Å; C232-K240 VanDerWaalsContact SG-N 3.4Å
233	A	94.6	Very high	97.4	Very high	110 Å²	110	47 Å²	47	91%	0.909	26%	0.258	S	S	*	.	S	Bend	trans	-67.8	-31	-179.7	0	0	0	0	0	112.3
234	E	94.9	Very high	97.5	Very high	197 Å²	197	46 Å²	46	92%	0.921	25%	0.249	S	C	*	.	S	Bend	trans	-83.4	-31.5	-178.3	-63.9	161.8	-155.2	0	0	112.3	C232	C232-E234 VanDerWaalsContact C-N 3.26Å; C232-E234 PolarHBondContact O-N 2.93Å
235	D	96	Very high	97.5	Very high	51 Å²	51	45.8 Å²	45.8	27%	0.273	25%	0.247	S	C	.	.			trans	-147.2	104.6	-179.6	-174.4	-8.2	0	0	0	110.4	C232 N237 K238	C232-D235 WeakPolarHBondContact CB-O 3.49Å; C232-D235 CarbonylContact O-C 3.56Å; D235-N237 PolarHBondContact O-N 3.34Å; D235-N237 VanDerWaalsContact O-N 3.17Å; D235-N237 WeakPolarHBondContact OD1-CB 3.47Å; D235-N237 PolarHBondContact OD1-N 2.7Å; D235-K238 HydrophobicContact CB-CB 4.43Å; D235-K238 HydrophobicContact CB-CD 4.09Å; D235-K238 HydrophobicContact CB-CG 4.07Å; D235-K238 PolarHBondContact O-N 3.44Å; D235-K238 WeakPolarHBondContact OD2-CE 3.32Å
236	P	94.6	Very high	97.5	Very high	81 Å²	81	46 Å²	46	53%	0.526	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.2	178.9	-24	34.8	0	0	0	114.8	H131 K238	H131-P236 PolarHBondContact CD2-O 3.27Å; P236-K238 PolarHBondContact O-N 3.5Å
237	N	95.6	Very high	97.3	Very high	108 Å²	108	47.5 Å²	47.5	58%	0.578	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.8	174.9	-61.9	-47.3	0	0	0	112.8	Q130 H131 D235	Q130-N237 CarbonylContact C-O 3.57Å; H131-N237 PolarHBondContact N-O 3.31Å; D235-N237 PolarHBondContact O-N 3.34Å; D235-N237 VanDerWaalsContact O-N 3.17Å; D235-N237 WeakPolarHBondContact OD1-CB 3.47Å; D235-N237 PolarHBondContact OD1-N 2.7Å
238	K	97.6	Very high	97.1	Very high	60 Å²	60	50.9 Å²	50.9	26%	0.261	27%	0.274	S	S	.	.	S	Bend	trans	-108.5	152.1	172.7	-58.4	-176.7	-171.4	-147.5	0	110.4	V127 M128 E129 Q130 P231 C232 D235 P236	V127-K238 HydrophobicContact CG1-CB 4.29Å; V127-K238 HydrophobicContact CG1-CD 4.44Å; M128-K238 WeakPolarHBondContact O-CA 3.36Å; E129-K238 IonicContact OE1-NZ 2.97Å; E129-K238 PolarHBondContact OE1-NZ 3.29Å; E129-K238 VanDerWaalsContact OE2-CD 3.31Å; E129-K238 WeakPolarHBondContact OE2-CD 3.49Å; E129-K238 WeakPolarHBondContact OE2-CE 3.32Å; E129-K238 IonicContact OE2-NZ 3.49Å; E129-K238 PolarHBondContact OE2-NZ 2.93Å; Q130-K238 CarbonylContact O-C 3.59Å; P231-K238 WeakPolarHBondContact CA-O 3.5Å; C232-K238 HydrophobicContact CB-CB 4.17Å; C232-K238 PolarHBondContact N-O 2.95Å; D235-K238 HydrophobicContact CB-CB 4.43Å; D235-K238 HydrophobicContact CB-CD 4.09Å; D235-K238 HydrophobicContact CB-CG 4.07Å; D235-K238 PolarHBondContact O-N 3.44Å; D235-K238 WeakPolarHBondContact OD2-CE 3.32Å; P236-K238 PolarHBondContact O-N 3.5Å
239	T	98.5	Very high	96.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.8	-179.8	-58.8	0	0	0	0	111	V127 M128 Q130 P132 L135 M229 K230 F241	V127-T239 WeakPolarHBondContact CA-O 3.41Å; M128-T239 PolarHBondContact N-O 3.49Å; M128-T239 PolarHBondContact O-N 3.34Å; Q130-T239 PolarHBondContact O-N 3.44Å; Q130-T239 PolarHBondContact O-OG1 3.42Å; P132-T239 WeakPolarHBondContact CA-OG1 3.45Å; P132-T239 VanDerWaalsContact CD-OG1 3.27Å; P132-T239 WeakPolarHBondContact CD-OG1 3.37Å; P132-T239 HydrophobicContact CG-CG2 4.28Å; P132-T239 VanDerWaalsContact CG-OG1 3.3Å; P132-T239 WeakPolarHBondContact CG-OG1 3.27Å; P132-T239 VanDerWaalsContact N-OG1 3.15Å; L135-T239 HydrophobicContact CD1-CG2 3.69Å; M229-T239 HydrophobicContact CB-CG2 3.9Å; M229-T239 HydrophobicContact CG-CG2 4.37Å; K230-T239 CarbonylContact O-C 3.48Å; K230-T239 WeakPolarHBondContact O-CA 3.33Å; T239-F241 HydrophobicContact CG2-CB 4.43Å; T239-F241 PolarHBondContact O-N 3.29Å
240	K	98.3	Very high	96.5	Very high	105 Å²	105	53.2 Å²	53.2	46%	0.457	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	101.7	157.5	-176.4	174.9	-178	174	0	107.7	K230 C232	K230-K240 PolarHBondContact N-O 2.92Å; K230-K240 VanDerWaalsContact N-O 3.12Å; K230-K240 PolarHBondContact O-N 2.97Å; C232-K240 PolarHBondContact SG-N 3.22Å; C232-K240 VanDerWaalsContact SG-N 3.4Å
