A0A096MNW3_PAPAN Loading...

Kelch-like protein 6

Involved in B-lymphocyte antigen receptor signaling and germinal center formation.

AlphaFold DB (A0A2K5LYN8), UniProt , Accession A0A096MNW3, Species PAPAN (Papio anubis, Olive baboon), Gene KLHL6, Length 621 aa.

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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	31.3	Very low	28.8	Very low	249 Å²	249	158.9 Å²	158.9	100%	1.227	89%	0.885	S	S	*	*				0	116.3	0	-159.2	168.1	178.7	0	0	106.6
2	L	31.8	Very low	28.6	Very low	173 Å²	173	161.8 Å²	161.8	91%	0.906	89%	0.89	S	S	*	*			trans	-64.2	145	-175	-79.5	144	0	0	0	111.9
3	M	27.6	Very low	28.4	Very low	188 Å²	188	154.5 Å²	154.5	93%	0.926	88%	0.875	S	S	*	*				-176.1	146.5	126.3	-97.6	-70	-147.3	0	0	111.3
4	A	31.6	Very low	28.3	Very low	100 Å²	100	155.1 Å²	155.1	83%	0.826	88%	0.875	S	S	*	*			trans	-74.4	158.6	-171	0	0	0	0	0	114.8
5	G	29.4	Very low	28.6	Very low	83 Å²	83	153.5 Å²	153.5	86%	0.856	87%	0.869	S	S	*	*			trans	-142.4	118.2	165.6	0	0	0	0	0	110.2
6	Q	30.2	Very low	28.7	Very low	161 Å²	161	151.8 Å²	151.8	75%	0.752	86%	0.863	S	S	*	*			trans	-98.8	150.3	-172.2	-120.3	-175	10.8	0	0	112
7	R	29	Very low	28.6	Very low	228 Å²	228	151.1 Å²	151.1	86%	0.86	85%	0.851	S	S	*	*			trans	79.7	128.1	146.3	-67.8	174.1	-173.5	-153.4	-1.5	120.7
8	G	26.2	Very low	28.5	Very low	76 Å²	76	151.3 Å²	151.3	78%	0.784	84%	0.841	S	S	*	*			trans	150.7	90.3	133	0	0	0	0	0	118.1
9	A	26.8	Very low	28.3	Very low	96 Å²	96	148 Å²	148	79%	0.793	83%	0.829	S	S	*	*			trans	69.4	107.6	148.7	0	0	0	0	0	121.5
10	W	24.8	Very low	28.2	Very low	263 Å²	263	148.7 Å²	148.7	100%	0.996	83%	0.83	S	S	*	*			trans	-125.1	134.7	146.8	-76.1	87.2	0	0	0	108.3
11	T	27.7	Very low	28.2	Very low	131 Å²	131	150.3 Å²	150.3	80%	0.804	83%	0.831	S	S	*	*			trans	-102	124.7	175.2	41	0	0	0	0	111.3
12	M	26.3	Very low	27.8	Very low	194 Å²	194	142 Å²	142	96%	0.956	81%	0.809	S	S	*	*			trans	42.8	133	139.6	-70.2	-176.7	172.2	0	0	120
13	G	26.8	Very low	28.3	Very low	67 Å²	67	139.4 Å²	139.4	69%	0.691	80%	0.803	S	S	*	*			cis	-176.4	120	4.3	0	0	0	0	0	111.6
14	D	26.9	Very low	28.2	Very low	163 Å²	163	139.1 Å²	139.1	87%	0.872	80%	0.804	S	S	*	*				43.5	108.7	123.6	-60	-17.1	0	0	0	122.4
15	V	32.7	Very low	28	Very low	130 Å²	130	138.6 Å²	138.6	79%	0.788	80%	0.8	S	S	*	*			trans	-57.6	149.8	131	174.2	0	0	0	0	111.1
16	V	30.5	Very low	28.3	Very low	127 Å²	127	140.7 Å²	140.7	77%	0.77	80%	0.798	S	S	*	*			trans	-178.7	117.1	139.9	158.8	0	0	0	0	107
17	E	27.2	Very low	28	Very low	140 Å²	140	138.3 Å²	138.3	65%	0.654	80%	0.799	S	S	*	*				85	129.9	77.4	-125.2	-163	-170.5	0	0	115.4
18	K	26	Very low	28.3	Very low	154 Å²	154	133.7 Å²	133.7	67%	0.67	80%	0.797	S	S	*	*			trans	81.3	115.1	141.3	-94.1	174.3	-166.5	137.9	0	124.2
19	S	24.3	Very low	28.4	Very low	89 Å²	89	137.7 Å²	137.7	62%	0.622	80%	0.8	S	S	*	*				67.5	126.8	120.5	61.5	0	0	0	0	124.3
20	L	27.4	Very low	28.5	Very low	161 Å²	161	142 Å²	142	84%	0.843	80%	0.804	S	S	*	*			trans	59.9	130.2	135.7	-73.3	154	0	0	0	117.8
21	E	27.3	Very low	29	Very low	183 Å²	183	135.5 Å²	135.5	86%	0.855	80%	0.796	S	S	*	*			cis	-164.3	141.5	40.3	-107.6	174.6	176.9	0	0	111.6
22	G	23.5	Very low	29.2	Very low	74 Å²	74	134.6 Å²	134.6	76%	0.763	79%	0.794	S	S	*	*			trans	51.3	174.4	144.7	0	0	0	0	0	124
23	P	41.9	Very low	29.6	Very low	120 Å²	120	133.3 Å²	133.3	78%	0.779	79%	0.786	S	S	*	*			cis	-129.2	159.3	-45.8	37.5	-24.3	0	0	0	111.8
24	L	25.8	Very low	30.2	Very low	182 Å²	182	139.6 Å²	139.6	95%	0.953	80%	0.795	S	S	*	*			trans	-170.7	130	153.2	-98.6	145.2	0	0	0	111
25	A	27.4	Very low	30.8	Very low	89 Å²	89	143.1 Å²	143.1	74%	0.736	80%	0.796	S	S	*	*			trans	-88.6	-167.7	174	0	0	0	0	0	111.1
26	P	35.3	Very low	31.2	Very low	126 Å²	126	138 Å²	138	82%	0.818	77%	0.769	S	S	*	*				-117.3	155.4	-72.7	34.4	-20.7	0	0	0	110.8
27	S	23.7	Very low	32.2	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	77%	0.766	S	S	*	*			trans	-129.6	116.7	162.9	60.5	0	0	0	0	110.4
28	T	36.3	Very low	33.3	Very low	131 Å²	131	137.4 Å²	137.4	80%	0.804	77%	0.765	S	S	*	*			trans	-43.7	130.1	163.7	46.6	0	0	0	0	112.1
29	D	27.3	Very low	34.6	Very low	160 Å²	160	133.5 Å²	133.5	86%	0.856	75%	0.754	S	S	*	*			trans	-147.8	114.6	150.7	-93.1	-31.7	0	0	0	108.8
30	E	30	Very low	35.9	Very low	185 Å²	185	136.5 Å²	136.5	86%	0.864	76%	0.758	S	S	*	*			trans	-62.3	142.7	168.8	-69.3	-177	149.3	0	0	110.2	S32	E30-S32 PolarHBondContact O-N 3.17Å
31	P	33.8	Very low	37	Very low	128 Å²	128	135 Å²	135	83%	0.831	75%	0.75	S	S	*	*			trans	-80.5	112.2	170.8	19.2	-7.9	0	0	0	110.1	Q33	P31-Q33 PolarHBondContact O-N 3.16Å
32	S	32.2	Very low	38.1	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	74%	0.742	S	S	*	*			trans	-51.2	123	170	44.2	0	0	0	0	112.7	E30 K34	E30-S32 PolarHBondContact O-N 3.17Å; S32-K34 PolarHBondContact O-N 3.09Å
33	Q	36.3	Very low	39.6	Very low	167 Å²	167	136.9 Å²	136.9	78%	0.78	75%	0.748	S	S	*	*			trans	-59.2	111.4	166.9	-79.8	169.3	-31.2	0	0	110	P31 R35	P31-Q33 PolarHBondContact O-N 3.16Å; Q33-R35 PolarHBondContact O-N 3.13Å
34	K	37.5	Very low	40.5	Very low	200 Å²	200	134.5 Å²	134.5	87%	0.87	75%	0.745	S	S	*	*			trans	-68.4	112.7	165.6	-81.2	-176.2	173.6	-177.9	0	109	S32	S32-K34 PolarHBondContact O-N 3.09Å
35	R	41.2	Very low	42.3	Very low	237 Å²	237	134.6 Å²	134.6	89%	0.894	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-61.2	136	168.9	-95.9	174.9	170.2	-179	-2.7	109.9	Q33	Q33-R35 PolarHBondContact O-N 3.13Å
36	G	40.6	Very low	43.7	Very low	22 Å²	22	138.4 Å²	138.4	23%	0.227	74%	0.741	C	S	.	*	P	Polyproline II helix	trans	-53.8	144.9	-174.3	0	0	0	0	0	115.3
37	D	52.1	Low	45.7	Very low	133 Å²	133	137.3 Å²	137.3	71%	0.711	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-81.6	136.9	178.8	-72.8	-39.2	0	0	0	110.8	V39	D37-V39 PolarHBondContact O-N 3.38Å
38	L	48.7	Very low	48	Very low	121 Å²	121	138.8 Å²	138.8	63%	0.634	72%	0.724	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.3	111.4	175.5	-69.6	165.6	0	0	0	109.5	V47 F49	L38-V47 HydrophobicContact CD2-CG1 3.59Å; L38-F49 HydrophobicContact CD2-CB 4.29Å; L38-F49 HydrophobicContact CD2-CD2 4.03Å
39	V	53.5	Low	50.2	Low	73 Å²	73	138.4 Å²	138.4	44%	0.442	71%	0.711	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.5	103.3	-178.7	-175.3	0	0	0	0	110.1	D37	D37-V39 PolarHBondContact O-N 3.38Å
