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Cellular tumor antigen p53

Multifunctional transcription factor that induces cell cycle arrest, DNA repair or apoptosis upon binding to its target DNA sequence. Acts as a tumor suppressor in many tumor types; induces growth arrest or apoptosis depending on the physiological circumstances and cell type. Negatively regulates cell division by controlling expression of a set of genes required for this process. One of the activated genes is an inhibitor of cyclin-dependent kinases. Apoptosis induction seems to be mediated either by stimulation of BAX and FAS antigen expression, or by repression of Bcl-2 expression (By similarity).

AlphaFold DB , UniProt , Accession Q92143, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene tp53, Length 342 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	41.3	Very low	238 Å²	238	144.3 Å²	144.3	100%	1.172	78%	0.784	S	S	*	*				0	75.3	0	-172.1	-179.4	-76.6	0	0	105.2
2	E	36.9	Very low	42.2	Very low	194 Å²	194	147.8 Å²	147.8	91%	0.907	79%	0.791	S	S	*	*			trans	-114.3	102.1	174	-80.2	177.7	153.5	0	0	104.4	A4	E2-A4 PolarHBondContact O-N 2.83Å
3	E	37.5	Very low	43.1	Very low	189 Å²	189	146.4 Å²	146.4	88%	0.883	78%	0.783	S	S	*	*			trans	-64.8	110.7	170.5	-74.3	-176.1	155.4	0	0	106.9	D5	E3-D5 PolarHBondContact O-N 2.79Å
4	A	40.8	Very low	44.5	Very low	89 Å²	89	139.9 Å²	139.9	74%	0.736	75%	0.752	S	S	*	*			trans	-66.8	104.4	170.6	0	0	0	0	0	107.7	E2 L6	E2-A4 PolarHBondContact O-N 2.83Å; A4-L6 VanDerWaalsContact C-N 3.29Å; A4-L6 PolarHBondContact O-N 3.37Å
5	D	39.8	Very low	45.6	Very low	142 Å²	142	140.4 Å²	140.4	76%	0.759	75%	0.745	S	S	*	*			trans	-63.5	88.7	175.1	-128.7	-16.3	0	0	0	108.8	E3 T7	E3-D5 PolarHBondContact O-N 2.79Å; D5-T7 PolarHBondContact O-N 3.37Å
6	L	43.1	Very low	46.7	Very low	160 Å²	160	139.6 Å²	139.6	84%	0.838	74%	0.735	S	S	*	*			trans	-75	64.7	170.4	-80.3	164.6	0	0	0	109	A4 L8	A4-L6 VanDerWaalsContact C-N 3.29Å; A4-L6 PolarHBondContact O-N 3.37Å; L6-L8 PolarHBondContact O-N 3.49Å
7	T	41.2	Very low	47.7	Very low	107 Å²	107	137.5 Å²	137.5	66%	0.656	72%	0.724	S	S	*	*			trans	-80.9	98.9	165.5	51.3	0	0	0	0	107.6	D5 P9	D5-T7 PolarHBondContact O-N 3.37Å; T7-P9 WeakPolarHBondContact O-CD 3.31Å
8	L	45.1	Very low	48.8	Very low	143 Å²	143	136.1 Å²	136.1	75%	0.749	72%	0.717	S	S	*	*			trans	-74.2	108.1	166.2	-77.2	159.8	0	0	0	107.6	L6 L10	L6-L8 PolarHBondContact O-N 3.49Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 3.21Å
9	P	43.7	Very low	49.8	Very low	89 Å²	89	138.3 Å²	138.3	58%	0.578	72%	0.715	S	S	*	*			trans	-77.3	93.2	174.8	31.7	-26.1	0	0	0	107	T7 S11 T14	T7-P9 WeakPolarHBondContact O-CD 3.31Å; P9-S11 PolarHBondContact O-N 3.31Å; P9-T14 PolarHBondContact O-OG1 3.42Å
10	L	43.5	Very low	50.7	Low	176 Å²	176	135.8 Å²	135.8	92%	0.921	70%	0.702	S	S	*	*			trans	-71.6	68.8	165.8	-83.5	147.8	0	0	0	108.7	L8	L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 3.21Å
11	S	47.7	Very low	51.1	Low	60 Å²	60	135.4 Å²	135.4	42%	0.42	70%	0.702	S	S	.	*			trans	-105.3	147.1	162.1	70.8	0	0	0	0	109.6	P9 D13 T14	P9-S11 PolarHBondContact O-N 3.31Å; S11-D13 PolarHBondContact O-N 3.03Å; S11-T14 PolarHBondContact O-N 3.22Å; S11-T14 VanDerWaalsContact O-N 3.08Å; S11-T14 PolarHBondContact O-OG1 3.37Å; S11-T14 PolarHBondContact OG-OG1 3.02Å
12	Q	51.6	Low	51.9	Low	187 Å²	187	128.1 Å²	128.1	87%	0.874	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	-24.3	-173.2	-112.5	175.6	-36.1	0	0	113.9
13	D	53.6	Low	52.3	Low	129 Å²	129	127.1 Å²	127.1	69%	0.69	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-28.6	-178.4	-56.7	-46.3	0	0	0	112.3	S11 F15 H16	S11-D13 PolarHBondContact O-N 3.03Å; D13-F15 VanDerWaalsContact C-N 3.32Å; D13-F15 PolarHBondContact O-N 3.13Å; D13-H16 PolarHBondContact O-N 2.9Å
14	T	62.8	Low	52.3	Low	56 Å²	56	125.4 Å²	125.4	34%	0.344	66%	0.659	S	S	.	*	H	α-helix	trans	-73.1	-24.2	-176.5	-29.1	0	0	0	0	112.8	P9 S11 H16 D17 L18	P9-T14 PolarHBondContact O-OG1 3.42Å; S11-T14 PolarHBondContact O-N 3.22Å; S11-T14 VanDerWaalsContact O-N 3.08Å; S11-T14 PolarHBondContact O-OG1 3.37Å; S11-T14 PolarHBondContact OG-OG1 3.02Å; T14-H16 VanDerWaalsContact C-N 3.31Å; T14-H16 PolarHBondContact O-N 3.44Å; T14-D17 PolarHBondContact O-N 3.5Å; T14-L18 PolarHBondContact O-N 3.47Å; T14-L18 VanDerWaalsContact O-N 3.09Å
15	F	61.1	Low	52.1	Low	147 Å²	147	126.5 Å²	126.5	65%	0.645	66%	0.662	S	S	*	*	H	α-helix	trans	-68.8	-32	-179.6	-169.4	-98.6	0	0	0	112.2	D13 L18 W19	D13-F15 VanDerWaalsContact C-N 3.32Å; D13-F15 PolarHBondContact O-N 3.13Å; F15-L18 PolarHBondContact O-N 3.32Å; F15-W19 PolarHBondContact O-N 2.84Å; F15-W19 VanDerWaalsContact O-N 3.08Å
16	H	64	Low	51.7	Low	128 Å²	128	125.9 Å²	125.9	59%	0.593	66%	0.663	S	S	*	*	H	α-helix	trans	-71.1	-39.7	179.2	-148.4	47.3	0	0	0	111.6	D13 T14 W19 N20	D13-H16 PolarHBondContact O-N 2.9Å; T14-H16 VanDerWaalsContact C-N 3.31Å; T14-H16 PolarHBondContact O-N 3.44Å; H16-W19 PolarHBondContact O-N 3.41Å; H16-N20 PolarHBondContact O-N 3.06Å; H16-N20 VanDerWaalsContact O-N 3.08Å; H16-N20 PolarHBondContact O-ND2 2.72Å
17	D	62.3	Low	51.3	Low	103 Å²	103	127 Å²	127	55%	0.551	66%	0.664	S	S	*	*	H	α-helix	trans	-65.3	-39.1	173.7	-72.8	-20.6	0	0	0	112	T14 N20 N21	T14-D17 PolarHBondContact O-N 3.5Å; D17-N20 PolarHBondContact O-N 3.41Å; D17-N21 WeakPolarHBondContact O-CB 3.47Å; D17-N21 PolarHBondContact O-N 2.9Å; D17-N21 PolarHBondContact O-ND2 3.17Å
18	L	68.2	Low	50.9	Low	113 Å²	113	129.9 Å²	129.9	59%	0.592	68%	0.675	S	S	*	*	H	α-helix	trans	-63.1	-43.8	177.4	-138.7	160	0	0	0	110.7	T14 F15 N21 V22	T14-L18 PolarHBondContact O-N 3.47Å; T14-L18 VanDerWaalsContact O-N 3.09Å; F15-L18 PolarHBondContact O-N 3.32Å; L18-N21 PolarHBondContact O-N 3.46Å; L18-V22 WeakPolarHBondContact O-CG2 3.49Å; L18-V22 PolarHBondContact O-N 3.34Å
19	W	68.6	Low	50.3	Low	177 Å²	177	132 Å²	132	67%	0.67	68%	0.681	S	S	*	*	H	α-helix	trans	-66.1	-38.7	178.4	-163.9	-97.4	0	0	0	113	F15 H16 N21 V22	F15-W19 PolarHBondContact O-N 2.84Å; F15-W19 VanDerWaalsContact O-N 3.08Å; H16-W19 PolarHBondContact O-N 3.41Å; W19-N21 VanDerWaalsContact C-N 3.27Å; W19-N21 PolarHBondContact O-N 3.46Å; W19-V22 PolarHBondContact O-N 3.27Å
20	N	66.6	Low	49.7	Very low	88 Å²	88	133 Å²	133	47%	0.471	69%	0.691	S	S	.	*	H	α-helix	trans	-70.2	-24.7	176.6	-70.8	-29.8	0	0	0	112.9	H16 D17	H16-N20 PolarHBondContact O-N 3.06Å; H16-N20 VanDerWaalsContact O-N 3.08Å; H16-N20 PolarHBondContact O-ND2 2.72Å; D17-N20 PolarHBondContact O-N 3.41Å
21	N	59.2	Low	49.3	Very low	129 Å²	129	132.5 Å²	132.5	69%	0.69	69%	0.688	S	S	*	*	H	α-helix	trans	-88.2	-5.1	176.4	-73	-15.8	0	0	0	113.7	D17 L18 W19 F23	D17-N21 WeakPolarHBondContact O-CB 3.47Å; D17-N21 PolarHBondContact O-N 2.9Å; D17-N21 PolarHBondContact O-ND2 3.17Å; L18-N21 PolarHBondContact O-N 3.46Å; W19-N21 VanDerWaalsContact C-N 3.27Å; W19-N21 PolarHBondContact O-N 3.46Å; N21-F23 PolarHBondContact O-N 2.92Å
22	V	51.9	Low	48.6	Very low	84 Å²	84	134.7 Å²	134.7	51%	0.509	70%	0.701	S	S	.	*			trans	-75.7	72.2	165.8	-178.3	0	0	0	0	107.9	L18 W19 L24	L18-V22 WeakPolarHBondContact O-CG2 3.49Å; L18-V22 PolarHBondContact O-N 3.34Å; W19-V22 PolarHBondContact O-N 3.27Å; V22-L24 PolarHBondContact O-N 3.24Å
23	F	45.1	Very low	47.8	Very low	173 Å²	173	131.4 Å²	131.4	76%	0.759	70%	0.696	S	S	*	*			trans	-74.3	104.5	166.5	-94.6	-89.8	0	0	0	108.2	N21 S25	N21-F23 PolarHBondContact O-N 2.92Å; F23-S25 PolarHBondContact O-N 3.02Å
24	L	39.1	Very low	47.1	Very low	153 Å²	153	131.3 Å²	131.3	80%	0.801	70%	0.702	S	S	*	*			trans	-66.6	79.9	161.2	-71.5	161.6	0	0	0	107.6	V22 T26	V22-L24 PolarHBondContact O-N 3.24Å; L24-T26 VanDerWaalsContact C-N 3.32Å; L24-T26 PolarHBondContact O-N 3.31Å
25	S	35.9	Very low	45.8	Very low	113 Å²	113	137.9 Å²	137.9	79%	0.79	73%	0.729	S	S	*	*			trans	-66.5	94.3	175.3	40.8	0	0	0	0	109.3	F23	F23-S25 PolarHBondContact O-N 3.02Å
26	T	32.4	Very low	44.5	Very low	128 Å²	128	134.2 Å²	134.2	79%	0.785	73%	0.732	S	S	*	*			trans	-101.6	59	168.6	-45.3	0	0	0	0	108.1	L24	L24-T26 VanDerWaalsContact C-N 3.32Å; L24-T26 PolarHBondContact O-N 3.31Å
27	E	32.9	Very low	43.2	Very low	183 Å²	183	135.7 Å²	135.7	86%	0.855	74%	0.744	S	S	*	*			trans	-137.7	111.1	171.1	-69.5	-167.8	163.3	0	0	110.4	E29	E27-E29 PolarHBondContact O-N 3.32Å
28	N	32.6	Very low	41.9	Very low	168 Å²	168	137.7 Å²	137.7	90%	0.898	75%	0.754	S	S	*	*			trans	-44.8	109.4	160.8	-80.5	-18.9	0	0	0	110.5
29	E	33.8	Very low	40.2	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	76%	0.764	S	S	*	*			trans	-125.4	107.1	149.5	-83	-158.6	123.3	0	0	109.8	E27	E27-E29 PolarHBondContact O-N 3.32Å
30	S	31.5	Very low	38.8	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	77%	0.772	S	S	*	*			trans	-54.5	126.8	164.1	49.7	0	0	0	0	111.7
31	L	34.2	Very low	37.4	Very low	165 Å²	165	140.6 Å²	140.6	86%	0.864	79%	0.786	S	S	*	*			trans	-154.1	146.2	149.3	-96.1	147.2	0	0	0	109.7
32	P	33.1	Very low	36.3	Very low	106 Å²	106	143 Å²	143	69%	0.688	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-96.1	170.5	-150.6	39.7	-37.5	0	0	0	114.5
33	P	36.1	Very low	35.5	Very low	118 Å²	118	146.6 Å²	146.6	77%	0.766	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-94	150.2	-157.9	35.4	-32.1	0	0	0	113.8
34	P	38.9	Very low	35	Very low	127 Å²	127	146.4 Å²	146.4	83%	0.825	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83.7	122.2	160.5	29.6	-22.5	0	0	0	110.4
35	E	34.5	Very low	34.9	Very low	194 Å²	194	150.4 Å²	150.4	91%	0.907	82%	0.816	S	S	*	*			trans	-26.6	124.3	161.7	-63.5	169	165.1	0	0	115.9
36	G	33.5	Very low	35	Very low	69 Å²	69	154.1 Å²	154.1	71%	0.711	82%	0.821	S	S	*	*			trans	74.9	95.9	130.3	0	0	0	0	0	118.3
37	L	35.9	Very low	35.3	Very low	159 Å²	159	154.7 Å²	154.7	83%	0.832	82%	0.819	S	S	*	*				-158.3	124.4	124.1	-133.4	89.5	0	0	0	111.2
38	L	35.8	Very low	35.6	Very low	145 Å²	145	150.8 Å²	150.8	76%	0.759	81%	0.809	S	S	*	*			trans	74.3	86.1	159.3	-62.2	168.7	0	0	0	118.1	Q40	L38-Q40 PolarHBondContact O-N 3.4Å
39	S	32.4	Very low	36	Very low	116 Å²	116	151.5 Å²	151.5	81%	0.811	81%	0.808	S	S	*	*			trans	-49.9	107.3	138.8	56.6	0	0	0	0	111.3
40	Q	39	Very low	36.2	Very low	177 Å²	177	148.2 Å²	148.2	83%	0.827	80%	0.8	S	S	*	*			trans	-142.9	101.8	150.8	-107	179.4	3.4	0	0	108.1	L38 M42	L38-Q40 PolarHBondContact O-N 3.4Å; Q40-M42 PolarHBondContact O-N 3.09Å
41	N	36.6	Very low	36.7	Very low	146 Å²	146	151.1 Å²	151.1	78%	0.781	80%	0.804	S	S	*	*			trans	-12.4	114.5	164.3	-60.1	-14.1	0	0	0	115.6
42	M	36.1	Very low	37.1	Very low	180 Å²	180	151.4 Å²	151.4	89%	0.887	80%	0.8	S	S	*	*			trans	-138.3	65.4	154.9	-76.6	-67.8	164.5	0	0	108.4	Q40 F44	Q40-M42 PolarHBondContact O-N 3.09Å; M42-F44 VanDerWaalsContact C-N 3.33Å; M42-F44 PolarHBondContact O-N 2.86Å
43	D	35.7	Very low	37.5	Very low	159 Å²	159	154.8 Å²	154.8	85%	0.85	81%	0.807	S	S	*	*			trans	-81.1	81.7	159.8	-70.9	-39.5	0	0	0	107.6
44	F	34.4	Very low	37.8	Very low	170 Å²	170	154.7 Å²	154.7	75%	0.746	81%	0.805	S	S	*	*			trans	-159.9	52.8	170.4	-162.3	-107.3	0	0	0	115.1	M42	M42-F44 VanDerWaalsContact C-N 3.33Å; M42-F44 PolarHBondContact O-N 2.86Å
45	W	37.4	Very low	38	Very low	237 Å²	237	157.2 Å²	157.2	90%	0.898	80%	0.802	S	S	*	*			trans	-148.8	75.9	154	-63.5	84	0	0	0	108.9	D47	W45-D47 PolarHBondContact O-N 3.16Å
46	E	38.3	Very low	38.3	Very low	191 Å²	191	155 Å²	155	89%	0.893	80%	0.797	S	S	*	*			trans	-70.3	106.6	146.6	-89.4	179.4	143	0	0	105.4	P48	E46-P48 WeakPolarHBondContact O-CD 3.41Å; E46-P48 VanDerWaalsContact O-N 3.13Å
47	D	37.6	Very low	38.9	Very low	140 Å²	140	157 Å²	157	75%	0.749	80%	0.795	S	S	*	*			trans	-57.6	107.1	169.7	-102.1	-36.8	0	0	0	108.5	W45 E49	W45-D47 PolarHBondContact O-N 3.16Å; D47-E49 PolarHBondContact O-N 3.18Å
48	P	40.9	Very low	39.4	Very low	100 Å²	100	154.5 Å²	154.5	65%	0.649	79%	0.788	S	S	*	*			trans	-78.4	122.3	163	25.1	-10.5	0	0	0	105.7	E46 T50	E46-P48 WeakPolarHBondContact O-CD 3.41Å; E46-P48 VanDerWaalsContact O-N 3.13Å; P48-T50 PolarHBondContact O-N 2.73Å
49	E	40.1	Very low	40.3	Very low	184 Å²	184	152.6 Å²	152.6	86%	0.86	78%	0.783	S	S	*	*			trans	-24.2	83.6	161.4	-61.5	175.4	156.9	0	0	112.2	D47 M51	D47-E49 PolarHBondContact O-N 3.18Å; E49-M51 PolarHBondContact O-N 2.95Å
50	T	39.1	Very low	41.6	Very low	117 Å²	117	149.4 Å²	149.4	72%	0.718	76%	0.764	S	S	*	*			trans	-77.4	85.3	160	35.5	0	0	0	0	102.6	P48 Q52	P48-T50 PolarHBondContact O-N 2.73Å; T50-Q52 PolarHBondContact O-N 3.28Å
51	M	41.4	Very low	43.1	Very low	174 Å²	174	145.6 Å²	145.6	86%	0.857	75%	0.754	S	S	*	*			trans	-45.7	98	152.8	-66.1	-172.5	100.8	0	0	104.6	E49 E53	E49-M51 PolarHBondContact O-N 2.95Å; M51-E53 PolarHBondContact O-N 3.2Å
52	Q	42.8	Very low	44.8	Very low	170 Å²	170	143.6 Å²	143.6	79%	0.794	75%	0.748	S	S	*	*			trans	-58.8	96.9	165	-77.9	-179.5	-13.8	0	0	102.8	T50 T54	T50-Q52 PolarHBondContact O-N 3.28Å; Q52-T54 PolarHBondContact O-N 3.17Å
53	E	41.3	Very low	46.8	Very low	177 Å²	177	138.8 Å²	138.8	83%	0.827	73%	0.728	S	S	*	*			trans	-56.7	90.1	161	-169.7	172.8	-161.3	0	0	103.2	M51 K55	M51-E53 PolarHBondContact O-N 3.2Å; E53-K55 PolarHBondContact O-N 3.49Å
54	T	41.3	Very low	48.9	Very low	117 Å²	117	132.5 Å²	132.5	72%	0.718	70%	0.696	S	S	*	*			trans	-60.8	87.6	166.1	49.3	0	0	0	0	103	Q52 N56	Q52-T54 PolarHBondContact O-N 3.17Å; T54-N56 VanDerWaalsContact C-N 3.27Å; T54-N56 PolarHBondContact O-N 3.41Å
55	K	43.6	Very low	51.4	Low	179 Å²	179	126.7 Å²	126.7	78%	0.778	68%	0.679	S	S	*	*			trans	-47	106.7	170.6	-126.7	178.9	-178.1	177.5	0	103.2	E53 V57	E53-K55 PolarHBondContact O-N 3.49Å; K55-V57 PolarHBondContact O-N 3.43Å
56	N	42.1	Very low	53.8	Low	147 Å²	147	119 Å²	119	79%	0.786	66%	0.655	S	S	*	*			trans	-65.8	87.9	-175.9	-140	-22.2	0	0	0	103.8	T54 P58	T54-N56 VanDerWaalsContact C-N 3.27Å; T54-N56 PolarHBondContact O-N 3.41Å; N56-P58 WeakPolarHBondContact O-CD 3.26Å
57	V	45.1	Very low	56.3	Low	111 Å²	111	113.5 Å²	113.5	67%	0.673	64%	0.637	S	S	*	*			trans	-59.4	117.3	172.1	-180	0	0	0	0	103	K55 T59	K55-V57 PolarHBondContact O-N 3.43Å; V57-T59 PolarHBondContact O-N 2.68Å; V57-T59 PolarHBondContact O-OG1 3.21Å
58	P	46.2	Very low	59	Low	107 Å²	107	111 Å²	111	70%	0.695	62%	0.624	S	S	*	*			trans	-53.9	108.3	179.9	-22.2	32	0	0	0	106.5	N56 A60	N56-P58 WeakPolarHBondContact O-CD 3.26Å; P58-A60 PolarHBondContact O-N 2.79Å
59	T	54	Low	61.6	Low	106 Å²	106	111.6 Å²	111.6	65%	0.65	61%	0.614	S	S	*	*			trans	-71.6	103.2	-173.2	-53.1	0	0	0	0	105.1	V57	V57-T59 PolarHBondContact O-N 2.68Å; V57-T59 PolarHBondContact O-OG1 3.21Å
60	A	59.7	Low	64.2	Low	49 Å²	49	104.6 Å²	104.6	41%	0.405	59%	0.588	S	S	.	*			trans	-52.3	133.6	176.2	0	0	0	0	0	108.1	P58 T62	P58-A60 PolarHBondContact O-N 2.79Å; A60-T62 PolarHBondContact O-N 2.88Å
61	P	70.5	Confident	66.7	Low	96 Å²	96	100.1 Å²	100.1	62%	0.623	57%	0.565	S	S	*	*			trans	-59.6	136.5	-178.6	23.9	-32.8	0	0	0	109.6	V63	P61-V63 PolarHBondContact O-N 2.71Å
62	T	73.3	Confident	69.1	Low	105 Å²	105	99.7 Å²	99.7	64%	0.644	56%	0.561	S	S	*	*	S	Bend	trans	-52.1	-31.7	179.9	-49.1	0	0	0	0	112.6	A60 R176	A60-T62 PolarHBondContact O-N 2.88Å; T62-R176 PolarHBondContact O-NH2 3.28Å
63	V	78	Confident	71.5	Confident	78 Å²	78	92.5 Å²	92.5	47%	0.473	53%	0.527	S	S	.	.	S	Bend	trans	-109.8	113	176.6	-177.7	0	0	0	0	109.5	P61 V135	P61-V63 PolarHBondContact O-N 2.71Å; V63-V135 HydrophobicContact CG1-CG1 4.27Å; V63-V135 HydrophobicContact CG1-CG2 3.78Å; V63-V135 HydrophobicContact CG2-CG1 4.48Å
64	P	80.9	Confident	74.1	Confident	28 Å²	28	84.8 Å²	84.8	18%	0.182	50%	0.495	C	S	.	.			trans	-69.2	136.9	176	27.5	-32.8	0	0	0	110.1	I66 V128 I217	P64-I66 PolarHBondContact O-N 2.79Å; P64-V128 HydrophobicContact CG-CG1 3.58Å; P64-I217 HydrophobicContact CB-CD1 4.03Å; P64-I217 HydrophobicContact CG-CD1 4.34Å
65	A	85.9	Confident	76.7	Confident	48 Å²	48	79.2 Å²	79.2	40%	0.397	46%	0.461	S	S	.	.			trans	-75.4	118.2	177.4	0	0	0	0	0	110.7	S67 R230	A65-S67 VanDerWaalsContact C-N 3.34Å; A65-R230 WeakPolarHBondContact O-CD 3.18Å; A65-R230 PolarHBondContact O-NH1 3.11Å
66	I	88.6	Confident	79.2	Confident	76 Å²	76	73.9 Å²	73.9	39%	0.39	44%	0.441	S	S	.	.			trans	-89.2	6.6	-176.4	61.1	173.1	0	0	0	114.1	P64 V128 L215 I217 C232	P64-I66 PolarHBondContact O-N 2.79Å; I66-V128 HydrophobicContact CG2-CG2 3.94Å; I66-L215 HydrophobicContact CB-CD1 4.07Å; I66-L215 HydrophobicContact CD1-CD1 4.05Å; I66-L215 HydrophobicContact CG2-CD1 4.09Å; I66-I217 HydrophobicContact CG2-CD1 4.13Å; I66-C232 VanDerWaalsContact C-SG 3.58Å; I66-C232 PolarHBondContact O-SG 3.11Å
67	S	90.7	Very high	81.8	Confident	74 Å²	74	67.9 Å²	67.9	52%	0.517	41%	0.408	S	S	.	.	S	Bend	trans	-76.9	140.2	176.6	54.6	0	0	0	0	111.1	A65	A65-S67 VanDerWaalsContact C-N 3.34Å
68	N	94.1	Very high	84.1	Confident	89 Å²	89	66.4 Å²	66.4	48%	0.476	39%	0.394	S	S	.	.			trans	-67.7	133.8	171.9	-69.3	-37.1	0	0	0	110.5	R231 C232	N68-R231 WeakPolarHBondContact OD1-CA 3.26Å; N68-C232 PolarHBondContact OD1-N 3.37Å
69	Y	95.1	Very high	86.5	Confident	112 Å²	112	62.9 Å²	62.9	44%	0.439	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-138.8	105.9	178.8	174.1	-115.6	0	0	0	108.2	G71 G229 R230	Y69-G71 VanDerWaalsContact C-N 3.27Å; Y69-G71 PolarHBondContact O-N 2.82Å; Y69-G229 CarbonylContact O-C 3.55Å; Y69-G229 WeakPolarHBondContact O-CA 3.41Å; Y69-R230 CarbonylContact C-O 3.52Å; Y69-R230 PolarHBondContact N-O 3.44Å; Y69-R230 PolarHBondContact O-N 2.84Å; Y69-R230 VanDerWaalsContact O-O 3.1Å
70	A	94.5	Very high	88.1	Confident	36 Å²	36	62 Å²	62	30%	0.298	36%	0.359	S	S	.	.			trans	-71.6	-25.9	-179	0	0	0	0	0	112.4	G74 F75	A70-G74 CarbonylContact O-C 3.57Å; A70-G74 PolarHBondContact O-N 3.31Å; A70-F75 WeakPolarHBondContact O-CB 3.46Å; A70-F75 PolarHBondContact O-N 3.2Å
71	G	92.5	Very high	89.5	Confident	23 Å²	23	64.4 Å²	64.4	24%	0.237	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	-171.3	-173.1	0	0	0	0	0	113.6	Y69 H73 G74 L228	Y69-G71 VanDerWaalsContact C-N 3.27Å; Y69-G71 PolarHBondContact O-N 2.82Å; G71-H73 VanDerWaalsContact C-N 3.32Å; G71-G74 PolarHBondContact O-N 3.37Å; G71-L228 WeakPolarHBondContact CA-O 3.5Å
72	E	92.2	Very high	90.3	Very high	166 Å²	166	63.1 Å²	63.1	78%	0.776	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-37.7	-179.8	-61.8	-179.8	175.1	0	0	111.1	G74	E72-G74 PolarHBondContact O-N 3.13Å
73	H	93.2	Very high	91	Very high	19 Å²	19	59.4 Å²	59.4	9%	0.088	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-4.9	179.5	-59.6	-76.3	0	0	0	114.6	G71 F75 V113 K114 E115 E116	G71-H73 VanDerWaalsContact C-N 3.32Å; H73-F75 PolarHBondContact O-N 3.06Å; H73-V113 HydrophobicContact CB-CG1 3.64Å; H73-V113 VanDerWaalsContact O-CG1 3.29Å; H73-V113 WeakPolarHBondContact O-CG1 3.29Å; H73-K114 PolarHBondContact O-N 3.18Å; H73-E115 WeakPolarHBondContact CB-O 3.48Å; H73-E115 PolarHBondContact ND1-O 2.84Å; H73-E115 PolarHBondContact O-N 2.73Å; H73-E116 PolarHBondContact CE1-O 3.38Å; H73-E116 PolarHBondContact ND1-O 3.33Å
74	G	94.2	Very high	91.5	Very high	14 Å²	14	58.8 Å²	58.8	14%	0.144	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	34.6	178.2	0	0	0	0	0	114.2	A70 G71 E72 N76	A70-G74 CarbonylContact O-C 3.57Å; A70-G74 PolarHBondContact O-N 3.31Å; G71-G74 PolarHBondContact O-N 3.37Å; E72-G74 PolarHBondContact O-N 3.13Å; G74-N76 PolarHBondContact O-N 3.28Å