241	F	98.6	Very high	96.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127	-178.8	-177.7	-80.2	0	0	0	109.4	L124 V126 M128 L135 L139 I227 V228 M229 T239 W243 F269 L273	L124-F241 HydrophobicContact CD2-CD1 4.43Å; L124-F241 HydrophobicContact CD2-CE1 4.13Å; V126-F241 HydrophobicContact CG2-CB 3.66Å; V126-F241 HydrophobicContact CG2-CD1 3.65Å; V126-F241 HydrophobicContact CG2-CG 3.99Å; V126-F241 PolarHBondContact N-O 2.94Å; V126-F241 PolarHBondContact O-N 3.44Å; V126-F241 VanDerWaalsContact O-O 3.13Å; M128-F241 HydrophobicContact CG-CB 3.93Å; M128-F241 HydrophobicContact CG-CG 4.37Å; L135-F241 HydrophobicContact CD1-CD2 4.45Å; L139-F241 HydrophobicContact CD1-CE2 3.61Å; L139-F241 HydrophobicContact CD1-CZ 4.24Å; I227-F241 HydrophobicContact CB-CZ 4.4Å; I227-F241 HydrophobicContact CD1-CZ 4.09Å; I227-F241 HydrophobicContact CG1-CZ 4.14Å; I227-F241 HydrophobicContact CG2-CD2 4.12Å; I227-F241 HydrophobicContact CG2-CE1 4.32Å; I227-F241 HydrophobicContact CG2-CE2 3.31Å; I227-F241 HydrophobicContact CG2-CZ 3.43Å; I227-F241 VanDerWaalsContact CG2-CZ 3.43Å; V228-F241 WeakPolarHBondContact O-CA 3.43Å; M229-F241 HydrophobicContact CG-CD2 3.95Å; M229-F241 HydrophobicContact CG-CE2 4.2Å; T239-F241 HydrophobicContact CG2-CB 4.43Å; T239-F241 PolarHBondContact O-N 3.29Å; F241-W243 HydrophobicContact CE1-CB 3.77Å; F241-W243 HydrophobicContact CZ-CB 4.4Å; F241-F269 HydrophobicContact CE1-CE1 4.02Å; F241-F269 AromaticContact CZ-CE1 3.63Å; F241-F269 HydrophobicContact CZ-CE1 3.63Å; F241-F269 HydrophobicContact CZ-CZ 4.35Å; F241-L273 HydrophobicContact CE2-CD2 4.15Å; F241-L273 HydrophobicContact CZ-CD2 4.4Å
242	T	98.7	Very high	95.7	Very high	16 Å²	16	62.2 Å²	62.2	10%	0.098	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.7	177.4	-57.2	0	0	0	0	109.7	L92 K123 L124 E125 I227 V228	L92-T242 HydrophobicContact CD1-CG2 4.46Å; L92-T242 HydrophobicContact CD2-CG2 3.86Å; K123-T242 HydrophobicContact CD-CG2 4.11Å; K123-T242 HydrophobicContact CG-CG2 3.89Å; L124-T242 CarbonylContact O-C 3.57Å; L124-T242 VanDerWaalsContact O-CA 3.25Å; L124-T242 WeakPolarHBondContact O-CA 3.46Å; E125-T242 HydrophobicContact CG-CG2 4.46Å; I227-T242 CarbonylContact C-O 3.59Å; I227-T242 WeakPolarHBondContact CA-O 3.14Å; V228-T242 PolarHBondContact N-O 3.3Å; V228-T242 PolarHBondContact O-N 3.38Å
243	W	98.8	Very high	95.3	Very high	30 Å²	30	62.5 Å²	62.5	11%	0.114	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.9	177.1	175.6	29.8	0	0	0	111.1	K123 L124 T225 C226 I227 F241 L245 Q266 F269	K123-W243 CarbonylContact C-O 3.53Å; K123-W243 WeakPolarHBondContact CA-O 3.15Å; L124-W243 HydrophobicContact CB-CB 4.13Å; L124-W243 HydrophobicContact CD2-CB 4.34Å; L124-W243 HydrophobicContact CD2-CE3 4.01Å; L124-W243 PolarHBondContact N-O 3.44Å; L124-W243 PolarHBondContact O-N 2.95Å; T225-W243 PolarHBondContact OG1-NE1 3.28Å; C226-W243 CarbonylContact O-C 3.57Å; C226-W243 WeakPolarHBondContact O-CA 3.36Å; I227-W243 HydrophobicContact CG1-CB 4.09Å; I227-W243 HydrophobicContact CG1-CG 3.85Å; F241-W243 HydrophobicContact CE1-CB 3.77Å; F241-W243 HydrophobicContact CZ-CB 4.4Å; W243-L245 HydrophobicContact CH2-CD2 4.24Å; W243-L245 HydrophobicContact CZ2-CB 4.38Å; W243-L245 HydrophobicContact CZ2-CD1 3.82Å; W243-L245 HydrophobicContact CZ2-CD2 4.04Å; W243-L245 HydrophobicContact CZ2-CG 4.3Å; W243-Q266 HydrophobicContact CE3-CB 4.27Å; W243-Q266 HydrophobicContact CE3-CG 3.81Å; W243-Q266 HydrophobicContact CH2-CG 4.35Å; W243-Q266 HydrophobicContact CZ3-CB 4.2Å; W243-Q266 HydrophobicContact CZ3-CG 3.73Å; W243-Q266 PolarHBondContact O-NE2 3.08Å; W243-F269 HydrophobicContact CE3-CB 4.48Å; W243-F269 AromaticContact CE3-CD1 3.92Å; W243-F269 HydrophobicContact CE3-CD1 3.92Å; W243-F269 HydrophobicContact CE3-CE1 4.46Å; W243-F269 HydrophobicContact CE3-CG 4.2Å; W243-F269 HydrophobicContact CH2-CG 4.48Å; W243-F269 HydrophobicContact CZ3-CB 3.73Å; W243-F269 AromaticContact CZ3-CD1 3.92Å; W243-F269 HydrophobicContact CZ3-CD1 3.92Å; W243-F269 HydrophobicContact CZ3-CD2 4.3Å; W243-F269 AromaticContact CZ3-CG 3.71Å; W243-F269 HydrophobicContact CZ3-CG 3.71Å
244	L	98.6	Very high	95.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.2	168	-179.6	70.4	0	0	0	109.2	A88 I91 L92 W98 V121 F122 T225 C226	A88-L244 HydrophobicContact CB-CD2 3.77Å; I91-L244 HydrophobicContact CB-CD2 4.03Å; I91-L244 HydrophobicContact CD1-CD2 4.01Å; I91-L244 HydrophobicContact CG2-CD1 3.82Å; I91-L244 HydrophobicContact CG2-CD2 3.95Å; L92-L244 HydrophobicContact CD1-CB 4.3Å; L92-L244 HydrophobicContact CD2-CB 4.08Å; L92-L244 HydrophobicContact CD2-CD1 4.44Å; L92-L244 HydrophobicContact CG-CB 4.27Å; L92-L244 HydrophobicContact CG-CD2 4.42Å; W98-L244 HydrophobicContact CH2-CD1 3.86Å; V121-L244 HydrophobicContact CB-CD1 4.12Å; V121-L244 HydrophobicContact CG2-CD1 4.07Å; F122-L244 CarbonylContact O-C 3.56Å; F122-L244 WeakPolarHBondContact O-CA 3.5Å; T225-L244 WeakPolarHBondContact CA-O 3.37Å; T225-L244 PolarHBondContact OG1-O 2.86Å; C226-L244 PolarHBondContact N-O 3.09Å; C226-L244 PolarHBondContact O-N 3.48Å