40	E	52	Low	52.5	Low	151 Å²	151	134.9 Å²	134.9	71%	0.706	69%	0.692	S	S	*	*	E	Extended strand (participates in β ladder)	trans	68.8	125.9	169	-65.7	-174	160.3	0	0	119.2
41	I	51.3	Low	55	Low	130 Å²	130	128.9 Å²	128.9	67%	0.667	67%	0.666	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93	104.6	169.9	-59.1	171.7	0	0	0	107.8
42	L	50.5	Low	57.1	Low	133 Å²	133	126.5 Å²	126.5	70%	0.696	66%	0.657	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.9	107.3	167.6	-87.9	149.9	0	0	0	108.8	G44	L42-G44 PolarHBondContact O-N 2.79Å
43	N	53.8	Low	59.5	Low	163 Å²	163	122.7 Å²	122.7	87%	0.872	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.5	48.3	170.3	-74.6	-5.6	0	0	0	116.4	E45	N43-E45 PolarHBondContact O-N 3.26Å
44	G	61.8	Low	61.9	Low	70 Å²	70	118.7 Å²	118.7	72%	0.722	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.4	-10.8	158.4	0	0	0	0	0	118.8	L42	L42-G44 PolarHBondContact O-N 2.79Å
45	E	63	Low	64.1	Low	185 Å²	185	113.1 Å²	113.1	86%	0.864	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-5	-178.3	-73.9	-171.2	160.5	0	0	114.6	N43	N43-E45 PolarHBondContact O-N 3.26Å
46	K	57.6	Low	66.2	Low	169 Å²	169	106.6 Å²	106.6	74%	0.735	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.5	130.7	177.1	-65	-178.4	-177.2	176.4	0	111.1
47	V	75.7	Confident	68.5	Low	102 Å²	102	109.9 Å²	109.9	62%	0.618	60%	0.599	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.1	125.7	174.5	178.5	0	0	0	0	108.3	L38	L38-V47 HydrophobicContact CD2-CG1 3.59Å
48	K	72.9	Confident	70.2	Confident	144 Å²	144	108.4 Å²	108.4	63%	0.626	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.4	114.9	172.3	-170	-177.6	176.8	-168	0	108.7
49	F	81.6	Confident	72	Confident	123 Å²	123	104.3 Å²	104.3	54%	0.539	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.2	123.1	173.8	174.3	-111	0	0	0	108.9	L38 D51	L38-F49 HydrophobicContact CD2-CB 4.29Å; L38-F49 HydrophobicContact CD2-CD2 4.03Å; F49-D51 HydrophobicContact CE1-CB 3.68Å; F49-D51 HydrophobicContact CZ-CB 3.88Å
50	D	76.4	Confident	73.7	Confident	85 Å²	85	105.3 Å²	105.3	46%	0.455	57%	0.571	S	S	.	*			trans	-114.7	104.3	178.2	-158.4	-13.7	0	0	0	109.3	A52	D50-A52 PolarHBondContact O-N 2.69Å
51	D	82.6	Confident	75.4	Confident	59 Å²	59	99.7 Å²	99.7	32%	0.316	55%	0.553	S	S	.	*			trans	-90	86.4	176.5	-170.9	-6.7	0	0	0	110.2	F49 G53 L54	F49-D51 HydrophobicContact CE1-CB 3.68Å; F49-D51 HydrophobicContact CZ-CB 3.88Å; D51-G53 PolarHBondContact O-N 3.28Å; D51-G53 WeakPolarHBondContact OD1-CA 3.05Å; D51-G53 PolarHBondContact OD1-N 2.81Å; D51-L54 HydrophobicContact CB-CB 4.13Å; D51-L54 PolarHBondContact O-N 2.68Å; D51-L54 PolarHBondContact OD1-N 3.47Å; D51-L54 VanDerWaalsContact OD1-N 3.17Å
52	A	77.1	Confident	77.2	Confident	78 Å²	78	96.5 Å²	96.5	65%	0.645	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.3	175.8	0	0	0	0	0	112.8	D50 S55	D50-A52 PolarHBondContact O-N 2.69Å; A52-S55 PolarHBondContact O-OG 3.38Å
53	G	82.6	Confident	79.1	Confident	31 Å²	31	91.8 Å²	91.8	32%	0.32	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-24.3	-176.9	0	0	0	0	0	114.4	D51 S55 L56 I57	D51-G53 PolarHBondContact O-N 3.28Å; D51-G53 WeakPolarHBondContact OD1-CA 3.05Å; D51-G53 PolarHBondContact OD1-N 2.81Å; G53-S55 PolarHBondContact O-N 2.84Å; G53-L56 PolarHBondContact O-N 2.83Å; G53-L56 VanDerWaalsContact O-N 3.16Å; G53-I57 PolarHBondContact O-N 3.49Å
54	L	87.4	Confident	80.8	Confident	84 Å²	84	87.6 Å²	87.6	44%	0.44	49%	0.492	S	S	.	.	H	α-helix	trans	-57.1	-36.3	179.9	-179.1	62	0	0	0	112.3	D51 L56 I57 L58	D51-L54 HydrophobicContact CB-CB 4.13Å; D51-L54 PolarHBondContact O-N 2.68Å; D51-L54 PolarHBondContact OD1-N 3.47Å; D51-L54 VanDerWaalsContact OD1-N 3.17Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L54-L56 PolarHBondContact O-N 3.03Å; L54-I57 PolarHBondContact O-N 2.93Å; L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CG 4.13Å; L54-L58 HydrophobicContact CD2-CD1 4.47Å; L54-L58 HydrophobicContact CG-CD1 3.94Å; L54-L58 HydrophobicContact CG-CG 4.22Å; L54-L58 WeakPolarHBondContact O-CB 3.14Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 3.28Å
55	S	84.5	Confident	82.1	Confident	82 Å²	82	86.9 Å²	86.9	57%	0.573	47%	0.472	S	S	*	.	H	α-helix	trans	-57.5	-43.9	178.4	63	0	0	0	0	112.7	A52 G53 Q59	A52-S55 PolarHBondContact O-OG 3.38Å; G53-S55 PolarHBondContact O-N 2.84Å; S55-Q59 VanDerWaalsContact O-CB 3.29Å; S55-Q59 WeakPolarHBondContact O-CB 3.37Å; S55-Q59 PolarHBondContact O-N 2.89Å
56	L	85.3	Confident	83.4	Confident	100 Å²	100	79 Å²	79	52%	0.524	43%	0.434	S	S	.	.	H	α-helix	trans	-71.9	-37	178.9	-173.3	66.2	0	0	0	111.9	G53 L54 Q59 N60	G53-L56 PolarHBondContact O-N 2.83Å; G53-L56 VanDerWaalsContact O-N 3.16Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L54-L56 PolarHBondContact O-N 3.03Å; L56-Q59 PolarHBondContact O-N 3.43Å; L56-N60 WeakPolarHBondContact O-CB 3.42Å; L56-N60 VanDerWaalsContact O-CG 3.28Å; L56-N60 PolarHBondContact O-N 3.46Å; L56-N60 PolarHBondContact O-ND2 2.91Å
57	I	87.6	Confident	84.8	Confident	92 Å²	92	77.1 Å²	77.1	47%	0.472	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-46.3	176.5	-61.9	173.6	0	0	0	110.3	G53 L54 Q59 N60 G61	G53-I57 PolarHBondContact O-N 3.49Å; L54-I57 PolarHBondContact O-N 2.93Å; I57-Q59 VanDerWaalsContact C-N 3.31Å; I57-Q59 PolarHBondContact O-N 2.85Å; I57-N60 PolarHBondContact O-N 2.94Å; I57-G61 PolarHBondContact O-N 2.73Å
58	L	87.4	Confident	85.5	Confident	101 Å²	101	78.8 Å²	78.8	53%	0.529	43%	0.43	S	S	.	.	H	α-helix	trans	-61	-42.8	175.7	-73.2	173.3	0	0	0	111.2	L54 G61 L62	L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CG 4.13Å; L54-L58 HydrophobicContact CD2-CD1 4.47Å; L54-L58 HydrophobicContact CG-CD1 3.94Å; L54-L58 HydrophobicContact CG-CG 4.22Å; L54-L58 WeakPolarHBondContact O-CB 3.14Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 3.28Å; L58-G61 PolarHBondContact O-N 3.16Å; L58-L62 WeakPolarHBondContact O-CB 3.21Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.15Å; L58-L62 PolarHBondContact O-N 3.16Å