75	F	96.1	Very high	92	Very high	0 Å²	0	60 Å²	60	0%	0	35%	0.349	C	S	.	.			trans	-53.7	121.2	-176.5	-176.6	-108.6	0	0	0	112.6	A70 H73 L77 V111 V113 L218 L220 R231	A70-F75 WeakPolarHBondContact O-CB 3.46Å; A70-F75 PolarHBondContact O-N 3.2Å; H73-F75 PolarHBondContact O-N 3.06Å; F75-L77 HydrophobicContact CE1-CD2 4.43Å; F75-L77 HydrophobicContact CZ-CD2 4.07Å; F75-V111 HydrophobicContact CD2-CG1 4.32Å; F75-V111 HydrophobicContact CE2-CG1 3.67Å; F75-V113 HydrophobicContact CD2-CG2 4.35Å; F75-L218 HydrophobicContact CE1-CB 4.45Å; F75-L218 WeakPolarHBondContact CE1-O 3.33Å; F75-L218 HydrophobicContact CZ-CB 4.28Å; F75-L220 HydrophobicContact CD2-CB 3.83Å; F75-L220 HydrophobicContact CD2-CD2 4.09Å; F75-L220 HydrophobicContact CE2-CB 3.91Å; F75-L220 HydrophobicContact CG-CB 4.28Å; F75-L220 HydrophobicContact CZ-CB 4.43Å; F75-R231 HydrophobicContact CD1-CB 4.35Å; F75-R231 HydrophobicContact CD1-CG 3.81Å; F75-R231 HydrophobicContact CE1-CB 4Å; F75-R231 HydrophobicContact CE1-CG 3.93Å; F75-R231 PolarHBondContact O-NE 2.92Å; F75-R231 VanDerWaalsContact O-NE 3.13Å
76	N	96.2	Very high	92.1	Very high	68 Å²	68	67.3 Å²	67.3	36%	0.364	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	163.1	-179.3	-153.5	9.7	0	0	0	111.6	G74 L112 R231	G74-N76 PolarHBondContact O-N 3.28Å; N76-L112 HydrophobicContact CB-CB 4.27Å; N76-L112 PolarHBondContact N-O 3.29Å; N76-L112 PolarHBondContact O-N 3.26Å; N76-R231 PolarHBondContact OD1-NE 2.74Å; N76-R231 PolarHBondContact OD1-NH2 3.48Å
77	L	96.2	Very high	92.2	Very high	20 Å²	20	68.6 Å²	68.6	11%	0.105	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.7	179.3	-58	175.7	0	0	0	110.2	F75 F79 I109 G110 V111 L218 R231 F233	F75-L77 HydrophobicContact CE1-CD2 4.43Å; F75-L77 HydrophobicContact CZ-CD2 4.07Å; L77-F79 HydrophobicContact CB-CE2 3.81Å; L77-F79 HydrophobicContact CB-CZ 4Å; L77-F79 HydrophobicContact CD1-CE2 4.43Å; L77-F79 HydrophobicContact CD1-CZ 3.94Å; L77-I109 HydrophobicContact CB-CG2 4.41Å; L77-I109 HydrophobicContact CD2-CG2 4.11Å; L77-G110 CarbonylContact C-O 3.6Å; L77-G110 VanDerWaalsContact CA-O 3.28Å; L77-G110 WeakPolarHBondContact CA-O 3.39Å; L77-V111 HydrophobicContact CD2-CG2 4.25Å; L77-L218 HydrophobicContact CD1-CB 4.32Å; L77-L218 HydrophobicContact CD1-CD1 3.75Å; L77-L218 HydrophobicContact CD1-CG 4.43Å; L77-L218 HydrophobicContact CD2-CB 4.48Å; L77-L218 HydrophobicContact CD2-CD1 3.69Å; L77-L218 HydrophobicContact CG-CD1 4.38Å; L77-R231 HydrophobicContact CD1-CB 3.46Å; L77-R231 VanDerWaalsContact CD1-CB 3.46Å; L77-R231 HydrophobicContact CD1-CG 4.32Å; L77-R231 HydrophobicContact CG-CB 3.7Å; L77-R231 HydrophobicContact CG-CG 4.03Å; L77-F233 HydrophobicContact CD1-CD1 3.68Å; L77-F233 HydrophobicContact CD1-CE1 3.64Å
78	E	95.1	Very high	92.3	Very high	80 Å²	80	65.6 Å²	65.6	37%	0.374	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.6	170.3	-177.3	166	-145.9	0	0	110	G110 L112 M192	E78-G110 PolarHBondContact N-O 3Å; E78-G110 PolarHBondContact O-N 3.36Å; E78-L112 HydrophobicContact CB-CD1 3.36Å; E78-M192 HydrophobicContact CB-SD 4.28Å; E78-M192 VanDerWaalsContact OE2-SD 3.33Å
79	F	95.1	Very high	92.4	Very high	34 Å²	34	64.2 Å²	64.2	15%	0.149	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.8	-177.2	-59.4	-88.7	0	0	0	109.9	L77 Y92 L99 I109 F233	L77-F79 HydrophobicContact CB-CE2 3.81Å; L77-F79 HydrophobicContact CB-CZ 4Å; L77-F79 HydrophobicContact CD1-CE2 4.43Å; L77-F79 HydrophobicContact CD1-CZ 3.94Å; F79-Y92 VanDerWaalsContact CB-CB 3.4Å; F79-Y92 HydrophobicContact CB-CD1 3.74Å; F79-Y92 HydrophobicContact CB-CD2 4.02Å; F79-Y92 HydrophobicContact CB-CE1 4.49Å; F79-Y92 HydrophobicContact CB-CG 3.46Å; F79-Y92 VanDerWaalsContact CB-CG 3.46Å; F79-Y92 AromaticContact CD1-CD2 3.89Å; F79-Y92 HydrophobicContact CD1-CD2 3.89Å; F79-Y92 HydrophobicContact CD1-CE2 4.34Å; F79-Y92 HydrophobicContact CD1-CG 4.22Å; F79-Y92 AromaticContact CD2-CD1 3.86Å; F79-Y92 HydrophobicContact CD2-CD1 3.86Å; F79-Y92 AromaticContact CD2-CD2 3.81Å; F79-Y92 HydrophobicContact CD2-CD2 3.81Å; F79-Y92 AromaticContact CD2-CE1 3.76Å; F79-Y92 HydrophobicContact CD2-CE1 3.76Å; F79-Y92 AromaticContact CD2-CE2 3.72Å; F79-Y92 HydrophobicContact CD2-CE2 3.72Å; F79-Y92 AromaticContact CD2-CG 3.88Å; F79-Y92 HydrophobicContact CD2-CG 3.88Å; F79-Y92 AromaticContact CD2-CZ 3.67Å; F79-Y92 HydrophobicContact CE1-CD2 4.28Å; F79-Y92 HydrophobicContact CE1-CE2 4.37Å; F79-Y92 HydrophobicContact CE2-CD2 4.23Å; F79-Y92 HydrophobicContact CE2-CE1 4.34Å; F79-Y92 AromaticContact CE2-CE2 3.76Å; F79-Y92 HydrophobicContact CE2-CE2 3.76Å; F79-Y92 AromaticContact CE2-CZ 3.81Å; F79-Y92 AromaticContact CG-CD1 3.97Å; F79-Y92 HydrophobicContact CG-CD1 3.97Å; F79-Y92 AromaticContact CG-CD2 3.64Å; F79-Y92 HydrophobicContact CG-CD2 3.64Å; F79-Y92 HydrophobicContact CG-CE1 4.33Å; F79-Y92 HydrophobicContact CG-CE2 4.03Å; F79-Y92 AromaticContact CG-CG 3.6Å; F79-Y92 HydrophobicContact CG-CG 3.6Å; F79-Y92 HydrophobicContact CZ-CD2 4.44Å; F79-Y92 HydrophobicContact CZ-CE2 4.09Å; F79-L99 HydrophobicContact CD1-CD1 4.28Å; F79-I109 HydrophobicContact CD1-CG1 4.21Å; F79-I109 HydrophobicContact CD1-CG2 4.27Å; F79-I109 HydrophobicContact CE1-CB 4.5Å; F79-I109 HydrophobicContact CE1-CD1 4.02Å; F79-I109 HydrophobicContact CE1-CG1 3.99Å; F79-I109 HydrophobicContact CE1-CG2 3.84Å; F79-I109 HydrophobicContact CZ-CG2 4.29Å; F79-F233 HydrophobicContact CE1-CD1 4.34Å; F79-F233 HydrophobicContact CE1-CD2 4.11Å; F79-F233 HydrophobicContact CE1-CE1 4.26Å; F79-F233 HydrophobicContact CE1-CE2 4.01Å; F79-F233 HydrophobicContact CE1-CG 4.28Å; F79-F233 HydrophobicContact CE1-CZ 4.09Å; F79-F233 HydrophobicContact CZ-CB 4.29Å; F79-F233 AromaticContact CZ-CD1 3.67Å; F79-F233 HydrophobicContact CZ-CD1 3.67Å; F79-F233 HydrophobicContact CZ-CD2 4.03Å; F79-F233 AromaticContact CZ-CE1 3.93Å; F79-F233 HydrophobicContact CZ-CE1 3.93Å; F79-F233 HydrophobicContact CZ-CE2 4.26Å; F79-F233 AromaticContact CZ-CG 3.73Å; F79-F233 HydrophobicContact CZ-CG 3.73Å; F79-F233 HydrophobicContact CZ-CZ 4.22Å
80	N	88.7	Confident	92.4	Very high	87 Å²	87	59.3 Å²	59.3	47%	0.465	34%	0.344	S	S	.	.			trans	-77.9	125	174.5	-67.4	-24.8	0	0	0	110.7	S82	N80-S82 PolarHBondContact O-N 3.17Å
81	D	87.9	Confident	92.5	Very high	100 Å²	100	57.6 Å²	57.6	54%	0.535	33%	0.33	S	S	.	.			trans	-86.1	84.7	165.3	-170.5	-13.1	0	0	0	110	G83 T91 R245	D81-G83 PolarHBondContact O-N 2.92Å; D81-G83 WeakPolarHBondContact OD1-CA 3.09Å; D81-G83 PolarHBondContact OD1-N 2.64Å; D81-T91 PolarHBondContact OD1-OG1 2.78Å; D81-R245 IonicContact OD1-CZ 3.69Å; D81-R245 VanDerWaalsContact OD1-CZ 3.24Å; D81-R245 IonicContact OD1-NH1 3.08Å; D81-R245 PolarHBondContact OD1-NH1 3.27Å; D81-R245 IonicContact OD1-NH2 3.15Å; D81-R245 PolarHBondContact OD1-NH2 2.62Å; D81-R245 IonicContact OD2-CZ 2.92Å; D81-R245 IonicContact OD2-NH1 3.41Å; D81-R245 PolarHBondContact OD2-NH1 3.3Å; D81-R245 IonicContact OD2-NH2 3.59Å
82	S	87.2	Confident	92.7	Very high	69 Å²	69	58.3 Å²	58.3	48%	0.483	33%	0.325	S	S	.	.			trans	-69.6	9.9	175.8	-45	0	0	0	0	114	N80 V88 S90	N80-S82 PolarHBondContact O-N 3.17Å; S82-V88 WeakPolarHBondContact O-CG2 3.3Å; S82-S90 VanDerWaalsContact CB-O 3.23Å; S82-S90 WeakPolarHBondContact CB-O 3.1Å; S82-S90 PolarHBondContact OG-O 3.41Å
83	G	88.7	Confident	92.9	Very high	26 Å²	26	50.4 Å²	50.4	27%	0.268	29%	0.288	S	S	.	.			trans	80.4	-173.5	-178.3	0	0	0	0	0	114.3	D81 T91 R245	D81-G83 PolarHBondContact O-N 2.92Å; D81-G83 WeakPolarHBondContact OD1-CA 3.09Å; D81-G83 PolarHBondContact OD1-N 2.64Å; G83-T91 PolarHBondContact O-OG1 2.7Å; G83-R245 PolarHBondContact O-NH2 3.26Å
84	T	88.6	Confident	92.9	Very high	66 Å²	66	55.4 Å²	55.4	41%	0.405	32%	0.32	S	S	.	.	S	Bend	trans	-105.8	16.6	-178.6	58	0	0	0	0	113.9	K246	T84-K246 HydrophobicContact CG2-CB 4.46Å
85	A	91.1	Very high	92.8	Very high	52 Å²	52	61 Å²	61	43%	0.43	34%	0.34	S	S	.	.			trans	-66.8	156.6	-177.7	0	0	0	0	0	111.7	S87 V88	A85-S87 PolarHBondContact O-N 2.73Å; A85-V88 HydrophobicContact CB-CG2 3.96Å; A85-V88 WeakPolarHBondContact O-CB 3.19Å; A85-V88 WeakPolarHBondContact O-CG2 3.46Å; A85-V88 PolarHBondContact O-N 2.7Å
86	K	87.7	Confident	92.7	Very high	203 Å²	203	63 Å²	63	88%	0.883	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.6	-179.3	-68.2	-178.2	179.8	177.4	0	113.2	V88	K86-V88 VanDerWaalsContact C-N 3.3Å
87	S	90.6	Very high	92.6	Very high	102 Å²	102	61 Å²	61	71%	0.713	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-9	179.1	49.5	0	0	0	0	113.8	A85 T89	A85-S87 PolarHBondContact O-N 2.73Å; S87-T89 PolarHBondContact O-N 2.7Å
88	V	94	Very high	92.6	Very high	12 Å²	12	60.6 Å²	60.6	7%	0.073	34%	0.344	C	S	.	.			trans	-70	122.5	-175.5	177.1	0	0	0	0	110.4	S82 A85 K86 S90 T91 P241	S82-V88 WeakPolarHBondContact O-CG2 3.3Å; A85-V88 HydrophobicContact CB-CG2 3.96Å; A85-V88 WeakPolarHBondContact O-CB 3.19Å; A85-V88 WeakPolarHBondContact O-CG2 3.46Å; A85-V88 PolarHBondContact O-N 2.7Å; K86-V88 VanDerWaalsContact C-N 3.3Å; V88-S90 WeakPolarHBondContact CG1-O 3.46Å; V88-T91 HydrophobicContact CG1-CG2 4.19Å; V88-P241 WeakPolarHBondContact O-CD 3.33Å
89	T	94.8	Very high	92.8	Very high	60 Å²	60	57 Å²	57	37%	0.368	33%	0.327	S	S	.	.	S	Bend	trans	-84.2	-27.7	176.8	53.8	0	0	0	0	112.5	S87 C101 Q102 K105	S87-T89 PolarHBondContact O-N 2.7Å; T89-C101 CarbonylContact O-C 3.56Å; T89-C101 WeakPolarHBondContact O-CA 3.43Å; T89-Q102 PolarHBondContact O-N 2.67Å; T89-K105 HydrophobicContact CG2-CG 4.4Å
90	S	96	Very high	92.9	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.063	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	135.4	177.3	-164	0	0	0	0	111.9	S82 V88 F100 T107	S82-S90 VanDerWaalsContact CB-O 3.23Å; S82-S90 WeakPolarHBondContact CB-O 3.1Å; S82-S90 PolarHBondContact OG-O 3.41Å; V88-S90 WeakPolarHBondContact CG1-O 3.46Å; S90-F100 CarbonylContact C-O 3.57Å; S90-F100 VanDerWaalsContact CA-O 3.31Å; S90-F100 WeakPolarHBondContact CA-O 3.45Å; S90-T107 WeakPolarHBondContact CB-OG1 3.08Å; S90-T107 WeakPolarHBondContact OG-CG2 3.31Å; S90-T107 PolarHBondContact OG-OG1 2.85Å; S90-T107 VanDerWaalsContact OG-OG1 3.06Å
91	T	96.5	Very high	93.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144.9	177.6	178.3	0	0	0	0	110.4	D81 G83 V88 F100 P241 R245	D81-T91 PolarHBondContact OD1-OG1 2.78Å; G83-T91 PolarHBondContact O-OG1 2.7Å; V88-T91 HydrophobicContact CG1-CG2 4.19Å; T91-F100 HydrophobicContact CG2-CB 4.1Å; T91-F100 PolarHBondContact N-O 2.85Å; T91-F100 PolarHBondContact O-N 2.93Å; T91-P241 HydrophobicContact CG2-CB 3.98Å; T91-R245 HydrophobicContact CG2-CB 4.38Å; T91-R245 PolarHBondContact OG1-NE 3.35Å; T91-R245 PolarHBondContact OG1-NH1 2.76Å; T91-R245 VanDerWaalsContact OG1-NH1 3.1Å
92	Y	97.2	Very high	93.7	Very high	37 Å²	37	48.4 Å²	48.4	15%	0.145	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.6	177.5	-175	-104.2	0	0	0	111.4	F79 V94 G97 L99 R245	F79-Y92 VanDerWaalsContact CB-CB 3.4Å; F79-Y92 HydrophobicContact CB-CD1 3.74Å; F79-Y92 HydrophobicContact CB-CD2 4.02Å; F79-Y92 HydrophobicContact CB-CE1 4.49Å; F79-Y92 HydrophobicContact CB-CG 3.46Å; F79-Y92 VanDerWaalsContact CB-CG 3.46Å; F79-Y92 AromaticContact CD1-CD2 3.89Å; F79-Y92 HydrophobicContact CD1-CD2 3.89Å; F79-Y92 HydrophobicContact CD1-CE2 4.34Å; F79-Y92 HydrophobicContact CD1-CG 4.22Å; F79-Y92 AromaticContact CD2-CD1 3.86Å; F79-Y92 HydrophobicContact CD2-CD1 3.86Å; F79-Y92 AromaticContact CD2-CD2 3.81Å; F79-Y92 HydrophobicContact CD2-CD2 3.81Å; F79-Y92 AromaticContact CD2-CE1 3.76Å; F79-Y92 HydrophobicContact CD2-CE1 3.76Å; F79-Y92 AromaticContact CD2-CE2 3.72Å; F79-Y92 HydrophobicContact CD2-CE2 3.72Å; F79-Y92 AromaticContact CD2-CG 3.88Å; F79-Y92 HydrophobicContact CD2-CG 3.88Å; F79-Y92 AromaticContact CD2-CZ 3.67Å; F79-Y92 HydrophobicContact CE1-CD2 4.28Å; F79-Y92 HydrophobicContact CE1-CE2 4.37Å; F79-Y92 HydrophobicContact CE2-CD2 4.23Å; F79-Y92 HydrophobicContact CE2-CE1 4.34Å; F79-Y92 AromaticContact CE2-CE2 3.76Å; F79-Y92 HydrophobicContact CE2-CE2 3.76Å; F79-Y92 AromaticContact CE2-CZ 3.81Å; F79-Y92 AromaticContact CG-CD1 3.97Å; F79-Y92 HydrophobicContact CG-CD1 3.97Å; F79-Y92 AromaticContact CG-CD2 3.64Å; F79-Y92 HydrophobicContact CG-CD2 3.64Å; F79-Y92 HydrophobicContact CG-CE1 4.33Å; F79-Y92 HydrophobicContact CG-CE2 4.03Å; F79-Y92 AromaticContact CG-CG 3.6Å; F79-Y92 HydrophobicContact CG-CG 3.6Å; F79-Y92 HydrophobicContact CZ-CD2 4.44Å; F79-Y92 HydrophobicContact CZ-CE2 4.09Å; Y92-V94 HydrophobicContact CD1-CG2 4.05Å; Y92-V94 HydrophobicContact CE1-CG2 4.08Å; Y92-G97 WeakPolarHBondContact OH-CA 3.37Å; Y92-L99 HydrophobicContact CD2-CB 4.03Å; Y92-L99 HydrophobicContact CD2-CD1 4.32Å; Y92-R245 PolarHBondContact O-NH1 3.26Å
93	S	95.9	Very high	94.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	111.6	170.2	178.9	0	0	0	0	109.4	K95 L96 G97 K98 E249	S93-K95 VanDerWaalsContact C-N 3.27Å; S93-K95 PolarHBondContact O-N 3.45Å; S93-L96 PolarHBondContact O-N 2.88Å; S93-L96 PolarHBondContact OG-N 2.85Å; S93-G97 WeakPolarHBondContact O-CA 3.46Å; S93-G97 PolarHBondContact O-N 2.89Å; S93-K98 PolarHBondContact N-O 3.3Å; S93-K98 PolarHBondContact O-N 2.63Å; S93-K98 VanDerWaalsContact O-N 3.15Å; S93-E249 VanDerWaalsContact CB-OE1 3.24Å; S93-E249 WeakPolarHBondContact CB-OE1 3.47Å; S93-E249 PolarHBondContact OG-OE1 3.1Å
94	V	93.8	Very high	94.5	Very high	124 Å²	124	48.6 Å²	48.6	75%	0.752	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-37.5	172.6	-176.5	0	0	0	0	110.5	Y92 L96 G97	Y92-V94 HydrophobicContact CD1-CG2 4.05Å; Y92-V94 HydrophobicContact CE1-CG2 4.08Å; V94-L96 VanDerWaalsContact C-N 3.32Å; V94-L96 PolarHBondContact O-N 2.85Å; V94-G97 PolarHBondContact O-N 2.83Å
95	K	92.5	Very high	94.9	Very high	131 Å²	131	50.3 Å²	50.3	57%	0.57	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-39.1	178.8	-68	-178.8	175.9	178.7	0	112.5	S93 E253	S93-K95 VanDerWaalsContact C-N 3.27Å; S93-K95 PolarHBondContact O-N 3.45Å; K95-E253 IonicContact NZ-OE1 2.74Å; K95-E253 PolarHBondContact NZ-OE1 3.44Å
96	L	93.7	Very high	95.1	Very high	44 Å²	44	50.8 Å²	50.8	23%	0.23	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-11.9	-178.5	-64.5	169.8	0	0	0	113.5	S93 V94 K98 F100 E248 E249 L252	S93-L96 PolarHBondContact O-N 2.88Å; S93-L96 PolarHBondContact OG-N 2.85Å; V94-L96 VanDerWaalsContact C-N 3.32Å; V94-L96 PolarHBondContact O-N 2.85Å; L96-K98 HydrophobicContact CB-CB 3.74Å; L96-K98 PolarHBondContact O-N 2.9Å; L96-F100 HydrophobicContact CD1-CE2 4.14Å; L96-F100 HydrophobicContact CD1-CZ 3.92Å; L96-E248 HydrophobicContact CD1-CB 3.6Å; L96-E249 HydrophobicContact CD1-CG 3.74Å; L96-E249 HydrophobicContact CG-CG 4.12Å; L96-L252 HydrophobicContact CD2-CB 4.21Å; L96-L252 HydrophobicContact CD2-CD2 3.91Å
97	G	93.7	Very high	95.5	Very high	26 Å²	26	41.2 Å²	41.2	27%	0.268	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	36.5	-169	0	0	0	0	0	112.3	Y92 S93 V94 E234	Y92-G97 WeakPolarHBondContact OH-CA 3.37Å; S93-G97 WeakPolarHBondContact O-CA 3.46Å; S93-G97 PolarHBondContact O-N 2.89Å; V94-G97 PolarHBondContact O-N 2.83Å; G97-E234 PolarHBondContact O-N 2.89Å
98	K	96.5	Very high	95.8	Very high	11 Å²	11	38.3 Å²	38.3	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.8	-163.9	-173.6	168.6	-179.4	167.7	0	112.9	S93 L96 F100 E234 R236 E248	S93-K98 PolarHBondContact N-O 3.3Å; S93-K98 PolarHBondContact O-N 2.63Å; S93-K98 VanDerWaalsContact O-N 3.15Å; L96-K98 HydrophobicContact CB-CB 3.74Å; L96-K98 PolarHBondContact O-N 2.9Å; K98-F100 HydrophobicContact CB-CE2 3.97Å; K98-F100 HydrophobicContact CB-CZ 4.35Å; K98-F100 HydrophobicContact CD-CE1 4.16Å; K98-F100 HydrophobicContact CD-CE2 4.06Å; K98-F100 HydrophobicContact CD-CZ 3.61Å; K98-F100 HydrophobicContact CG-CD2 4.35Å; K98-F100 HydrophobicContact CG-CE1 4.47Å; K98-F100 HydrophobicContact CG-CE2 3.76Å; K98-F100 HydrophobicContact CG-CZ 3.84Å; K98-E234 CarbonylContact C-O 3.58Å; K98-E234 WeakPolarHBondContact CA-O 3.12Å; K98-E234 HydrophobicContact CB-CB 4.16Å; K98-E234 HydrophobicContact CD-CB 4.34Å; K98-E234 HydrophobicContact CD-CG 3.94Å; K98-E234 WeakPolarHBondContact CE-OE1 3.23Å; K98-E234 HydrophobicContact CG-CB 3.94Å; K98-E234 HydrophobicContact CG-CG 3.96Å; K98-E234 IonicContact NZ-OE1 3.48Å; K98-E234 PolarHBondContact NZ-OE1 2.94Å; K98-R236 VanDerWaalsContact CE-CB 3.46Å; K98-E248 WeakPolarHBondContact CD-OE2 3.08Å; K98-E248 WeakPolarHBondContact CE-OE2 3.29Å; K98-E248 VanDerWaalsContact NZ-CD 3.32Å; K98-E248 IonicContact NZ-OE1 3.33Å; K98-E248 PolarHBondContact NZ-OE1 3.44Å; K98-E248 VanDerWaalsContact NZ-OE1 3.09Å; K98-E248 IonicContact NZ-OE2 2.62Å; K98-E248 PolarHBondContact NZ-OE2 2.86Å
99	L	97.7	Very high	95.9	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	129	174.6	-178.5	67.3	0	0	0	110.4	F79 Y92 T107 F199 F233 E234 V235 R236	F79-L99 HydrophobicContact CD1-CD1 4.28Å; Y92-L99 HydrophobicContact CD2-CB 4.03Å; Y92-L99 HydrophobicContact CD2-CD1 4.32Å; L99-T107 HydrophobicContact CD1-CG2 3.94Å; L99-T107 HydrophobicContact CD2-CG2 3.83Å; L99-T107 HydrophobicContact CG-CG2 4.37Å; L99-F199 HydrophobicContact CD2-CE2 4.27Å; L99-F233 HydrophobicContact CB-CD2 4.05Å; L99-F233 HydrophobicContact CB-CE2 4.23Å; L99-F233 HydrophobicContact CD2-CD2 4.38Å; L99-F233 HydrophobicContact CD2-CE2 3.73Å; L99-E234 PolarHBondContact N-O 3.31Å; L99-V235 HydrophobicContact CB-CG2 4.29Å; L99-V235 HydrophobicContact CD2-CG1 4.5Å; L99-V235 HydrophobicContact CD2-CG2 4.23Å; L99-V235 WeakPolarHBondContact O-CA 3.2Å; L99-R236 PolarHBondContact O-N 3.13Å
100	F	97.8	Very high	96	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.1	173.2	-60.2	-98.7	0	0	0	108.3	S90 T91 L96 K98 R236 P241 D244 R245 E248	S90-F100 CarbonylContact C-O 3.57Å; S90-F100 VanDerWaalsContact CA-O 3.31Å; S90-F100 WeakPolarHBondContact CA-O 3.45Å; T91-F100 HydrophobicContact CG2-CB 4.1Å; T91-F100 PolarHBondContact N-O 2.85Å; T91-F100 PolarHBondContact O-N 2.93Å; L96-F100 HydrophobicContact CD1-CE2 4.14Å; L96-F100 HydrophobicContact CD1-CZ 3.92Å; K98-F100 HydrophobicContact CB-CE2 3.97Å; K98-F100 HydrophobicContact CB-CZ 4.35Å; K98-F100 HydrophobicContact CD-CE1 4.16Å; K98-F100 HydrophobicContact CD-CE2 4.06Å; K98-F100 HydrophobicContact CD-CZ 3.61Å; K98-F100 HydrophobicContact CG-CD2 4.35Å; K98-F100 HydrophobicContact CG-CE1 4.47Å; K98-F100 HydrophobicContact CG-CE2 3.76Å; K98-F100 HydrophobicContact CG-CZ 3.84Å; F100-R236 WeakPolarHBondContact CA-O 3.38Å; F100-R236 HydrophobicContact CD1-CB 4.03Å; F100-R236 HydrophobicContact CD1-CG 4.32Å; F100-R236 HydrophobicContact CE1-CB 4.28Å; F100-P241 HydrophobicContact CB-CB 3.76Å; F100-D244 HydrophobicContact CD1-CB 3.91Å; F100-D244 HydrophobicContact CE1-CB 4.08Å; F100-R245 HydrophobicContact CD1-CB 4.45Å; F100-R245 HydrophobicContact CD2-CB 3.76Å; F100-R245 HydrophobicContact CD2-CG 4.06Å; F100-R245 HydrophobicContact CE2-CB 3.84Å; F100-R245 HydrophobicContact CE2-CG 3.9Å; F100-R245 HydrophobicContact CG-CB 4.09Å; F100-R245 HydrophobicContact CZ-CB 4.22Å; F100-E248 HydrophobicContact CE1-CG 4.45Å; F100-E248 HydrophobicContact CZ-CB 4.29Å; F100-E248 HydrophobicContact CZ-CG 4.48Å