245	L	98	Very high	95	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.8	176.6	-178.1	61.2	0	0	0	110.2	V121 F122 W243 L247 L262 Q266	V121-L245 WeakPolarHBondContact CA-O 3.44Å; F122-L245 HydrophobicContact CB-CB 4.49Å; F122-L245 PolarHBondContact N-O 3.24Å; F122-L245 PolarHBondContact O-N 3.03Å; W243-L245 HydrophobicContact CH2-CD2 4.24Å; W243-L245 HydrophobicContact CZ2-CB 4.38Å; W243-L245 HydrophobicContact CZ2-CD1 3.82Å; W243-L245 HydrophobicContact CZ2-CD2 4.04Å; W243-L245 HydrophobicContact CZ2-CG 4.3Å; L245-L247 HydrophobicContact CD1-CB 4.34Å; L245-L247 HydrophobicContact CG-CB 4.44Å; L245-L262 HydrophobicContact CD2-CD2 4.38Å; L245-Q266 HydrophobicContact CD2-CG 4.17Å
246	S	96.9	Very high	94.7	Very high	8 Å²	8	62.2 Å²	62.2	6%	0.056	32%	0.319	C	S	.	.			trans	-123.4	117.4	169.4	177.3	0	0	0	0	107.4	I118 N222 G223 P224	I118-S246 WeakPolarHBondContact CG2-OG 3.49Å; N222-S246 WeakPolarHBondContact CA-O 3.22Å; G223-S246 PolarHBondContact N-O 2.83Å; P224-S246 WeakPolarHBondContact O-CB 3.49Å
247	L	94.8	Very high	94.5	Very high	32 Å²	32	61.2 Å²	61.2	17%	0.168	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	132	-170.8	-164.6	64.3	0	0	0	112.2	F186 E221 N222 L245 L249 L262	F186-L247 HydrophobicContact CD1-CD1 4.07Å; F186-L247 HydrophobicContact CE1-CD1 3.33Å; F186-L247 HydrophobicContact CE1-CD2 4.22Å; F186-L247 HydrophobicContact CE1-CG 4.2Å; F186-L247 HydrophobicContact CZ-CD1 4.08Å; F186-L247 HydrophobicContact CZ-CD2 4.16Å; E221-L247 WeakPolarHBondContact O-CD1 3.35Å; N222-L247 HydrophobicContact CB-CD1 4.45Å; N222-L247 WeakPolarHBondContact OD1-CD1 3.4Å; L245-L247 HydrophobicContact CD1-CB 4.34Å; L245-L247 HydrophobicContact CG-CB 4.44Å; L247-L249 HydrophobicContact CD2-CD2 3.55Å; L247-L249 HydrophobicContact CD2-CG 4.07Å; L247-L249 HydrophobicContact CG-CD2 4.24Å; L247-L249 HydrophobicContact CG-CG 4.47Å; L247-L262 HydrophobicContact CB-CD1 4.33Å; L247-L262 HydrophobicContact CB-CD2 4.26Å; L247-L262 HydrophobicContact CD2-CD2 3.59Å; L247-L262 HydrophobicContact CG-CD2 4.46Å
248	D	94.6	Very high	94.3	Very high	86 Å²	86	57.6 Å²	57.6	46%	0.46	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	106.7	162.9	-174.6	0.7	0	0	0	109.6	A220 E221 K250	A220-D248 WeakPolarHBondContact CA-O 3.4Å; A220-D248 WeakPolarHBondContact CB-O 3.44Å; E221-D248 PolarHBondContact N-O 3.12Å; E221-D248 PolarHBondContact O-N 2.74Å; D248-K250 PolarHBondContact O-N 2.76Å; D248-K250 WeakPolarHBondContact OD1-CA 3.42Å; D248-K250 PolarHBondContact OD1-N 3.15Å
249	L	93	Very high	94.1	Very high	12 Å²	12	56.8 Å²	56.8	6%	0.063	29%	0.288	C	S	.	.			trans	-70.7	-11.3	177.6	-71.5	175.9	0	0	0	113.6	V181 R184 F186 L247 I253 I258 L262	V181-L249 HydrophobicContact CG1-CD1 4.43Å; R184-L249 HydrophobicContact CG-CD2 4.29Å; R184-L249 PolarHBondContact NE-O 3.45Å; F186-L249 HydrophobicContact CZ-CD2 4.37Å; L247-L249 HydrophobicContact CD2-CD2 3.55Å; L247-L249 HydrophobicContact CD2-CG 4.07Å; L247-L249 HydrophobicContact CG-CD2 4.24Å; L247-L249 HydrophobicContact CG-CG 4.47Å; L249-I253 HydrophobicContact CB-CD1 4.46Å; L249-I258 HydrophobicContact CD1-CG2 4.34Å; L249-L262 HydrophobicContact CD1-CD2 4.35Å
250	K	92	Very high	93.8	Very high	58 Å²	58	64.4 Å²	64.4	25%	0.252	32%	0.321	S	S	.	.			trans	51.7	175.5	-171.8	-61.1	-166.5	-172.2	162.9	0	114	R184 I218 R219 E221 D248	R184-K250 PolarHBondContact NH2-O 2.95Å; I218-K250 HydrophobicContact CG2-CB 3.88Å; R219-K250 VanDerWaalsContact O-CD 3.25Å; R219-K250 WeakPolarHBondContact O-CD 3.33Å; R219-K250 WeakPolarHBondContact O-CE 3.14Å; R219-K250 PolarHBondContact O-NZ 2.99Å; R219-K250 VanDerWaalsContact O-NZ 3.15Å; E221-K250 VanDerWaalsContact CD-CE 3.44Å; E221-K250 VanDerWaalsContact OE1-CE 3.25Å; E221-K250 WeakPolarHBondContact OE1-CE 3.16Å; E221-K250 IonicContact OE1-NZ 3.16Å; E221-K250 PolarHBondContact OE1-NZ 3.47Å; D248-K250 PolarHBondContact O-N 2.76Å; D248-K250 WeakPolarHBondContact OD1-CA 3.42Å; D248-K250 PolarHBondContact OD1-N 3.15Å
251	G	88.9	Confident	93.4	Very high	59 Å²	59	61 Å²	61	61%	0.608	31%	0.309	S	S	*	.	S	Bend	trans	78.1	-170.4	179.7	0	0	0	0	0	113.3	I253	G251-I253 PolarHBondContact O-N 3.35Å
252	W	88.9	Confident	93.1	Very high	263 Å²	263	61.3 Å²	61.3	100%	0.996	31%	0.311	S	S	*	.	S	Bend	trans	-98	73.1	-171.2	-154.2	60.6	0	0	0	111.6
253	I	89.4	Confident	92.9	Very high	28 Å²	28	60.9 Å²	60.9	14%	0.144	31%	0.308	C	S	.	.			trans	-116	129	178.6	-53.7	168.5	0	0	0	109.4	V181 R184 L249 G251 K255 I257 I258	V181-I253 HydrophobicContact CB-CD1 4.39Å; V181-I253 HydrophobicContact CG1-CD1 3.8Å; V181-I253 HydrophobicContact CG2-CD1 4.06Å; R184-I253 VanDerWaalsContact NH2-CD1 3.27Å; L249-I253 HydrophobicContact CB-CD1 4.46Å; G251-I253 PolarHBondContact O-N 3.35Å; I253-K255 PolarHBondContact O-N 2.76Å; I253-I257 HydrophobicContact CG2-CB 4.07Å; I253-I257 HydrophobicContact CG2-CG2 3.91Å; I253-I258 HydrophobicContact CB-CD1 4.09Å; I253-I258 HydrophobicContact CB-CG1 3.93Å; I253-I258 HydrophobicContact CG2-CD1 4.34Å; I253-I258 HydrophobicContact CG2-CG1 3.65Å