59	Q	88.1	Confident	86.2	Confident	36 Å²	36	76.4 Å²	76.4	17%	0.168	42%	0.424	C	S	.	.	H	α-helix	trans	-60.4	-51.1	177.9	-177.2	164.5	26.5	0	0	112.1	S55 L56 I57 G61 L62 E63 Y131 S133	S55-Q59 VanDerWaalsContact O-CB 3.29Å; S55-Q59 WeakPolarHBondContact O-CB 3.37Å; S55-Q59 PolarHBondContact O-N 2.89Å; L56-Q59 PolarHBondContact O-N 3.43Å; I57-Q59 VanDerWaalsContact C-N 3.31Å; I57-Q59 PolarHBondContact O-N 2.85Å; Q59-G61 VanDerWaalsContact C-N 3.31Å; Q59-G61 PolarHBondContact O-N 2.94Å; Q59-L62 PolarHBondContact O-N 2.86Å; Q59-E63 PolarHBondContact O-N 3.43Å; Q59-Y131 WeakPolarHBondContact CG-O 3.22Å; Q59-Y131 VanDerWaalsContact NE2-C 3.3Å; Q59-Y131 PolarHBondContact NE2-O 3.07Å; Q59-S133 PolarHBondContact NE2-OG 3.05Å; Q59-S133 PolarHBondContact OE1-OG 3.05Å
60	N	87.5	Confident	86.3	Confident	93 Å²	93	72 Å²	72	50%	0.497	41%	0.411	S	S	.	.	H	α-helix	trans	-62.3	-39.2	177.3	-69.7	-17.6	0	0	0	111.8	L56 I57 E63 T64	L56-N60 WeakPolarHBondContact O-CB 3.42Å; L56-N60 VanDerWaalsContact O-CG 3.28Å; L56-N60 PolarHBondContact O-N 3.46Å; L56-N60 PolarHBondContact O-ND2 2.91Å; I57-N60 PolarHBondContact O-N 2.94Å; N60-E63 PolarHBondContact O-N 2.81Å; N60-T64 PolarHBondContact O-N 3.23Å; N60-T64 PolarHBondContact O-OG1 3Å; N60-T64 VanDerWaalsContact O-OG1 3.1Å
61	G	88.3	Confident	86.9	Confident	33 Å²	33	74.9 Å²	74.9	34%	0.34	43%	0.425	S	S	.	.	H	α-helix	trans	-62.9	-43.1	175.8	0	0	0	0	0	112.8	I57 L58 Q59 E63 T64 L65	I57-G61 PolarHBondContact O-N 2.73Å; L58-G61 PolarHBondContact O-N 3.16Å; Q59-G61 VanDerWaalsContact C-N 3.31Å; Q59-G61 PolarHBondContact O-N 2.94Å; G61-E63 VanDerWaalsContact C-N 3.33Å; G61-E63 PolarHBondContact O-N 2.91Å; G61-T64 PolarHBondContact O-N 3.32Å; G61-L65 VanDerWaalsContact O-CG 3.29Å; G61-L65 WeakPolarHBondContact O-CG 3.35Å; G61-L65 PolarHBondContact O-N 3.46Å
62	L	89.7	Confident	87.1	Confident	64 Å²	64	73.6 Å²	73.6	34%	0.335	42%	0.419	S	S	.	.	H	α-helix	trans	-65.7	-34.6	177.3	-73.9	169.1	0	0	0	112.6	L58 Q59 R66 V89 Y131	L58-L62 WeakPolarHBondContact O-CB 3.21Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.15Å; L58-L62 PolarHBondContact O-N 3.16Å; Q59-L62 PolarHBondContact O-N 2.86Å; L62-R66 PolarHBondContact O-N 3.1Å; L62-V89 HydrophobicContact CD1-CG2 4.14Å; L62-V89 HydrophobicContact CD2-CG2 4.29Å; L62-Y131 HydrophobicContact CB-CD1 4.26Å; L62-Y131 HydrophobicContact CB-CE1 4.42Å
63	E	89.5	Confident	87.7	Confident	34 Å²	34	73.1 Å²	73.1	16%	0.159	41%	0.406	C	S	.	.	H	α-helix	trans	-68.3	-45.6	174.6	177.1	58.3	-176.6	0	0	111.9	Q59 N60 G61 L65 R66 M67 Y131 T132	Q59-E63 PolarHBondContact O-N 3.43Å; N60-E63 PolarHBondContact O-N 2.81Å; G61-E63 VanDerWaalsContact C-N 3.33Å; G61-E63 PolarHBondContact O-N 2.91Å; E63-L65 VanDerWaalsContact C-N 3.3Å; E63-L65 PolarHBondContact O-N 3.26Å; E63-R66 WeakPolarHBondContact O-CB 3.4Å; E63-R66 PolarHBondContact O-N 3.1Å; E63-R66 VanDerWaalsContact O-N 3.12Å; E63-R66 IonicContact OE1-CZ 3.59Å; E63-R66 IonicContact OE1-NE 3.65Å; E63-R66 IonicContact OE1-NH2 2.74Å; E63-R66 PolarHBondContact OE1-NH2 2.91Å; E63-R66 IonicContact OE2-CZ 3.41Å; E63-R66 IonicContact OE2-NE 2.78Å; E63-R66 PolarHBondContact OE2-NE 3.17Å; E63-R66 IonicContact OE2-NH2 3.2Å; E63-R66 PolarHBondContact OE2-NH2 2.93Å; E63-M67 WeakPolarHBondContact O-CG 3.44Å; E63-M67 PolarHBondContact O-N 2.98Å; E63-Y131 WeakPolarHBondContact OE2-CB 3.39Å; E63-T132 HydrophobicContact CG-CG2 4.19Å
64	T	89.4	Confident	88.1	Confident	74 Å²	74	71.7 Å²	71.7	45%	0.454	39%	0.391	S	S	.	.	H	α-helix	trans	-58.2	-44.2	174.8	-55.4	0	0	0	0	111.3	N60 G61 R66 M67 E68	N60-T64 PolarHBondContact O-N 3.23Å; N60-T64 PolarHBondContact O-OG1 3Å; N60-T64 VanDerWaalsContact O-OG1 3.1Å; G61-T64 PolarHBondContact O-N 3.32Å; T64-R66 VanDerWaalsContact C-N 3.3Å; T64-R66 PolarHBondContact O-N 3.28Å; T64-M67 PolarHBondContact O-N 2.99Å; T64-E68 WeakPolarHBondContact O-CG 3.43Å; T64-E68 PolarHBondContact O-N 2.87Å
65	L	90.3	Very high	88.3	Confident	56 Å²	56	69.2 Å²	69.2	29%	0.293	38%	0.378	S	S	.	.	H	α-helix	trans	-61.2	-38	176.7	-72	171.7	0	0	0	112.3	G61 E63 N69 A70	G61-L65 VanDerWaalsContact O-CG 3.29Å; G61-L65 WeakPolarHBondContact O-CG 3.35Å; G61-L65 PolarHBondContact O-N 3.46Å; E63-L65 VanDerWaalsContact C-N 3.3Å; E63-L65 PolarHBondContact O-N 3.26Å; L65-N69 PolarHBondContact O-N 3.48Å; L65-A70 HydrophobicContact CD2-CB 3.8Å; L65-A70 PolarHBondContact O-N 3.42Å
66	R	90	Very high	88.6	Confident	20 Å²	20	65.3 Å²	65.3	8%	0.075	35%	0.351	C	S	.	.	H	α-helix	trans	-62.5	-47.9	174.2	-175	-175.5	72.5	108.9	-10.9	111.2	L62 E63 T64 E68 N69 D128 Y131	L62-R66 PolarHBondContact O-N 3.1Å; E63-R66 WeakPolarHBondContact O-CB 3.4Å; E63-R66 PolarHBondContact O-N 3.1Å; E63-R66 VanDerWaalsContact O-N 3.12Å; E63-R66 IonicContact OE1-CZ 3.59Å; E63-R66 IonicContact OE1-NE 3.65Å; E63-R66 IonicContact OE1-NH2 2.74Å; E63-R66 PolarHBondContact OE1-NH2 2.91Å; E63-R66 IonicContact OE2-CZ 3.41Å; E63-R66 IonicContact OE2-NE 2.78Å; E63-R66 PolarHBondContact OE2-NE 3.17Å; E63-R66 IonicContact OE2-NH2 3.2Å; E63-R66 PolarHBondContact OE2-NH2 2.93Å; T64-R66 VanDerWaalsContact C-N 3.3Å; T64-R66 PolarHBondContact O-N 3.28Å; R66-E68 VanDerWaalsContact C-N 3.31Å; R66-E68 PolarHBondContact O-N 3.23Å; R66-N69 PolarHBondContact O-N 3.15Å; R66-D128 IonicContact CZ-OD1 3.85Å; R66-D128 IonicContact NH2-OD1 2.91Å; R66-D128 PolarHBondContact NH2-OD1 3.05Å; R66-Y131 HydrophobicContact CB-CD1 4.22Å; R66-Y131 HydrophobicContact CB-CE1 3.91Å; R66-Y131 VanDerWaalsContact CD-CE2 3.48Å; R66-Y131 HydrophobicContact CG-CE1 4.29Å
67	M	87.6	Confident	88.8	Confident	129 Å²	129	61.4 Å²	61.4	64%	0.635	33%	0.331	S	S	*	.	H	α-helix	trans	-65	-33.7	-178.9	-66.5	-62	-81.8	0	0	112.7	E63 T64 N69	E63-M67 WeakPolarHBondContact O-CG 3.44Å; E63-M67 PolarHBondContact O-N 2.98Å; T64-M67 PolarHBondContact O-N 2.99Å; M67-N69 VanDerWaalsContact C-N 3.26Å; M67-N69 PolarHBondContact O-N 3.21Å
68	E	89.8	Confident	88.9	Confident	136 Å²	136	57 Å²	57	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.1	174.4	-67.7	-179.5	174.2	0	0	113.5	T64 R66 A70	T64-E68 WeakPolarHBondContact O-CG 3.43Å; T64-E68 PolarHBondContact O-N 2.87Å; R66-E68 VanDerWaalsContact C-N 3.31Å; R66-E68 PolarHBondContact O-N 3.23Å; E68-A70 HydrophobicContact CB-CB 4.29Å; E68-A70 PolarHBondContact O-N 3.31Å; E68-A70 VanDerWaalsContact O-N 3.17Å