101	C	97.2	Very high	96	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.5	-178.1	58.3	0	0	0	0	112	T89 T107 F199 R236 V237 C238	T89-C101 CarbonylContact O-C 3.56Å; T89-C101 WeakPolarHBondContact O-CA 3.43Å; C101-T107 WeakPolarHBondContact CB-OG1 3.21Å; C101-F199 VanDerWaalsContact SG-CD2 3.54Å; C101-R236 PolarHBondContact N-O 2.89Å; C101-R236 VanDerWaalsContact N-O 3.1Å; C101-V237 CarbonylContact O-C 3.51Å; C101-V237 VanDerWaalsContact O-CA 3.26Å; C101-V237 WeakPolarHBondContact O-CA 3.45Å; C101-C238 PolarHBondContact O-N 3.03Å
102	Q	97.1	Very high	96	Very high	41 Å²	41	36.8 Å²	36.8	19%	0.192	20%	0.203	C	C	.	.			trans	-84.4	152.7	173.3	-74.4	-177.1	2.6	0	0	112	T89 A104 K105 C238 A239 P241	T89-Q102 PolarHBondContact O-N 2.67Å; Q102-A104 PolarHBondContact O-N 3.27Å; Q102-K105 HydrophobicContact CB-CB 3.99Å; Q102-K105 HydrophobicContact CB-CG 3.62Å; Q102-K105 PolarHBondContact O-N 3.33Å; Q102-C238 WeakPolarHBondContact CA-O 3.47Å; Q102-A239 PolarHBondContact NE2-O 2.94Å; Q102-P241 HydrophobicContact CG-CG 3.81Å
103	L	96.7	Very high	95.9	Very high	50 Å²	50	36.2 Å²	36.2	26%	0.262	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	130.8	172.1	177.9	72.1	0	0	0	110.9	K105 H145 C201 V237	L103-K105 PolarHBondContact O-N 2.79Å; L103-H145 WeakPolarHBondContact CD2-NE2 3.4Å; L103-C201 VanDerWaalsContact CD1-C 3.43Å; L103-V237 HydrophobicContact CB-CG1 4.27Å
104	A	95.7	Very high	95.7	Very high	49 Å²	49	45.3 Å²	45.3	41%	0.405	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	27.5	175.1	0	0	0	0	0	113.7	Q102 F199 M200	Q102-A104 PolarHBondContact O-N 3.27Å; A104-F199 PolarHBondContact N-O 2.99Å; A104-M200 HydrophobicContact CB-CE 3.77Å; A104-M200 HydrophobicContact CB-SD 3.84Å
105	K	96.3	Very high	95.6	Very high	102 Å²	102	45.1 Å²	45.1	44%	0.443	23%	0.234	S	C	.	.			trans	-106.6	138	171.7	-65.7	-57	-177.2	-176.1	0	110.1	T89 Q102 L103 T107	T89-K105 HydrophobicContact CG2-CG 4.4Å; Q102-K105 HydrophobicContact CB-CB 3.99Å; Q102-K105 HydrophobicContact CB-CG 3.62Å; Q102-K105 PolarHBondContact O-N 3.33Å; L103-K105 PolarHBondContact O-N 2.79Å; K105-T107 PolarHBondContact O-N 3.29Å
106	T	96	Very high	95.6	Very high	62 Å²	62	42.4 Å²	42.4	38%	0.38	22%	0.224	S	C	.	.			trans	-64.2	125.7	178.6	-48.3	0	0	0	0	110.7	E161 L196	T106-E161 HydrophobicContact CG2-CB 4.25Å; T106-E161 HydrophobicContact CG2-CG 4.41Å; T106-L196 HydrophobicContact CG2-CB 3.57Å; T106-L196 HydrophobicContact CG2-CD1 4.09Å; T106-L196 HydrophobicContact CG2-CD2 3.86Å; T106-L196 HydrophobicContact CG2-CG 4.04Å
107	T	96.3	Very high	95.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	109.7	175.1	-63.7	0	0	0	0	108.9	S90 L99 C101 K105 I109 L197	S90-T107 WeakPolarHBondContact CB-OG1 3.08Å; S90-T107 WeakPolarHBondContact OG-CG2 3.31Å; S90-T107 PolarHBondContact OG-OG1 2.85Å; S90-T107 VanDerWaalsContact OG-OG1 3.06Å; L99-T107 HydrophobicContact CD1-CG2 3.94Å; L99-T107 HydrophobicContact CD2-CG2 3.83Å; L99-T107 HydrophobicContact CG-CG2 4.37Å; C101-T107 WeakPolarHBondContact CB-OG1 3.21Å; K105-T107 PolarHBondContact O-N 3.29Å; T107-I109 HydrophobicContact CG2-CG1 4.28Å; T107-L197 WeakPolarHBondContact CA-O 3.45Å; T107-L197 WeakPolarHBondContact CB-O 3.45Å; T107-L197 PolarHBondContact N-O 3.34Å; T107-L197 PolarHBondContact O-N 3.1Å
108	P	96	Very high	95.6	Very high	41 Å²	41	42.5 Å²	42.5	27%	0.266	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.6	174.4	29.7	-32.9	0	0	0	110	T194 I195 L196	P108-T194 HydrophobicContact CB-CG2 3.62Å; P108-I195 CarbonylContact C-O 3.55Å; P108-I195 WeakPolarHBondContact CA-O 3.19Å; P108-L196 HydrophobicContact CB-CD2 3.91Å
109	I	96.7	Very high	95.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.1	173.1	-57.4	178.3	0	0	0	107.1	L77 F79 T107 T194 I195 L197 L218 F233	L77-I109 HydrophobicContact CB-CG2 4.41Å; L77-I109 HydrophobicContact CD2-CG2 4.11Å; F79-I109 HydrophobicContact CD1-CG1 4.21Å; F79-I109 HydrophobicContact CD1-CG2 4.27Å; F79-I109 HydrophobicContact CE1-CB 4.5Å; F79-I109 HydrophobicContact CE1-CD1 4.02Å; F79-I109 HydrophobicContact CE1-CG1 3.99Å; F79-I109 HydrophobicContact CE1-CG2 3.84Å; F79-I109 HydrophobicContact CZ-CG2 4.29Å; T107-I109 HydrophobicContact CG2-CG1 4.28Å; I109-T194 WeakPolarHBondContact O-CA 3.24Å; I109-I195 HydrophobicContact CB-CD1 4.43Å; I109-I195 HydrophobicContact CB-CG1 3.89Å; I109-I195 PolarHBondContact N-O 2.85Å; I109-I195 WeakPolarHBondContact O-CG1 3.24Å; I109-I195 PolarHBondContact O-N 2.88Å; I109-L197 HydrophobicContact CD1-CB 4.45Å; I109-L197 HydrophobicContact CD1-CD1 3.55Å; I109-L197 HydrophobicContact CD1-CG 4.04Å; I109-L218 HydrophobicContact CD1-CD1 4.34Å; I109-L218 HydrophobicContact CG2-CD1 4.12Å; I109-F233 HydrophobicContact CD1-CE1 4.45Å; I109-F233 HydrophobicContact CD1-CE2 4.28Å; I109-F233 HydrophobicContact CD1-CZ 3.66Å
110	G	95.9	Very high	95.2	Very high	5 Å²	5	52.3 Å²	52.3	5%	0.052	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.9	174.1	0	0	0	0	0	110.3	L77 E78 M192	L77-G110 CarbonylContact C-O 3.6Å; L77-G110 VanDerWaalsContact CA-O 3.28Å; L77-G110 WeakPolarHBondContact CA-O 3.39Å; E78-G110 PolarHBondContact N-O 3Å; E78-G110 PolarHBondContact O-N 3.36Å; G110-M192 VanDerWaalsContact CA-SD 3.56Å
111	V	96.7	Very high	95.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.8	175.9	177.2	0	0	0	0	107.3	F75 L77 V113 I123 Y183 M192 T193 I195	F75-V111 HydrophobicContact CD2-CG1 4.32Å; F75-V111 HydrophobicContact CE2-CG1 3.67Å; L77-V111 HydrophobicContact CD2-CG2 4.25Å; V111-V113 HydrophobicContact CG1-CG2 4.17Å; V111-I123 HydrophobicContact CB-CD1 4.35Å; V111-I123 HydrophobicContact CG1-CD1 3.98Å; V111-I123 HydrophobicContact CG2-CD1 3.95Å; V111-Y183 HydrophobicContact CG1-CE2 4.39Å; V111-M192 WeakPolarHBondContact O-CA 3.33Å; V111-T193 WeakPolarHBondContact CB-O 3.27Å; V111-T193 PolarHBondContact N-O 3.38Å; V111-T193 PolarHBondContact O-N 3.15Å; V111-I195 HydrophobicContact CG2-CD1 4.09Å; V111-I195 HydrophobicContact CG2-CG1 4.06Å; V111-I195 HydrophobicContact CG2-CG2 4.04Å
112	L	95.8	Very high	95.1	Very high	44 Å²	44	53.8 Å²	53.8	23%	0.23	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.8	-178.8	-73.1	86.1	0	0	0	109.3	N76 E78 M192	N76-L112 HydrophobicContact CB-CB 4.27Å; N76-L112 PolarHBondContact N-O 3.29Å; N76-L112 PolarHBondContact O-N 3.26Å; E78-L112 HydrophobicContact CB-CD1 3.36Å; L112-M192 HydrophobicContact CD1-CB 3.99Å; L112-M192 HydrophobicContact CD1-SD 4.31Å; L112-M192 HydrophobicContact CG-CB 3.92Å
113	V	94.8	Very high	95.1	Very high	26 Å²	26	52 Å²	52	16%	0.158	28%	0.282	C	S	.	.			trans	-135	130.1	177.4	-164	0	0	0	0	107.7	H73 F75 V111 E115 Y183	H73-V113 HydrophobicContact CB-CG1 3.64Å; H73-V113 VanDerWaalsContact O-CG1 3.29Å; H73-V113 WeakPolarHBondContact O-CG1 3.29Å; F75-V113 HydrophobicContact CD2-CG2 4.35Å; V111-V113 HydrophobicContact CG1-CG2 4.17Å; V113-E115 WeakPolarHBondContact CG1-O 3.37Å; V113-Y183 HydrophobicContact CG2-CE2 3.67Å
114	K	92.6	Very high	95.2	Very high	190 Å²	190	52.2 Å²	52.2	83%	0.826	28%	0.279	S	S	*	.	S	Bend	trans	-80.4	-40	-179	-68.2	-175.2	177.6	-177.9	0	112.3	H73	H73-K114 PolarHBondContact O-N 3.18Å
115	E	91.5	Very high	95.2	Very high	121 Å²	121	50 Å²	50	57%	0.565	26%	0.261	S	S	*	.	S	Bend	trans	-123.1	131.3	179.3	179.1	172.2	-172.8	0	0	108.9	H73 V113	H73-E115 WeakPolarHBondContact CB-O 3.48Å; H73-E115 PolarHBondContact ND1-O 2.84Å; H73-E115 PolarHBondContact O-N 2.73Å; V113-E115 WeakPolarHBondContact CG1-O 3.37Å
116	E	91.8	Very high	95.2	Very high	74 Å²	74	46.1 Å²	46.1	35%	0.346	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-55.8	128	-175.5	-174.7	61	-165.9	0	0	111.6	H73 Y183 R185	H73-E116 PolarHBondContact CE1-O 3.38Å; H73-E116 PolarHBondContact ND1-O 3.33Å; E116-Y183 WeakPolarHBondContact OE1-CE1 3.42Å; E116-R185 WeakPolarHBondContact OE1-CD 3.39Å; E116-R185 WeakPolarHBondContact OE1-CG 3.27Å; E116-R185 IonicContact OE1-CZ 3.33Å; E116-R185 IonicContact OE1-NE 2.68Å; E116-R185 PolarHBondContact OE1-NE 2.83Å; E116-R185 IonicContact OE1-NH2 3.18Å; E116-R185 PolarHBondContact OE1-NH2 2.9Å; E116-R185 IonicContact OE2-NE 3.66Å
117	P	94.1	Very high	95.3	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.039	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-70.7	164.6	177.8	29.9	-33.5	0	0	0	111.9	A121 Y183 L220 L228	P117-A121 HydrophobicContact CB-CB 3.83Å; P117-A121 HydrophobicContact CG-CB 4.04Å; P117-Y183 HydrophobicContact CG-CD1 3.45Å; P117-Y183 VanDerWaalsContact CG-CD1 3.45Å; P117-Y183 HydrophobicContact CG-CD2 4.44Å; P117-Y183 HydrophobicContact CG-CE1 3.5Å; P117-Y183 HydrophobicContact CG-CE2 4.5Å; P117-Y183 HydrophobicContact CG-CG 3.95Å; P117-L220 HydrophobicContact CB-CD2 3.97Å; P117-L220 HydrophobicContact CG-CD1 4.39Å; P117-L220 HydrophobicContact CG-CD2 4.26Å; P117-L228 HydrophobicContact CB-CD1 4.16Å
118	P	94.2	Very high	95.2	Very high	66 Å²	66	43.6 Å²	43.6	43%	0.429	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-51.6	151.1	172.4	-25.6	34.8	0	0	0	112.6	G120 A121 L228	P118-G120 PolarHBondContact O-N 2.72Å; P118-A121 VanDerWaalsContact O-CB 3.3Å; P118-A121 WeakPolarHBondContact O-CB 3.43Å; P118-A121 PolarHBondContact O-N 3.1Å; P118-A121 VanDerWaalsContact O-N 3.17Å; P118-L228 HydrophobicContact CG-CD1 4.2Å
119	Q	92.7	Very high	95.3	Very high	174 Å²	174	41.8 Å²	41.8	81%	0.813	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	138.3	178.3	-66.3	-173.2	4.9	0	0	110.9	A121	Q119-A121 VanDerWaalsContact C-N 3.3Å
120	G	93.6	Very high	95.2	Very high	47 Å²	47	46.4 Å²	46.4	49%	0.485	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	4.7	-177.7	0	0	0	0	0	114.5	P118 T223	P118-G120 PolarHBondContact O-N 2.72Å; G120-T223 VanDerWaalsContact O-CG2 3.24Å; G120-T223 WeakPolarHBondContact O-CG2 3.43Å
121	A	96.3	Very high	95	Very high	3 Å²	3	51.2 Å²	51.2	3%	0.025	26%	0.258	C	S	.	.			trans	-54	147.2	172.6	0	0	0	0	0	111.8	P117 P118 Q119 Y183 L220 E221	P117-A121 HydrophobicContact CB-CB 3.83Å; P117-A121 HydrophobicContact CG-CB 4.04Å; P118-A121 VanDerWaalsContact O-CB 3.3Å; P118-A121 WeakPolarHBondContact O-CB 3.43Å; P118-A121 PolarHBondContact O-N 3.1Å; P118-A121 VanDerWaalsContact O-N 3.17Å; Q119-A121 VanDerWaalsContact C-N 3.3Å; A121-Y183 VanDerWaalsContact O-CB 3.27Å; A121-Y183 WeakPolarHBondContact O-CB 3.2Å; A121-Y183 PolarHBondContact O-N 3.03Å; A121-L220 HydrophobicContact CB-CD1 4.17Å; A121-E221 CarbonylContact C-O 3.53Å; A121-E221 VanDerWaalsContact CA-O 3.24Å; A121-E221 WeakPolarHBondContact CA-O 3.42Å
122	V	97	Very high	94.7	Very high	28 Å²	28	57.2 Å²	57.2	17%	0.17	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150.8	-178.2	-59.6	0	0	0	0	110.7	V181 E221	V122-V181 WeakPolarHBondContact CA-O 3.49Å; V122-E221 HydrophobicContact CG2-CB 3.94Å; V122-E221 PolarHBondContact N-O 3.26Å; V122-E221 PolarHBondContact O-N 3.06Å
123	I	97.1	Very high	94.5	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.7	171	-56.3	175.8	0	0	0	107.7	V111 T180 V181 Y183 I195 L218 T219 L220	V111-I123 HydrophobicContact CB-CD1 4.35Å; V111-I123 HydrophobicContact CG1-CD1 3.98Å; V111-I123 HydrophobicContact CG2-CD1 3.95Å; I123-T180 CarbonylContact O-C 3.46Å; I123-T180 WeakPolarHBondContact O-CA 3.1Å; I123-V181 HydrophobicContact CB-CG1 4.03Å; I123-V181 PolarHBondContact N-O 3.1Å; I123-V181 PolarHBondContact O-N 2.86Å; I123-Y183 HydrophobicContact CD1-CD2 4.06Å; I123-Y183 HydrophobicContact CG1-CD2 4.28Å; I123-I195 HydrophobicContact CD1-CG2 3.89Å; I123-I195 HydrophobicContact CG2-CD1 4.28Å; I123-L218 HydrophobicContact CG2-CD2 4.36Å; I123-T219 CarbonylContact C-O 3.56Å; I123-T219 VanDerWaalsContact CA-O 3.29Å; I123-T219 WeakPolarHBondContact CA-O 3.27Å; I123-L220 HydrophobicContact CG1-CD1 4.31Å
124	R	97.1	Very high	94.4	Very high	55 Å²	55	61.2 Å²	61.2	21%	0.208	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.7	176.1	-176	-176.3	-60.5	-89.5	-3	110.8	S178 V179 T180 L218 T219 E221	R124-S178 PolarHBondContact NH1-OG 3.37Å; R124-V179 CarbonylContact C-O 3.58Å; R124-V179 WeakPolarHBondContact CA-O 3.36Å; R124-T180 HydrophobicContact CB-CG2 3.92Å; R124-T180 HydrophobicContact CG-CG2 3.92Å; R124-T180 VanDerWaalsContact CZ-CG2 3.44Å; R124-L218 WeakPolarHBondContact O-CA 3.29Å; R124-T219 WeakPolarHBondContact CB-OG1 3.38Å; R124-T219 PolarHBondContact N-O 2.97Å; R124-T219 PolarHBondContact O-N 2.95Å; R124-E221 WeakPolarHBondContact CD-OE1 3.21Å; R124-E221 IonicContact CZ-OE2 3.47Å; R124-E221 IonicContact NE-OE1 2.78Å; R124-E221 PolarHBondContact NE-OE1 3.25Å; R124-E221 IonicContact NE-OE2 3.15Å; R124-E221 PolarHBondContact NE-OE2 2.74Å; R124-E221 IonicContact NH2-OE2 3.24Å; R124-E221 PolarHBondContact NH2-OE2 3.04Å
125	A	97.6	Very high	94.1	Very high	3 Å²	3	53.8 Å²	53.8	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127	171	0	0	0	0	0	111.3	I158 S178 V179 L197 I217 L218	A125-I158 HydrophobicContact CB-CD1 4.47Å; A125-I158 HydrophobicContact CB-CG2 4.09Å; A125-S178 VanDerWaalsContact O-CA 3.3Å; A125-S178 WeakPolarHBondContact O-CA 3.27Å; A125-V179 HydrophobicContact CB-CG1 3.88Å; A125-V179 PolarHBondContact N-O 2.91Å; A125-V179 PolarHBondContact O-N 3.15Å; A125-V179 VanDerWaalsContact O-N 3.07Å; A125-L197 HydrophobicContact CB-CD1 4.43Å; A125-I217 WeakPolarHBondContact CA-O 3.19Å; A125-L218 HydrophobicContact CB-CD2 3.49Å; A125-L218 VanDerWaalsContact CB-CD2 3.49Å
126	T	96.4	Very high	93.9	Very high	20 Å²	20	50.8 Å²	50.8	12%	0.123	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136	179.2	-55	0	0	0	0	110.7	V128 S178 T216 I217	T126-V128 HydrophobicContact CG2-CG1 4.35Å; T126-S178 WeakPolarHBondContact OG1-CB 3.43Å; T126-T216 WeakPolarHBondContact O-CA 3.43Å; T126-I217 PolarHBondContact N-O 2.84Å; T126-I217 PolarHBondContact O-N 3.15Å
127	A	96.5	Very high	93.9	Very high	9 Å²	9	51.1 Å²	51.1	7%	0.074	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.3	174.5	0	0	0	0	0	111.2	V139 L157 I158	A127-V139 HydrophobicContact CB-CB 3.98Å; A127-V139 HydrophobicContact CB-CG1 4.13Å; A127-V139 HydrophobicContact CB-CG2 4.14Å; A127-L157 HydrophobicContact CB-CD2 4.14Å; A127-I158 HydrophobicContact CB-CD1 3.88Å; A127-I158 HydrophobicContact CB-CG1 4.37Å
128	V	95.8	Very high	93.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.4	175.6	-56.7	0	0	0	0	110.3	P64 I66 T126 I214 L215 I217	P64-V128 HydrophobicContact CG-CG1 3.58Å; I66-V128 HydrophobicContact CG2-CG2 3.94Å; T126-V128 HydrophobicContact CG2-CG1 4.35Å; V128-I214 CarbonylContact O-C 3.55Å; V128-I214 WeakPolarHBondContact O-CA 3.48Å; V128-I214 WeakPolarHBondContact O-CB 3.39Å; V128-L215 HydrophobicContact CG2-CB 3.81Å; V128-L215 PolarHBondContact N-O 3.29Å; V128-L215 PolarHBondContact O-N 3.49Å; V128-I217 HydrophobicContact CG1-CD1 3.85Å; V128-I217 HydrophobicContact CG1-CG1 4.49Å; V128-I217 HydrophobicContact CG2-CD1 3.9Å; V128-I217 HydrophobicContact CG2-CG1 4.09Å
129	Y	96.4	Very high	94	Very high	3 Å²	3	49 Å²	49	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	139.3	172.8	-69.9	-67.7	0	0	0	111	H134 E137 V139 G208 R212 I214	Y129-H134 HydrophobicContact CD2-CB 3.8Å; Y129-H134 WeakPolarHBondContact CD2-O 3.44Å; Y129-H134 HydrophobicContact CG-CB 3.76Å; Y129-E137 HydrophobicContact CD2-CB 3.98Å; Y129-E137 HydrophobicContact CE2-CB 3.91Å; Y129-V139 HydrophobicContact CD1-CG2 4.29Å; Y129-V139 HydrophobicContact CD2-CG2 3.9Å; Y129-V139 HydrophobicContact CE1-CG2 4.21Å; Y129-V139 HydrophobicContact CE2-CB 4.45Å; Y129-V139 HydrophobicContact CE2-CG2 3.83Å; Y129-V139 HydrophobicContact CG-CG2 4.14Å; Y129-G208 PolarHBondContact OH-O 3.28Å; Y129-R212 HydrophobicContact CD1-CB 3.75Å; Y129-R212 HydrophobicContact CE1-CB 3.73Å; Y129-R212 PolarHBondContact OH-NH2 3.37Å; Y129-I214 HydrophobicContact CD1-CG2 3.73Å; Y129-I214 HydrophobicContact CE1-CG2 3.89Å
130	K	94.7	Very high	94	Very high	97 Å²	97	46.5 Å²	46.5	42%	0.422	26%	0.257	S	S	.	.	S	Bend	trans	-69.4	-35.9	-179	-178.8	177.4	-179	180	0	112.6	P213 L215 E234	K130-P213 HydrophobicContact CB-CB 4.11Å; K130-P213 HydrophobicContact CB-CG 4.12Å; K130-P213 HydrophobicContact CD-CB 4.37Å; K130-P213 PolarHBondContact N-O 3.24Å; K130-L215 HydrophobicContact CB-CD1 4.45Å; K130-L215 HydrophobicContact CB-CD2 4.23Å; K130-L215 HydrophobicContact CB-CG 3.92Å; K130-L215 HydrophobicContact CD-CD2 4.19Å; K130-L215 HydrophobicContact CG-CD1 4.35Å; K130-L215 HydrophobicContact CG-CD2 4.03Å; K130-L215 HydrophobicContact CG-CG 4.1Å; K130-E234 HydrophobicContact CD-CG 4.39Å; K130-E234 WeakPolarHBondContact CD-OE2 3.37Å; K130-E234 WeakPolarHBondContact CE-OE2 3.39Å; K130-E234 IonicContact NZ-OE2 3.27Å; K130-E234 PolarHBondContact NZ-OE2 3.31Å
131	K	93.1	Very high	94.1	Very high	106 Å²	106	44.7 Å²	44.7	46%	0.461	24%	0.236	S	C	.	.	S	Bend	trans	-81.4	138.2	-177.9	-64.6	-172.4	174.8	-175.7	0	110.8	E133 H134 V135 P213	K131-E133 VanDerWaalsContact C-N 3.25Å; K131-E133 HydrophobicContact CB-CG 3.96Å; K131-E133 HydrophobicContact CD-CG 4.27Å; K131-E133 WeakPolarHBondContact CD-OE1 3.4Å; K131-E133 IonicContact NZ-OE1 3.6Å; K131-E133 PolarHBondContact NZ-OE1 3.45Å; K131-E133 PolarHBondContact O-N 2.79Å; K131-H134 PolarHBondContact O-N 3.34Å; K131-H134 VanDerWaalsContact O-N 3.1Å; K131-V135 PolarHBondContact O-N 3.36Å; K131-P213 HydrophobicContact CG-CG 4.35Å
132	T	89.6	Confident	94.1	Very high	127 Å²	127	44.8 Å²	44.8	78%	0.779	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-60	-33.6	179.7	50	0	0	0	0	113.1	H134 V135	T132-H134 PolarHBondContact O-N 2.78Å; T132-H134 VanDerWaalsContact O-N 3.14Å; T132-V135 VanDerWaalsContact O-CG1 3.31Å; T132-V135 WeakPolarHBondContact O-CG1 3.46Å; T132-V135 PolarHBondContact O-N 3Å; T132-V135 VanDerWaalsContact O-N 3.15Å
133	E	92	Very high	94.1	Very high	121 Å²	121	47.7 Å²	47.7	57%	0.565	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-58.4	-25.4	177	70.6	-169	173.6	0	0	113.5	K131	K131-E133 VanDerWaalsContact C-N 3.25Å; K131-E133 HydrophobicContact CB-CG 3.96Å; K131-E133 HydrophobicContact CD-CG 4.27Å; K131-E133 WeakPolarHBondContact CD-OE1 3.4Å; K131-E133 IonicContact NZ-OE1 3.6Å; K131-E133 PolarHBondContact NZ-OE1 3.45Å; K131-E133 PolarHBondContact O-N 2.79Å
134	H	91.4	Very high	94	Very high	32 Å²	32	52.9 Å²	52.9	15%	0.148	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-113.5	8.4	-179	-53.4	123.4	0	0	0	112.6	Y129 K131 T132 G136 E137 R212	Y129-H134 HydrophobicContact CD2-CB 3.8Å; Y129-H134 WeakPolarHBondContact CD2-O 3.44Å; Y129-H134 HydrophobicContact CG-CB 3.76Å; K131-H134 PolarHBondContact O-N 3.34Å; K131-H134 VanDerWaalsContact O-N 3.1Å; T132-H134 PolarHBondContact O-N 2.78Å; T132-H134 VanDerWaalsContact O-N 3.14Å; H134-G136 VanDerWaalsContact C-N 3.25Å; H134-G136 PolarHBondContact O-N 3.33Å; H134-E137 IonicContact CD2-OE1 3.45Å; H134-E137 PolarHBondContact CD2-OE1 2.95Å; H134-E137 VanDerWaalsContact CD2-OE1 3.27Å; H134-E137 WeakPolarHBondContact O-CB 3.28Å; H134-E137 PolarHBondContact O-N 2.6Å; H134-R212 PolarHBondContact CD2-NH1 2.86Å; H134-R212 WeakPolarHBondContact CE1-CD 3.28Å