254	P	91.9	Very high	92.6	Very high	76 Å²	76	63.8 Å²	63.8	49%	0.494	32%	0.323	S	S	.	.			trans	-55	134.1	173.1	-27.3	35	0	0	0	112.7	T256 I257 I258	P254-T256 PolarHBondContact O-N 2.85Å; P254-T256 VanDerWaalsContact O-N 3.13Å; P254-I257 HydrophobicContact CB-CD1 4.17Å; P254-I257 HydrophobicContact CB-CG1 4.27Å; P254-I257 HydrophobicContact CG-CD1 3.95Å; P254-I257 WeakPolarHBondContact O-CB 3.2Å; P254-I257 PolarHBondContact O-N 3.33Å; P254-I258 PolarHBondContact O-N 2.94Å; P254-I258 VanDerWaalsContact O-N 3.09Å
255	K	91.1	Very high	92.4	Very high	171 Å²	171	65.7 Å²	65.7	74%	0.743	33%	0.334	S	S	*	.	H	α-helix	trans	-55.5	-34.2	-178.6	-68.9	-175.6	178.6	-178.5	0	113.6	I253 I257 I258 N259	I253-K255 PolarHBondContact O-N 2.76Å; K255-I257 VanDerWaalsContact C-N 3.33Å; K255-I258 PolarHBondContact O-N 3.3Å; K255-N259 WeakPolarHBondContact O-CB 3.43Å; K255-N259 PolarHBondContact O-N 2.85Å; K255-N259 PolarHBondContact O-ND2 3.09Å; K255-N259 PolarHBondContact O-OD1 3.29Å
256	T	90.9	Very high	92.3	Very high	106 Å²	106	65.3 Å²	65.3	65%	0.65	33%	0.332	S	S	*	.	H	α-helix	trans	-63.2	-39.9	176.8	48.2	0	0	0	0	112	P254 K260	P254-T256 PolarHBondContact O-N 2.85Å; P254-T256 VanDerWaalsContact O-N 3.13Å; T256-K260 PolarHBondContact O-N 3.24Å; T256-K260 VanDerWaalsContact O-N 3.17Å
257	I	90.2	Very high	92.3	Very high	60 Å²	60	66.2 Å²	66.2	31%	0.308	34%	0.338	S	S	.	.	H	α-helix	trans	-68.4	-47.1	175.9	-65.5	176.1	0	0	0	109.7	V180 I253 P254 K255 N259 K260 V261	V180-I257 HydrophobicContact CG1-CD1 4.5Å; V180-I257 HydrophobicContact CG1-CG2 3.79Å; I253-I257 HydrophobicContact CG2-CB 4.07Å; I253-I257 HydrophobicContact CG2-CG2 3.91Å; P254-I257 HydrophobicContact CB-CD1 4.17Å; P254-I257 HydrophobicContact CB-CG1 4.27Å; P254-I257 HydrophobicContact CG-CD1 3.95Å; P254-I257 WeakPolarHBondContact O-CB 3.2Å; P254-I257 PolarHBondContact O-N 3.33Å; K255-I257 VanDerWaalsContact C-N 3.33Å; I257-N259 VanDerWaalsContact C-N 3.32Å; I257-N259 PolarHBondContact O-N 2.65Å; I257-K260 PolarHBondContact O-N 3.4Å; I257-V261 HydrophobicContact CG2-CG2 4.19Å; I257-V261 WeakPolarHBondContact O-CB 3.28Å; I257-V261 VanDerWaalsContact O-CG2 3.32Å; I257-V261 WeakPolarHBondContact O-CG2 3.35Å; I257-V261 PolarHBondContact O-N 2.85Å
258	I	91.4	Very high	92.3	Very high	31 Å²	31	66.9 Å²	66.9	16%	0.159	34%	0.342	C	S	.	.	H	α-helix	trans	-53.3	-52.5	176.2	-64.3	173	0	0	0	110	L249 I253 P254 K255 K260 V261 L262	L249-I258 HydrophobicContact CD1-CG2 4.34Å; I253-I258 HydrophobicContact CB-CD1 4.09Å; I253-I258 HydrophobicContact CB-CG1 3.93Å; I253-I258 HydrophobicContact CG2-CD1 4.34Å; I253-I258 HydrophobicContact CG2-CG1 3.65Å; P254-I258 PolarHBondContact O-N 2.94Å; P254-I258 VanDerWaalsContact O-N 3.09Å; K255-I258 PolarHBondContact O-N 3.3Å; I258-K260 VanDerWaalsContact C-N 3.31Å; I258-K260 PolarHBondContact O-N 2.66Å; I258-V261 PolarHBondContact O-N 3.06Å; I258-L262 HydrophobicContact CG2-CD1 3.72Å; I258-L262 HydrophobicContact CG2-CG 4.08Å; I258-L262 WeakPolarHBondContact O-CG 3.36Å; I258-L262 PolarHBondContact O-N 3.4Å
259	N	92.8	Very high	92.4	Very high	43 Å²	43	63.3 Å²	63.3	23%	0.23	32%	0.322	C	S	.	.	H	α-helix	trans	-59.1	-42.2	-177.3	-68.5	-13.2	0	0	0	112.6	F122 K255 I257 S263	F122-N259 HydrophobicContact CZ-CB 3.97Å; K255-N259 WeakPolarHBondContact O-CB 3.43Å; K255-N259 PolarHBondContact O-N 2.85Å; K255-N259 PolarHBondContact O-ND2 3.09Å; K255-N259 PolarHBondContact O-OD1 3.29Å; I257-N259 VanDerWaalsContact C-N 3.32Å; I257-N259 PolarHBondContact O-N 2.65Å; N259-S263 WeakPolarHBondContact O-CB 3.39Å; N259-S263 PolarHBondContact O-N 2.88Å
260	K	91.6	Very high	92.7	Very high	160 Å²	160	62.7 Å²	62.7	70%	0.696	32%	0.319	S	S	*	.	H	α-helix	trans	-65.2	-45.3	177.6	-173.2	177.2	-179.5	-178.9	0	111.5	T256 I257 I258 S263 Q264	T256-K260 PolarHBondContact O-N 3.24Å; T256-K260 VanDerWaalsContact O-N 3.17Å; I257-K260 PolarHBondContact O-N 3.4Å; I258-K260 VanDerWaalsContact C-N 3.31Å; I258-K260 PolarHBondContact O-N 2.66Å; K260-S263 PolarHBondContact O-N 3.04Å; K260-Q264 WeakPolarHBondContact O-CB 3.3Å; K260-Q264 PolarHBondContact O-N 3.28Å
261	V	90.9	Very high	92.9	Very high	33 Å²	33	62.5 Å²	62.5	20%	0.2	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-46	179.2	170.2	0	0	0	0	110.9	V181 I257 I258 Q264 T265	V181-V261 HydrophobicContact CG2-CG2 4.36Å; I257-V261 HydrophobicContact CG2-CG2 4.19Å; I257-V261 WeakPolarHBondContact O-CB 3.28Å; I257-V261 VanDerWaalsContact O-CG2 3.32Å; I257-V261 WeakPolarHBondContact O-CG2 3.35Å; I257-V261 PolarHBondContact O-N 2.85Å; I258-V261 PolarHBondContact O-N 3.06Å; V261-Q264 PolarHBondContact O-N 3.42Å; V261-T265 WeakPolarHBondContact O-CB 3.48Å; V261-T265 PolarHBondContact O-N 3.49Å; V261-T265 PolarHBondContact O-OG1 3.39Å