69	N	87	Confident	88.8	Confident	94 Å²	94	58.1 Å²	58.1	50%	0.503	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	22.5	-170.1	-63.1	-74.6	0	0	0	113.9	L65 R66 M67 T72 S84	L65-N69 PolarHBondContact O-N 3.48Å; R66-N69 PolarHBondContact O-N 3.15Å; M67-N69 VanDerWaalsContact C-N 3.26Å; M67-N69 PolarHBondContact O-N 3.21Å; N69-T72 PolarHBondContact O-OG1 3.12Å; N69-S84 WeakPolarHBondContact OD1-CB 3.48Å; N69-S84 PolarHBondContact OD1-OG 3.47Å
70	A	85.4	Confident	88.6	Confident	31 Å²	31	64.4 Å²	64.4	26%	0.256	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	133.2	-178.6	0	0	0	0	0	110.6	L65 E68 T72 H86	L65-A70 HydrophobicContact CD2-CB 3.8Å; L65-A70 PolarHBondContact O-N 3.42Å; E68-A70 HydrophobicContact CB-CB 4.29Å; E68-A70 PolarHBondContact O-N 3.31Å; E68-A70 VanDerWaalsContact O-N 3.17Å; A70-T72 PolarHBondContact O-N 3.48Å; A70-T72 VanDerWaalsContact O-N 3.15Å; A70-H86 PolarHBondContact O-NE2 3.2Å
71	L	87.2	Confident	88.7	Confident	146 Å²	146	64.9 Å²	64.9	76%	0.764	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	14.8	178.7	-56.6	173.2	0	0	0	116	H86	L71-H86 PolarHBondContact O-CD2 2.99Å; L71-H86 VanDerWaalsContact O-CD2 3.23Å
72	T	88.4	Confident	88.8	Confident	31 Å²	31	68.4 Å²	68.4	19%	0.19	36%	0.355	C	S	.	.			trans	-71.4	132.2	175.5	57.7	0	0	0	0	111.8	N69 A70 C85	N69-T72 PolarHBondContact O-OG1 3.12Å; A70-T72 PolarHBondContact O-N 3.48Å; A70-T72 VanDerWaalsContact O-N 3.15Å; T72-C85 WeakPolarHBondContact CB-O 3.42Å
73	D	89.8	Confident	88.9	Confident	69 Å²	69	66.3 Å²	66.3	37%	0.369	34%	0.344	S	S	.	.			trans	-119.4	0.7	-171.6	64.8	-13.6	0	0	0	113.4	C85 H86 R87	D73-C85 PolarHBondContact N-O 3.41Å; D73-C85 VanDerWaalsContact N-O 3.16Å; D73-H86 VanDerWaalsContact OD1-CA 3.25Å; D73-H86 WeakPolarHBondContact OD1-CA 3.19Å; D73-R87 PolarHBondContact O-NE 3.2Å; D73-R87 WeakPolarHBondContact OD1-CG 3.25Å; D73-R87 PolarHBondContact OD1-N 3.07Å; D73-R87 WeakPolarHBondContact OD2-CB 3.48Å
74	V	90.3	Very high	89	Confident	1 Å²	1	66 Å²	66	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	145.7	174.2	64.8	0	0	0	0	111.3	L76 C85 R87 L90 F101 I113	V74-L76 HydrophobicContact CG2-CD2 4.35Å; V74-C85 HydrophobicContact CG1-CB 4Å; V74-C85 WeakPolarHBondContact CG1-O 3.5Å; V74-C85 PolarHBondContact N-O 2.93Å; V74-C85 PolarHBondContact O-N 3.03Å; V74-R87 HydrophobicContact CB-CG 3.76Å; V74-R87 HydrophobicContact CG1-CG 3.72Å; V74-L90 HydrophobicContact CG1-CD1 4.23Å; V74-F101 HydrophobicContact CG2-CZ 4.42Å; V74-I113 HydrophobicContact CG2-CD1 3.68Å; V74-I113 HydrophobicContact CG2-CG1 4.18Å
75	I	91.3	Very high	89.2	Confident	32 Å²	32	62.4 Å²	62.4	16%	0.164	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119	172.5	-55.8	176	0	0	0	107.9	E82 F83 K111 R112 I113	I75-E82 HydrophobicContact CG2-CB 3.88Å; I75-E82 HydrophobicContact CG2-CG 4.42Å; I75-F83 CarbonylContact C-O 3.58Å; I75-F83 WeakPolarHBondContact CA-O 3.34Å; I75-K111 PolarHBondContact N-O 2.78Å; I75-R112 HydrophobicContact CB-CG 4.24Å; I75-R112 HydrophobicContact CD1-CG 4.44Å; I75-R112 WeakPolarHBondContact O-CA 3.13Å; I75-I113 PolarHBondContact O-N 3.4Å
76	L	90.6	Very high	89.3	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.6	172.8	-58.3	179.3	0	0	0	108.9	V74 F83 L90 F97 I113 I115 M123 L127	V74-L76 HydrophobicContact CG2-CD2 4.35Å; L76-F83 HydrophobicContact CB-CB 4.38Å; L76-F83 PolarHBondContact N-O 3.4Å; L76-F83 PolarHBondContact O-N 3.48Å; L76-L90 HydrophobicContact CD1-CD1 4.01Å; L76-F97 HydrophobicContact CD1-CE1 4.47Å; L76-F97 HydrophobicContact CD1-CZ 4.44Å; L76-I113 HydrophobicContact CD2-CB 4.2Å; L76-I115 HydrophobicContact CD2-CD1 4.44Å; L76-I115 HydrophobicContact CD2-CG1 4.26Å; L76-M123 HydrophobicContact CD1-SD 4.46Å; L76-L127 HydrophobicContact CD1-CD2 4.38Å
77	C	90	Very high	89.3	Confident	17 Å²	17	61.1 Å²	61.1	12%	0.115	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	113.3	175.4	-60.3	0	0	0	0	108.6	I113 I114 I115	C77-I113 PolarHBondContact N-O 3.34Å; C77-I114 HydrophobicContact CB-CG1 4.39Å; C77-I115 PolarHBondContact O-N 3.38Å
78	V	89	Confident	89.4	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.2	177	-169.3	0	0	0	0	108.2	I80 Q81 F83 I115 V118 M123	V78-I80 PolarHBondContact O-N 2.97Å; V78-Q81 PolarHBondContact N-O 2.86Å; V78-Q81 PolarHBondContact O-N 3.29Å; V78-F83 HydrophobicContact CB-CE2 4.17Å; V78-F83 HydrophobicContact CG2-CD2 4.23Å; V78-F83 HydrophobicContact CG2-CE2 4.19Å; V78-I115 HydrophobicContact CG2-CB 4.08Å; V78-V118 WeakPolarHBondContact CG1-O 3.35Å; V78-M123 HydrophobicContact CG2-CB 4.12Å; V78-M123 HydrophobicContact CG2-CE 4.05Å; V78-M123 HydrophobicContact CG2-CG 3.81Å
79	D	84.9	Confident	89.5	Confident	125 Å²	125	54.5 Å²	54.5	67%	0.668	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	-109.1	-169.5	-59.3	-38.6	0	0	0	112.5
80	I	84.6	Confident	89.7	Confident	168 Å²	168	50 Å²	50	86%	0.862	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-6.2	180	-48.1	173.8	0	0	0	110.9	V78	V78-I80 PolarHBondContact O-N 2.97Å
81	Q	89.7	Confident	89.9	Confident	103 Å²	103	49.3 Å²	49.3	48%	0.481	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	143.7	-176.7	-66.3	-172	4.7	0	0	111.9	V78 F83 A120	V78-Q81 PolarHBondContact N-O 2.86Å; V78-Q81 PolarHBondContact O-N 3.29Å; Q81-F83 HydrophobicContact CB-CE2 3.91Å; Q81-F83 HydrophobicContact CB-CZ 4.04Å; Q81-A120 HydrophobicContact CB-CB 4.08Å; Q81-A120 HydrophobicContact CG-CB 4.05Å
82	E	91.4	Very high	90	Very high	106 Å²	106	46.6 Å²	46.6	50%	0.495	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.6	177.2	-61.7	-165.9	151.7	0	0	110	I75 R112	I75-E82 HydrophobicContact CG2-CB 3.88Å; I75-E82 HydrophobicContact CG2-CG 4.42Å; E82-R112 IonicContact OE1-CZ 3.49Å; E82-R112 IonicContact OE1-NE 3.58Å; E82-R112 IonicContact OE1-NH2 2.69Å; E82-R112 PolarHBondContact OE1-NH2 2.91Å
83	F	91.8	Very high	90.1	Very high	20 Å²	20	46.7 Å²	46.7	9%	0.088	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	112.6	179.9	-59	-84.4	0	0	0	110.4	I75 L76 V78 Q81 A120 M123 H124 L127	I75-F83 CarbonylContact C-O 3.58Å; I75-F83 WeakPolarHBondContact CA-O 3.34Å; L76-F83 HydrophobicContact CB-CB 4.38Å; L76-F83 PolarHBondContact N-O 3.4Å; L76-F83 PolarHBondContact O-N 3.48Å; V78-F83 HydrophobicContact CB-CE2 4.17Å; V78-F83 HydrophobicContact CG2-CD2 4.23Å; V78-F83 HydrophobicContact CG2-CE2 4.19Å; Q81-F83 HydrophobicContact CB-CE2 3.91Å; Q81-F83 HydrophobicContact CB-CZ 4.04Å; F83-A120 HydrophobicContact CE2-CB 4.45Å; F83-A120 HydrophobicContact CZ-CB 4.32Å; F83-M123 HydrophobicContact CD2-CG 4.25Å; F83-M123 HydrophobicContact CE2-CB 4.37Å; F83-M123 HydrophobicContact CE2-CG 4.21Å; F83-H124 HydrophobicContact CE1-CB 4.17Å; F83-H124 HydrophobicContact CZ-CB 4.43Å; F83-L127 HydrophobicContact CB-CD1 3.61Å; F83-L127 HydrophobicContact CD1-CD1 3.73Å; F83-L127 HydrophobicContact CD2-CD1 4.41Å; F83-L127 HydrophobicContact CG-CD1 3.67Å