135	V	87.2	Confident	93.9	Very high	34 Å²	34	51.7 Å²	51.7	21%	0.206	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.1	-172.3	76.8	0	0	0	0	112.2	V63 K131 T132 E137 R176	V63-V135 HydrophobicContact CG1-CG1 4.27Å; V63-V135 HydrophobicContact CG1-CG2 3.78Å; V63-V135 HydrophobicContact CG2-CG1 4.48Å; K131-V135 PolarHBondContact O-N 3.36Å; T132-V135 VanDerWaalsContact O-CG1 3.31Å; T132-V135 WeakPolarHBondContact O-CG1 3.46Å; T132-V135 PolarHBondContact O-N 3Å; T132-V135 VanDerWaalsContact O-N 3.15Å; V135-E137 VanDerWaalsContact C-N 3.25Å; V135-E137 PolarHBondContact O-N 3.34Å; V135-R176 PolarHBondContact O-NH2 3.44Å
136	G	87.5	Confident	93.8	Very high	59 Å²	59	54.8 Å²	54.8	61%	0.608	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-12.9	174.8	0	0	0	0	0	113.9	H134	H134-G136 VanDerWaalsContact C-N 3.25Å; H134-G136 PolarHBondContact O-N 3.33Å
137	E	92.5	Very high	93.7	Very high	80 Å²	80	58.3 Å²	58.3	37%	0.374	32%	0.316	S	S	.	.	S	Bend	trans	-82.5	150.3	177.7	-64.7	-176.5	-140.9	0	0	112	Y129 H134 V135 R176 R212	Y129-E137 HydrophobicContact CD2-CB 3.98Å; Y129-E137 HydrophobicContact CE2-CB 3.91Å; H134-E137 IonicContact CD2-OE1 3.45Å; H134-E137 PolarHBondContact CD2-OE1 2.95Å; H134-E137 VanDerWaalsContact CD2-OE1 3.27Å; H134-E137 WeakPolarHBondContact O-CB 3.28Å; H134-E137 PolarHBondContact O-N 2.6Å; V135-E137 VanDerWaalsContact C-N 3.25Å; V135-E137 PolarHBondContact O-N 3.34Å; E137-R176 PolarHBondContact O-NH1 2.84Å; E137-R212 VanDerWaalsContact CD-NH1 3.25Å; E137-R212 IonicContact OE1-NH1 2.76Å; E137-R212 PolarHBondContact OE1-NH1 3.5Å; E137-R212 VanDerWaalsContact OE1-NH1 3.15Å; E137-R212 IonicContact OE2-CZ 2.72Å; E137-R212 VanDerWaalsContact OE2-CZ 3.27Å; E137-R212 IonicContact OE2-NH1 2.99Å; E137-R212 PolarHBondContact OE2-NH1 2.85Å; E137-R212 IonicContact OE2-NH2 3.35Å; E137-R212 PolarHBondContact OE2-NH2 2.93Å
138	V	93.5	Very high	93.5	Very high	21 Å²	21	63.7 Å²	63.7	13%	0.127	34%	0.339	C	S	.	.			trans	-86.2	131.9	171.8	178.8	0	0	0	0	109.3	K140 T174 R175 R176	V138-K140 HydrophobicContact CB-CG 4.33Å; V138-K140 HydrophobicContact CG1-CG 4.05Å; V138-K140 PolarHBondContact O-N 2.74Å; V138-T174 WeakPolarHBondContact CG2-O 3.11Å; V138-R175 VanDerWaalsContact CG1-O 3.27Å; V138-R175 WeakPolarHBondContact CG1-O 3.27Å; V138-R175 HydrophobicContact CG2-CB 4.13Å; V138-R176 HydrophobicContact CG2-CG 4.13Å
139	V	95.6	Very high	93.3	Very high	6 Å²	6	64.8 Å²	64.8	4%	0.036	35%	0.345	C	S	.	.			trans	-72.6	102.1	170.1	-173.5	0	0	0	0	108.6	A127 Y129 L157 M209 I214	A127-V139 HydrophobicContact CB-CB 3.98Å; A127-V139 HydrophobicContact CB-CG1 4.13Å; A127-V139 HydrophobicContact CB-CG2 4.14Å; Y129-V139 HydrophobicContact CD1-CG2 4.29Å; Y129-V139 HydrophobicContact CD2-CG2 3.9Å; Y129-V139 HydrophobicContact CE1-CG2 4.21Å; Y129-V139 HydrophobicContact CE2-CB 4.45Å; Y129-V139 HydrophobicContact CE2-CG2 3.83Å; Y129-V139 HydrophobicContact CG-CG2 4.14Å; V139-L157 HydrophobicContact CG1-CD2 3.43Å; V139-L157 VanDerWaalsContact CG1-CD2 3.43Å; V139-M209 HydrophobicContact CG1-CG 4Å; V139-I214 HydrophobicContact CG1-CG2 4.06Å; V139-I214 HydrophobicContact CG2-CG2 4.04Å
140	K	94	Very high	93.1	Very high	122 Å²	122	72.8 Å²	72.8	53%	0.53	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-97.3	154.4	178.6	-63.4	-177.9	-177.2	-177.4	0	111.3	V138 G208	V138-K140 HydrophobicContact CB-CG 4.33Å; V138-K140 HydrophobicContact CG1-CG 4.05Å; V138-K140 PolarHBondContact O-N 2.74Å; K140-G208 VanDerWaalsContact O-CA 3.29Å; K140-G208 WeakPolarHBondContact O-CA 3.36Å
141	R	95.7	Very high	92.9	Very high	10 Å²	10	70.2 Å²	70.2	4%	0.038	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-70	156.7	165.9	-71	-171	82.5	-175.3	0.4	110.8	H145 Q146 D149 K154 S155 H156 L157 M200	R141-H145 PolarHBondContact NH2-O 2.62Å; R141-Q146 HydrophobicContact CB-CB 4.48Å; R141-D149 IonicContact CZ-OD2 3.8Å; R141-D149 IonicContact NH1-OD2 3.52Å; R141-D149 PolarHBondContact NH1-OD2 3.28Å; R141-D149 IonicContact NH2-OD2 3.06Å; R141-D149 PolarHBondContact NH2-OD2 3.06Å; R141-K154 WeakPolarHBondContact CD-O 3.3Å; R141-K154 PolarHBondContact NH1-O 3.45Å; R141-S155 WeakPolarHBondContact CG-O 3.47Å; R141-H156 WeakPolarHBondContact CD-O 3.43Å; R141-L157 HydrophobicContact CG-CB 4.22Å; R141-M200 PolarHBondContact NE-O 2.88Å; R141-M200 PolarHBondContact NH2-O 3.11Å
142	C	96.3	Very high	92.7	Very high	4 Å²	4	72.7 Å²	72.7	3%	0.027	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-75	148.5	172.1	63.4	0	0	0	0	110.9	H144 H145 Q146 C201 C205 M206	C142-H144 PolarHBondContact O-N 2.82Å; C142-H145 PolarHBondContact O-N 3.28Å; C142-H145 PolarHBondContact SG-ND1 3.14Å; C142-Q146 WeakPolarHBondContact O-CB 3.46Å; C142-Q146 PolarHBondContact O-N 2.91Å; C142-C201 PolarHBondContact N-SG 2.89Å; C142-C201 VanDerWaalsContact N-SG 3.37Å; C142-C205 HydrophobicContact CB-CB 3.75Å; C142-M206 WeakPolarHBondContact CB-O 3.46Å
143	P	95.3	Very high	92.8	Very high	89 Å²	89	68.8 Å²	68.8	58%	0.578	37%	0.374	S	S	*	.	H	α-helix	trans	-53.9	-38	177.7	-27.8	35.1	0	0	0	113.3	Q146 S147	P143-Q146 PolarHBondContact O-N 3.39Å; P143-S147 WeakPolarHBondContact O-CB 3.35Å; P143-S147 PolarHBondContact O-N 2.88Å; P143-S147 PolarHBondContact O-OG 3.2Å; P143-S147 VanDerWaalsContact O-OG 3.05Å
144	H	95.3	Very high	92.9	Very high	112 Å²	112	67.9 Å²	67.9	52%	0.519	37%	0.368	S	S	.	.	H	α-helix	trans	-58.8	-58.8	-180	-177.5	-70	0	0	0	113	C142 Q146 S147 E148	C142-H144 PolarHBondContact O-N 2.82Å; H144-Q146 PolarHBondContact O-N 3.47Å; H144-S147 PolarHBondContact O-N 2.86Å; H144-S147 PolarHBondContact O-OG 2.55Å; H144-E148 IonicContact CE1-OE1 2.97Å; H144-E148 PolarHBondContact CE1-OE1 3.05Å; H144-E148 IonicContact CE1-OE2 3.26Å; H144-E148 PolarHBondContact CE1-OE2 3.1Å; H144-E148 VanDerWaalsContact CE1-OE2 3.26Å; H144-E148 IonicContact ND1-OE1 2.67Å; H144-E148 IonicContact ND1-OE2 2.97Å; H144-E148 PolarHBondContact ND1-OE2 3.22Å; H144-E148 IonicContact NE2-OE1 3.27Å; H144-E148 WeakPolarHBondContact O-CG 3.2Å; H144-E148 PolarHBondContact O-N 2.85Å
145	H	95.3	Very high	93	Very high	30 Å²	30	67.8 Å²	67.8	14%	0.139	37%	0.371	C	S	.	.	H	α-helix	trans	-71.2	-24	-179.9	-67.2	133.6	0	0	0	112	L103 R141 C142 E148 D149 C205	L103-H145 WeakPolarHBondContact CD2-NE2 3.4Å; R141-H145 PolarHBondContact NH2-O 2.62Å; C142-H145 PolarHBondContact O-N 3.28Å; C142-H145 PolarHBondContact SG-ND1 3.14Å; H145-E148 IonicContact CD2-OE2 3.89Å; H145-D149 WeakPolarHBondContact O-CB 3.32Å; H145-D149 PolarHBondContact O-N 3.42Å; H145-C205 PolarHBondContact CE1-SG 3.15Å
146	Q	95.3	Very high	93.4	Very high	68 Å²	68	66.7 Å²	66.7	32%	0.318	36%	0.364	S	S	.	.	H	α-helix	trans	-72.9	-35.1	175.5	-178.7	171.5	-26.3	0	0	112	R141 C142 P143 H144 K154	R141-Q146 HydrophobicContact CB-CB 4.48Å; C142-Q146 WeakPolarHBondContact O-CB 3.46Å; C142-Q146 PolarHBondContact O-N 2.91Å; P143-Q146 PolarHBondContact O-N 3.39Å; H144-Q146 PolarHBondContact O-N 3.47Å; Q146-K154 HydrophobicContact CG-CB 4.29Å; Q146-K154 HydrophobicContact CG-CD 4.46Å; Q146-K154 HydrophobicContact CG-CG 4.17Å
147	S	94.2	Very high	93.9	Very high	95 Å²	95	64.1 Å²	64.1	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-74.8	-28.5	176.9	55.3	0	0	0	0	113.5	P143 H144 D149	P143-S147 WeakPolarHBondContact O-CB 3.35Å; P143-S147 PolarHBondContact O-N 2.88Å; P143-S147 PolarHBondContact O-OG 3.2Å; P143-S147 VanDerWaalsContact O-OG 3.05Å; H144-S147 PolarHBondContact O-N 2.86Å; H144-S147 PolarHBondContact O-OG 2.55Å; S147-D149 VanDerWaalsContact C-N 3.27Å
148	E	93	Very high	94.1	Very high	121 Å²	121	60.8 Å²	60.8	57%	0.565	32%	0.32	S	S	*	.	S	Bend	trans	-77.3	-15.5	176.1	-69.2	172.5	149	0	0	112.9	H144 H145	H144-E148 IonicContact CE1-OE1 2.97Å; H144-E148 PolarHBondContact CE1-OE1 3.05Å; H144-E148 IonicContact CE1-OE2 3.26Å; H144-E148 PolarHBondContact CE1-OE2 3.1Å; H144-E148 VanDerWaalsContact CE1-OE2 3.26Å; H144-E148 IonicContact ND1-OE1 2.67Å; H144-E148 IonicContact ND1-OE2 2.97Å; H144-E148 PolarHBondContact ND1-OE2 3.22Å; H144-E148 IonicContact NE2-OE1 3.27Å; H144-E148 WeakPolarHBondContact O-CG 3.2Å; H144-E148 PolarHBondContact O-N 2.85Å; H145-E148 IonicContact CD2-OE2 3.89Å
149	D	92.3	Very high	94.3	Very high	24 Å²	24	61 Å²	61	13%	0.128	32%	0.319	C	S	.	.			trans	-94.9	118.1	-172.3	-157.5	-40.9	0	0	0	111.5	R141 H145 S147 S151 K154 R159	R141-D149 IonicContact CZ-OD2 3.8Å; R141-D149 IonicContact NH1-OD2 3.52Å; R141-D149 PolarHBondContact NH1-OD2 3.28Å; R141-D149 IonicContact NH2-OD2 3.06Å; R141-D149 PolarHBondContact NH2-OD2 3.06Å; H145-D149 WeakPolarHBondContact O-CB 3.32Å; H145-D149 PolarHBondContact O-N 3.42Å; S147-D149 VanDerWaalsContact C-N 3.27Å; D149-S151 WeakPolarHBondContact OD1-CB 3.42Å; D149-S151 PolarHBondContact OD1-N 3.36Å; D149-K154 HydrophobicContact CB-CB 3.94Å; D149-R159 IonicContact OD1-CZ 3.24Å; D149-R159 IonicContact OD1-NH1 3.52Å; D149-R159 PolarHBondContact OD1-NH1 2.76Å; D149-R159 IonicContact OD1-NH2 2.75Å; D149-R159 PolarHBondContact OD1-NH2 2.83Å; D149-R159 VanDerWaalsContact OD1-NH2 3.08Å; D149-R159 IonicContact OD2-CZ 2.89Å; D149-R159 IonicContact OD2-NH1 2.86Å; D149-R159 PolarHBondContact OD2-NH1 3.22Å; D149-R159 IonicContact OD2-NH2 3.77Å; D149-R159 PolarHBondContact OD2-NH2 2.88Å
150	L	91.3	Very high	94.4	Very high	170 Å²	170	61.4 Å²	61.4	89%	0.89	32%	0.321	S	S	*	.			trans	-88.8	-1.9	-179.1	-58.7	176.1	0	0	0	113.1
151	S	90.7	Very high	94.4	Very high	44 Å²	44	59 Å²	59	31%	0.308	31%	0.312	S	S	.	.	S	Bend	trans	-72.3	147.4	177	-178.5	0	0	0	0	111.3	D149 N153 K154	D149-S151 WeakPolarHBondContact OD1-CB 3.42Å; D149-S151 PolarHBondContact OD1-N 3.36Å; S151-N153 PolarHBondContact O-N 3.07Å; S151-N153 VanDerWaalsContact O-N 3.15Å; S151-N153 PolarHBondContact OG-N 3.18Å; S151-K154 VanDerWaalsContact O-CB 3.32Å; S151-K154 WeakPolarHBondContact O-CB 3.46Å; S151-K154 PolarHBondContact O-N 2.99Å; S151-K154 VanDerWaalsContact O-N 3.1Å
152	D	89.5	Confident	94.1	Very high	157 Å²	157	62.6 Å²	62.6	84%	0.84	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.4	170.3	-58.8	-40.6	0	0	0	111.9	K154	D152-K154 PolarHBondContact O-N 3.22Å
153	N	91.5	Very high	93.9	Very high	45 Å²	45	63.7 Å²	63.7	24%	0.241	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	32.2	179.3	-54.6	-54.3	0	0	0	112.4	S151 S155 H156 R159 Y168	S151-N153 PolarHBondContact O-N 3.07Å; S151-N153 VanDerWaalsContact O-N 3.15Å; S151-N153 PolarHBondContact OG-N 3.18Å; N153-S155 PolarHBondContact O-N 3.49Å; N153-H156 PolarHBondContact O-N 3.43Å; N153-R159 PolarHBondContact O-NH2 3.33Å; N153-Y168 HydrophobicContact CB-CD1 4Å; N153-Y168 HydrophobicContact CB-CD2 4.22Å; N153-Y168 HydrophobicContact CB-CE1 4.19Å; N153-Y168 HydrophobicContact CB-CE2 4.41Å; N153-Y168 HydrophobicContact CB-CG 4Å; N153-Y168 VanDerWaalsContact CG-CG 3.43Å; N153-Y168 WeakPolarHBondContact ND2-CD2 3.46Å; N153-Y168 VanDerWaalsContact ND2-CE2 3.33Å; N153-Y168 WeakPolarHBondContact ND2-CE2 3.4Å; N153-Y168 VanDerWaalsContact OD1-CB 3.29Å; N153-Y168 WeakPolarHBondContact OD1-CB 3.37Å; N153-Y168 WeakPolarHBondContact OD1-CD2 3.24Å
154	K	93	Very high	93.7	Very high	103 Å²	103	69 Å²	69	45%	0.448	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19	-178.1	64.1	-174.1	177.1	-168.6	0	114.2	R141 Q146 D149 S151 D152	R141-K154 WeakPolarHBondContact CD-O 3.3Å; R141-K154 PolarHBondContact NH1-O 3.45Å; Q146-K154 HydrophobicContact CG-CB 4.29Å; Q146-K154 HydrophobicContact CG-CD 4.46Å; Q146-K154 HydrophobicContact CG-CG 4.17Å; D149-K154 HydrophobicContact CB-CB 3.94Å; S151-K154 VanDerWaalsContact O-CB 3.32Å; S151-K154 WeakPolarHBondContact O-CB 3.46Å; S151-K154 PolarHBondContact O-N 2.99Å; S151-K154 VanDerWaalsContact O-N 3.1Å; D152-K154 PolarHBondContact O-N 3.22Å
155	S	94	Very high	93.7	Very high	30 Å²	30	68.7 Å²	68.7	21%	0.21	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.5	175.2	53.1	0	0	0	0	113.7	R141 N153	R141-S155 WeakPolarHBondContact CG-O 3.47Å; N153-S155 PolarHBondContact O-N 3.49Å
156	H	96.4	Very high	93.7	Very high	11 Å²	11	68.2 Å²	68.2	5%	0.051	38%	0.379	C	S	.	.			trans	-82.5	121.8	-171.2	-74.7	-106	0	0	0	113	R141 N153 Y168 F169 H177 S178	R141-H156 WeakPolarHBondContact CD-O 3.43Å; N153-H156 PolarHBondContact O-N 3.43Å; H156-Y168 HydrophobicContact CB-CD1 3.98Å; H156-Y168 HydrophobicContact CB-CE1 4.31Å; H156-Y168 AromaticContact CG-CD1 3.63Å; H156-Y168 AromaticContact ND1-CD1 3.56Å; H156-F169 PolarHBondContact CE1-N 3.12Å; H156-F169 PolarHBondContact CE1-O 2.9Å; H156-F169 VanDerWaalsContact CE1-O 3.29Å; H156-H177 AromaticContact NE2-CD2 3.83Å; H156-S178 PolarHBondContact CE1-O 3.39Å; H156-S178 VanDerWaalsContact CE1-O 3.28Å; H156-S178 PolarHBondContact ND1-O 3.28Å
157	L	97.2	Very high	93.8	Very high	5 Å²	5	70.3 Å²	70.3	3%	0.026	39%	0.389	C	S	.	.	S	Bend	trans	-67.9	-43.5	176.4	175.5	64.8	0	0	0	112.6	A127 V139 R141 M200 C201 M209 I214	A127-L157 HydrophobicContact CB-CD2 4.14Å; V139-L157 HydrophobicContact CG1-CD2 3.43Å; V139-L157 VanDerWaalsContact CG1-CD2 3.43Å; R141-L157 HydrophobicContact CG-CB 4.22Å; L157-M200 PolarHBondContact O-N 2.98Å; L157-C201 HydrophobicContact CD1-CB 3.62Å; L157-M209 HydrophobicContact CD1-CE 4.13Å; L157-M209 HydrophobicContact CD2-CE 4.26Å; L157-M209 HydrophobicContact CD2-SD 4.21Å; L157-I214 HydrophobicContact CD2-CD1 3.99Å
158	I	97.7	Very high	93.9	Very high	9 Å²	9	68.3 Å²	68.3	5%	0.046	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132	-179.1	-57.1	177.2	0	0	0	107.9	A125 A127 V179 L197 S198 F199 T216	A125-I158 HydrophobicContact CB-CD1 4.47Å; A125-I158 HydrophobicContact CB-CG2 4.09Å; A127-I158 HydrophobicContact CB-CD1 3.88Å; A127-I158 HydrophobicContact CB-CG1 4.37Å; I158-V179 HydrophobicContact CB-CG1 4.4Å; I158-V179 HydrophobicContact CG2-CG1 3.99Å; I158-L197 HydrophobicContact CG2-CD1 4.39Å; I158-L197 HydrophobicContact CG2-CD2 4.25Å; I158-S198 WeakPolarHBondContact CA-O 3.31Å; I158-F199 HydrophobicContact CD1-CE1 3.91Å; I158-F199 HydrophobicContact CG1-CD1 3.93Å; I158-F199 HydrophobicContact CG1-CE1 3.67Å; I158-T216 HydrophobicContact CD1-CG2 3.82Å
159	R	96.6	Very high	94	Very high	27 Å²	27	66.3 Å²	66.3	10%	0.102	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	156.3	171.7	-68	-176.4	177.1	174.1	-3.2	110.7	D149 N153 Y168 L197 S198 M200	D149-R159 IonicContact OD1-CZ 3.24Å; D149-R159 IonicContact OD1-NH1 3.52Å; D149-R159 PolarHBondContact OD1-NH1 2.76Å; D149-R159 IonicContact OD1-NH2 2.75Å; D149-R159 PolarHBondContact OD1-NH2 2.83Å; D149-R159 VanDerWaalsContact OD1-NH2 3.08Å; D149-R159 IonicContact OD2-CZ 2.89Å; D149-R159 IonicContact OD2-NH1 2.86Å; D149-R159 PolarHBondContact OD2-NH1 3.22Å; D149-R159 IonicContact OD2-NH2 3.77Å; D149-R159 PolarHBondContact OD2-NH2 2.88Å; N153-R159 PolarHBondContact O-NH2 3.33Å; R159-Y168 HydrophobicContact CB-CE1 4.38Å; R159-Y168 HydrophobicContact CG-CE1 3.99Å; R159-L197 CarbonylContact O-C 3.49Å; R159-L197 WeakPolarHBondContact O-CA 3.06Å; R159-S198 WeakPolarHBondContact CB-OG 3.38Å; R159-S198 PolarHBondContact N-O 3.43Å; R159-S198 PolarHBondContact O-N 3.26Å; R159-M200 HydrophobicContact CB-CG 4.48Å; R159-M200 HydrophobicContact CG-CG 3.87Å
160	V	96.9	Very high	94.1	Very high	13 Å²	13	69.3 Å²	69.3	8%	0.079	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.2	172.7	176.8	0	0	0	0	107.5	A166 Y168 V179 V181 L196 L197	V160-A166 HydrophobicContact CB-CB 3.9Å; V160-A166 HydrophobicContact CG1-CB 4.27Å; V160-Y168 PolarHBondContact N-OH 3.28Å; V160-V179 HydrophobicContact CB-CG2 4.33Å; V160-V179 HydrophobicContact CG2-CB 4.45Å; V160-V179 HydrophobicContact CG2-CG1 3.9Å; V160-V179 HydrophobicContact CG2-CG2 3.66Å; V160-V181 HydrophobicContact CG1-CB 4.48Å; V160-L196 WeakPolarHBondContact CA-O 3.33Å; V160-L197 HydrophobicContact CG2-CD2 3.85Å
161	E	94.5	Very high	94.2	Very high	73 Å²	73	63.2 Å²	63.2	34%	0.341	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	155.5	175.6	-56.8	-61.9	158.3	0	0	110.1	T106 S163 L196 S198	T106-E161 HydrophobicContact CG2-CB 4.25Å; T106-E161 HydrophobicContact CG2-CG 4.41Å; E161-S163 PolarHBondContact O-N 2.82Å; E161-S163 VanDerWaalsContact O-N 3.12Å; E161-L196 HydrophobicContact CB-CB 4.07Å; E161-L196 PolarHBondContact N-O 2.88Å; E161-L196 WeakPolarHBondContact O-CB 3.45Å; E161-S198 PolarHBondContact OE1-OG 2.87Å
162	G	90.7	Very high	94.1	Very high	84 Å²	84	65.9 Å²	65.9	87%	0.866	36%	0.355	S	S	*	.	S	Bend	trans	74.9	-5.5	172.9	0	0	0	0	0	116.2
163	S	90.8	Very high	94.1	Very high	28 Å²	28	64.2 Å²	64.2	20%	0.196	35%	0.346	C	S	.	.			trans	-120.6	124.5	172.1	-175.8	0	0	0	0	111.1	E161 L165 V181	E161-S163 PolarHBondContact O-N 2.82Å; E161-S163 VanDerWaalsContact O-N 3.12Å; S163-L165 PolarHBondContact OG-N 2.93Å; S163-V181 WeakPolarHBondContact OG-CG2 3.44Å
164	Q	91.9	Very high	94	Very high	201 Å²	201	63.2 Å²	63.2	94%	0.939	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.7	172.9	-61.6	179.7	30.7	0	0	112.3	A166	Q164-A166 VanDerWaalsContact C-N 3.25Å
165	L	94.6	Very high	93.9	Very high	104 Å²	104	65.2 Å²	65.2	55%	0.545	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5.6	178.8	-56.8	178.2	0	0	0	112.2	S163 Q167 P182	S163-L165 PolarHBondContact OG-N 2.93Å; L165-Q167 PolarHBondContact O-N 2.92Å; L165-P182 HydrophobicContact CB-CG 3.9Å; L165-P182 HydrophobicContact CD1-CG 4.09Å
166	A	96.2	Very high	93.9	Very high	20 Å²	20	64.6 Å²	64.6	17%	0.165	34%	0.339	C	S	.	.			trans	-67.1	125.9	177.7	0	0	0	0	0	110.8	V160 Q164 Y168 V179 T180	V160-A166 HydrophobicContact CB-CB 3.9Å; V160-A166 HydrophobicContact CG1-CB 4.27Å; Q164-A166 VanDerWaalsContact C-N 3.25Å; A166-Y168 HydrophobicContact CB-CE2 4.22Å; A166-V179 HydrophobicContact CB-CG2 4.34Å; A166-T180 CarbonylContact C-O 3.53Å; A166-T180 VanDerWaalsContact CA-O 3.27Å; A166-T180 WeakPolarHBondContact CA-O 3.37Å
167	Q	96.4	Very high	93.9	Very high	113 Å²	113	65.5 Å²	65.5	53%	0.528	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.4	178.7	-67.8	179.8	-13.2	0	0	110.5	L165 F169 V179 T180	L165-Q167 PolarHBondContact O-N 2.92Å; Q167-F169 HydrophobicContact CB-CD2 4.38Å; Q167-F169 HydrophobicContact CB-CE2 3.46Å; Q167-F169 VanDerWaalsContact CB-CE2 3.46Å; Q167-F169 HydrophobicContact CB-CZ 3.81Å; Q167-V179 CarbonylContact O-C 3.54Å; Q167-V179 VanDerWaalsContact O-CA 3.3Å; Q167-V179 WeakPolarHBondContact O-CA 3.48Å; Q167-T180 PolarHBondContact N-O 2.75Å; Q167-T180 PolarHBondContact O-N 3.4Å