262	L	92.4	Very high	93.3	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-42.3	179.9	-63.4	-177.6	0	0	0	112.2	F122 L245 L247 L249 I258 T265 Q266	F122-L262 HydrophobicContact CD2-CB 4.03Å; F122-L262 HydrophobicContact CD2-CD1 4.02Å; F122-L262 HydrophobicContact CE2-CB 3.95Å; F122-L262 HydrophobicContact CE2-CD1 3.71Å; F122-L262 HydrophobicContact CE2-CG 4.46Å; F122-L262 HydrophobicContact CG-CB 4.46Å; F122-L262 HydrophobicContact CZ-CB 4.28Å; L245-L262 HydrophobicContact CD2-CD2 4.38Å; L247-L262 HydrophobicContact CB-CD1 4.33Å; L247-L262 HydrophobicContact CB-CD2 4.26Å; L247-L262 HydrophobicContact CD2-CD2 3.59Å; L247-L262 HydrophobicContact CG-CD2 4.46Å; L249-L262 HydrophobicContact CD1-CD2 4.35Å; I258-L262 HydrophobicContact CG2-CD1 3.72Å; I258-L262 HydrophobicContact CG2-CG 4.08Å; I258-L262 WeakPolarHBondContact O-CG 3.36Å; I258-L262 PolarHBondContact O-N 3.4Å; L262-T265 PolarHBondContact O-N 3.05Å; L262-Q266 PolarHBondContact O-N 3.17Å
263	S	94.1	Very high	93.7	Very high	7 Å²	7	49.2 Å²	49.2	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-48.5	175.1	-171.4	0	0	0	0	111.4	T102 V110 N259 K260 T265 Q266 V267	T102-S263 PolarHBondContact OG1-OG 3.22Å; V110-S263 WeakPolarHBondContact CG1-OG 3.47Å; N259-S263 WeakPolarHBondContact O-CB 3.39Å; N259-S263 PolarHBondContact O-N 2.88Å; K260-S263 PolarHBondContact O-N 3.04Å; S263-T265 VanDerWaalsContact C-N 3.34Å; S263-T265 PolarHBondContact O-N 2.88Å; S263-Q266 PolarHBondContact O-N 3.3Å; S263-V267 PolarHBondContact O-N 3.42Å
264	Q	93	Very high	94.1	Very high	91 Å²	91	50.8 Å²	50.8	43%	0.425	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-40.7	179.2	-170.6	61.9	51.5	0	0	111.9	K260 V261 Q266 V267 D268	K260-Q264 WeakPolarHBondContact O-CB 3.3Å; K260-Q264 PolarHBondContact O-N 3.28Å; V261-Q264 PolarHBondContact O-N 3.42Å; Q264-Q266 PolarHBondContact O-N 2.7Å; Q264-V267 PolarHBondContact O-N 2.88Å; Q264-V267 VanDerWaalsContact O-N 3.09Å; Q264-D268 PolarHBondContact NE2-OD1 3.42Å; Q264-D268 WeakPolarHBondContact O-CB 3.42Å; Q264-D268 VanDerWaalsContact O-CG 3.26Å; Q264-D268 PolarHBondContact O-N 2.97Å
265	T	93.6	Very high	94.3	Very high	39 Å²	39	51.5 Å²	51.5	24%	0.239	26%	0.262	C	S	.	.	H	α-helix	trans	-56.6	-38.6	177.8	-60.2	0	0	0	0	111.6	V261 L262 S263 F269	V261-T265 WeakPolarHBondContact O-CB 3.48Å; V261-T265 PolarHBondContact O-N 3.49Å; V261-T265 PolarHBondContact O-OG1 3.39Å; L262-T265 PolarHBondContact O-N 3.05Å; S263-T265 VanDerWaalsContact C-N 3.34Å; S263-T265 PolarHBondContact O-N 2.88Å; T265-F269 VanDerWaalsContact O-CB 3.23Å; T265-F269 WeakPolarHBondContact O-CB 3.43Å; T265-F269 PolarHBondContact O-N 2.86Å
266	Q	97	Very high	94.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.7	-40.5	177.1	-66.8	-161.1	-58.6	0	0	112.9	V110 L124 W243 L245 L262 S263 Q264 A270	V110-Q266 HydrophobicContact CG2-CB 4Å; L124-Q266 HydrophobicContact CB-CB 4.09Å; L124-Q266 HydrophobicContact CB-CG 4.42Å; L124-Q266 HydrophobicContact CD1-CB 4.23Å; L124-Q266 HydrophobicContact CD2-CB 4.26Å; L124-Q266 WeakPolarHBondContact CD2-O 3.39Å; L124-Q266 HydrophobicContact CG-CB 4.42Å; W243-Q266 HydrophobicContact CE3-CB 4.27Å; W243-Q266 HydrophobicContact CE3-CG 3.81Å; W243-Q266 HydrophobicContact CH2-CG 4.35Å; W243-Q266 HydrophobicContact CZ3-CB 4.2Å; W243-Q266 HydrophobicContact CZ3-CG 3.73Å; W243-Q266 PolarHBondContact O-NE2 3.08Å; L245-Q266 HydrophobicContact CD2-CG 4.17Å; L262-Q266 PolarHBondContact O-N 3.17Å; S263-Q266 PolarHBondContact O-N 3.3Å; Q264-Q266 PolarHBondContact O-N 2.7Å; Q266-A270 PolarHBondContact O-N 3.47Å; Q266-A270 VanDerWaalsContact O-N 3.12Å
267	V	95.6	Very high	94.8	Very high	28 Å²	28	41.1 Å²	41.1	17%	0.17	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-47.8	175.5	177	0	0	0	0	110.5	V110 S263 Q264 F269 A270 S271	V110-V267 HydrophobicContact CG2-CG2 3.78Å; S263-V267 PolarHBondContact O-N 3.42Å; Q264-V267 PolarHBondContact O-N 2.88Å; Q264-V267 VanDerWaalsContact O-N 3.09Å; V267-F269 PolarHBondContact O-N 3.01Å; V267-A270 PolarHBondContact O-N 3.06Å; V267-S271 PolarHBondContact O-N 3.43Å
268	D	95.3	Very high	94.8	Very high	46 Å²	46	41 Å²	41	25%	0.246	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-44.6	179.7	-66.9	-13.1	0	0	0	110.8	N152 Q264 A270 S271 H272	N152-D268 WeakPolarHBondContact ND2-CB 3.3Å; Q264-D268 PolarHBondContact NE2-OD1 3.42Å; Q264-D268 WeakPolarHBondContact O-CB 3.42Å; Q264-D268 VanDerWaalsContact O-CG 3.26Å; Q264-D268 PolarHBondContact O-N 2.97Å; D268-A270 VanDerWaalsContact C-N 3.33Å; D268-A270 PolarHBondContact O-N 3.26Å; D268-S271 WeakPolarHBondContact O-CB 3.15Å; D268-S271 PolarHBondContact O-N 2.77Å; D268-S271 VanDerWaalsContact O-N 3.13Å; D268-H272 VanDerWaalsContact O-CG 3.23Å; D268-H272 PolarHBondContact O-N 3.23Å; D268-H272 PolarHBondContact O-ND1 2.84Å