84	S	91.6	Very high	90.2	Very high	27 Å²	27	43.5 Å²	43.5	19%	0.189	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.1	173	-52.4	0	0	0	0	110.3	N69	N69-S84 WeakPolarHBondContact OD1-CB 3.48Å; N69-S84 PolarHBondContact OD1-OG 3.47Å
85	C	92.8	Very high	90.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	173.7	-174.5	-62.9	0	0	0	0	112	T72 D73 V74 L90	T72-C85 WeakPolarHBondContact CB-O 3.42Å; D73-C85 PolarHBondContact N-O 3.41Å; D73-C85 VanDerWaalsContact N-O 3.16Å; V74-C85 HydrophobicContact CG1-CB 4Å; V74-C85 WeakPolarHBondContact CG1-O 3.5Å; V74-C85 PolarHBondContact N-O 2.93Å; V74-C85 PolarHBondContact O-N 3.03Å; C85-L90 HydrophobicContact CB-CD1 3.75Å; C85-L90 HydrophobicContact CB-CG 4.33Å
86	H	92.7	Very high	90.1	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.056	28%	0.277	C	S	.	.			trans	-106.6	119.6	174.7	-55.8	113.1	0	0	0	109.6	A70 L71 D73 V88 V89 L90 Y131	A70-H86 PolarHBondContact O-NE2 3.2Å; L71-H86 PolarHBondContact O-CD2 2.99Å; L71-H86 VanDerWaalsContact O-CD2 3.23Å; D73-H86 VanDerWaalsContact OD1-CA 3.25Å; D73-H86 WeakPolarHBondContact OD1-CA 3.19Å; H86-V88 HydrophobicContact CB-CG1 4.34Å; H86-V88 PolarHBondContact O-N 3.45Å; H86-V89 HydrophobicContact CB-CB 4.1Å; H86-V89 HydrophobicContact CB-CG2 3.75Å; H86-V89 PolarHBondContact O-N 3.23Å; H86-V89 VanDerWaalsContact O-N 3.1Å; H86-L90 PolarHBondContact O-N 3.06Å; H86-L90 VanDerWaalsContact O-N 3.1Å; H86-Y131 PolarHBondContact N-OH 2.98Å; H86-Y131 AromaticContact ND1-CE1 3.51Å; H86-Y131 AromaticContact ND1-CZ 3.73Å; H86-Y131 PolarHBondContact ND1-OH 3.09Å
87	R	89.8	Confident	90.1	Very high	37 Å²	37	50.3 Å²	50.3	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-54.7	-40.8	178.7	-69.9	175.8	-179.9	-100.4	-0.3	111.8	D73 V74 V89 L90 A91 F101 E107 K108 E110	D73-R87 PolarHBondContact O-NE 3.2Å; D73-R87 WeakPolarHBondContact OD1-CG 3.25Å; D73-R87 PolarHBondContact OD1-N 3.07Å; D73-R87 WeakPolarHBondContact OD2-CB 3.48Å; V74-R87 HydrophobicContact CB-CG 3.76Å; V74-R87 HydrophobicContact CG1-CG 3.72Å; R87-V89 VanDerWaalsContact C-N 3.35Å; R87-V89 PolarHBondContact O-N 3.12Å; R87-L90 PolarHBondContact O-N 3.38Å; R87-A91 WeakPolarHBondContact O-CB 3.21Å; R87-A91 PolarHBondContact O-N 3.03Å; R87-F101 HydrophobicContact CB-CD2 3.84Å; R87-F101 HydrophobicContact CB-CE2 4.04Å; R87-F101 HydrophobicContact CB-CG 4.28Å; R87-F101 HydrophobicContact CG-CD1 4.38Å; R87-F101 HydrophobicContact CG-CD2 4.12Å; R87-F101 HydrophobicContact CG-CE1 4.32Å; R87-F101 HydrophobicContact CG-CE2 4.07Å; R87-F101 HydrophobicContact CG-CG 4.29Å; R87-F101 HydrophobicContact CG-CZ 4.17Å; R87-E107 PolarHBondContact NH1-O 3.3Å; R87-E107 PolarHBondContact NH2-O 3.27Å; R87-K108 PolarHBondContact NH1-O 3.04Å; R87-E110 PolarHBondContact NH2-O 2.74Å
88	V	89.8	Confident	90	Very high	106 Å²	106	56.5 Å²	56.5	64%	0.642	30%	0.298	S	S	*	.	H	α-helix	trans	-63.5	-39.5	-179.5	68.5	0	0	0	0	112.2	H86 A92	H86-V88 HydrophobicContact CB-CG1 4.34Å; H86-V88 PolarHBondContact O-N 3.45Å; V88-A92 VanDerWaalsContact O-CB 3.26Å; V88-A92 WeakPolarHBondContact O-CB 3.34Å; V88-A92 PolarHBondContact O-N 3.48Å
89	V	91.3	Very high	89.9	Confident	19 Å²	19	58.4 Å²	58.4	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-70.3	-46.5	179.5	178.8	0	0	0	0	109.8	L62 H86 R87 A91 A92 A93 Y131	L62-V89 HydrophobicContact CD1-CG2 4.14Å; L62-V89 HydrophobicContact CD2-CG2 4.29Å; H86-V89 HydrophobicContact CB-CB 4.1Å; H86-V89 HydrophobicContact CB-CG2 3.75Å; H86-V89 PolarHBondContact O-N 3.23Å; H86-V89 VanDerWaalsContact O-N 3.1Å; R87-V89 VanDerWaalsContact C-N 3.35Å; R87-V89 PolarHBondContact O-N 3.12Å; V89-A91 PolarHBondContact O-N 3.4Å; V89-A92 PolarHBondContact O-N 2.84Å; V89-A93 WeakPolarHBondContact O-CB 3.06Å; V89-A93 PolarHBondContact O-N 2.99Å; V89-Y131 HydrophobicContact CB-CE1 4.43Å; V89-Y131 HydrophobicContact CG1-CD1 4.4Å; V89-Y131 HydrophobicContact CG1-CD2 4.48Å; V89-Y131 HydrophobicContact CG1-CE1 4.07Å; V89-Y131 HydrophobicContact CG1-CE2 4.11Å; V89-Y131 HydrophobicContact CG2-CE1 4.31Å
90	L	90.9	Very high	89.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-44	177.4	-68.4	176.8	0	0	0	112.3	V74 L76 C85 H86 R87 A92 A93 S94 F97 F101 L127	V74-L90 HydrophobicContact CG1-CD1 4.23Å; L76-L90 HydrophobicContact CD1-CD1 4.01Å; C85-L90 HydrophobicContact CB-CD1 3.75Å; C85-L90 HydrophobicContact CB-CG 4.33Å; H86-L90 PolarHBondContact O-N 3.06Å; H86-L90 VanDerWaalsContact O-N 3.1Å; R87-L90 PolarHBondContact O-N 3.38Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 2.97Å; L90-A93 PolarHBondContact O-N 3.27Å; L90-S94 PolarHBondContact O-N 2.9Å; L90-F97 HydrophobicContact CB-CB 3.95Å; L90-F97 HydrophobicContact CB-CD2 4.16Å; L90-F97 HydrophobicContact CB-CG 4.02Å; L90-F97 HydrophobicContact CD2-CD2 4.36Å; L90-F97 HydrophobicContact CD2-CE2 4.4Å; L90-F101 HydrophobicContact CB-CE2 3.98Å; L90-F101 HydrophobicContact CD1-CE2 4.22Å; L90-F101 HydrophobicContact CD1-CZ 4.41Å; L90-L127 HydrophobicContact CD2-CD2 3.7Å
91	A	90.4	Very high	90	Very high	17 Å²	17	46 Å²	46	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-66.9	-31	176.3	0	0	0	0	0	113.2	R87 V89 R98 F101	R87-A91 WeakPolarHBondContact O-CB 3.21Å; R87-A91 PolarHBondContact O-N 3.03Å; V89-A91 PolarHBondContact O-N 3.4Å; A91-R98 HydrophobicContact CB-CB 4.2Å; A91-R98 HydrophobicContact CB-CG 4.43Å; A91-R98 WeakPolarHBondContact O-CB 3.34Å; A91-F101 HydrophobicContact CB-CD2 4.26Å
92	A	89.6	Confident	89.6	Confident	89 Å²	89	44.9 Å²	44.9	74%	0.736	25%	0.251	S	S	*	.	H	α-helix	trans	-74	-35.3	174.2	0	0	0	0	0	111.9	V88 V89 L90	V88-A92 VanDerWaalsContact O-CB 3.26Å; V88-A92 WeakPolarHBondContact O-CB 3.34Å; V88-A92 PolarHBondContact O-N 3.48Å; V89-A92 PolarHBondContact O-N 2.84Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 2.97Å