168	Y	96.9	Very high	93.9	Very high	52 Å²	52	65.9 Å²	65.9	20%	0.204	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.1	-174.8	-67.3	-91.4	0	0	0	109.4	N153 H156 R159 V160 A166 V179	N153-Y168 HydrophobicContact CB-CD1 4Å; N153-Y168 HydrophobicContact CB-CD2 4.22Å; N153-Y168 HydrophobicContact CB-CE1 4.19Å; N153-Y168 HydrophobicContact CB-CE2 4.41Å; N153-Y168 HydrophobicContact CB-CG 4Å; N153-Y168 VanDerWaalsContact CG-CG 3.43Å; N153-Y168 WeakPolarHBondContact ND2-CD2 3.46Å; N153-Y168 VanDerWaalsContact ND2-CE2 3.33Å; N153-Y168 WeakPolarHBondContact ND2-CE2 3.4Å; N153-Y168 VanDerWaalsContact OD1-CB 3.29Å; N153-Y168 WeakPolarHBondContact OD1-CB 3.37Å; N153-Y168 WeakPolarHBondContact OD1-CD2 3.24Å; H156-Y168 HydrophobicContact CB-CD1 3.98Å; H156-Y168 HydrophobicContact CB-CE1 4.31Å; H156-Y168 AromaticContact CG-CD1 3.63Å; H156-Y168 AromaticContact ND1-CD1 3.56Å; R159-Y168 HydrophobicContact CB-CE1 4.38Å; R159-Y168 HydrophobicContact CG-CE1 3.99Å; V160-Y168 PolarHBondContact N-OH 3.28Å; A166-Y168 HydrophobicContact CB-CE2 4.22Å; Y168-V179 HydrophobicContact CD1-CB 3.92Å; Y168-V179 HydrophobicContact CD1-CG2 3.81Å; Y168-V179 HydrophobicContact CD2-CG2 4.49Å; Y168-V179 HydrophobicContact CE1-CB 3.96Å; Y168-V179 HydrophobicContact CE1-CG2 3.6Å; Y168-V179 HydrophobicContact CE2-CG2 4.3Å; Y168-V179 HydrophobicContact CG-CG2 4.27Å
169	F	95.4	Very high	93.8	Very high	79 Å²	79	65.5 Å²	65.5	35%	0.346	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.4	-175.6	-62.7	-87.7	0	0	0	111.7	H156 Q167 H177 S178 T180	H156-F169 PolarHBondContact CE1-N 3.12Å; H156-F169 PolarHBondContact CE1-O 2.9Å; H156-F169 VanDerWaalsContact CE1-O 3.29Å; Q167-F169 HydrophobicContact CB-CD2 4.38Å; Q167-F169 HydrophobicContact CB-CE2 3.46Å; Q167-F169 VanDerWaalsContact CB-CE2 3.46Å; Q167-F169 HydrophobicContact CB-CZ 3.81Å; F169-H177 CarbonylContact O-C 3.57Å; F169-H177 WeakPolarHBondContact O-CA 3.08Å; F169-S178 PolarHBondContact N-O 2.74Å; F169-S178 PolarHBondContact O-N 2.99Å; F169-T180 HydrophobicContact CD2-CG2 3.94Å; F169-T180 HydrophobicContact CE2-CG2 3.74Å; F169-T180 WeakPolarHBondContact CE2-OG1 3.3Å
170	E	94.8	Very high	93.9	Very high	88 Å²	88	64.4 Å²	64.4	41%	0.411	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.4	163.3	-172.6	-175.6	146	0	0	108.2	P172 R175 R176	E170-P172 WeakPolarHBondContact O-CD 3.42Å; E170-R175 WeakPolarHBondContact OE1-CD 3.49Å; E170-R175 IonicContact OE1-CZ 3.78Å; E170-R175 IonicContact OE1-NE 2.85Å; E170-R175 IonicContact OE1-NH1 3.71Å; E170-R175 PolarHBondContact OE1-NH1 2.83Å; E170-R176 WeakPolarHBondContact CA-O 3.5Å
171	D	91.7	Very high	93.9	Very high	42 Å²	42	64.3 Å²	64.3	23%	0.225	34%	0.341	C	S	.	.			trans	-65.6	123.8	177.7	-177.2	-79.5	0	0	0	110.2	N173 T174 R175 R176	D171-N173 VanDerWaalsContact C-N 3.25Å; D171-N173 PolarHBondContact O-N 3.07Å; D171-N173 PolarHBondContact OD1-N 3.28Å; D171-T174 VanDerWaalsContact CB-OG1 3.27Å; D171-T174 WeakPolarHBondContact CB-OG1 3.36Å; D171-T174 PolarHBondContact OD1-N 3.41Å; D171-T174 PolarHBondContact OD1-OG1 3.05Å; D171-R175 WeakPolarHBondContact O-CA 3.49Å; D171-R175 PolarHBondContact O-N 2.81Å; D171-R176 HydrophobicContact CB-CB 4.43Å; D171-R176 PolarHBondContact N-O 2.85Å
172	P	89.9	Confident	94	Very high	100 Å²	100	63.1 Å²	63.1	65%	0.649	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.6	-175.2	-26.2	35	0	0	0	114.4	E170	E170-P172 WeakPolarHBondContact O-CD 3.42Å
173	N	88.6	Confident	94.2	Very high	122 Å²	122	60.4 Å²	60.4	65%	0.652	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-49.7	-173.2	-63.3	-42.7	0	0	0	111.4	D171	D171-N173 VanDerWaalsContact C-N 3.25Å; D171-N173 PolarHBondContact O-N 3.07Å; D171-N173 PolarHBondContact OD1-N 3.28Å
174	T	89.5	Confident	94.3	Very high	23 Å²	23	64.2 Å²	64.2	14%	0.141	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-10.5	-175.3	65.2	0	0	0	0	113.1	V138 D171 R176	V138-T174 WeakPolarHBondContact CG2-O 3.11Å; D171-T174 VanDerWaalsContact CB-OG1 3.27Å; D171-T174 WeakPolarHBondContact CB-OG1 3.36Å; D171-T174 PolarHBondContact OD1-N 3.41Å; D171-T174 PolarHBondContact OD1-OG1 3.05Å; T174-R176 PolarHBondContact O-N 2.72Å; T174-R176 VanDerWaalsContact O-N 3.12Å; T174-R176 WeakPolarHBondContact OG1-CG 3.3Å
175	R	92	Very high	94.3	Very high	145 Å²	145	61.9 Å²	61.9	55%	0.547	30%	0.3	S	S	.	.			trans	57.6	20.7	-175.5	-59.5	-65.7	-171.3	169.4	-1.9	113.4	V138 E170 D171	V138-R175 VanDerWaalsContact CG1-O 3.27Å; V138-R175 WeakPolarHBondContact CG1-O 3.27Å; V138-R175 HydrophobicContact CG2-CB 4.13Å; E170-R175 WeakPolarHBondContact OE1-CD 3.49Å; E170-R175 IonicContact OE1-CZ 3.78Å; E170-R175 IonicContact OE1-NE 2.85Å; E170-R175 IonicContact OE1-NH1 3.71Å; E170-R175 PolarHBondContact OE1-NH1 2.83Å; D171-R175 WeakPolarHBondContact O-CA 3.49Å; D171-R175 PolarHBondContact O-N 2.81Å
176	R	93.8	Very high	94.2	Very high	18 Å²	18	58.7 Å²	58.7	7%	0.068	29%	0.286	C	S	.	.			trans	-79.1	136.3	-179.3	-71.1	-176.8	-168.4	-73.8	-2.9	110.4	T62 V135 E137 V138 E170 D171 T174	T62-R176 PolarHBondContact O-NH2 3.28Å; V135-R176 PolarHBondContact O-NH2 3.44Å; E137-R176 PolarHBondContact O-NH1 2.84Å; V138-R176 HydrophobicContact CG2-CG 4.13Å; E170-R176 WeakPolarHBondContact CA-O 3.5Å; D171-R176 HydrophobicContact CB-CB 4.43Å; D171-R176 PolarHBondContact N-O 2.85Å; T174-R176 PolarHBondContact O-N 2.72Å; T174-R176 VanDerWaalsContact O-N 3.12Å; T174-R176 WeakPolarHBondContact OG1-CG 3.3Å
177	H	95.8	Very high	93.9	Very high	29 Å²	29	65.7 Å²	65.7	13%	0.134	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.5	173.2	-55	102.2	0	0	0	109.8	H156 F169	H156-H177 AromaticContact NE2-CD2 3.83Å; F169-H177 CarbonylContact O-C 3.57Å; F169-H177 WeakPolarHBondContact O-CA 3.08Å
178	S	96.5	Very high	93.5	Very high	13 Å²	13	69.2 Å²	69.2	9%	0.091	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.6	169.5	62.6	0	0	0	0	110.2	R124 A125 T126 H156 F169	R124-S178 PolarHBondContact NH1-OG 3.37Å; A125-S178 VanDerWaalsContact O-CA 3.3Å; A125-S178 WeakPolarHBondContact O-CA 3.27Å; T126-S178 WeakPolarHBondContact OG1-CB 3.43Å; H156-S178 PolarHBondContact CE1-O 3.39Å; H156-S178 VanDerWaalsContact CE1-O 3.28Å; H156-S178 PolarHBondContact ND1-O 3.28Å; F169-S178 PolarHBondContact N-O 2.74Å; F169-S178 PolarHBondContact O-N 2.99Å
179	V	97.1	Very high	93.2	Very high	1 Å²	1	71 Å²	71	1%	0.006	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.3	172.8	58.2	0	0	0	0	108.2	R124 A125 I158 V160 A166 Q167 Y168	R124-V179 CarbonylContact C-O 3.58Å; R124-V179 WeakPolarHBondContact CA-O 3.36Å; A125-V179 HydrophobicContact CB-CG1 3.88Å; A125-V179 PolarHBondContact N-O 2.91Å; A125-V179 PolarHBondContact O-N 3.15Å; A125-V179 VanDerWaalsContact O-N 3.07Å; I158-V179 HydrophobicContact CB-CG1 4.4Å; I158-V179 HydrophobicContact CG2-CG1 3.99Å; V160-V179 HydrophobicContact CB-CG2 4.33Å; V160-V179 HydrophobicContact CG2-CB 4.45Å; V160-V179 HydrophobicContact CG2-CG1 3.9Å; V160-V179 HydrophobicContact CG2-CG2 3.66Å; A166-V179 HydrophobicContact CB-CG2 4.34Å; Q167-V179 CarbonylContact O-C 3.54Å; Q167-V179 VanDerWaalsContact O-CA 3.3Å; Q167-V179 WeakPolarHBondContact O-CA 3.48Å; Y168-V179 HydrophobicContact CD1-CB 3.92Å; Y168-V179 HydrophobicContact CD1-CG2 3.81Å; Y168-V179 HydrophobicContact CD2-CG2 4.49Å; Y168-V179 HydrophobicContact CE1-CB 3.96Å; Y168-V179 HydrophobicContact CE1-CG2 3.6Å; Y168-V179 HydrophobicContact CE2-CG2 4.3Å; Y168-V179 HydrophobicContact CG-CG2 4.27Å
180	T	97.2	Very high	92.9	Very high	5 Å²	5	69.6 Å²	69.6	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	152.9	174.6	70.4	0	0	0	0	110.9	I123 R124 A166 Q167 F169	I123-T180 CarbonylContact O-C 3.46Å; I123-T180 WeakPolarHBondContact O-CA 3.1Å; R124-T180 HydrophobicContact CB-CG2 3.92Å; R124-T180 HydrophobicContact CG-CG2 3.92Å; R124-T180 VanDerWaalsContact CZ-CG2 3.44Å; A166-T180 CarbonylContact C-O 3.53Å; A166-T180 VanDerWaalsContact CA-O 3.27Å; A166-T180 WeakPolarHBondContact CA-O 3.37Å; Q167-T180 PolarHBondContact N-O 2.75Å; Q167-T180 PolarHBondContact O-N 3.4Å; F169-T180 HydrophobicContact CD2-CG2 3.94Å; F169-T180 HydrophobicContact CE2-CG2 3.74Å; F169-T180 WeakPolarHBondContact CE2-OG1 3.3Å
181	V	96.8	Very high	92.7	Very high	11 Å²	11	71.6 Å²	71.6	7%	0.067	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.8	167.6	62.1	0	0	0	0	107.8	V122 I123 V160 S163 Y183 I195	V122-V181 WeakPolarHBondContact CA-O 3.49Å; I123-V181 HydrophobicContact CB-CG1 4.03Å; I123-V181 PolarHBondContact N-O 3.1Å; I123-V181 PolarHBondContact O-N 2.86Å; V160-V181 HydrophobicContact CG1-CB 4.48Å; S163-V181 WeakPolarHBondContact OG-CG2 3.44Å; V181-Y183 PolarHBondContact O-N 2.87Å; V181-I195 HydrophobicContact CG1-CG2 4.35Å
182	P	96.4	Very high	92.7	Very high	47 Å²	47	71.3 Å²	71.3	31%	0.305	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	139.4	172.1	-27.1	36.7	0	0	0	111.3	L165 E184	L165-P182 HydrophobicContact CB-CG 3.9Å; L165-P182 HydrophobicContact CD1-CG 4.09Å; P182-E184 PolarHBondContact O-N 3.05Å
183	Y	95.4	Very high	92.9	Very high	27 Å²	27	67.3 Å²	67.3	11%	0.106	35%	0.351	C	S	.	.			trans	-67.7	123.6	170.9	174.6	-97.6	0	0	0	108.9	V111 V113 E116 P117 A121 I123 V181 R185 L220	V111-Y183 HydrophobicContact CG1-CE2 4.39Å; V113-Y183 HydrophobicContact CG2-CE2 3.67Å; E116-Y183 WeakPolarHBondContact OE1-CE1 3.42Å; P117-Y183 HydrophobicContact CG-CD1 3.45Å; P117-Y183 VanDerWaalsContact CG-CD1 3.45Å; P117-Y183 HydrophobicContact CG-CD2 4.44Å; P117-Y183 HydrophobicContact CG-CE1 3.5Å; P117-Y183 HydrophobicContact CG-CE2 4.5Å; P117-Y183 HydrophobicContact CG-CG 3.95Å; A121-Y183 VanDerWaalsContact O-CB 3.27Å; A121-Y183 WeakPolarHBondContact O-CB 3.2Å; A121-Y183 PolarHBondContact O-N 3.03Å; I123-Y183 HydrophobicContact CD1-CD2 4.06Å; I123-Y183 HydrophobicContact CG1-CD2 4.28Å; V181-Y183 PolarHBondContact O-N 2.87Å; Y183-R185 HydrophobicContact CE1-CG 4.34Å; Y183-L220 HydrophobicContact CD2-CD1 4.11Å; Y183-L220 HydrophobicContact CG-CD1 4.31Å
184	E	93.4	Very high	93.2	Very high	108 Å²	108	65 Å²	65	51%	0.505	34%	0.342	S	S	.	.			trans	-106.4	137.9	173.3	-66.5	-179.9	-177.7	0	0	109	P182 T193	P182-E184 PolarHBondContact O-N 3.05Å; E184-T193 HydrophobicContact CB-CG2 4.16Å; E184-T193 WeakPolarHBondContact O-CB 3.41Å; E184-T193 VanDerWaalsContact O-CG2 3.27Å; E184-T193 WeakPolarHBondContact O-CG2 3.45Å; E184-T193 PolarHBondContact O-OG1 2.71Å
185	R	91.3	Very high	93.6	Very high	153 Å²	153	64.5 Å²	64.5	58%	0.577	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-63.5	146.6	174.9	-73	-176.9	-177.6	115.9	16.5	110.8	E116 Y183 Q187	E116-R185 WeakPolarHBondContact OE1-CD 3.39Å; E116-R185 WeakPolarHBondContact OE1-CG 3.27Å; E116-R185 IonicContact OE1-CZ 3.33Å; E116-R185 IonicContact OE1-NE 2.68Å; E116-R185 PolarHBondContact OE1-NE 2.83Å; E116-R185 IonicContact OE1-NH2 3.18Å; E116-R185 PolarHBondContact OE1-NH2 2.9Å; E116-R185 IonicContact OE2-NE 3.66Å; Y183-R185 HydrophobicContact CE1-CG 4.34Å; R185-Q187 PolarHBondContact O-N 2.79Å
186	P	92.7	Very high	93.8	Very high	37 Å²	37	60.3 Å²	60.3	24%	0.24	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-53.4	139.1	169.5	-25.4	34.4	0	0	0	110.8	S190 T193	P186-S190 WeakPolarHBondContact CB-O 3.4Å; P186-T193 WeakPolarHBondContact CD-OG1 3.49Å; P186-T193 VanDerWaalsContact N-OG1 3.13Å
187	Q	90.5	Very high	94	Very high	166 Å²	166	59.5 Å²	59.5	78%	0.776	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-63.4	153	174.8	-63.6	-179.7	27.5	0	0	110.1	R185 G189 S190	R185-Q187 PolarHBondContact O-N 2.79Å; Q187-G189 PolarHBondContact O-N 3.26Å; Q187-G189 VanDerWaalsContact O-N 3.13Å; Q187-S190 WeakPolarHBondContact O-CB 3.2Å; Q187-S190 PolarHBondContact O-N 2.88Å
188	L	88.3	Confident	94	Very high	187 Å²	187	58.1 Å²	58.1	98%	0.979	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	122.3	178.1	-68.1	174.3	0	0	0	110.7
189	G	89.2	Confident	94.1	Very high	89 Å²	89	57.5 Å²	57.5	92%	0.918	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	-2.8	-176.9	0	0	0	0	0	115.2	Q187	Q187-G189 PolarHBondContact O-N 3.26Å; Q187-G189 VanDerWaalsContact O-N 3.13Å
190	S	90.9	Very high	94.1	Very high	50 Å²	50	58.5 Å²	58.5	35%	0.35	32%	0.317	S	S	.	.			trans	-106.5	139.1	168.5	-175.7	0	0	0	0	110.2	P186 Q187 M192	P186-S190 WeakPolarHBondContact CB-O 3.4Å; Q187-S190 WeakPolarHBondContact O-CB 3.2Å; Q187-S190 PolarHBondContact O-N 2.88Å; S190-M192 PolarHBondContact OG-N 2.72Å; S190-M192 PolarHBondContact OG-O 3.09Å
191	E	89.7	Confident	94.1	Very high	131 Å²	131	58.3 Å²	58.3	61%	0.612	32%	0.316	S	S	*	.	S	Bend	trans	-84.5	-10.2	171.9	62.6	-83.4	-172.4	0	0	113.7
192	M	92.6	Very high	94.1	Very high	36 Å²	36	59.5 Å²	59.5	18%	0.177	32%	0.322	C	S	.	.	S	Bend	trans	-137.9	156.3	-174.2	64	166.4	164	0	0	113.8	E78 G110 V111 L112 S190	E78-M192 HydrophobicContact CB-SD 4.28Å; E78-M192 VanDerWaalsContact OE2-SD 3.33Å; G110-M192 VanDerWaalsContact CA-SD 3.56Å; V111-M192 WeakPolarHBondContact O-CA 3.33Å; L112-M192 HydrophobicContact CD1-CB 3.99Å; L112-M192 HydrophobicContact CD1-SD 4.31Å; L112-M192 HydrophobicContact CG-CB 3.92Å; S190-M192 PolarHBondContact OG-N 2.72Å; S190-M192 PolarHBondContact OG-O 3.09Å
193	T	94.1	Very high	94.2	Very high	15 Å²	15	58.1 Å²	58.1	9%	0.092	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130	171.4	-58	0	0	0	0	109.2	V111 E184 P186	V111-T193 WeakPolarHBondContact CB-O 3.27Å; V111-T193 PolarHBondContact N-O 3.38Å; V111-T193 PolarHBondContact O-N 3.15Å; E184-T193 HydrophobicContact CB-CG2 4.16Å; E184-T193 WeakPolarHBondContact O-CB 3.41Å; E184-T193 VanDerWaalsContact O-CG2 3.27Å; E184-T193 WeakPolarHBondContact O-CG2 3.45Å; E184-T193 PolarHBondContact O-OG1 2.71Å; P186-T193 WeakPolarHBondContact CD-OG1 3.49Å; P186-T193 VanDerWaalsContact N-OG1 3.13Å
194	T	94.8	Very high	94.2	Very high	74 Å²	74	59.7 Å²	59.7	45%	0.454	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.3	-179.8	-60.3	0	0	0	0	110.7	P108 I109 L196	P108-T194 HydrophobicContact CB-CG2 3.62Å; I109-T194 WeakPolarHBondContact O-CA 3.24Å; T194-L196 HydrophobicContact CG2-CD2 3.91Å
195	I	96	Very high	94.4	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.062	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	143.8	166.8	65.4	173.1	0	0	0	109.8	P108 I109 V111 I123 V181 L197 L218	P108-I195 CarbonylContact C-O 3.55Å; P108-I195 WeakPolarHBondContact CA-O 3.19Å; I109-I195 HydrophobicContact CB-CD1 4.43Å; I109-I195 HydrophobicContact CB-CG1 3.89Å; I109-I195 PolarHBondContact N-O 2.85Å; I109-I195 WeakPolarHBondContact O-CG1 3.24Å; I109-I195 PolarHBondContact O-N 2.88Å; V111-I195 HydrophobicContact CG2-CD1 4.09Å; V111-I195 HydrophobicContact CG2-CG1 4.06Å; V111-I195 HydrophobicContact CG2-CG2 4.04Å; I123-I195 HydrophobicContact CD1-CG2 3.89Å; I123-I195 HydrophobicContact CG2-CD1 4.28Å; V181-I195 HydrophobicContact CG1-CG2 4.35Å; I195-L197 HydrophobicContact CD1-CD1 4.35Å; I195-L197 HydrophobicContact CD1-CD2 4.21Å; I195-L197 HydrophobicContact CD1-CG 4.21Å; I195-L197 HydrophobicContact CG1-CG 4.44Å; I195-L218 HydrophobicContact CD1-CD1 3.76Å; I195-L218 HydrophobicContact CD1-CD2 4.06Å
196	L	96.9	Very high	94.6	Very high	57 Å²	57	54.7 Å²	54.7	30%	0.298	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	98.3	-175.8	-63	-175.3	0	0	0	109.3	T106 P108 V160 E161 T194	T106-L196 HydrophobicContact CG2-CB 3.57Å; T106-L196 HydrophobicContact CG2-CD1 4.09Å; T106-L196 HydrophobicContact CG2-CD2 3.86Å; T106-L196 HydrophobicContact CG2-CG 4.04Å; P108-L196 HydrophobicContact CB-CD2 3.91Å; V160-L196 WeakPolarHBondContact CA-O 3.33Å; E161-L196 HydrophobicContact CB-CB 4.07Å; E161-L196 PolarHBondContact N-O 2.88Å; E161-L196 WeakPolarHBondContact O-CB 3.45Å; T194-L196 HydrophobicContact CG2-CD2 3.91Å
197	L	97.8	Very high	94.6	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.4	179.6	-60.1	-170.3	0	0	0	111.6	T107 I109 A125 I158 R159 V160 I195 F199 L218	T107-L197 WeakPolarHBondContact CA-O 3.45Å; T107-L197 WeakPolarHBondContact CB-O 3.45Å; T107-L197 PolarHBondContact N-O 3.34Å; T107-L197 PolarHBondContact O-N 3.1Å; I109-L197 HydrophobicContact CD1-CB 4.45Å; I109-L197 HydrophobicContact CD1-CD1 3.55Å; I109-L197 HydrophobicContact CD1-CG 4.04Å; A125-L197 HydrophobicContact CB-CD1 4.43Å; I158-L197 HydrophobicContact CG2-CD1 4.39Å; I158-L197 HydrophobicContact CG2-CD2 4.25Å; R159-L197 CarbonylContact O-C 3.49Å; R159-L197 WeakPolarHBondContact O-CA 3.06Å; V160-L197 HydrophobicContact CG2-CD2 3.85Å; I195-L197 HydrophobicContact CD1-CD1 4.35Å; I195-L197 HydrophobicContact CD1-CD2 4.21Å; I195-L197 HydrophobicContact CD1-CG 4.21Å; I195-L197 HydrophobicContact CG1-CG 4.44Å; L197-F199 HydrophobicContact CB-CE2 4.46Å; L197-L218 HydrophobicContact CD1-CD2 4.2Å
198	S	96.9	Very high	94.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	139.6	170.4	65	0	0	0	0	110.4	I158 R159 E161	I158-S198 WeakPolarHBondContact CA-O 3.31Å; R159-S198 WeakPolarHBondContact CB-OG 3.38Å; R159-S198 PolarHBondContact N-O 3.43Å; R159-S198 PolarHBondContact O-N 3.26Å; E161-S198 PolarHBondContact OE1-OG 2.87Å
199	F	98	Very high	95.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.6	179.9	-65.7	-94	0	0	0	110.3	L99 C101 A104 I158 L197 T216 V235 V237	L99-F199 HydrophobicContact CD2-CE2 4.27Å; C101-F199 VanDerWaalsContact SG-CD2 3.54Å; A104-F199 PolarHBondContact N-O 2.99Å; I158-F199 HydrophobicContact CD1-CE1 3.91Å; I158-F199 HydrophobicContact CG1-CD1 3.93Å; I158-F199 HydrophobicContact CG1-CE1 3.67Å; L197-F199 HydrophobicContact CB-CE2 4.46Å; F199-T216 WeakPolarHBondContact CE1-OG1 3.44Å; F199-V235 HydrophobicContact CD1-CG1 4.15Å; F199-V235 HydrophobicContact CD2-CG1 4.22Å; F199-V235 HydrophobicContact CE1-CB 4.28Å; F199-V235 HydrophobicContact CE1-CG1 3.82Å; F199-V235 HydrophobicContact CE1-CG2 4.19Å; F199-V235 HydrophobicContact CE2-CG1 3.91Å; F199-V235 HydrophobicContact CG-CG1 4.35Å; F199-V235 HydrophobicContact CZ-CB 4.26Å; F199-V235 HydrophobicContact CZ-CG1 3.72Å; F199-V235 HydrophobicContact CZ-CG2 3.82Å; F199-V237 HydrophobicContact CB-CG1 4.31Å; F199-V237 HydrophobicContact CB-CG2 3.44Å; F199-V237 VanDerWaalsContact CB-CG2 3.44Å; F199-V237 HydrophobicContact CD1-CG2 4.22Å; F199-V237 HydrophobicContact CG-CG2 3.84Å
200	M	97	Very high	95.4	Very high	22 Å²	22	38 Å²	38	11%	0.108	22%	0.223	C	C	.	.			trans	-99.5	12.3	-163.3	-55.3	-55.2	-65.1	0	0	114.5	A104 R141 L157 R159	A104-M200 HydrophobicContact CB-CE 3.77Å; A104-M200 HydrophobicContact CB-SD 3.84Å; R141-M200 PolarHBondContact NE-O 2.88Å; R141-M200 PolarHBondContact NH2-O 3.11Å; L157-M200 PolarHBondContact O-N 2.98Å; R159-M200 HydrophobicContact CB-CG 4.48Å; R159-M200 HydrophobicContact CG-CG 3.87Å
201	C	97.5	Very high	95.6	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	24%	0.241	C	C	.	.	S	Bend	trans	-144	147.9	168.3	-75.3	0	0	0	0	111.2	L103 C142 L157 C205 M209 V237	L103-C201 VanDerWaalsContact CD1-C 3.43Å; C142-C201 PolarHBondContact N-SG 2.89Å; C142-C201 VanDerWaalsContact N-SG 3.37Å; L157-C201 HydrophobicContact CD1-CB 3.62Å; C201-C205 HydrophobicContact CB-CB 4.47Å; C201-M209 HydrophobicContact CB-CE 4.16Å; C201-M209 VanDerWaalsContact O-CE 3.26Å; C201-M209 WeakPolarHBondContact O-CE 3.38Å; C201-V237 WeakPolarHBondContact O-CB 3.41Å; C201-V237 WeakPolarHBondContact O-CG1 3.48Å