269	F	97.2	Very high	94.2	Very high	10 Å²	10	44.2 Å²	44.2	4%	0.044	23%	0.232	C	C	.	.	H	α-helix	trans	-55.5	-47.3	175.6	176.2	-90	0	0	0	112	L139 M146 W149 F241 W243 T265 V267 S271 H272 L273	L139-F269 HydrophobicContact CD2-CE2 4.39Å; L139-F269 HydrophobicContact CD2-CZ 3.79Å; M146-F269 HydrophobicContact CE-CE2 4.46Å; M146-F269 HydrophobicContact SD-CE2 4.42Å; W149-F269 HydrophobicContact CH2-CD2 4.46Å; W149-F269 AromaticContact CH2-CE2 3.85Å; W149-F269 HydrophobicContact CH2-CE2 3.85Å; W149-F269 HydrophobicContact CH2-CZ 4.32Å; W149-F269 HydrophobicContact CZ3-CE2 4.43Å; F241-F269 HydrophobicContact CE1-CE1 4.02Å; F241-F269 AromaticContact CZ-CE1 3.63Å; F241-F269 HydrophobicContact CZ-CE1 3.63Å; F241-F269 HydrophobicContact CZ-CZ 4.35Å; W243-F269 HydrophobicContact CE3-CB 4.48Å; W243-F269 AromaticContact CE3-CD1 3.92Å; W243-F269 HydrophobicContact CE3-CD1 3.92Å; W243-F269 HydrophobicContact CE3-CE1 4.46Å; W243-F269 HydrophobicContact CE3-CG 4.2Å; W243-F269 HydrophobicContact CH2-CG 4.48Å; W243-F269 HydrophobicContact CZ3-CB 3.73Å; W243-F269 AromaticContact CZ3-CD1 3.92Å; W243-F269 HydrophobicContact CZ3-CD1 3.92Å; W243-F269 HydrophobicContact CZ3-CD2 4.3Å; W243-F269 AromaticContact CZ3-CG 3.71Å; W243-F269 HydrophobicContact CZ3-CG 3.71Å; T265-F269 VanDerWaalsContact O-CB 3.23Å; T265-F269 WeakPolarHBondContact O-CB 3.43Å; T265-F269 PolarHBondContact O-N 2.86Å; V267-F269 PolarHBondContact O-N 3.01Å; F269-S271 VanDerWaalsContact C-N 3.31Å; F269-S271 PolarHBondContact O-N 2.82Å; F269-H272 PolarHBondContact O-N 3.46Å; F269-L273 HydrophobicContact CE1-CD2 3.83Å; F269-L273 HydrophobicContact CZ-CD2 4.11Å; F269-L273 VanDerWaalsContact O-CB 3.29Å; F269-L273 WeakPolarHBondContact O-CB 3.45Å; F269-L273 PolarHBondContact O-N 3.45Å
270	A	97.8	Very high	93.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-39.1	177.8	0	0	0	0	0	112.2	L124 V126 M128 Q266 V267 D268 R274	L124-A270 HydrophobicContact CD2-CB 4.15Å; V126-A270 HydrophobicContact CG1-CB 4.14Å; M128-A270 HydrophobicContact CE-CB 4.16Å; Q266-A270 PolarHBondContact O-N 3.47Å; Q266-A270 VanDerWaalsContact O-N 3.12Å; V267-A270 PolarHBondContact O-N 3.06Å; D268-A270 VanDerWaalsContact C-N 3.33Å; D268-A270 PolarHBondContact O-N 3.26Å; A270-R274 WeakPolarHBondContact O-CG 3.44Å; A270-R274 PolarHBondContact O-N 3.29Å; A270-R274 VanDerWaalsContact O-N 3.12Å; A270-R274 PolarHBondContact O-NH1 3.32Å
271	S	96.8	Very high	91.7	Very high	54 Å²	54	39.1 Å²	39.1	38%	0.378	21%	0.214	S	C	.	.	H	α-helix	trans	-63.8	-51	176.1	-174	0	0	0	0	111.8	V267 D268 F269 L273 R274 N275	V267-S271 PolarHBondContact O-N 3.43Å; D268-S271 WeakPolarHBondContact O-CB 3.15Å; D268-S271 PolarHBondContact O-N 2.77Å; D268-S271 VanDerWaalsContact O-N 3.13Å; F269-S271 VanDerWaalsContact C-N 3.31Å; F269-S271 PolarHBondContact O-N 2.82Å; S271-L273 PolarHBondContact O-N 3.41Å; S271-R274 PolarHBondContact O-N 2.88Å; S271-N275 PolarHBondContact O-N 3.06Å; S271-N275 VanDerWaalsContact O-N 3.12Å; S271-N275 PolarHBondContact O-ND2 3.11Å
272	H	97.6	Very high	90.2	Very high	42 Å²	42	40.8 Å²	40.8	19%	0.194	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-42.5	-179.9	-60.8	137.8	0	0	0	112.2	W149 D268 F269 R274 N275 R276	W149-H272 HydrophobicContact CE3-CB 3.91Å; W149-H272 HydrophobicContact CZ3-CB 4.03Å; D268-H272 VanDerWaalsContact O-CG 3.23Å; D268-H272 PolarHBondContact O-N 3.23Å; D268-H272 PolarHBondContact O-ND1 2.84Å; F269-H272 PolarHBondContact O-N 3.46Å; H272-R274 PolarHBondContact O-N 2.92Å; H272-N275 PolarHBondContact O-N 3.48Å; H272-R276 WeakPolarHBondContact O-CB 3.42Å; H272-R276 PolarHBondContact O-N 3.33Å
273	L	97.8	Very high	88.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-43	177.1	-179	57.6	0	0	0	111.3	M128 L135 E138 L139 W149 F241 F269 S271 N275 R276 M277	M128-L273 HydrophobicContact CE-CB 4.31Å; M128-L273 HydrophobicContact CE-CD2 3.79Å; M128-L273 HydrophobicContact CE-CG 4.21Å; L135-L273 HydrophobicContact CD2-CD1 4.33Å; L135-L273 HydrophobicContact CD2-CD2 4.23Å; L135-L273 HydrophobicContact CD2-CG 4.33Å; E138-L273 HydrophobicContact CG-CD1 4.45Å; L139-L273 HydrophobicContact CD1-CD2 4.03Å; L139-L273 HydrophobicContact CD2-CD1 4.01Å; L139-L273 HydrophobicContact CD2-CD2 4.26Å; L139-L273 HydrophobicContact CG-CD1 4.44Å; W149-L273 HydrophobicContact CH2-CB 4.23Å; W149-L273 HydrophobicContact CH2-CD1 3.98Å; W149-L273 HydrophobicContact CZ2-CD1 4.33Å; W149-L273 HydrophobicContact CZ3-CB 4.01Å; W149-L273 HydrophobicContact