93	A	89.3	Confident	89	Confident	32 Å²	32	44.2 Å²	44.2	26%	0.264	25%	0.251	S	S	.	.	H	α-helix	trans	-83.1	-27.1	-175.9	0	0	0	0	0	113.8	V89 L90 T130 F154	V89-A93 WeakPolarHBondContact O-CB 3.06Å; V89-A93 PolarHBondContact O-N 2.99Å; L90-A93 PolarHBondContact O-N 3.27Å; A93-T130 HydrophobicContact CB-CG2 3.72Å; A93-F154 HydrophobicContact CB-CE1 3.9Å
94	S	92.4	Very high	88	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.014	28%	0.281	C	S	.	.			trans	-141.4	135.7	-175.1	148.7	0	0	0	0	113	L90 Y96 F97 R98 F152	L90-S94 PolarHBondContact O-N 2.9Å; S94-Y96 VanDerWaalsContact C-N 3.27Å; S94-Y96 PolarHBondContact O-N 3.33Å; S94-Y96 WeakPolarHBondContact OG-CB 3.42Å; S94-Y96 PolarHBondContact OG-N 3.47Å; S94-Y96 VanDerWaalsContact OG-N 3.12Å; S94-F97 PolarHBondContact O-N 3.26Å; S94-F97 PolarHBondContact OG-N 3.25Å; S94-R98 WeakPolarHBondContact O-CB 3.37Å; S94-R98 PolarHBondContact O-N 2.84Å; S94-F152 WeakPolarHBondContact CB-O 3.46Å; S94-F152 PolarHBondContact OG-O 3.24Å
95	N	88.9	Confident	87.1	Confident	93 Å²	93	52.1 Å²	52.1	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-67.4	-27.9	175.9	-71.4	-34.3	0	0	0	112.8	A99 Q153	N95-A99 WeakPolarHBondContact O-CB 3.47Å; N95-A99 PolarHBondContact O-N 3.38Å; N95-Q153 HydrophobicContact CB-CB 4.27Å
96	Y	90.6	Very high	86.1	Confident	82 Å²	82	59.4 Å²	59.4	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-52.3	176.2	174	-93.7	0	0	0	110.8	S94 R98 A99 M100 F152	S94-Y96 VanDerWaalsContact C-N 3.27Å; S94-Y96 PolarHBondContact O-N 3.33Å; S94-Y96 WeakPolarHBondContact OG-CB 3.42Å; S94-Y96 PolarHBondContact OG-N 3.47Å; S94-Y96 VanDerWaalsContact OG-N 3.12Å; Y96-R98 VanDerWaalsContact C-N 3.29Å; Y96-R98 PolarHBondContact O-N 3.05Å; Y96-A99 PolarHBondContact O-N 2.94Å; Y96-M100 HydrophobicContact CD1-CE 4.36Å; Y96-M100 HydrophobicContact CE1-CE 3.38Å; Y96-M100 PolarHBondContact O-N 2.88Å; Y96-M100 WeakPolarHBondContact OH-CE 3.26Å; Y96-F152 WeakPolarHBondContact CB-O 3.5Å; Y96-F152 AromaticContact CD1-CD1 3.59Å; Y96-F152 HydrophobicContact CD1-CD1 3.59Å; Y96-F152 HydrophobicContact CD1-CE1 4.36Å; Y96-F152 HydrophobicContact CD1-CG 4.48Å; Y96-F152 AromaticContact CE1-CD1 3.6Å; Y96-F152 HydrophobicContact CE1-CD1 3.6Å; Y96-F152 AromaticContact CE1-CE1 3.92Å; Y96-F152 HydrophobicContact CE1-CE1 3.92Å; Y96-F152 HydrophobicContact CG-CD1 4.15Å
97	F	89.8	Confident	85.3	Confident	1 Å²	1	62.1 Å²	62.1	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-67.4	-32.7	177.7	-68.6	-61.6	0	0	0	111.9	L76 L90 S94 M100 F101 F152 F154	L76-F97 HydrophobicContact CD1-CE1 4.47Å; L76-F97 HydrophobicContact CD1-CZ 4.44Å; L90-F97 HydrophobicContact CB-CB 3.95Å; L90-F97 HydrophobicContact CB-CD2 4.16Å; L90-F97 HydrophobicContact CB-CG 4.02Å; L90-F97 HydrophobicContact CD2-CD2 4.36Å; L90-F97 HydrophobicContact CD2-CE2 4.4Å; S94-F97 PolarHBondContact O-N 3.26Å; S94-F97 PolarHBondContact OG-N 3.25Å; F97-M100 HydrophobicContact CD1-SD 4.28Å; F97-M100 PolarHBondContact O-N 3.44Å; F97-F101 HydrophobicContact CB-CD2 4.27Å; F97-F101 HydrophobicContact CB-CE2 3.9Å; F97-F101 HydrophobicContact CD1-CE2 4.24Å; F97-F101 HydrophobicContact CD1-CZ 4.16Å; F97-F101 HydrophobicContact CG-CE2 4.41Å; F97-F101 WeakPolarHBondContact O-CD2 3.44Å; F97-F101 WeakPolarHBondContact O-CG 3.27Å; F97-F101 PolarHBondContact O-N 3.33Å; F97-F152 HydrophobicContact CE2-CB 4.33Å; F97-F152 HydrophobicContact CE2-CG 4.41Å; F97-F152 HydrophobicContact CZ-CD1 4.24Å; F97-F152 HydrophobicContact CZ-CG 4.4Å; F97-F154 HydrophobicContact CD2-CZ 4.28Å; F97-F154 HydrophobicContact CE2-CE2 4.08Å; F97-F154 HydrophobicContact CE2-CZ 4.04Å
98	R	88.4	Confident	84.5	Confident	147 Å²	147	63.4 Å²	63.4	56%	0.555	34%	0.343	S	S	*	.	H	α-helix	trans	-59.2	-47.6	171.3	-167.8	175.4	173.8	-164	-1.3	111.7	A91 S94 Y96 M100 F101 C102	A91-R98 HydrophobicContact CB-CB 4.2Å; A91-R98 HydrophobicContact CB-CG 4.43Å; A91-R98 WeakPolarHBondContact O-CB 3.34Å; S94-R98 WeakPolarHBondContact O-CB 3.37Å; S94-R98 PolarHBondContact O-N 2.84Å; Y96-R98 VanDerWaalsContact C-N 3.29Å; Y96-R98 PolarHBondContact O-N 3.05Å; R98-M100 VanDerWaalsContact C-N 3.34Å; R98-F101 PolarHBondContact O-N 3.08Å; R98-C102 WeakPolarHBondContact O-CB 3.29Å; R98-C102 PolarHBondContact O-N 3.43Å; R98-C102 PolarHBondContact O-SG 2.96Å
99	A	86.6	Confident	83.7	Confident	40 Å²	40	67 Å²	67	33%	0.331	35%	0.346	S	S	.	.	H	α-helix	trans	-62.9	-42.3	176.1	0	0	0	0	0	111.4	N95 Y96 F101 N103	N95-A99 WeakPolarHBondContact O-CB 3.47Å; N95-A99 PolarHBondContact O-N 3.38Å; Y96-A99 PolarHBondContact O-N 2.94Å; A99-F101 PolarHBondContact O-N 2.55Å; A99-N103 WeakPolarHBondContact O-CB 3.34Å; A99-N103 PolarHBondContact O-N 3.34Å; A99-N103 VanDerWaalsContact O-N 3.16Å; A99-N103 PolarHBondContact O-ND2 3.4Å
100	M	86.2	Confident	83.3	Confident	14 Å²	14	69.4 Å²	69.4	7%	0.069	36%	0.356	C	S	.	.	H	α-helix	trans	-59.9	-41.3	178.3	-174.2	-178.3	-75	0	0	113.2	Y96 F97 R98 E107 I113 I115	Y96-M100 HydrophobicContact CD1-CE 4.36Å; Y96-M100 HydrophobicContact CE1-CE 3.38Å; Y96-M100 PolarHBondContact O-N 2.88Å; Y96-M100 WeakPolarHBondContact OH-CE 3.26Å; F97-M100 HydrophobicContact CD1-SD 4.28Å; F97-M100 PolarHBondContact O-N 3.44Å; R98-M100 VanDerWaalsContact C-N 3.34Å; M100-E107 HydrophobicContact CG-CB 3.76Å; M100-E107 HydrophobicContact CG-CG 4.34Å; M100-E107 HydrophobicContact SD-CB 4.24Å; M100-I113 HydrophobicContact SD-CD1 3.99Å; M100-I113 HydrophobicContact SD-CG2 4.14Å; M100-I115 HydrophobicContact CE-CD1 4.38Å
101	F	86.2	Confident	82.9	Confident	18 Å²	18	76 Å²	76	8%	0.079	39%	0.385	C	S	.	.	H	α-helix	trans	-94.9	-28.9	-174	-57.6	-34.9	0	0	0	114.2	V74 R87 L90 A91 F97 R98 A99 I113	V74-F101 HydrophobicContact CG2-CZ 4.42Å; R87-F101 HydrophobicContact CB-CD2 3.84Å; R87-F101 HydrophobicContact CB-CE2 4.04Å; R87-F101 HydrophobicContact CB-CG 4.28Å; R87-F101 HydrophobicContact CG-CD1 4.38Å; R87-F101 HydrophobicContact CG-CD2 4.12Å; R87-F101 HydrophobicContact CG-CE1 4.32Å; R87-F101 HydrophobicContact CG-CE2 4.07Å; R87-F101 HydrophobicContact CG-CG 4.29Å; R87-F101 HydrophobicContact CG-CZ 4.17Å; L90-F101 HydrophobicContact CB-CE2 3.98Å; L90-F101 HydrophobicContact CD1-CE2 4.22Å; L90-F101 HydrophobicContact CD1-CZ 4.41Å; A91-F101 HydrophobicContact CB-CD2 4.26Å; F97-F101 HydrophobicContact CB-CD2 4.27Å; F97-F101 HydrophobicContact CB-CE2 3.9Å; F97-F101 HydrophobicContact CD1-CE2 4.24Å; F97-F101 HydrophobicContact CD1-CZ 4.16Å; F97-F101 HydrophobicContact CG-CE2 4.41Å; F97-F101 WeakPolarHBondContact O-CD2 3.44Å; F97-F101 WeakPolarHBondContact O-CG 3.27Å; F97-F101 PolarHBondContact O-N 3.33Å; R98-F101 PolarHBondContact O-N 3.08Å; A99-F101 PolarHBondContact O-N 2.55Å; F101-I113 HydrophobicContact CE1-CD1 3.56Å; F101-I113 HydrophobicContact CZ-CD1 4.25Å