202	N	97.7	Very high	95.9	Very high	37 Å²	37	41.1 Å²	41.1	20%	0.198	22%	0.221	C	C	.	.			trans	-71.9	148.9	170.1	-71.6	-55.4	0	0	0	110.3	S204 C205 M209	N202-S204 PolarHBondContact O-N 3.22Å; N202-C205 PolarHBondContact N-SG 2.75Å; N202-C205 VanDerWaalsContact O-CB 3.32Å; N202-C205 WeakPolarHBondContact O-CB 2.91Å; N202-C205 PolarHBondContact O-N 2.88Å; N202-C205 PolarHBondContact O-SG 3.19Å; N202-M209 WeakPolarHBondContact O-CE 3.36Å
203	S	97	Very high	96.1	Very high	17 Å²	17	41.3 Å²	41.3	12%	0.119	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.7	175.8	-47.2	0	0	0	0	111.8	M209 R211 V237	S203-M209 WeakPolarHBondContact O-CB 3.41Å; S203-R211 VanDerWaalsContact O-CA 3.27Å; S203-R211 WeakPolarHBondContact O-CA 3.16Å; S203-R211 PolarHBondContact O-N 3.21Å; S203-V237 WeakPolarHBondContact CB-O 3.44Å; S203-V237 PolarHBondContact N-O 3.33Å; S203-V237 PolarHBondContact OG-N 3.19Å; S203-V237 PolarHBondContact OG-O 3.18Å
204	S	96.6	Very high	96.2	Very high	61 Å²	61	40.7 Å²	40.7	43%	0.427	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.3	-179.8	57.9	0	0	0	0	115.2	N202 M206	N202-S204 PolarHBondContact O-N 3.22Å; S204-M206 PolarHBondContact O-N 3.24Å
205	C	96.4	Very high	96.3	Very high	16 Å²	16	38.1 Å²	38.1	11%	0.108	21%	0.205	C	C	.	.			trans	-62.5	124.6	-176.1	-75.4	0	0	0	0	111.7	C142 H145 C201 N202 G208 N210	C142-C205 HydrophobicContact CB-CB 3.75Å; H145-C205 PolarHBondContact CE1-SG 3.15Å; C201-C205 HydrophobicContact CB-CB 4.47Å; N202-C205 PolarHBondContact N-SG 2.75Å; N202-C205 VanDerWaalsContact O-CB 3.32Å; N202-C205 WeakPolarHBondContact O-CB 2.91Å; N202-C205 PolarHBondContact O-N 2.88Å; N202-C205 PolarHBondContact O-SG 3.19Å; C205-G208 PolarHBondContact O-N 3.1Å; C205-N210 WeakPolarHBondContact O-CA 3.44Å; C205-N210 PolarHBondContact O-N 3.18Å
206	M	95.5	Very high	96.4	Very high	140 Å²	140	37.6 Å²	37.6	69%	0.69	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	141.7	172.9	-170.8	61.6	73.7	0	0	110.2	C142 S204 G208	C142-M206 WeakPolarHBondContact CB-O 3.46Å; S204-M206 PolarHBondContact O-N 3.24Å; M206-G208 PolarHBondContact O-N 3.04Å
207	G	92.9	Very high	96.4	Very high	53 Å²	53	35.2 Å²	35.2	55%	0.546	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-4.9	-176.8	0	0	0	0	0	115.4
208	G	93.9	Very high	96.4	Very high	5 Å²	5	35.1 Å²	35.1	5%	0.052	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-116.2	171.1	0	0	0	0	0	111.4	Y129 K140 C205 M206 N210	Y129-G208 PolarHBondContact OH-O 3.28Å; K140-G208 VanDerWaalsContact O-CA 3.29Å; K140-G208 WeakPolarHBondContact O-CA 3.36Å; C205-G208 PolarHBondContact O-N 3.1Å; M206-G208 PolarHBondContact O-N 3.04Å; G208-N210 VanDerWaalsContact C-N 3.34Å; G208-N210 PolarHBondContact O-N 2.87Å
209	M	95.5	Very high	96.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-33.8	176.6	-71.9	-177.9	-83.4	0	0	113.6	V139 L157 C201 N202 S203 R211 R212 I214 V237	V139-M209 HydrophobicContact CG1-CG 4Å; L157-M209 HydrophobicContact CD1-CE 4.13Å; L157-M209 HydrophobicContact CD2-CE 4.26Å; L157-M209 HydrophobicContact CD2-SD 4.21Å; C201-M209 HydrophobicContact CB-CE 4.16Å; C201-M209 VanDerWaalsContact O-CE 3.26Å; C201-M209 WeakPolarHBondContact O-CE 3.38Å; N202-M209 WeakPolarHBondContact O-CE 3.36Å; S203-M209 WeakPolarHBondContact O-CB 3.41Å; M209-R211 PolarHBondContact O-N 2.77Å; M209-R212 WeakPolarHBondContact O-CB 3.4Å; M209-R212 VanDerWaalsContact O-CG 3.31Å; M209-R212 WeakPolarHBondContact O-CG 3.5Å; M209-R212 PolarHBondContact O-N 3.21Å; M209-R212 PolarHBondContact O-NE 3.2Å; M209-I214 HydrophobicContact CG-CG2 3.94Å; M209-I214 HydrophobicContact SD-CB 4.45Å; M209-I214 HydrophobicContact SD-CD1 3.59Å; M209-I214 VanDerWaalsContact SD-CD1 3.59Å; M209-I214 HydrophobicContact SD-CG1 3.84Å; M209-I214 HydrophobicContact SD-CG2 3.76Å; M209-V237 HydrophobicContact CE-CG2 4.39Å
210	N	95.6	Very high	96.3	Very high	70 Å²	70	35.5 Å²	35.5	37%	0.374	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	51.9	178.5	-166.9	26.1	0	0	0	114.3	C205 G208 R212	C205-N210 WeakPolarHBondContact O-CA 3.44Å; C205-N210 PolarHBondContact O-N 3.18Å; G208-N210 VanDerWaalsContact C-N 3.34Å; G208-N210 PolarHBondContact O-N 2.87Å; N210-R212 PolarHBondContact O-N 2.9Å; N210-R212 VanDerWaalsContact O-N 3.11Å
211	R	95.3	Very high	96.3	Very high	194 Å²	194	35.2 Å²	35.2	73%	0.732	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	8.7	-178.6	-52.9	174.7	-178.5	-95.9	-0.5	114.9	S203 M209	S203-R211 VanDerWaalsContact O-CA 3.27Å; S203-R211 WeakPolarHBondContact O-CA 3.16Å; S203-R211 PolarHBondContact O-N 3.21Å; M209-R211 PolarHBondContact O-N 2.77Å
212	R	95.8	Very high	96.2	Very high	53 Å²	53	35.8 Å²	35.8	20%	0.2	19%	0.193	C	C	.	.			trans	-79.5	126.9	173.3	-58.2	-177.9	-72.5	177.4	4.3	109.4	Y129 H134 E137 M209 N210	Y129-R212 HydrophobicContact CD1-CB 3.75Å; Y129-R212 HydrophobicContact CE1-CB 3.73Å; Y129-R212 PolarHBondContact OH-NH2 3.37Å; H134-R212 PolarHBondContact CD2-NH1 2.86Å; H134-R212 WeakPolarHBondContact CE1-CD 3.28Å; E137-R212 VanDerWaalsContact CD-NH1 3.25Å; E137-R212 IonicContact OE1-NH1 2.76Å; E137-R212 PolarHBondContact OE1-NH1 3.5Å; E137-R212 VanDerWaalsContact OE1-NH1 3.15Å; E137-R212 IonicContact OE2-CZ 2.72Å; E137-R212 VanDerWaalsContact OE2-CZ 3.27Å; E137-R212 IonicContact OE2-NH1 2.99Å; E137-R212 PolarHBondContact OE2-NH1 2.85Å; E137-R212 IonicContact OE2-NH2 3.35Å; E137-R212 PolarHBondContact OE2-NH2 2.93Å; M209-R212 WeakPolarHBondContact O-CB 3.4Å; M209-R212 VanDerWaalsContact O-CG 3.31Å; M209-R212 WeakPolarHBondContact O-CG 3.5Å; M209-R212 PolarHBondContact O-N 3.21Å; M209-R212 PolarHBondContact O-NE 3.2Å; N210-R212 PolarHBondContact O-N 2.9Å; N210-R212 VanDerWaalsContact O-N 3.11Å
213	P	96.5	Very high	96	Very high	40 Å²	40	38.5 Å²	38.5	26%	0.26	21%	0.211	S	C	.	.			trans	-66.8	141.3	-179.4	26.4	-33.1	0	0	0	110.9	K130 K131	K130-P213 HydrophobicContact CB-CB 4.11Å; K130-P213 HydrophobicContact CB-CG 4.12Å; K130-P213 HydrophobicContact CD-CB 4.37Å; K130-P213 PolarHBondContact N-O 3.24Å; K131-P213 HydrophobicContact CG-CG 4.35Å
214	I	97.1	Very high	95.7	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	150.2	177.7	61.3	160.5	0	0	0	111.1	V128 Y129 V139 L157 M209 E234 V235	V128-I214 CarbonylContact O-C 3.55Å; V128-I214 WeakPolarHBondContact O-CA 3.48Å; V128-I214 WeakPolarHBondContact O-CB 3.39Å; Y129-I214 HydrophobicContact CD1-CG2 3.73Å; Y129-I214 HydrophobicContact CE1-CG2 3.89Å; V139-I214 HydrophobicContact CG1-CG2 4.06Å; V139-I214 HydrophobicContact CG2-CG2 4.04Å; L157-I214 HydrophobicContact CD2-CD1 3.99Å; M209-I214 HydrophobicContact CG-CG2 3.94Å; M209-I214 HydrophobicContact SD-CB 4.45Å; M209-I214 HydrophobicContact SD-CD1 3.59Å; M209-I214 VanDerWaalsContact SD-CD1 3.59Å; M209-I214 HydrophobicContact SD-CG1 3.84Å; M209-I214 HydrophobicContact SD-CG2 3.76Å; I214-E234 WeakPolarHBondContact O-CG 3.25Å; I214-V235 HydrophobicContact CD1-CB 4.29Å; I214-V235 HydrophobicContact CG1-CB 4.28Å; I214-V235 PolarHBondContact O-N 2.89Å
215	L	97	Very high	95.3	Very high	21 Å²	21	43.1 Å²	43.1	11%	0.11	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142	162.6	-57.9	174	0	0	0	108.2	I66 V128 K130 F233 E234	I66-L215 HydrophobicContact CB-CD1 4.07Å; I66-L215 HydrophobicContact CD1-CD1 4.05Å; I66-L215 HydrophobicContact CG2-CD1 4.09Å; V128-L215 HydrophobicContact CG2-CB 3.81Å; V128-L215 PolarHBondContact N-O 3.29Å; V128-L215 PolarHBondContact O-N 3.49Å; K130-L215 HydrophobicContact CB-CD1 4.45Å; K130-L215 HydrophobicContact CB-CD2 4.23Å; K130-L215 HydrophobicContact CB-CG 3.92Å; K130-L215 HydrophobicContact CD-CD2 4.19Å; K130-L215 HydrophobicContact CG-CD1 4.35Å; K130-L215 HydrophobicContact CG-CD2 4.03Å; K130-L215 HydrophobicContact CG-CG 4.1Å; L215-F233 CarbonylContact C-O 3.59Å; L215-F233 WeakPolarHBondContact CA-O 3.31Å; L215-E234 HydrophobicContact CD2-CB 3.97Å
216	T	97.3	Very high	95.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.6	163	-62.1	0	0	0	0	107.9	T126 I158 F199 C232 F233 V235	T126-T216 WeakPolarHBondContact O-CA 3.43Å; I158-T216 HydrophobicContact CD1-CG2 3.82Å; F199-T216 WeakPolarHBondContact CE1-OG1 3.44Å; T216-C232 WeakPolarHBondContact O-CA 3.33Å; T216-F233 HydrophobicContact CG2-CE1 4.17Å; T216-F233 HydrophobicContact CG2-CE2 4.35Å; T216-F233 HydrophobicContact CG2-CZ 3.73Å; T216-F233 PolarHBondContact N-O 3.36Å; T216-F233 PolarHBondContact O-N 3.12Å; T216-F233 VanDerWaalsContact O-N 3.11Å; T216-V235 WeakPolarHBondContact OG1-CG2 3.47Å
217	I	96.6	Very high	95.2	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.036	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.6	174.6	-51.5	-178.7	0	0	0	106.5	P64 I66 A125 T126 V128 T219 R230	P64-I217 HydrophobicContact CB-CD1 4.03Å; P64-I217 HydrophobicContact CG-CD1 4.34Å; I66-I217 HydrophobicContact CG2-CD1 4.13Å; A125-I217 WeakPolarHBondContact CA-O 3.19Å; T126-I217 PolarHBondContact N-O 2.84Å; T126-I217 PolarHBondContact O-N 3.15Å; V128-I217 HydrophobicContact CG1-CD1 3.85Å; V128-I217 HydrophobicContact CG1-CG1 4.49Å; V128-I217 HydrophobicContact CG2-CD1 3.9Å; V128-I217 HydrophobicContact CG2-CG1 4.09Å; I217-T219 HydrophobicContact CG2-CG2 4.06Å; I217-R230 HydrophobicContact CG2-CG 3.69Å
218	L	97.4	Very high	95.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.8	164.9	-69.2	-179.7	0	0	0	108.7	F75 L77 I109 I123 R124 A125 I195 L197 R230 R231 F233	F75-L218 HydrophobicContact CE1-CB 4.45Å; F75-L218 WeakPolarHBondContact CE1-O 3.33Å; F75-L218 HydrophobicContact CZ-CB 4.28Å; L77-L218 HydrophobicContact CD1-CB 4.32Å; L77-L218 HydrophobicContact CD1-CD1 3.75Å; L77-L218 HydrophobicContact CD1-CG 4.43Å; L77-L218 HydrophobicContact CD2-CB 4.48Å; L77-L218 HydrophobicContact CD2-CD1 3.69Å; L77-L218 HydrophobicContact CG-CD1 4.38Å; I109-L218 HydrophobicContact CD1-CD1 4.34Å; I109-L218 HydrophobicContact CG2-CD1 4.12Å; I123-L218 HydrophobicContact CG2-CD2 4.36Å; R124-L218 WeakPolarHBondContact O-CA 3.29Å; A125-L218 HydrophobicContact CB-CD2 3.49Å; A125-L218 VanDerWaalsContact CB-CD2 3.49Å; I195-L218 HydrophobicContact CD1-CD1 3.76Å; I195-L218 HydrophobicContact CD1-CD2 4.06Å; L197-L218 HydrophobicContact CD1-CD2 4.2Å; L218-R230 CarbonylContact O-C 3.58Å; L218-R230 WeakPolarHBondContact O-CA 3.31Å; L218-R231 PolarHBondContact N-O 2.9Å; L218-R231 PolarHBondContact O-N 2.89Å; L218-F233 HydrophobicContact CD1-CE1 3.85Å; L218-F233 HydrophobicContact CD1-CZ 4.32Å; L218-F233 HydrophobicContact CG-CE1 4Å
219	T	96.9	Very high	95.5	Very high	8 Å²	8	43 Å²	43	5%	0.049	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144	174	39.5	0	0	0	0	110.4	I123 R124 I217 E221 V227 G229 R230	I123-T219 CarbonylContact C-O 3.56Å; I123-T219 VanDerWaalsContact CA-O 3.29Å; I123-T219 WeakPolarHBondContact CA-O 3.27Å; R124-T219 WeakPolarHBondContact CB-OG1 3.38Å; R124-T219 PolarHBondContact N-O 2.97Å; R124-T219 PolarHBondContact O-N 2.95Å; I217-T219 HydrophobicContact CG2-CG2 4.06Å; T219-E221 WeakPolarHBondContact CB-OE1 3.12Å; T219-E221 PolarHBondContact OG1-OE1 2.98Å; T219-V227 HydrophobicContact CG2-CG1 3.81Å; T219-V227 HydrophobicContact CG2-CG2 4.41Å; T219-G229 CarbonylContact C-O 3.52Å; T219-G229 WeakPolarHBondContact CA-O 3.37Å; T219-R230 HydrophobicContact CG2-CB 4.03Å; T219-R230 HydrophobicContact CG2-CG 3.69Å
220	L	97.3	Very high	95.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.4	163.1	-178.3	65.6	0	0	0	106.6	F75 P117 A121 I123 Y183 L228 G229	F75-L220 HydrophobicContact CD2-CB 3.83Å; F75-L220 HydrophobicContact CD2-CD2 4.09Å; F75-L220 HydrophobicContact CE2-CB 3.91Å; F75-L220 HydrophobicContact CG-CB 4.28Å; F75-L220 HydrophobicContact CZ-CB 4.43Å; P117-L220 HydrophobicContact CB-CD2 3.97Å; P117-L220 HydrophobicContact CG-CD1 4.39Å; P117-L220 HydrophobicContact CG-CD2 4.26Å; A121-L220 HydrophobicContact CB-CD1 4.17Å; I123-L220 HydrophobicContact CG1-CD1 4.31Å; Y183-L220 HydrophobicContact CD2-CD1 4.11Å; Y183-L220 HydrophobicContact CG-CD1 4.31Å; L220-L228 HydrophobicContact CB-CB 4.45Å; L220-L228 HydrophobicContact CD2-CB 4.3Å; L220-L228 HydrophobicContact CG-CB 4.22Å; L220-L228 HydrophobicContact CG-CD1 4.34Å; L220-L228 WeakPolarHBondContact O-CB 3.5Å; L220-L228 PolarHBondContact O-N 3.1Å; L220-G229 PolarHBondContact N-O 2.67Å; L220-G229 PolarHBondContact O-N 2.87Å
221	E	96.6	Very high	95.6	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.7	-171.7	-64.7	171.7	-167.1	0	0	111.2	A121 V122 R124 T219 E226 V227	A121-E221 CarbonylContact C-O 3.53Å; A121-E221 VanDerWaalsContact CA-O 3.24Å; A121-E221 WeakPolarHBondContact CA-O 3.42Å; V122-E221 HydrophobicContact CG2-CB 3.94Å; V122-E221 PolarHBondContact N-O 3.26Å; V122-E221 PolarHBondContact O-N 3.06Å; R124-E221 WeakPolarHBondContact CD-OE1 3.21Å; R124-E221 IonicContact CZ-OE2 3.47Å; R124-E221 IonicContact NE-OE1 2.78Å; R124-E221 PolarHBondContact NE-OE1 3.25Å; R124-E221 IonicContact NE-OE2 3.15Å; R124-E221 PolarHBondContact NE-OE2 2.74Å; R124-E221 IonicContact NH2-OE2 3.24Å; R124-E221 PolarHBondContact NH2-OE2 3.04Å; T219-E221 WeakPolarHBondContact CB-OE1 3.12Å; T219-E221 PolarHBondContact OG1-OE1 2.98Å; E221-E226 CarbonylContact C-O 3.53Å; E221-E226 WeakPolarHBondContact CA-O 3.38Å; E221-V227 HydrophobicContact CG-CG2 4.22Å
222	T	95.7	Very high	95.6	Very high	13 Å²	13	36.6 Å²	36.6	8%	0.08	19%	0.194	C	C	.	.			trans	-75.3	172.3	167.2	71.4	0	0	0	0	111	E224 G225 E226 L228	T222-E224 WeakPolarHBondContact CB-OE2 3.5Å; T222-E224 PolarHBondContact O-N 3.15Å; T222-E224 PolarHBondContact OG1-N 3.21Å; T222-E224 PolarHBondContact OG1-OE2 3.27Å; T222-G225 PolarHBondContact O-N 3.28Å; T222-G225 VanDerWaalsContact O-N 3.1Å; T222-G225 PolarHBondContact OG1-N 3.06Å; T222-E226 HydrophobicContact CG2-CB 4.1Å; T222-E226 PolarHBondContact N-O 2.85Å; T222-E226 PolarHBondContact OG1-N 3.37Å; T222-L228 HydrophobicContact CG2-CD1 3.87Å; T222-L228 HydrophobicContact CG2-CD2 3.79Å; T222-L228 HydrophobicContact CG2-CG 3.83Å
223	T	92	Very high	95.6	Very high	93 Å²	93	34.4 Å²	34.4	57%	0.571	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.7	173.9	40.2	0	0	0	0	113.4	G120 G225	G120-T223 VanDerWaalsContact O-CG2 3.24Å; G120-T223 WeakPolarHBondContact O-CG2 3.43Å; T223-G225 VanDerWaalsContact C-N 3.33Å
224	E	91.3	Very high	95.7	Very high	133 Å²	133	33.4 Å²	33.4	62%	0.621	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.4	177.4	-53.2	72.6	-146.3	0	0	112.8	T222	T222-E224 WeakPolarHBondContact CB-OE2 3.5Å; T222-E224 PolarHBondContact O-N 3.15Å; T222-E224 PolarHBondContact OG1-N 3.21Å; T222-E224 PolarHBondContact OG1-OE2 3.27Å
225	G	89.7	Confident	95.7	Very high	42 Å²	42	33.5 Å²	33.5	43%	0.433	18%	0.178	S	C	.	.			trans	90.4	14.1	-179.8	0	0	0	0	0	114.8	T222 T223	T222-G225 PolarHBondContact O-N 3.28Å; T222-G225 VanDerWaalsContact O-N 3.1Å; T222-G225 PolarHBondContact OG1-N 3.06Å; T223-G225 VanDerWaalsContact C-N 3.33Å
226	E	93.6	Very high	95.7	Very high	131 Å²	131	36.5 Å²	36.5	61%	0.612	19%	0.188	S	C	*	.			trans	-75.7	131.3	174	-61.5	-170.4	155.6	0	0	110.8	E221 T222 L228	E221-E226 CarbonylContact C-O 3.53Å; E221-E226 WeakPolarHBondContact CA-O 3.38Å; T222-E226 HydrophobicContact CG2-CB 4.1Å; T222-E226 PolarHBondContact N-O 2.85Å; T222-E226 PolarHBondContact OG1-N 3.37Å; E226-L228 PolarHBondContact O-N 2.84Å
227	V	95.2	Very high	95.8	Very high	52 Å²	52	36.6 Å²	36.6	32%	0.315	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	104.4	-177.9	-178.9	0	0	0	0	110.5	T219 E221 G229 R230	T219-V227 HydrophobicContact CG2-CG1 3.81Å; T219-V227 HydrophobicContact CG2-CG2 4.41Å; E221-V227 HydrophobicContact CG-CG2 4.22Å; V227-G229 WeakPolarHBondContact CG1-O 3.44Å; V227-R230 HydrophobicContact CG1-CB 4.37Å
228	L	96.1	Very high	95.8	Very high	30 Å²	30	36.9 Å²	36.9	16%	0.157	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-30.3	175	-60	178.2	0	0	0	112.5	G71 P117 P118 L220 T222 E226	G71-L228 WeakPolarHBondContact CA-O 3.5Å; P117-L228 HydrophobicContact CB-CD1 4.16Å; P118-L228 HydrophobicContact CG-CD1 4.2Å; L220-L228 HydrophobicContact CB-CB 4.45Å; L220-L228 HydrophobicContact CD2-CB 4.3Å; L220-L228 HydrophobicContact CG-CB 4.22Å; L220-L228 HydrophobicContact CG-CD1 4.34Å; L220-L228 WeakPolarHBondContact O-CB 3.5Å; L220-L228 PolarHBondContact O-N 3.1Å; T222-L228 HydrophobicContact CG2-CD1 3.87Å; T222-L228 HydrophobicContact CG2-CD2 3.79Å; T222-L228 HydrophobicContact CG2-CG 3.83Å; E226-L228 PolarHBondContact O-N 2.84Å
229	G	96.2	Very high	95.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	154.5	-177.9	0	0	0	0	0	112.1	Y69 T219 L220 V227	Y69-G229 CarbonylContact O-C 3.55Å; Y69-G229 WeakPolarHBondContact O-CA 3.41Å; T219-G229 CarbonylContact C-O 3.52Å; T219-G229 WeakPolarHBondContact CA-O 3.37Å; L220-G229 PolarHBondContact N-O 2.67Å; L220-G229 PolarHBondContact O-N 2.87Å; V227-G229 WeakPolarHBondContact CG1-O 3.44Å
230	R	96.6	Very high	95.7	Very high	45 Å²	45	42 Å²	42	17%	0.17	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	130.8	-178.6	-167.2	179.3	-44.2	141.3	11.7	112.4	A65 Y69 I217 L218 T219 V227	A65-R230 WeakPolarHBondContact O-CD 3.18Å; A65-R230 PolarHBondContact O-NH1 3.11Å; Y69-R230 CarbonylContact C-O 3.52Å; Y69-R230 PolarHBondContact N-O 3.44Å; Y69-R230 PolarHBondContact O-N 2.84Å; Y69-R230 VanDerWaalsContact O-O 3.1Å; I217-R230 HydrophobicContact CG2-CG 3.69Å; L218-R230 CarbonylContact O-C 3.58Å; L218-R230 WeakPolarHBondContact O-CA 3.31Å; T219-R230 HydrophobicContact CG2-CB 4.03Å; T219-R230 HydrophobicContact CG2-CG 3.69Å; V227-R230 HydrophobicContact CG1-CB 4.37Å
231	R	96.9	Very high	95.6	Very high	61 Å²	61	42 Å²	42	23%	0.23	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.2	170.2	-72.3	-63.3	-173.5	165.7	3.4	110.6	N68 F75 N76 L77 L218	N68-R231 WeakPolarHBondContact OD1-CA 3.26Å; F75-R231 HydrophobicContact CD1-CB 4.35Å; F75-R231 HydrophobicContact CD1-CG 3.81Å; F75-R231 HydrophobicContact CE1-CB 4Å; F75-R231 HydrophobicContact CE1-CG 3.93Å; F75-R231 PolarHBondContact O-NE 2.92Å; F75-R231 VanDerWaalsContact O-NE 3.13Å; N76-R231 PolarHBondContact OD1-NE 2.74Å; N76-R231 PolarHBondContact OD1-NH2 3.48Å; L77-R231 HydrophobicContact CD1-CB 3.46Å; L77-R231 VanDerWaalsContact CD1-CB 3.46Å; L77-R231 HydrophobicContact CD1-CG 4.32Å; L77-R231 HydrophobicContact CG-CB 3.7Å; L77-R231 HydrophobicContact CG-CG 4.03Å; L218-R231 PolarHBondContact N-O 2.9Å; L218-R231 PolarHBondContact O-N 2.89Å
232	C	95.8	Very high	95.6	Very high	23 Å²	23	41.3 Å²	41.3	16%	0.155	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.3	-179.9	-56.9	0	0	0	0	109.4	I66 N68 T216	I66-C232 VanDerWaalsContact C-SG 3.58Å; I66-C232 PolarHBondContact O-SG 3.11Å; N68-C232 PolarHBondContact OD1-N 3.37Å; T216-C232 WeakPolarHBondContact O-CA 3.33Å