CZ3-CD1 4.41Å; F241-L273 HydrophobicContact CE2-CD2 4.15Å; F241-L273 HydrophobicContact CZ-CD2 4.4Å; F269-L273 HydrophobicContact CE1-CD2 3.83Å; F269-L273 HydrophobicContact CZ-CD2 4.11Å; F269-L273 VanDerWaalsContact O-CB 3.29Å; F269-L273 WeakPolarHBondContact O-CB 3.45Å; F269-L273 PolarHBondContact O-N 3.45Å; S271-L273 PolarHBondContact O-N 3.41Å; L273-N275 VanDerWaalsContact C-N 3.35Å; L273-N275 PolarHBondContact O-N 2.87Å; L273-R276 PolarHBondContact O-N 2.87Å; L273-M277 HydrophobicContact CD1-CG 4.02Å; L273-M277 HydrophobicContact CD1-SD 4.26Å; L273-M277 HydrophobicContact CG-CG 4.44Å; L273-M277 VanDerWaalsContact O-CG 3.26Å; L273-M277 WeakPolarHBondContact O-CG 3.3Å; L273-M277 PolarHBondContact O-N 2.91Å
274	R	97.1	Very high	86.8	Confident	61 Å²	61	52.4 Å²	52.4	23%	0.23	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-45.7	175.1	-77.5	-174.5	-170.5	100.5	-2.5	112.7	N106 D108 V127 M128 A270 S271 H272 R276 M277 A278	N106-R274 PolarHBondContact ND2-NH1 2.8Å; D108-R274 IonicContact OD1-CZ 3.24Å; D108-R274 IonicContact OD1-NH1 3.68Å; D108-R274 IonicContact OD1-NH2 2.79Å; D108-R274 PolarHBondContact OD1-NH2 3.36Å; D108-R274 IonicContact OD2-CZ 3.44Å; D108-R274 IonicContact OD2-NH1 3.67Å; D108-R274 PolarHBondContact OD2-NH1 3.34Å; D108-R274 IonicContact OD2-NH2 2.81Å; D108-R274 PolarHBondContact OD2-NH2 3.44Å; V127-R274 PolarHBondContact O-NH2 3.45Å; M128-R274 HydrophobicContact CE-CG 4.3Å; M128-R274 HydrophobicContact SD-CG 3.55Å; M128-R274 VanDerWaalsContact SD-CG 3.55Å; A270-R274 WeakPolarHBondContact O-CG 3.44Å; A270-R274 PolarHBondContact O-N 3.29Å; A270-R274 VanDerWaalsContact O-N 3.12Å; A270-R274 PolarHBondContact O-NH1 3.32Å; S271-R274 PolarHBondContact O-N 2.88Å; H272-R274 PolarHBondContact O-N 2.92Å; R274-R276 VanDerWaalsContact C-N 3.34Å; R274-R276 PolarHBondContact O-N 3.05Å; R274-M277 PolarHBondContact O-N 3.22Å; R274-A278 WeakPolarHBondContact O-CB 3.02Å; R274-A278 PolarHBondContact O-N 3.17Å
275	N	96.6	Very high	85	Confident	92 Å²	92	52 Å²	52	49%	0.492	29%	0.286	S	S	.	.	H	α-helix	trans	-63.2	-42.5	179.2	-67.8	-22.3	0	0	0	111.4	S271 H272 L273 M277 A278 N279	S271-N275 PolarHBondContact O-N 3.06Å; S271-N275 VanDerWaalsContact O-N 3.12Å; S271-N275 PolarHBondContact O-ND2 3.11Å; H272-N275 PolarHBondContact O-N 3.48Å; L273-N275 VanDerWaalsContact C-N 3.35Å; L273-N275 PolarHBondContact O-N 2.87Å; N275-M277 PolarHBondContact O-N 2.99Å; N275-A278 PolarHBondContact O-N 2.77Å; N275-N279 PolarHBondContact O-N 3.4Å; N275-N279 PolarHBondContact O-ND2 2.96Å
276	R	96.5	Very high	82.7	Confident	52 Å²	52	53.4 Å²	53.4	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-57.6	-49.3	175.2	174.9	56.2	169.4	-172.1	-5.3	111.4	E138 W149 H272 L273 R274 N279 N280	E138-R276 VanDerWaalsContact CD-NE 3.3Å; E138-R276 HydrophobicContact CG-CG 4.14Å; E138-R276 IonicContact OE1-CZ 3.33Å; E138-R276 IonicContact OE1-NE 2.79Å; E138-R276 PolarHBondContact OE1-NE 2.95Å; E138-R276 IonicContact OE1-NH2 2.99Å; E138-R276 PolarHBondContact OE1-NH2 3.46Å; E138-R276 IonicContact OE2-CZ 3.86Å; E138-R276 IonicContact OE2-NE 3.37Å; E138-R276 PolarHBondContact OE2-NE 2.84Å; E138-R276 IonicContact OE2-NH2 3.49Å; E138-R276 PolarHBondContact OE2-NH2 2.97Å; W149-R276 HydrophobicContact CB-CB 4.15Å; W149-R276 HydrophobicContact CB-CG 4.2Å; W149-R276 HydrophobicContact CD2-CB 4.03Å; W149-R276 HydrophobicContact CD2-CG 3.99Å; W149-R276 HydrophobicContact CE3-CB 4.21Å; W149-R276 HydrophobicContact CG-CB 4.01Å; W149-R276 HydrophobicContact CG-CG 3.77Å; H272-R276 WeakPolarHBondContact O-CB 3.42Å; H272-R276 PolarHBondContact O-N 3.33Å; L273-R276 PolarHBondContact O-N 2.87Å; R274-R276 VanDerWaalsContact C-N 3.34Å; R274-R276 PolarHBondContact O-N 3.05Å; R276-N279 PolarHBondContact O-N 3.09Å; R276-N280 PolarHBondContact O-N 2.81Å
277	M	95.3	Very high	80.3	Confident	7 Å²	7	61.3 Å²	61.3	3%	0.034	34%	0.338	C	S	.	.	H	α-helix	trans	-69.7	-34.8	-177.6	-61.6	-50.3	-65.2	0	0	113.1	Q130 N134 L135 E138 L273 R274 N275 N279 N280 V281	Q130-M277 HydrophobicContact CG-CB 3.61Å; Q130-M277 HydrophobicContact CG-CE 4.1Å; Q130-M277 HydrophobicContact CG-CG 3.96Å; N134-M277 HydrophobicContact CB-CE 3.57Å; L135-M277 HydrophobicContact CD2-CE 4.29Å; L135-M277 HydrophobicContact CD2-CG 3.85Å; L135-M277 HydrophobicContact CD2-SD 4.21Å; E138-M277 HydrophobicContact CB-SD 3.89Å; E138-M277 HydrophobicContact CG-SD 3.95Å; L273-M277 HydrophobicContact CD1-CG 4.02Å; L273-M277 HydrophobicContact CD1-SD 4.26Å; L273-M277 HydrophobicContact CG-CG 4.44Å; L273-M277 VanDerWaalsContact O-CG 3.26Å; L273-M277 WeakPolarHBondContact O-CG 3.3Å; L273-M277 PolarHBondContact O-N 2.91Å; R274-M277 PolarHBondContact O-N 3.22Å; N275-M277 PolarHBondContact O-N 2.99Å; M277-N279 VanDerWaalsContact C-N 3.31Å; M277-N279 PolarHBondContact O-N 3.37Å; M277-N280 PolarHBondContact O-N 2.83Å; M277-V281 PolarHBondContact O-N 3.39Å