102	C	81	Confident	82.7	Confident	80 Å²	80	82.2 Å²	82.2	54%	0.541	41%	0.405	S	S	.	.	H	α-helix	trans	-90.8	-27.3	-177.6	-62.4	0	0	0	0	113.4	R98	R98-C102 WeakPolarHBondContact O-CB 3.29Å; R98-C102 PolarHBondContact O-N 3.43Å; R98-C102 PolarHBondContact O-SG 2.96Å
103	N	79.8	Confident	82.7	Confident	92 Å²	92	78.2 Å²	78.2	49%	0.492	37%	0.371	S	S	.	.	S	Bend	trans	-83.2	161.9	175.4	-63.2	-17.9	0	0	0	111	A99 L105 K108	A99-N103 WeakPolarHBondContact O-CB 3.34Å; A99-N103 PolarHBondContact O-N 3.34Å; A99-N103 VanDerWaalsContact O-N 3.16Å; A99-N103 PolarHBondContact O-ND2 3.4Å; N103-L105 HydrophobicContact CB-CD1 4.39Å; N103-L105 HydrophobicContact CB-CG 4.3Å; N103-L105 PolarHBondContact O-N 2.91Å; N103-K108 WeakPolarHBondContact O-CD 3.03Å
104	D	69.3	Low	82.6	Confident	134 Å²	134	82.7 Å²	82.7	72%	0.717	39%	0.389	S	S	*	.	S	Bend	trans	-76.8	54.7	177.9	-67.4	-36.8	0	0	0	112.3	K108	D104-K108 IonicContact OD1-NZ 2.79Å; D104-K108 PolarHBondContact OD1-NZ 2.91Å
105	L	74.3	Confident	82.3	Confident	80 Å²	80	83.1 Å²	83.1	42%	0.419	39%	0.391	S	S	.	.			trans	-88.5	155.1	171.2	-68.4	170.7	0	0	0	109.9	N103 E107 K108	N103-L105 HydrophobicContact CB-CD1 4.39Å; N103-L105 HydrophobicContact CB-CG 4.3Å; N103-L105 PolarHBondContact O-N 2.91Å; L105-E107 WeakPolarHBondContact CB-OE2 3.46Å; L105-E107 PolarHBondContact O-N 2.98Å; L105-K108 WeakPolarHBondContact O-CB 3.35Å; L105-K108 PolarHBondContact O-N 3.22Å; L105-K108 VanDerWaalsContact O-N 3.13Å
106	K	71.5	Confident	82.1	Confident	153 Å²	153	87.1 Å²	87.1	67%	0.665	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-63	-34	-174.7	-169.1	-175.9	177.5	-151.8	0	111.7	K108 Y109 E110	K106-K108 PolarHBondContact O-N 3.19Å; K106-K108 VanDerWaalsContact O-N 3.16Å; K106-Y109 PolarHBondContact O-N 2.68Å; K106-Y109 VanDerWaalsContact O-N 3.09Å; K106-E110 WeakPolarHBondContact CE-OE1 3.44Å; K106-E110 IonicContact NZ-OE1 3.17Å; K106-E110 PolarHBondContact NZ-OE1 2.93Å; K106-E110 VanDerWaalsContact NZ-OE1 3.17Å
107	E	74.7	Confident	81.7	Confident	68 Å²	68	87 Å²	87	32%	0.318	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-61.8	-18.6	178.4	-63.5	84.5	169.6	0	0	113.1	R87 M100 L105 Y109 I113	R87-E107 PolarHBondContact NH1-O 3.3Å; R87-E107 PolarHBondContact NH2-O 3.27Å; M100-E107 HydrophobicContact CG-CB 3.76Å; M100-E107 HydrophobicContact CG-CG 4.34Å; M100-E107 HydrophobicContact SD-CB 4.24Å; L105-E107 WeakPolarHBondContact CB-OE2 3.46Å; L105-E107 PolarHBondContact O-N 2.98Å; E107-Y109 PolarHBondContact O-N 3.2Å; E107-I113 HydrophobicContact CB-CD1 4.13Å; E107-I113 HydrophobicContact CB-CG1 4.49Å; E107-I113 HydrophobicContact CG-CG2 4.41Å
108	K	73.7	Confident	81.7	Confident	65 Å²	65	87.6 Å²	87.6	28%	0.283	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-60.8	-34.2	172	-177.5	172.2	173	177.9	0	112.4	R87 N103 D104 L105 K106	R87-K108 PolarHBondContact NH1-O 3.04Å; N103-K108 WeakPolarHBondContact O-CD 3.03Å; D104-K108 IonicContact OD1-NZ 2.79Å; D104-K108 PolarHBondContact OD1-NZ 2.91Å; L105-K108 WeakPolarHBondContact O-CB 3.35Å; L105-K108 PolarHBondContact O-N 3.22Å; L105-K108 VanDerWaalsContact O-N 3.13Å; K106-K108 PolarHBondContact O-N 3.19Å; K106-K108 VanDerWaalsContact O-N 3.16Å
109	Y	73.8	Confident	81.7	Confident	180 Å²	180	82.5 Å²	82.5	71%	0.706	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-9.7	-175.9	-56.6	-77.1	0	0	0	113.4	K106 E107	K106-Y109 PolarHBondContact O-N 2.68Å; K106-Y109 VanDerWaalsContact O-N 3.09Å; E107-Y109 PolarHBondContact O-N 3.2Å
110	E	82.7	Confident	81.9	Confident	70 Å²	70	81.1 Å²	81.1	33%	0.327	40%	0.404	S	S	.	.			trans	-90.2	125.1	-178.2	-69.3	-173.9	175.9	0	0	111.6	R87 K106 R112	R87-E110 PolarHBondContact NH2-O 2.74Å; K106-E110 WeakPolarHBondContact CE-OE1 3.44Å; K106-E110 IonicContact NZ-OE1 3.17Å; K106-E110 PolarHBondContact NZ-OE1 2.93Å; K106-E110 VanDerWaalsContact NZ-OE1 3.17Å; E110-R112 VanDerWaalsContact C-N 3.32Å
111	K	81.7	Confident	82.1	Confident	139 Å²	139	86.4 Å²	86.4	60%	0.604	43%	0.428	S	S	*	.	S	Bend	trans	-71.6	-26.2	177.9	-167.1	175	-178.1	-179.6	0	113	I75	I75-K111 PolarHBondContact N-O 2.78Å
112	R	86.8	Confident	82.4	Confident	147 Å²	147	85.7 Å²	85.7	56%	0.555	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.4	-179.9	-67	174.1	74.4	-162.8	5.8	108.9	I75 E82 E110	I75-R112 HydrophobicContact CB-CG 4.24Å; I75-R112 HydrophobicContact CD1-CG 4.44Å; I75-R112 WeakPolarHBondContact O-CA 3.13Å; E82-R112 IonicContact OE1-CZ 3.49Å; E82-R112 IonicContact OE1-NE 3.58Å; E82-R112 IonicContact OE1-NH2 2.69Å; E82-R112 PolarHBondContact OE1-NH2 2.91Å; E110-R112 VanDerWaalsContact C-N 3.32Å
113	I	88.3	Confident	83	Confident	5 Å²	5	81.9 Å²	81.9	3%	0.026	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.4	-176.8	-59.6	174.5	0	0	0	108.5	V74 I75 L76 C77 M100 F101 E107 I115	V74-I113 HydrophobicContact CG2-CD1 3.68Å; V74-I113 HydrophobicContact CG2-CG1 4.18Å; I75-I113 PolarHBondContact O-N 3.4Å; L76-I113 HydrophobicContact CD2-CB 4.2Å; C77-I113 PolarHBondContact N-O 3.34Å; M100-I113 HydrophobicContact SD-CD1 3.99Å; M100-I113 HydrophobicContact SD-CG2 4.14Å; F101-I113 HydrophobicContact CE1-CD1 3.56Å; F101-I113 HydrophobicContact CZ-CD1 4.25Å; E107-I113 HydrophobicContact CB-CD1 4.13Å; E107-I113 HydrophobicContact CB-CG1 4.49Å; E107-I113 HydrophobicContact CG-CG2 4.41Å; I113-I115 HydrophobicContact CG2-CD1 3.95Å
114	I	87.1	Confident	83.5	Confident	127 Å²	127	81.3 Å²	81.3	65%	0.651	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.2	179.2	-57.6	172.1	0	0	0	108.5	C77 K116	C77-I114 HydrophobicContact CB-CG1 4.39Å; I114-K116 HydrophobicContact CG2-CG 4.23Å