233	F	96.6	Very high	95.6	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.7	175.1	56.5	-84.4	0	0	0	110.3	L77 F79 L99 I109 L215 T216 L218 V235	L77-F233 HydrophobicContact CD1-CD1 3.68Å; L77-F233 HydrophobicContact CD1-CE1 3.64Å; F79-F233 HydrophobicContact CE1-CD1 4.34Å; F79-F233 HydrophobicContact CE1-CD2 4.11Å; F79-F233 HydrophobicContact CE1-CE1 4.26Å; F79-F233 HydrophobicContact CE1-CE2 4.01Å; F79-F233 HydrophobicContact CE1-CG 4.28Å; F79-F233 HydrophobicContact CE1-CZ 4.09Å; F79-F233 HydrophobicContact CZ-CB 4.29Å; F79-F233 AromaticContact CZ-CD1 3.67Å; F79-F233 HydrophobicContact CZ-CD1 3.67Å; F79-F233 HydrophobicContact CZ-CD2 4.03Å; F79-F233 AromaticContact CZ-CE1 3.93Å; F79-F233 HydrophobicContact CZ-CE1 3.93Å; F79-F233 HydrophobicContact CZ-CE2 4.26Å; F79-F233 AromaticContact CZ-CG 3.73Å; F79-F233 HydrophobicContact CZ-CG 3.73Å; F79-F233 HydrophobicContact CZ-CZ 4.22Å; L99-F233 HydrophobicContact CB-CD2 4.05Å; L99-F233 HydrophobicContact CB-CE2 4.23Å; L99-F233 HydrophobicContact CD2-CD2 4.38Å; L99-F233 HydrophobicContact CD2-CE2 3.73Å; I109-F233 HydrophobicContact CD1-CE1 4.45Å; I109-F233 HydrophobicContact CD1-CE2 4.28Å; I109-F233 HydrophobicContact CD1-CZ 3.66Å; L215-F233 CarbonylContact C-O 3.59Å; L215-F233 WeakPolarHBondContact CA-O 3.31Å; T216-F233 HydrophobicContact CG2-CE1 4.17Å; T216-F233 HydrophobicContact CG2-CE2 4.35Å; T216-F233 HydrophobicContact CG2-CZ 3.73Å; T216-F233 PolarHBondContact N-O 3.36Å; T216-F233 PolarHBondContact O-N 3.12Å; T216-F233 VanDerWaalsContact O-N 3.11Å; L218-F233 HydrophobicContact CD1-CE1 3.85Å; L218-F233 HydrophobicContact CD1-CZ 4.32Å; L218-F233 HydrophobicContact CG-CE1 4Å; F233-V235 HydrophobicContact CD2-CG2 3.64Å; F233-V235 HydrophobicContact CE2-CG2 3.41Å; F233-V235 VanDerWaalsContact CE2-CG2 3.41Å; F233-V235 HydrophobicContact CZ-CG2 4.48Å
234	E	97.2	Very high	95.8	Very high	20 Å²	20	44.1 Å²	44.1	9%	0.093	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	141.2	177.5	-173.1	175.3	158.9	0	0	110.5	G97 K98 L99 K130 I214 L215	G97-E234 PolarHBondContact O-N 2.89Å; K98-E234 CarbonylContact C-O 3.58Å; K98-E234 WeakPolarHBondContact CA-O 3.12Å; K98-E234 HydrophobicContact CB-CB 4.16Å; K98-E234 HydrophobicContact CD-CB 4.34Å; K98-E234 HydrophobicContact CD-CG 3.94Å; K98-E234 WeakPolarHBondContact CE-OE1 3.23Å; K98-E234 HydrophobicContact CG-CB 3.94Å; K98-E234 HydrophobicContact CG-CG 3.96Å; K98-E234 IonicContact NZ-OE1 3.48Å; K98-E234 PolarHBondContact NZ-OE1 2.94Å; L99-E234 PolarHBondContact N-O 3.31Å; K130-E234 HydrophobicContact CD-CG 4.39Å; K130-E234 WeakPolarHBondContact CD-OE2 3.37Å; K130-E234 WeakPolarHBondContact CE-OE2 3.39Å; K130-E234 IonicContact NZ-OE2 3.27Å; K130-E234 PolarHBondContact NZ-OE2 3.31Å; I214-E234 WeakPolarHBondContact O-CG 3.25Å; L215-E234 HydrophobicContact CD2-CB 3.97Å
235	V	98	Very high	96	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.4	176.2	-176.4	0	0	0	0	110.5	L99 F199 I214 T216 F233 V237	L99-V235 HydrophobicContact CB-CG2 4.29Å; L99-V235 HydrophobicContact CD2-CG1 4.5Å; L99-V235 HydrophobicContact CD2-CG2 4.23Å; L99-V235 WeakPolarHBondContact O-CA 3.2Å; F199-V235 HydrophobicContact CD1-CG1 4.15Å; F199-V235 HydrophobicContact CD2-CG1 4.22Å; F199-V235 HydrophobicContact CE1-CB 4.28Å; F199-V235 HydrophobicContact CE1-CG1 3.82Å; F199-V235 HydrophobicContact CE1-CG2 4.19Å; F199-V235 HydrophobicContact CE2-CG1 3.91Å; F199-V235 HydrophobicContact CG-CG1 4.35Å; F199-V235 HydrophobicContact CZ-CB 4.26Å; F199-V235 HydrophobicContact CZ-CG1 3.72Å; F199-V235 HydrophobicContact CZ-CG2 3.82Å; I214-V235 HydrophobicContact CD1-CB 4.29Å; I214-V235 HydrophobicContact CG1-CB 4.28Å; I214-V235 PolarHBondContact O-N 2.89Å; T216-V235 WeakPolarHBondContact OG1-CG2 3.47Å; F233-V235 HydrophobicContact CD2-CG2 3.64Å; F233-V235 HydrophobicContact CE2-CG2 3.41Å; F233-V235 VanDerWaalsContact CE2-CG2 3.41Å; F233-V235 HydrophobicContact CZ-CG2 4.48Å; V235-V237 HydrophobicContact CG1-CG2 4.19Å
236	R	97.6	Very high	96.3	Very high	85 Å²	85	43.3 Å²	43.3	32%	0.321	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	110.4	168.8	-177	-178.1	-176.6	107	9.7	109.7	K98 L99 F100 C101 D244 E248	K98-R236 VanDerWaalsContact CE-CB 3.46Å; L99-R236 PolarHBondContact O-N 3.13Å; F100-R236 WeakPolarHBondContact CA-O 3.38Å; F100-R236 HydrophobicContact CD1-CB 4.03Å; F100-R236 HydrophobicContact CD1-CG 4.32Å; F100-R236 HydrophobicContact CE1-CB 4.28Å; C101-R236 PolarHBondContact N-O 2.89Å; C101-R236 VanDerWaalsContact N-O 3.1Å; R236-D244 IonicContact CZ-OD2 3.09Å; R236-D244 IonicContact NE-OD2 2.88Å; R236-D244 PolarHBondContact NE-OD2 3.1Å; R236-D244 IonicContact NH2-OD2 2.71Å; R236-D244 PolarHBondContact NH2-OD2 3.33Å; R236-E248 WeakPolarHBondContact CD-OE1 3.41Å; R236-E248 IonicContact CZ-OE1 3.27Å; R236-E248 IonicContact NE-OE1 2.72Å; R236-E248 IonicContact NH1-OE1 2.72Å; R236-E248 PolarHBondContact NH1-OE1 2.86Å
237	V	98.1	Very high	96.4	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.6	172	-166.6	0	0	0	0	109	C101 L103 F199 C201 S203 M209 V235	C101-V237 CarbonylContact O-C 3.51Å; C101-V237 VanDerWaalsContact O-CA 3.26Å; C101-V237 WeakPolarHBondContact O-CA 3.45Å; L103-V237 HydrophobicContact CB-CG1 4.27Å; F199-V237 HydrophobicContact CB-CG1 4.31Å; F199-V237 HydrophobicContact CB-CG2 3.44Å; F199-V237 VanDerWaalsContact CB-CG2 3.44Å; F199-V237 HydrophobicContact CD1-CG2 4.22Å; F199-V237 HydrophobicContact CG-CG2 3.84Å; C201-V237 WeakPolarHBondContact O-CB 3.41Å; C201-V237 WeakPolarHBondContact O-CG1 3.48Å; S203-V237 WeakPolarHBondContact CB-O 3.44Å; S203-V237 PolarHBondContact N-O 3.33Å; S203-V237 PolarHBondContact OG-N 3.19Å; S203-V237 PolarHBondContact OG-O 3.18Å; M209-V237 HydrophobicContact CE-CG2 4.39Å; V235-V237 HydrophobicContact CG1-CG2 4.19Å
238	C	97	Very high	96.4	Very high	13 Å²	13	40 Å²	40	9%	0.088	20%	0.197	C	C	.	.			trans	-151.7	162.6	-178.9	67.9	0	0	0	0	112.8	C101 Q102 C240 D244	C101-C238 PolarHBondContact O-N 3.03Å; Q102-C238 WeakPolarHBondContact CA-O 3.47Å; C238-C240 VanDerWaalsContact C-N 3.32Å; C238-C240 PolarHBondContact O-N 2.86Å; C238-D244 WeakPolarHBondContact CB-OD2 3.04Å; C238-D244 PolarHBondContact SG-OD2 2.75Å
239	A	95.9	Very high	96.4	Very high	71 Å²	71	40.2 Å²	40.2	59%	0.587	20%	0.197	S	C	*	.	S	Bend	trans	-68.6	-28.2	-178.7	0	0	0	0	0	113.8	Q102	Q102-A239 PolarHBondContact NE2-O 2.94Å
240	C	95.8	Very high	96.3	Very high	45 Å²	45	41.2 Å²	41.2	30%	0.304	21%	0.207	S	C	.	.			trans	-129.6	76	-176.4	-57.9	0	0	0	0	111.8	C238 G242 R243 D244	C238-C240 VanDerWaalsContact C-N 3.32Å; C238-C240 PolarHBondContact O-N 2.86Å; C240-G242 PolarHBondContact O-N 3.24Å; C240-R243 HydrophobicContact CB-CB 3.98Å; C240-R243 PolarHBondContact O-N 3.43Å; C240-D244 PolarHBondContact O-N 3.26Å; C240-D244 VanDerWaalsContact O-N 3.1Å
241	P	96.3	Very high	96.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-51.6	-49.7	-176.8	-31.3	37.9	0	0	0	114.4	V88 T91 F100 Q102 R243 D244 R245	V88-P241 WeakPolarHBondContact O-CD 3.33Å; T91-P241 HydrophobicContact CG2-CB 3.98Å; F100-P241 HydrophobicContact CB-CB 3.76Å; Q102-P241 HydrophobicContact CG-CG 3.81Å; P241-R243 VanDerWaalsContact C-N 3.32Å; P241-R243 PolarHBondContact O-N 3.31Å; P241-D244 PolarHBondContact O-N 3.05Å; P241-R245 WeakPolarHBondContact O-CB 3.29Å; P241-R245 PolarHBondContact O-N 3.4Å
242	G	95.5	Very high	95.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-35.4	-178.2	0	0	0	0	0	114.1	C240 K246	C240-G242 PolarHBondContact O-N 3.24Å; G242-K246 WeakPolarHBondContact O-CB 3.39Å; G242-K246 PolarHBondContact O-N 3.15Å; G242-K246 VanDerWaalsContact O-N 3.11Å
243	R	95.8	Very high	95.5	Very high	149 Å²	149	47.4 Å²	47.4	56%	0.562	24%	0.243	S	C	*	.	H	α-helix	trans	-70.5	-48	176.6	-177.3	-164.9	67.2	-170.6	-3.7	111.1	C240 P241 R245 K246 T247	C240-R243 HydrophobicContact CB-CB 3.98Å; C240-R243 PolarHBondContact O-N 3.43Å; P241-R243 VanDerWaalsContact C-N 3.32Å; P241-R243 PolarHBondContact O-N 3.31Å; R243-R245 VanDerWaalsContact C-N 3.32Å; R243-K246 PolarHBondContact O-N 3.2Å; R243-T247 WeakPolarHBondContact O-CB 3.4Å; R243-T247 PolarHBondContact O-N 3.25Å; R243-T247 PolarHBondContact O-OG1 2.93Å
244	D	96.2	Very high	95.1	Very high	16 Å²	16	53.9 Å²	53.9	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-40.6	-179.1	-79.2	24.9	0	0	0	110.2	F100 R236 C238 C240 P241 T247 E248	F100-D244 HydrophobicContact CD1-CB 3.91Å; F100-D244 HydrophobicContact CE1-CB 4.08Å; R236-D244 IonicContact CZ-OD2 3.09Å; R236-D244 IonicContact NE-OD2 2.88Å; R236-D244 PolarHBondContact NE-OD2 3.1Å; R236-D244 IonicContact NH2-OD2 2.71Å; R236-D244 PolarHBondContact NH2-OD2 3.33Å; C238-D244 WeakPolarHBondContact CB-OD2 3.04Å; C238-D244 PolarHBondContact SG-OD2 2.75Å; C240-D244 PolarHBondContact O-N 3.26Å; C240-D244 VanDerWaalsContact O-N 3.1Å; P241-D244 PolarHBondContact O-N 3.05Å; D244-T247 PolarHBondContact O-N 3.4Å; D244-E248 PolarHBondContact O-N 3.08Å
245	R	96	Very high	94.1	Very high	13 Å²	13	57.1 Å²	57.1	5%	0.049	30%	0.296	C	S	.	.	H	α-helix	trans	-55.3	-56.9	171.2	-177	172.4	77.5	152.2	-0.4	111.9	D81 G83 T91 Y92 F100 P241 R243 T247 E248 E249	D81-R245 IonicContact OD1-CZ 3.69Å; D81-R245 VanDerWaalsContact OD1-CZ 3.24Å; D81-R245 IonicContact OD1-NH1 3.08Å; D81-R245 PolarHBondContact OD1-NH1 3.27Å; D81-R245 IonicContact OD1-NH2 3.15Å; D81-R245 PolarHBondContact OD1-NH2 2.62Å; D81-R245 IonicContact OD2-CZ 2.92Å; D81-R245 IonicContact OD2-NH1 3.41Å; D81-R245 PolarHBondContact OD2-NH1 3.3Å; D81-R245 IonicContact OD2-NH2 3.59Å; G83-R245 PolarHBondContact O-NH2 3.26Å; T91-R245 HydrophobicContact CG2-CB 4.38Å; T91-R245 PolarHBondContact OG1-NE 3.35Å; T91-R245 PolarHBondContact OG1-NH1 2.76Å; T91-R245 VanDerWaalsContact OG1-NH1 3.1Å; Y92-R245 PolarHBondContact O-NH1 3.26Å; F100-R245 HydrophobicContact CD1-CB 4.45Å; F100-R245 HydrophobicContact CD2-CB 3.76Å; F100-R245 HydrophobicContact CD2-CG 4.06Å; F100-R245 HydrophobicContact CE2-CB 3.84Å; F100-R245 HydrophobicContact CE2-CG 3.9Å; F100-R245 HydrophobicContact CG-CB 4.09Å; F100-R245 HydrophobicContact CZ-CB 4.22Å; P241-R245 WeakPolarHBondContact O-CB 3.29Å; P241-R245 PolarHBondContact O-N 3.4Å; R243-R245 VanDerWaalsContact C-N 3.32Å; R245-T247 PolarHBondContact O-N 3.08Å; R245-E248 PolarHBondContact O-N 3.46Å; R245-E249 HydrophobicContact CG-CG 4.21Å; R245-E249 WeakPolarHBondContact O-CB 3.33Å; R245-E249 WeakPolarHBondContact O-CG 3.26Å; R245-E249 PolarHBondContact O-N 3.23Å
246	K	95.6	Very high	92.5	Very high	145 Å²	145	59.9 Å²	59.9	63%	0.63	33%	0.326	S	S	*	.	H	α-helix	trans	-56.8	-38.2	-180	-175.6	175.3	-176.9	173.5	0	112.3	T84 G242 R243 G250	T84-K246 HydrophobicContact CG2-CB 4.46Å; G242-K246 WeakPolarHBondContact O-CB 3.39Å; G242-K246 PolarHBondContact O-N 3.15Å; G242-K246 VanDerWaalsContact O-N 3.11Å; R243-K246 PolarHBondContact O-N 3.2Å; K246-G250 PolarHBondContact O-N 3.21Å
247	T	95.8	Very high	90.7	Very high	75 Å²	75	60 Å²	60	46%	0.46	34%	0.336	S	S	.	.	H	α-helix	trans	-68.8	-46.4	180	-55.7	0	0	0	0	111.2	R243 D244 R245 N251	R243-T247 WeakPolarHBondContact O-CB 3.4Å; R243-T247 PolarHBondContact O-N 3.25Å; R243-T247 PolarHBondContact O-OG1 2.93Å; D244-T247 PolarHBondContact O-N 3.4Å; R245-T247 PolarHBondContact O-N 3.08Å; T247-N251 PolarHBondContact O-N 3.39Å; T247-N251 VanDerWaalsContact O-N 3.1Å; T247-N251 PolarHBondContact O-ND2 2.83Å
248	E	95.9	Very high	88.3	Confident	39 Å²	39	68.4 Å²	68.4	18%	0.182	37%	0.372	C	S	.	.	H	α-helix	trans	-70	-38.3	179.4	-70	-167.2	-163.3	0	0	112.4	L96 K98 F100 R236 D244 R245 N251 L252	L96-E248 HydrophobicContact CD1-CB 3.6Å; K98-E248 WeakPolarHBondContact CD-OE2 3.08Å; K98-E248 WeakPolarHBondContact CE-OE2 3.29Å; K98-E248 VanDerWaalsContact NZ-CD 3.32Å; K98-E248 IonicContact NZ-OE1 3.33Å; K98-E248 PolarHBondContact NZ-OE1 3.44Å; K98-E248 VanDerWaalsContact NZ-OE1 3.09Å; K98-E248 IonicContact NZ-OE2 2.62Å; K98-E248 PolarHBondContact NZ-OE2 2.86Å; F100-E248 HydrophobicContact CE1-CG 4.45Å; F100-E248 HydrophobicContact CZ-CB 4.29Å; F100-E248 HydrophobicContact CZ-CG 4.48Å; R236-E248 WeakPolarHBondContact CD-OE1 3.41Å; R236-E248 IonicContact CZ-OE1 3.27Å; R236-E248 IonicContact NE-OE1 2.72Å; R236-E248 IonicContact NH1-OE1 2.72Å; R236-E248 PolarHBondContact NH1-OE1 2.86Å; D244-E248 PolarHBondContact O-N 3.08Å; R245-E248 PolarHBondContact O-N 3.46Å; E248-N251 WeakPolarHBondContact O-CB 3.49Å; E248-N251 PolarHBondContact O-N 3.37Å; E248-L252 PolarHBondContact O-N 3.4Å
249	E	95.5	Very high	85.7	Confident	34 Å²	34	76.5 Å²	76.5	16%	0.159	41%	0.409	C	S	.	.	H	α-helix	trans	-63.1	-46.3	174.6	-72.6	178.2	161.2	0	0	111.6	S93 L96 R245 N251 L252 E253	S93-E249 VanDerWaalsContact CB-OE1 3.24Å; S93-E249 WeakPolarHBondContact CB-OE1 3.47Å; S93-E249 PolarHBondContact OG-OE1 3.1Å; L96-E249 HydrophobicContact CD1-CG 3.74Å; L96-E249 HydrophobicContact CG-CG 4.12Å; R245-E249 HydrophobicContact CG-CG 4.21Å; R245-E249 WeakPolarHBondContact O-CB 3.33Å; R245-E249 WeakPolarHBondContact O-CG 3.26Å; R245-E249 PolarHBondContact O-N 3.23Å; E249-N251 PolarHBondContact O-N 3.42Å; E249-L252 WeakPolarHBondContact O-CB 3.27Å; E249-L252 PolarHBondContact O-N 3.04Å; E249-L252 VanDerWaalsContact O-N 3.1Å; E249-E253 PolarHBondContact O-N 2.72Å
250	G	94.8	Very high	83.1	Confident	20 Å²	20	79.1 Å²	79.1	21%	0.206	42%	0.418	C	S	.	.	H	α-helix	trans	-64.6	-26.7	176.2	0	0	0	0	0	113.3	K246 K254	K246-G250 PolarHBondContact O-N 3.21Å; G250-K254 VanDerWaalsContact O-CG 3.25Å; G250-K254 WeakPolarHBondContact O-CG 3.32Å; G250-K254 PolarHBondContact O-N 2.93Å
251	N	93.4	Very high	80.4	Confident	93 Å²	93	87.2 Å²	87.2	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-73.6	-36.2	173.1	-71.3	-23.1	0	0	0	112.1	T247 E248 E249 S255	T247-N251 PolarHBondContact O-N 3.39Å; T247-N251 VanDerWaalsContact O-N 3.1Å; T247-N251 PolarHBondContact O-ND2 2.83Å; E248-N251 WeakPolarHBondContact O-CB 3.49Å; E248-N251 PolarHBondContact O-N 3.37Å; E249-N251 PolarHBondContact O-N 3.42Å; N251-S255 WeakPolarHBondContact O-CB 3.32Å; N251-S255 PolarHBondContact O-N 3.31Å; N251-S255 VanDerWaalsContact O-N 3.07Å
252	L	91.2	Very high	77.4	Confident	90 Å²	90	96.6 Å²	96.6	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-45.7	174.4	-173.3	69.5	0	0	0	110.9	L96 E248 E249 S255 G256	L96-L252 HydrophobicContact CD2-CB 4.21Å; L96-L252 HydrophobicContact CD2-CD2 3.91Å; E248-L252 PolarHBondContact O-N 3.4Å; E249-L252 WeakPolarHBondContact O-CB 3.27Å; E249-L252 PolarHBondContact O-N 3.04Å; E249-L252 VanDerWaalsContact O-N 3.1Å; L252-S255 WeakPolarHBondContact O-CB 3.47Å; L252-S255 PolarHBondContact O-N 2.99Å; L252-G256 PolarHBondContact O-N 3.43Å
253	E	87.1	Confident	74.5	Confident	76 Å²	76	107.2 Å²	107.2	36%	0.355	53%	0.528	S	S	.	.	H	α-helix	trans	-62	-45	178.8	-70.8	171.9	177	0	0	111.7	K95 E249 S255 G256 T257	K95-E253 IonicContact NZ-OE1 2.74Å; K95-E253 PolarHBondContact NZ-OE1 3.44Å; E249-E253 PolarHBondContact O-N 2.72Å; E253-S255 VanDerWaalsContact C-N 3.29Å; E253-S255 PolarHBondContact O-N 2.72Å; E253-G256 PolarHBondContact O-N 2.98Å; E253-G256 VanDerWaalsContact O-N 3.15Å; E253-T257 PolarHBondContact O-OG1 3.35Å
254	K	87.9	Confident	71.6	Confident	142 Å²	142	110.2 Å²	110.2	62%	0.617	55%	0.546	S	S	*	.	H	α-helix	trans	-65.6	-29.9	176.4	-72.1	172.6	-173.9	177.2	0	113.7	G250 G256	G250-K254 VanDerWaalsContact O-CG 3.25Å; G250-K254 WeakPolarHBondContact O-CG 3.32Å; G250-K254 PolarHBondContact O-N 2.93Å; K254-G256 VanDerWaalsContact C-N 3.3Å
255	S	77.5	Confident	68.6	Low	88 Å²	88	115 Å²	115	62%	0.615	58%	0.58	S	S	*	*	H	α-helix	trans	-69.7	-30.1	175.8	-169.5	0	0	0	0	111.8	N251 L252 E253	N251-S255 WeakPolarHBondContact O-CB 3.32Å; N251-S255 PolarHBondContact O-N 3.31Å; N251-S255 VanDerWaalsContact O-N 3.07Å; L252-S255 WeakPolarHBondContact O-CB 3.47Å; L252-S255 PolarHBondContact O-N 2.99Å; E253-S255 VanDerWaalsContact C-N 3.29Å; E253-S255 PolarHBondContact O-N 2.72Å
256	G	63.1	Low	65.6	Low	61 Å²	61	118.6 Å²	118.6	63%	0.629	61%	0.613	S	S	*	*	H	α-helix	trans	-66.6	-36	175.2	0	0	0	0	0	113.5	L252 E253 K254	L252-G256 PolarHBondContact O-N 3.43Å; E253-G256 PolarHBondContact O-N 2.98Å; E253-G256 VanDerWaalsContact O-N 3.15Å; K254-G256 VanDerWaalsContact C-N 3.3Å
257	T	61.3	Low	62.8	Low	86 Å²	86	117.7 Å²	117.7	53%	0.528	62%	0.621	S	S	.	*	H	α-helix	trans	-85.3	-12.7	-171.9	-39.1	0	0	0	0	114.6	E253 Q259	E253-T257 PolarHBondContact O-OG1 3.35Å; T257-Q259 VanDerWaalsContact C-N 3.29Å; T257-Q259 PolarHBondContact O-N 3.06Å
258	K	47.2	Very low	59.6	Low	180 Å²	180	118.8 Å²	118.8	78%	0.783	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	12.4	-172.3	-83.6	-172.9	178.6	-179.1	0	116.5
259	Q	41.1	Very low	56.7	Low	182 Å²	182	122.4 Å²	122.4	85%	0.85	67%	0.665	S	S	*	*	S	Bend	trans	-97.1	36.1	176.3	-77	-158.8	-1.8	0	0	115.7	T257	T257-Q259 VanDerWaalsContact C-N 3.29Å; T257-Q259 PolarHBondContact O-N 3.06Å
260	T	43	Very low	53.5	Low	127 Å²	127	127.7 Å²	127.7	78%	0.779	69%	0.694	S	S	*	*	S	Bend	trans	-152.1	38.2	169.5	34.6	0	0	0	0	115.2
261	K	39.1	Very low	50.8	Low	215 Å²	215	133.5 Å²	133.5	94%	0.935	73%	0.726	S	S	*	*			trans	-137.9	66.4	163.1	-67.6	-170.5	-179.7	176.7	0	111.8
262	K	32.9	Very low	47.8	Very low	197 Å²	197	133.8 Å²	133.8	86%	0.857	74%	0.736	S	S	*	*			trans	-107.7	115.1	163.5	-121.8	-177	-176.1	177.3	0	109.1
263	R	33.4	Very low	45.2	Very low	224 Å²	224	136 Å²	136	85%	0.845	75%	0.753	S	S	*	*			trans	70.4	101.7	155.4	-66.9	176.9	155.2	-179.5	-7.6	118.2
264	K	36.4	Very low	42.8	Very low	212 Å²	212	136.7 Å²	136.7	92%	0.922	77%	0.772	S	S	*	*				-148.6	76	120.7	-147.9	171.1	-176.7	-179.6	0	109.6
265	S	31.9	Very low	40.3	Very low	115 Å²	115	139.3 Å²	139.3	80%	0.804	78%	0.783	S	S	*	*			trans	-82.4	111.6	164	46.7	0	0	0	0	107.8
266	A	34	Very low	38.1	Very low	90 Å²	90	144.3 Å²	144.3	74%	0.744	79%	0.794	S	S	*	*			trans	-133.9	142.7	157.6	0	0	0	0	0	108
267	P	35.6	Very low	36.5	Very low	125 Å²	125	146.6 Å²	146.6	81%	0.812	80%	0.8	S	S	*	*			trans	-111.3	161.6	-153	26.3	-7.3	0	0	0	115
268	A	28.7	Very low	35.2	Very low	98 Å²	98	153 Å²	153	81%	0.81	82%	0.82	S	S	*	*			trans	77.3	157	159.9	0	0	0	0	0	117.9
269	P	35.5	Very low	34.4	Very low	115 Å²	115	150.3 Å²	150.3	75%	0.747	83%	0.825	S	S	*	*			cis	-130.3	168	6.8	34.8	-14.4	0	0	0	117.1
270	D	29.1	Very low	34.2	Very low	145 Å²	145	146.3 Å²	146.3	78%	0.775	82%	0.823	S	S	*	*			trans	-12	133.8	160.7	-59.1	-55.5	0	0	0	120.4
271	T	36.5	Very low	33.9	Very low	143 Å²	143	145.3 Å²	145.3	88%	0.877	82%	0.821	S	S	*	*				-166.4	138.7	117	12.6	0	0	0	0	112
272	S	31.5	Very low	34.2	Very low	99 Å²	99	140.3 Å²	140.3	69%	0.692	81%	0.813	S	S	*	*			trans	-59.9	138.3	177.9	50.8	0	0	0	0	114.7
273	T	36	Very low	34.7	Very low	136 Å²	136	133.9 Å²	133.9	83%	0.834	80%	0.803	S	S	*	*				177.8	128.2	117.5	26.5	0	0	0	0	113.1
274	A	37.6	Very low	35.3	Very low	91 Å²	91	129.9 Å²	129.9	75%	0.752	79%	0.794	S	S	*	*			trans	46.3	111.1	140.9	0	0	0	0	0	122.1
275	K	34.9	Very low	36.2	Very low	196 Å²	196	125.8 Å²	125.8	85%	0.852	78%	0.782	S	S	*	*				57.5	105.1	126.6	-78.2	178.3	178.2	172.7	0	119.7
276	K	30.9	Very low	37.6	Very low	194 Å²	194	128 Å²	128	84%	0.843	78%	0.779	S	S	*	*				71.4	109.1	123.5	-80.8	-175.8	172.1	-177.7	0	118.6
277	S	30.8	Very low	39.1	Very low	108 Å²	108	131 Å²	131	76%	0.755	78%	0.783	S	S	*	*			trans	75.9	80.7	132.2	62.4	0	0	0	0	118.2
278	K	33	Very low	40.9	Very low	220 Å²	220	132 Å²	132	96%	0.957	78%	0.775	S	S	*	*			trans	-148	96.4	134.2	-74.9	-169.1	-179.4	168.3	0	108.9
279	S	30.2	Very low	43.6	Very low	125 Å²	125	133.2 Å²	133.2	87%	0.874	76%	0.763	S	S	*	*			trans	-126.1	82.8	166.7	59.5	0	0	0	0	107.7