278	A	91.3	Very high	78	Confident	57 Å²	57	64.2 Å²	64.2	47%	0.471	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-36.6	175.4	0	0	0	0	0	112.5	R274 N275 S282	R274-A278 WeakPolarHBondContact O-CB 3.02Å; R274-A278 PolarHBondContact O-N 3.17Å; N275-A278 PolarHBondContact O-N 2.77Å; A278-S282 PolarHBondContact O-N 3.42Å
279	N	78.3	Confident	75.4	Confident	99 Å²	99	69.9 Å²	69.9	53%	0.529	41%	0.406	S	S	.	.	H	α-helix	trans	-73.6	-30.6	178.2	-69.5	-19.5	0	0	0	113.2	N275 R276 M277 S282 M283	N275-N279 PolarHBondContact O-N 3.4Å; N275-N279 PolarHBondContact O-ND2 2.96Å; R276-N279 PolarHBondContact O-N 3.09Å; M277-N279 VanDerWaalsContact C-N 3.31Å; M277-N279 PolarHBondContact O-N 3.37Å; N279-S282 PolarHBondContact O-N 2.93Å; N279-S282 PolarHBondContact O-OG 3.13Å; N279-M283 PolarHBondContact O-N 2.72Å
280	N	70.6	Confident	74.3	Confident	34 Å²	34	72.9 Å²	72.9	18%	0.182	42%	0.424	C	S	.	.	H	α-helix	trans	-67.7	-40.2	176.5	-72.8	-5.6	0	0	0	111.3	E138 R276 M277 S282 M283 E284	E138-N280 PolarHBondContact OE2-ND2 2.75Å; R276-N280 PolarHBondContact O-N 2.81Å; M277-N280 PolarHBondContact O-N 2.83Å; N280-S282 VanDerWaalsContact C-N 3.33Å; N280-S282 PolarHBondContact O-N 3.39Å; N280-M283 PolarHBondContact O-N 2.82Å; N280-E284 PolarHBondContact O-N 2.77Å; N280-E284 VanDerWaalsContact O-N 3.08Å
281	V	61.8	Low	73	Confident	62 Å²	62	76.7 Å²	76.7	38%	0.376	45%	0.446	S	S	.	.	H	α-helix	trans	-62.9	-38.5	177	176.7	0	0	0	0	111.8	M277 T285	M277-V281 PolarHBondContact O-N 3.39Å; V281-T285 WeakPolarHBondContact O-CB 3.4Å; V281-T285 PolarHBondContact O-N 2.84Å; V281-T285 VanDerWaalsContact O-N 3.11Å; V281-T285 PolarHBondContact O-OG1 2.6Å
282	S	59.1	Low	71.7	Confident	67 Å²	67	77.9 Å²	77.9	47%	0.469	45%	0.45	S	S	.	.	H	α-helix	trans	-68.8	-34.6	178.9	64.9	0	0	0	0	112.5	A278 N279 N280 A286	A278-S282 PolarHBondContact O-N 3.42Å; N279-S282 PolarHBondContact O-N 2.93Å; N279-S282 PolarHBondContact O-OG 3.13Å; N280-S282 VanDerWaalsContact C-N 3.33Å; N280-S282 PolarHBondContact O-N 3.39Å; S282-A286 WeakPolarHBondContact O-CB 3.31Å; S282-A286 PolarHBondContact O-N 3.3Å; S282-A286 VanDerWaalsContact O-N 3.1Å
283	M	57.3	Low	70.2	Confident	125 Å²	125	80.1 Å²	80.1	62%	0.616	47%	0.465	S	S	*	.	H	α-helix	trans	-70.8	-42.5	175.6	-73.2	-175.1	161.8	0	0	112.9	N279 N280 T285 A286 H287	N279-M283 PolarHBondContact O-N 2.72Å; N280-M283 PolarHBondContact O-N 2.82Å; M283-T285 VanDerWaalsContact C-N 3.34Å; M283-T285 PolarHBondContact O-N 2.89Å; M283-A286 PolarHBondContact O-N 3.43Å; M283-H287 PolarHBondContact O-CD2 3.18Å; M283-H287 PolarHBondContact O-N 3.21Å
284	E	56.5	Low	68.5	Low	135 Å²	135	85.1 Å²	85.1	63%	0.631	49%	0.494	S	S	*	.	H	α-helix	trans	-63.6	-40	176.4	-74.8	178.7	174.4	0	0	112.1	N280 A286 H287 A288	N280-E284 PolarHBondContact O-N 2.77Å; N280-E284 VanDerWaalsContact O-N 3.08Å; E284-A286 VanDerWaalsContact C-N 3.34Å; E284-A286 PolarHBondContact O-N 2.94Å; E284-H287 PolarHBondContact O-N 2.84Å; E284-A288 PolarHBondContact O-N 3.42Å
285	T	55.7	Low	66.5	Low	83 Å²	83	86.7 Å²	86.7	51%	0.509	51%	0.512	S	S	.	.	H	α-helix	trans	-66.8	-37.5	177	-47.2	0	0	0	0	111.4	V281 M283 A288	V281-T285 WeakPolarHBondContact O-CB 3.4Å; V281-T285 PolarHBondContact O-N 2.84Å; V281-T285 VanDerWaalsContact O-N 3.11Å; V281-T285 PolarHBondContact O-OG1 2.6Å; M283-T285 VanDerWaalsContact C-N 3.34Å; M283-T285 PolarHBondContact O-N 2.89Å; T285-A288 PolarHBondContact O-N 2.55Å
286	A	46	Very low	64.4	Low	68 Å²	68	86.3 Å²	86.3	56%	0.562	51%	0.513	S	S	*	.	H	α-helix	trans	-70.2	-28.2	177.6	0	0	0	0	0	113.6	S282 M283 E284	S282-A286 WeakPolarHBondContact O-CB 3.31Å; S282-A286 PolarHBondContact O-N 3.3Å; S282-A286 VanDerWaalsContact O-N 3.1Å; M283-A286 PolarHBondContact O-N 3.43Å; E284-A286 VanDerWaalsContact C-N 3.34Å; E284-A286 PolarHBondContact O-N 2.94Å
287	H	46.6	Very low	61.9	Low	166 Å²	166	88.9 Å²	88.9	77%	0.769	54%	0.538	S	S	*	.	H	α-helix	trans	-80.7	-15.9	174.5	-77.7	-60.2	0	0	0	113.8	M283 E284	M283-H287 PolarHBondContact O-CD2 3.18Å; M283-H287 PolarHBondContact O-N 3.21Å; E284-H287 PolarHBondContact O-N 2.84Å
288	A	47.6	Very low	59.1	Low	88 Å²	88	95.8 Å²	95.8	73%	0.727	58%	0.58	S	S	*	*			trans	-95.4	-3.9	179.8	0	0	0	0	0	114.3	E284 T285	E284-A288 PolarHBondContact O-N 3.42Å; T285-A288 PolarHBondContact O-N 2.55Å
289	C	39	Very low	56.2	Low	165 Å²	165	99.3 Å²	99.3	100%	1.115	59%	0.589	S	S	*	*			trans	-101.7	0	174.4	-71.5	0	0	0	0	111.4

Retrieved 289 of 289 residues in 49 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).