280	A	37.7	Very low	46	Very low	98 Å²	98	135 Å²	135	81%	0.81	77%	0.765	S	S	*	*			trans	-133.7	78	169.7	0	0	0	0	0	107.2
281	S	36.8	Very low	48.8	Very low	105 Å²	105	136.6 Å²	136.6	73%	0.734	76%	0.761	S	S	*	*			trans	165.2	108.7	141.9	65.9	0	0	0	0	109
282	S	45.8	Very low	51.3	Low	110 Å²	110	136.6 Å²	136.6	77%	0.769	76%	0.761	S	S	*	*			trans	-143.3	18.2	158.5	75.1	0	0	0	0	111.1
283	G	43.4	Very low	54.1	Low	63 Å²	63	138 Å²	138	65%	0.649	76%	0.761	S	S	*	*	S	Bend	trans	-104.2	13.8	-178.2	0	0	0	0	0	113.7
284	E	45.9	Very low	56.7	Low	140 Å²	140	137.3 Å²	137.3	65%	0.654	76%	0.761	S	S	*	*	S	Bend	trans	-115.8	-6	-178.9	-64.7	-170.9	161.6	0	0	113.6
285	D	53.6	Low	59.2	Low	126 Å²	126	135.2 Å²	135.2	67%	0.674	74%	0.737	S	S	*	*	S	Bend	trans	-90.2	-25.3	-178.3	-80.9	-35.1	0	0	0	113.5	D287 K288	D285-D287 PolarHBondContact O-N 3.33Å; D285-K288 PolarHBondContact O-N 2.84Å
286	E	61.8	Low	61.9	Low	161 Å²	161	135.9 Å²	135.9	75%	0.752	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-70.3	-31.4	-178	-67.7	-169.4	156.8	0	0	112.8	K288	E286-K288 PolarHBondContact O-N 2.98Å; E286-K288 VanDerWaalsContact O-N 3.15Å
287	D	65.4	Low	64.8	Low	152 Å²	152	128.9 Å²	128.9	81%	0.813	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-72.3	-5.3	-178.8	-66	-26.3	0	0	0	114	D285	D285-D287 PolarHBondContact O-N 3.33Å
288	K	74.8	Confident	67.7	Low	147 Å²	147	133.8 Å²	133.8	64%	0.639	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-106.8	-2.6	-176.4	-63.4	178.7	-169.6	164.2	0	114	D285 E286 I290	D285-K288 PolarHBondContact O-N 2.84Å; E286-K288 PolarHBondContact O-N 2.98Å; E286-K288 VanDerWaalsContact O-N 3.15Å; K288-I290 PolarHBondContact O-N 3.31Å
289	E	85.3	Confident	70.5	Confident	123 Å²	123	130 Å²	130	58%	0.575	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-75.6	117.1	-177.6	-166.3	171.1	-159.4	0	0	110.7	Y291	E289-Y291 HydrophobicContact CB-CE2 3.84Å; E289-Y291 VanDerWaalsContact CD-OH 3.25Å; E289-Y291 HydrophobicContact CG-CD2 4.43Å; E289-Y291 HydrophobicContact CG-CE2 3.77Å; E289-Y291 VanDerWaalsContact O-CD2 3.31Å; E289-Y291 WeakPolarHBondContact O-CD2 3.33Å; E289-Y291 PolarHBondContact OE2-OH 3.41Å
290	I	85.8	Confident	73.4	Confident	153 Å²	153	130.9 Å²	130.9	79%	0.785	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-87.8	116.7	-179.3	-62	171	0	0	0	109.1	K288	K288-I290 PolarHBondContact O-N 3.31Å
291	Y	87.9	Confident	76.1	Confident	178 Å²	178	132 Å²	132	70%	0.698	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-97.9	136.9	174	-66	-92.5	0	0	0	110.8	E289	E289-Y291 HydrophobicContact CB-CE2 3.84Å; E289-Y291 VanDerWaalsContact CD-OH 3.25Å; E289-Y291 HydrophobicContact CG-CD2 4.43Å; E289-Y291 HydrophobicContact CG-CE2 3.77Å; E289-Y291 VanDerWaalsContact O-CD2 3.31Å; E289-Y291 WeakPolarHBondContact O-CD2 3.33Å; E289-Y291 PolarHBondContact OE2-OH 3.41Å
292	T	88.4	Confident	78.8	Confident	143 Å²	143	131.3 Å²	131.3	88%	0.877	67%	0.665	S	S	*	*			trans	-105	123	174.9	42.2	0	0	0	0	110.6
293	L	89.5	Confident	81.1	Confident	129 Å²	129	134 Å²	134	68%	0.675	66%	0.658	S	S	*	*			trans	-112.5	122.2	179.3	-177.8	63.9	0	0	0	110.5	I295	L293-I295 HydrophobicContact CD2-CD1 4.23Å; L293-I295 HydrophobicContact CD2-CG1 4.2Å; L293-I295 HydrophobicContact CG-CD1 4.48Å; L293-I295 HydrophobicContact CG-CG1 4.07Å
294	S	91	Very high	83.6	Confident	121 Å²	121	135.2 Å²	135.2	85%	0.846	65%	0.646	S	S	*	*			trans	-82.6	121.6	175.5	59.4	0	0	0	0	111
295	I	91.2	Very high	85.8	Confident	47 Å²	47	132.6 Å²	132.6	24%	0.241	63%	0.632	C	S	.	*			trans	-120.8	124.4	-176.4	-58.3	168.3	0	0	0	109.6	L293 G297 R300 F304	L293-I295 HydrophobicContact CD2-CD1 4.23Å; L293-I295 HydrophobicContact CD2-CG1 4.2Å; L293-I295 HydrophobicContact CG-CD1 4.48Å; L293-I295 HydrophobicContact CG-CG1 4.07Å; I295-G297 PolarHBondContact O-N 3.2Å; I295-R300 HydrophobicContact CG2-CB 3.63Å; I295-F304 HydrophobicContact CD1-CB 3.54Å; I295-F304 HydrophobicContact CD1-CD2 3.69Å; I295-F304 HydrophobicContact CD1-CG 3.7Å; I295-F304 HydrophobicContact CG1-CD2 4.43Å; I295-F304 HydrophobicContact CG2-CD2 4.42Å
296	R	90.9	Very high	87.7	Confident	211 Å²	211	130.6 Å²	130.6	80%	0.796	63%	0.628	S	S	*	*	S	Bend	trans	-80.7	119.4	177.9	-174	175.9	175.9	-173.9	-0.6	111.1	R300	R296-R300 PolarHBondContact O-NE 3.26Å; R296-R300 PolarHBondContact O-NH2 3.39Å
297	G	91.7	Very high	89.2	Confident	46 Å²	46	126.7 Å²	126.7	47%	0.474	61%	0.612	S	S	.	*	S	Bend	trans	91.6	138.9	171.5	0	0	0	0	0	114	I295 N299 R300 Y301	I295-G297 PolarHBondContact O-N 3.2Å; G297-N299 PolarHBondContact O-N 3.3Å; G297-R300 PolarHBondContact O-N 3.24Å; G297-Y301 PolarHBondContact O-N 3.45Å
298	R	91.1	Very high	90.5	Very high	212 Å²	212	123.5 Å²	123.5	80%	0.8	60%	0.595	S	S	*	*	H	α-helix	trans	-60.7	-41.5	-169.2	-164.8	-178.5	-168.1	113.8	0.1	113.7	Y301 L302	R298-Y301 WeakPolarHBondContact O-CB 3.41Å; R298-Y301 PolarHBondContact O-N 3.47Å; R298-L302 HydrophobicContact CG-CD1 4.46Å; R298-L302 WeakPolarHBondContact O-CG 3.39Å; R298-L302 PolarHBondContact O-N 3.02Å
299	N	92.2	Very high	91.3	Very high	139 Å²	139	119.9 Å²	119.9	74%	0.743	58%	0.582	S	S	*	*	H	α-helix	trans	-65.9	-42.8	-176	-160.5	28.1	0	0	0	112.2	G297 L302 W303	G297-N299 PolarHBondContact O-N 3.3Å; N299-L302 PolarHBondContact O-N 3.08Å; N299-W303 PolarHBondContact O-N 3.48Å; N299-W303 VanDerWaalsContact O-N 3.13Å
300	R	90.5	Very high	91.5	Very high	144 Å²	144	115.6 Å²	115.6	54%	0.543	57%	0.571	S	S	.	*	H	α-helix	trans	-64.1	-42.7	175.1	-73.4	-173.8	-76	-169.7	-11.8	111.4	I295 R296 G297 L302 W303 F304	I295-R300 HydrophobicContact CG2-CB 3.63Å; R296-R300 PolarHBondContact O-NE 3.26Å; R296-R300 PolarHBondContact O-NH2 3.39Å; G297-R300 PolarHBondContact O-N 3.24Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.22Å; R300-W303 PolarHBondContact O-N 3.48Å; R300-F304 VanDerWaalsContact O-CD2 3.31Å; R300-F304 WeakPolarHBondContact O-CD2 3.48Å; R300-F304 PolarHBondContact O-N 3.09Å
301	Y	94.9	Very high	91.7	Very high	122 Å²	122	113 Å²	113	48%	0.478	56%	0.558	S	S	.	*	H	α-helix	trans	-57.5	-46.2	176.1	169.8	-100.4	0	0	0	112	G297 R298 W303 F304 K305	G297-Y301 PolarHBondContact O-N 3.45Å; R298-Y301 WeakPolarHBondContact O-CB 3.41Å; R298-Y301 PolarHBondContact O-N 3.47Å; Y301-W303 VanDerWaalsContact C-N 3.31Å; Y301-W303 PolarHBondContact O-N 2.72Å; Y301-F304 PolarHBondContact O-N 3.05Å; Y301-K305 HydrophobicContact CE1-CD 4.14Å; Y301-K305 VanDerWaalsContact O-CB 3.26Å; Y301-K305 WeakPolarHBondContact O-CB 3.15Å; Y301-K305 PolarHBondContact O-N 3.35Å
302	L	93.4	Very high	91.7	Very high	90 Å²	90	108.8 Å²	108.8	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-63.2	-37	177.9	-70.8	173.6	0	0	0	112.6	R298 N299 R300 K305 S306	R298-L302 HydrophobicContact CG-CD1 4.46Å; R298-L302 WeakPolarHBondContact O-CG 3.39Å; R298-L302 PolarHBondContact O-N 3.02Å; N299-L302 PolarHBondContact O-N 3.08Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 3.22Å; L302-K305 PolarHBondContact O-N 2.99Å; L302-S306 WeakPolarHBondContact O-CB 3.43Å; L302-S306 PolarHBondContact O-N 3.37Å
303	W	94.5	Very high	91.5	Very high	166 Å²	166	107.1 Å²	107.1	63%	0.629	53%	0.53	S	S	*	.	H	α-helix	trans	-65.3	-48.2	177	-168.1	79.9	0	0	0	112.2	N299 R300 Y301 K305 S306 L307	N299-W303 PolarHBondContact O-N 3.48Å; N299-W303 VanDerWaalsContact O-N 3.13Å; R300-W303 PolarHBondContact O-N 3.48Å; Y301-W303 VanDerWaalsContact C-N 3.31Å; Y301-W303 PolarHBondContact O-N 2.72Å; W303-K305 PolarHBondContact O-N 2.82Å; W303-S306 PolarHBondContact O-N 3.05Å; W303-L307 HydrophobicContact CD2-CD1 4.1Å; W303-L307 HydrophobicContact CE3-CD1 3.7Å; W303-L307 HydrophobicContact CH2-CD1 3.43Å; W303-L307 VanDerWaalsContact CH2-CD1 3.43Å; W303-L307 HydrophobicContact CZ2-CD1 3.83Å; W303-L307 HydrophobicContact CZ3-CD1 3.35Å; W303-L307 PolarHBondContact O-N 3.1Å
304	F	95.8	Very high	91	Very high	90 Å²	90	107 Å²	107	40%	0.395	53%	0.528	S	S	.	.	H	α-helix	trans	-65.3	-37.7	175.1	-82.5	-78.2	0	0	0	112.5	I295 R300 Y301 L307 N308	I295-F304 HydrophobicContact CD1-CB 3.54Å; I295-F304 HydrophobicContact CD1-CD2 3.69Å; I295-F304 HydrophobicContact CD1-CG 3.7Å; I295-F304 HydrophobicContact CG1-CD2 4.43Å; I295-F304 HydrophobicContact CG2-CD2 4.42Å; R300-F304 VanDerWaalsContact O-CD2 3.31Å; R300-F304 WeakPolarHBondContact O-CD2 3.48Å; R300-F304 PolarHBondContact O-N 3.09Å; Y301-F304 PolarHBondContact O-N 3.05Å; F304-L307 PolarHBondContact O-N 2.72Å; F304-N308 WeakPolarHBondContact O-CB 3.32Å; F304-N308 PolarHBondContact O-N 3.2Å
305	K	92.7	Very high	90.5	Very high	85 Å²	85	108 Å²	108	37%	0.37	52%	0.523	S	S	.	.	H	α-helix	trans	-61	-46.3	174.1	-177.6	176	-177.8	-61.1	0	111.1	Y301 L302 W303 L307 N308 D309	Y301-K305 HydrophobicContact CE1-CD 4.14Å; Y301-K305 VanDerWaalsContact O-CB 3.26Å; Y301-K305 WeakPolarHBondContact O-CB 3.15Å; Y301-K305 PolarHBondContact O-N 3.35Å; L302-K305 PolarHBondContact O-N 2.99Å; W303-K305 PolarHBondContact O-N 2.82Å; K305-L307 VanDerWaalsContact C-N 3.3Å; K305-L307 PolarHBondContact O-N 3.25Å; K305-N308 PolarHBondContact O-N 3.39Å; K305-D309 IonicContact NZ-OD1 3.9Å; K305-D309 IonicContact NZ-OD2 2.72Å; K305-D309 PolarHBondContact NZ-OD2 3.35Å; K305-D309 WeakPolarHBondContact O-CB 3.34Å; K305-D309 PolarHBondContact O-N 3.39Å
306	S	93	Very high	90	Very high	84 Å²	84	113 Å²	113	59%	0.587	54%	0.543	S	S	*	.	H	α-helix	trans	-61.7	-37.9	177.4	-172.6	0	0	0	0	112.5	L302 W303 G310	L302-S306 WeakPolarHBondContact O-CB 3.43Å; L302-S306 PolarHBondContact O-N 3.37Å; W303-S306 PolarHBondContact O-N 3.05Å; S306-G310 PolarHBondContact O-N 3.27Å; S306-G310 VanDerWaalsContact O-N 3.09Å
307	L	93.8	Very high	89.3	Confident	79 Å²	79	108.1 Å²	108.1	41%	0.414	54%	0.537	S	S	.	.	H	α-helix	trans	-65.1	-46.4	174	-93.1	166.1	0	0	0	111.9	W303 F304 K305 G310 L311	W303-L307 HydrophobicContact CD2-CD1 4.1Å; W303-L307 HydrophobicContact CE3-CD1 3.7Å; W303-L307 HydrophobicContact CH2-CD1 3.43Å; W303-L307 VanDerWaalsContact CH2-CD1 3.43Å; W303-L307 HydrophobicContact CZ2-CD1 3.83Å; W303-L307 HydrophobicContact CZ3-CD1 3.35Å; W303-L307 PolarHBondContact O-N 3.1Å; F304-L307 PolarHBondContact O-N 2.72Å; K305-L307 VanDerWaalsContact C-N 3.3Å; K305-L307 PolarHBondContact O-N 3.25Å; L307-G310 PolarHBondContact O-N 3.47Å; L307-L311 WeakPolarHBondContact O-CG 3.35Å; L307-L311 PolarHBondContact O-N 3.03Å
308	N	93.1	Very high	87.6	Confident	85 Å²	85	107.7 Å²	107.7	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-63	-48.8	179.2	-169.5	78.4	0	0	0	111.7	F304 K305 G310 L311 E312	F304-N308 WeakPolarHBondContact O-CB 3.32Å; F304-N308 PolarHBondContact O-N 3.2Å; K305-N308 PolarHBondContact O-N 3.39Å; N308-G310 PolarHBondContact O-N 3.27Å; N308-L311 PolarHBondContact O-N 3.24Å; N308-E312 PolarHBondContact ND2-OE1 3.18Å; N308-E312 VanDerWaalsContact ND2-OE1 3.16Å; N308-E312 PolarHBondContact O-N 2.94Å
309	D	90.9	Very high	85.6	Confident	71 Å²	71	103 Å²	103	38%	0.38	53%	0.53	S	S	.	.	H	α-helix	trans	-58.5	-37.2	177	-67.1	-10.5	0	0	0	111.2	K305 L313	K305-D309 IonicContact NZ-OD1 3.9Å; K305-D309 IonicContact NZ-OD2 2.72Å; K305-D309 PolarHBondContact NZ-OD2 3.35Å; K305-D309 WeakPolarHBondContact O-CB 3.34Å; K305-D309 PolarHBondContact O-N 3.39Å; D309-L313 PolarHBondContact O-N 3.08Å
310	G	90.1	Very high	83.3	Confident	32 Å²	32	106.6 Å²	106.6	33%	0.33	54%	0.539	S	S	.	.	H	α-helix	trans	-67.5	-43.1	176.6	0	0	0	0	0	113.4	S306 L307 N308 L313 M314	S306-G310 PolarHBondContact O-N 3.27Å; S306-G310 VanDerWaalsContact O-N 3.09Å; L307-G310 PolarHBondContact O-N 3.47Å; N308-G310 PolarHBondContact O-N 3.27Å; G310-L313 PolarHBondContact O-N 3.48Å; G310-M314 WeakPolarHBondContact O-CG 3.11Å; G310-M314 PolarHBondContact O-N 3.14Å
311	L	90	Very high	81.2	Confident	100 Å²	100	106.2 Å²	106.2	52%	0.524	55%	0.546	S	S	.	.	H	α-helix	trans	-65	-43.1	176.5	-73.3	167.4	0	0	0	111.5	L307 N308 L313 M314 D315	L307-L311 WeakPolarHBondContact O-CG 3.35Å; L307-L311 PolarHBondContact O-N 3.03Å; N308-L311 PolarHBondContact O-N 3.24Å; L311-L313 PolarHBondContact O-N 3.05Å; L311-M314 WeakPolarHBondContact O-CB 3.44Å; L311-M314 PolarHBondContact O-N 2.87Å; L311-M314 VanDerWaalsContact O-N 3.1Å; L311-D315 PolarHBondContact O-N 2.89Å
312	E	87	Confident	78.5	Confident	89 Å²	89	109.8 Å²	109.8	42%	0.416	56%	0.564	S	S	.	*	H	α-helix	trans	-60.7	-33.1	175	-75	-171.4	-158.4	0	0	112.9	N308 K316	N308-E312 PolarHBondContact ND2-OE1 3.18Å; N308-E312 VanDerWaalsContact ND2-OE1 3.16Å; N308-E312 PolarHBondContact O-N 2.94Å; E312-K316 WeakPolarHBondContact O-CD 3.48Å; E312-K316 VanDerWaalsContact O-CG 3.3Å; E312-K316 WeakPolarHBondContact O-CG 3.2Å; E312-K316 PolarHBondContact O-N 3.26Å; E312-K316 IonicContact OE2-NZ 3.83Å
313	L	83.4	Confident	76	Confident	108 Å²	108	113.1 Å²	113.1	57%	0.565	58%	0.577	S	S	*	*	H	α-helix	trans	-71.6	-38.9	175.9	-168.2	71.5	0	0	0	111.4	D309 G310 L311 D315 K316 T317	D309-L313 PolarHBondContact O-N 3.08Å; G310-L313 PolarHBondContact O-N 3.48Å; L311-L313 PolarHBondContact O-N 3.05Å; L313-D315 VanDerWaalsContact C-N 3.34Å; L313-K316 PolarHBondContact O-N 2.97Å; L313-T317 PolarHBondContact O-N 2.86Å; L313-T317 PolarHBondContact O-OG1 2.88Å
314	M	80.5	Confident	73.2	Confident	126 Å²	126	113.1 Å²	113.1	62%	0.621	59%	0.585	S	S	*	*	H	α-helix	trans	-63.1	-39.1	175.4	-73.3	-176.6	65.6	0	0	111.8	G310 L311 K316 T317 G318	G310-M314 WeakPolarHBondContact O-CG 3.11Å; G310-M314 PolarHBondContact O-N 3.14Å; L311-M314 WeakPolarHBondContact O-CB 3.44Å; L311-M314 PolarHBondContact O-N 2.87Å; L311-M314 VanDerWaalsContact O-N 3.1Å; M314-K316 VanDerWaalsContact C-N 3.27Å; M314-K316 PolarHBondContact O-N 3.33Å; M314-T317 PolarHBondContact O-N 3.25Å; M314-G318 VanDerWaalsContact O-CA 3.28Å; M314-G318 WeakPolarHBondContact O-CA 3.39Å; M314-G318 PolarHBondContact O-N 3.06Å
315	D	80.9	Confident	70.7	Confident	141 Å²	141	116 Å²	116	75%	0.754	60%	0.602	S	S	*	*	H	α-helix	trans	-67.2	-30.2	176.8	-69.5	-24.9	0	0	0	112.6	L311 L313	L311-D315 PolarHBondContact O-N 2.89Å; L313-D315 VanDerWaalsContact C-N 3.34Å
316	K	78.8	Confident	68.1	Low	153 Å²	153	115.4 Å²	115.4	67%	0.665	61%	0.607	S	S	*	*	H	α-helix	trans	-78.2	-28.5	176.8	-69.2	167.6	-168.6	164.6	0	113.5	E312 L313 M314	E312-K316 WeakPolarHBondContact O-CD 3.48Å; E312-K316 VanDerWaalsContact O-CG 3.3Å; E312-K316 WeakPolarHBondContact O-CG 3.2Å; E312-K316 PolarHBondContact O-N 3.26Å; E312-K316 IonicContact OE2-NZ 3.83Å; L313-K316 PolarHBondContact O-N 2.97Å; M314-K316 VanDerWaalsContact C-N 3.27Å; M314-K316 PolarHBondContact O-N 3.33Å
317	T	76.8	Confident	65.5	Low	108 Å²	108	115.9 Å²	115.9	66%	0.663	62%	0.616	S	S	*	*	H	α-helix	trans	-115.9	-17.2	-170.4	56.5	0	0	0	0	114.1	L313 M314	L313-T317 PolarHBondContact O-N 2.86Å; L313-T317 PolarHBondContact O-OG1 2.88Å; M314-T317 PolarHBondContact O-N 3.25Å
318	G	55.9	Low	62.7	Low	38 Å²	38	118.4 Å²	118.4	39%	0.392	64%	0.638	S	S	.	*	S	Bend	trans	-88.1	143.3	-172.8	0	0	0	0	0	113.6	M314 K320	M314-G318 VanDerWaalsContact O-CA 3.28Å; M314-G318 WeakPolarHBondContact O-CA 3.39Å; M314-G318 PolarHBondContact O-N 3.06Å; G318-K320 PolarHBondContact O-N 3.28Å
319	P	49.4	Very low	60	Low	113 Å²	113	120.2 Å²	120.2	73%	0.734	66%	0.657	S	S	*	*			trans	-65.7	131.4	169.2	25.7	-30.6	0	0	0	110.3	I321	P319-I321 PolarHBondContact O-N 3.17Å
320	K	44	Very low	57.6	Low	214 Å²	214	122.1 Å²	122.1	93%	0.93	68%	0.676	S	S	*	*			trans	-55.6	85.5	-175.3	-61.6	-174.4	179.8	-173.4	0	112.9	G318	G318-K320 PolarHBondContact O-N 3.28Å
321	I	46.1	Very low	55.1	Low	136 Å²	136	124.4 Å²	124.4	70%	0.697	70%	0.699	S	S	*	*			trans	-106.5	104.5	166.1	-63.7	174.7	0	0	0	106.4	P319 Q323	P319-I321 PolarHBondContact O-N 3.17Å; I321-Q323 HydrophobicContact CG2-CG 4.5Å; I321-Q323 PolarHBondContact O-N 2.85Å
322	K	38.6	Very low	52.3	Low	197 Å²	197	129.6 Å²	129.6	86%	0.857	72%	0.717	S	S	*	*			trans	-63.9	99.8	177.5	-73	-173.8	170.7	-164.7	0	110
323	Q	39.9	Very low	50	Low	160 Å²	160	137 Å²	137	75%	0.748	74%	0.742	S	S	*	*			trans	-107.9	101.1	165.4	-81.9	-176.6	-57	0	0	108.2	I321	I321-Q323 HydrophobicContact CG2-CG 4.5Å; I321-Q323 PolarHBondContact O-N 2.85Å
324	E	36.1	Very low	47.6	Very low	167 Å²	167	139.6 Å²	139.6	78%	0.78	76%	0.755	S	S	*	*			trans	-82.7	121	167.5	-76.4	179.9	-169.3	0	0	108.9
325	I	44.4	Very low	45.6	Very low	149 Å²	149	142.1 Å²	142.1	76%	0.764	77%	0.77	S	S	*	*			trans	-112.8	115.5	-178.5	-61.9	171.8	0	0	0	107.6
326	P	37.2	Very low	43.6	Very low	73 Å²	73	144.6 Å²	144.6	47%	0.474	77%	0.774	S	S	.	*	P	Polyproline II helix	trans	-89.5	142.7	179	-10	28.1	0	0	0	114.7
327	A	38.6	Very low	41.4	Very low	94 Å²	94	141 Å²	141	78%	0.777	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-79	156.3	-167.6	0	0	0	0	0	116.8
328	P	34.2	Very low	39.4	Very low	133 Å²	133	139 Å²	139	86%	0.864	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-83.7	145.7	-178.8	31.2	-33.2	0	0	0	115.3
329	S	36.5	Very low	38.4	Very low	122 Å²	122	142.2 Å²	142.2	85%	0.853	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-72.6	140.9	179.3	166.7	0	0	0	0	113.7
330	S	40.5	Very low	37.9	Very low	112 Å²	112	144 Å²	144	78%	0.783	80%	0.801	S	S	*	*			trans	-84.9	115.7	-177.2	47.6	0	0	0	0	112.6
331	G	37.5	Very low	37.8	Very low	79 Å²	79	139.1 Å²	139.1	81%	0.814	79%	0.794	S	S	*	*			trans	-84.7	106.7	168.2	0	0	0	0	0	111.3	R333	G331-R333 PolarHBondContact O-N 3.06Å
332	K	33.1	Very low	37.6	Very low	210 Å²	210	144.3 Å²	144.3	91%	0.913	82%	0.823	S	S	*	*			trans	-65.7	117.7	163.8	-73.6	174.4	175.4	176.2	0	108.8
333	R	37.5	Very low	37.6	Very low	245 Å²	245	141.7 Å²	141.7	93%	0.925	82%	0.821	S	S	*	*			trans	-108.8	120.9	163.1	-102.2	-175.7	171.5	-170	-2.2	110.3	G331	G331-R333 PolarHBondContact O-N 3.06Å
334	L	33.4	Very low	37.4	Very low	162 Å²	162	140.7 Å²	140.7	85%	0.848	83%	0.825	S	S	*	*			trans	-42.1	125.1	169.9	-132.1	73.8	0	0	0	112
335	L	38.8	Very low	37.5	Very low	179 Å²	179	139.2 Å²	139.2	94%	0.937	83%	0.827	S	S	*	*			trans	-102.4	100.6	154.8	-74.9	167.5	0	0	0	106.3
336	K	39.1	Very low	37.1	Very low	193 Å²	193	138.6 Å²	138.6	84%	0.839	83%	0.831	S	S	*	*			trans	-88.2	117.4	167.7	-171.9	172.6	178.7	-178.7	0	106.7
337	G	31.9	Very low	37.1	Very low	77 Å²	77	142.8 Å²	142.8	79%	0.794	85%	0.853	S	S	*	*			trans	-71.9	153.5	173.3	0	0	0	0	0	113
338	G	35	Very low	37	Very low	65 Å²	65	146 Å²	146	67%	0.67	86%	0.858	S	S	*	*			trans	-162.1	104.7	155.2	0	0	0	0	0	103.6
339	S	34.8	Very low	37.2	Very low	106 Å²	106	146.9 Å²	146.9	74%	0.741	86%	0.858	S	S	*	*				65.9	137	82.6	71	0	0	0	0	112.9
340	D	38.7	Very low	37.3	Very low	152 Å²	152	148.8 Å²	148.8	81%	0.813	86%	0.858	S	S	*	*			trans	106.4	121	173.9	-57.6	-12.9	0	0	0	112.8
341	S	42.8	Very low	37	Very low	111 Å²	111	151.9 Å²	151.9	78%	0.776	87%	0.865	S	S	*	*			cis	-159.6	161.4	1.9	-66.7	0	0	0	0	108.3
342	D	41.6	Very low	37	Very low	244 Å²	244	158.5 Å²	158.5	100%	1.305	87%	0.869	S	S	*	*			trans	-51.4	0	168.3	-76.3	-47.5	0	0	0	114.1

Retrieved 342 of 342 residues in 185.2 ms (Link to these results)

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