115	I	87.5	Confident	84.6	Confident	11 Å²	11	76.1 Å²	76.1	6%	0.056	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.1	174.2	-55.3	-63.4	0	0	0	108.1	L76 C77 V78 M100 I113 M123 F152	L76-I115 HydrophobicContact CD2-CD1 4.44Å; L76-I115 HydrophobicContact CD2-CG1 4.26Å; C77-I115 PolarHBondContact O-N 3.38Å; V78-I115 HydrophobicContact CG2-CB 4.08Å; M100-I115 HydrophobicContact CE-CD1 4.38Å; I113-I115 HydrophobicContact CG2-CD1 3.95Å; I115-M123 HydrophobicContact CB-CE 4.41Å; I115-M123 HydrophobicContact CG1-CE 4.45Å; I115-M123 HydrophobicContact CG2-CE 3.86Å; I115-F152 HydrophobicContact CG2-CE1 3.94Å; I115-F152 HydrophobicContact CG2-CZ 3.5Å; I115-F152 VanDerWaalsContact CG2-CZ 3.5Å
116	K	84.6	Confident	85.5	Confident	176 Å²	176	72.3 Å²	72.3	77%	0.765	35%	0.347	S	S	*	.			trans	-109.6	148.8	179.2	-61.9	-175.8	-178.6	179.6	0	110.1	I114	I114-K116 HydrophobicContact CG2-CG 4.23Å
117	G	81.4	Confident	86.5	Confident	79 Å²	79	65.1 Å²	65.1	81%	0.814	32%	0.316	S	S	*	.	S	Bend	trans	89.3	12.3	171.5	0	0	0	0	0	115.6
118	V	89.4	Confident	87.3	Confident	14 Å²	14	64 Å²	64	9%	0.085	31%	0.312	C	S	.	.	S	Bend	trans	-138.6	141.7	175	-179.5	0	0	0	0	108.5	V78 T122 A148 L151 F152	V78-V118 WeakPolarHBondContact CG1-O 3.35Å; V118-T122 HydrophobicContact CG1-CG2 3.81Å; V118-A148 HydrophobicContact CG1-CB 3.85Å; V118-A148 HydrophobicContact CG2-CB 3.89Å; V118-L151 HydrophobicContact CG2-CD2 4.18Å; V118-F152 HydrophobicContact CB-CE2 4.36Å; V118-F152 HydrophobicContact CB-CZ 4.45Å; V118-F152 HydrophobicContact CG1-CE2 4.42Å; V118-F152 HydrophobicContact CG2-CE2 3.67Å; V118-F152 HydrophobicContact CG2-CZ 3.71Å
119	D	90.2	Very high	88.2	Confident	41 Å²	41	62.7 Å²	62.7	22%	0.219	31%	0.306	C	S	.	.			trans	-79	153	176.1	61.6	-68.6	0	0	0	112.2	E121 T122 M123 R144	D119-E121 VanDerWaalsContact C-N 3.27Å; D119-E121 PolarHBondContact O-N 2.94Å; D119-T122 PolarHBondContact O-N 3.44Å; D119-T122 VanDerWaalsContact OD1-CB 3.22Å; D119-T122 WeakPolarHBondContact OD1-CB 3.49Å; D119-T122 PolarHBondContact OD1-OG1 3.06Å; D119-T122 PolarHBondContact OD2-N 3.35Å; D119-T122 VanDerWaalsContact OD2-N 3.09Å; D119-T122 PolarHBondContact OD2-OG1 3.38Å; D119-T122 VanDerWaalsContact OD2-OG1 3.07Å; D119-M123 PolarHBondContact O-N 2.91Å; D119-R144 IonicContact OD2-NH1 3.44Å; D119-R144 PolarHBondContact OD2-NH1 2.91Å
120	A	90.1	Very high	89.1	Confident	11 Å²	11	55 Å²	55	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-32.7	-177	0	0	0	0	0	113.9	Q81 F83 M123 H124	Q81-A120 HydrophobicContact CB-CB 4.08Å; Q81-A120 HydrophobicContact CG-CB 4.05Å; F83-A120 HydrophobicContact CE2-CB 4.45Å; F83-A120 HydrophobicContact CZ-CB 4.32Å; A120-M123 PolarHBondContact O-N 3.1Å; A120-H124 WeakPolarHBondContact O-CB 3.34Å; A120-H124 PolarHBondContact O-N 3.41Å
121	E	91.1	Very high	89.5	Confident	125 Å²	125	51.8 Å²	51.8	58%	0.584	26%	0.262	S	S	*	.	H	α-helix	trans	-68.4	-44.2	178	-174.1	-175.1	-166.3	0	0	111.7	D119 H124 T125 R144	D119-E121 VanDerWaalsContact C-N 3.27Å; D119-E121 PolarHBondContact O-N 2.94Å; E121-H124 WeakPolarHBondContact O-CB 3.33Å; E121-H124 PolarHBondContact O-N 2.91Å; E121-T125 PolarHBondContact O-N 3.19Å; E121-T125 PolarHBondContact O-OG1 3.28Å; E121-T125 VanDerWaalsContact O-OG1 3.05Å; E121-R144 IonicContact OE2-NH1 3.55Å
122	T	92.4	Very high	89.9	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-44.3	173.6	-61.8	0	0	0	0	111.4	V118 D119 H124 T125 L126 V145 A148	V118-T122 HydrophobicContact CG1-CG2 3.81Å; D119-T122 PolarHBondContact O-N 3.44Å; D119-T122 VanDerWaalsContact OD1-CB 3.22Å; D119-T122 WeakPolarHBondContact OD1-CB 3.49Å; D119-T122 PolarHBondContact OD1-OG1 3.06Å; D119-T122 PolarHBondContact OD2-N 3.35Å; D119-T122 VanDerWaalsContact OD2-N 3.09Å; D119-T122 PolarHBondContact OD2-OG1 3.38Å; D119-T122 VanDerWaalsContact OD2-OG1 3.07Å; T122-H124 VanDerWaalsContact C-N 3.33Å; T122-H124 PolarHBondContact O-N 3.27Å; T122-T125 WeakPolarHBondContact O-CB 3.45Å; T122-T125 PolarHBondContact O-N 3.05Å; T122-L126 WeakPolarHBondContact O-CG 2.91Å; T122-L126 PolarHBondContact O-N 2.65Å; T122-V145 HydrophobicContact CG2-CG2 4.2Å; T122-A148 HydrophobicContact CG2-CB 3.48Å; T122-A148 VanDerWaalsContact CG2-CB 3.48Å
123	M	92.1	Very high	90	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-41.9	176.7	-175.4	61.4	68.3	0	0	111.7	L76 V78 F83 I115 D119 A120 T125 L126 L127 F152	L76-M123 HydrophobicContact CD1-SD 4.46Å; V78-M123 HydrophobicContact CG2-CB 4.12Å; V78-M123 HydrophobicContact CG2-CE 4.05Å; V78-M123 HydrophobicContact CG2-CG 3.81Å; F83-M123 HydrophobicContact CD2-CG 4.25Å; F83-M123 HydrophobicContact CE2-CB 4.37Å; F83-M123 HydrophobicContact CE2-CG 4.21Å; I115-M123 HydrophobicContact CB-CE 4.41Å; I115-M123 HydrophobicContact CG1-CE 4.45Å; I115-M123 HydrophobicContact CG2-CE 3.86Å; D119-M123 PolarHBondContact O-N 2.91Å; A120-M123 PolarHBondContact O-N 3.1Å; M123-T125 VanDerWaalsContact C-N 3.3Å; M123-T125 PolarHBondContact O-N 2.99Å; M123-L126 PolarHBondContact O-N 3.47Å; M123-L127 HydrophobicContact CG-CD1 4.08Å; M123-L127 HydrophobicContact CG-CG 4.33Å; M123-L127 WeakPolarHBondContact O-CG 3.43Å; M123-L127 PolarHBondContact O-N 3.4Å; M123-L127 HydrophobicContact SD-CG 4.32Å; M123-F152 HydrophobicContact CE-CD2 4.41Å; M123-F152 HydrophobicContact CE-CE2 3.5Å; M123-F152 HydrophobicContact CE-CZ 3.69Å
124	H	91.3	Very high	90.1	Very high	80 Å²	80	51.2 Å²	51.2	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-57.4	-44.6	174.8	-170.7	-69.5	0	0	0	111.5	F83 A120 E121 T122 L126 L127 D128	F83-H124 HydrophobicContact CE1-CB 4.17Å; F83-H124 HydrophobicContact CZ-CB 4.43Å; A120-H124 WeakPolarHBondContact O-CB 3.34Å; A120-H124 PolarHBondContact O-N 3.41Å; E121-H124 WeakPolarHBondContact O-CB 3.33Å; E121-H124 PolarHBondContact O-N 2.91Å; T122-H124 VanDerWaalsContact C-N 3.33Å; T122-H124 PolarHBondContact O-N 3.27Å; H124-L126 VanDerWaalsContact C-N 3.34Å; H124-L126 PolarHBondContact O-N 3.37Å; H124-L127 PolarHBondContact O-N 3.26Å; H124-D128 VanDerWaalsContact CE1-CG 3.49Å; H124-D128 IonicContact CE1-OD1 3.45Å; H124-D128 PolarHBondContact CE1-OD1 3.33Å; H124-D128 IonicContact CE1-OD2 2.91Å; H124-D128 PolarHBondContact CE1-OD2 3.17Å; H124-D128 IonicContact ND1-OD1 3.68Å; H124-D128 IonicContact ND1-OD2 2.9Å; H124-D128 PolarHBondContact ND1-OD2 3.22Å; H124-D128 WeakPolarHBondContact O-CB 3.37Å; H124-D128 PolarHBondContact O-N 3.4Å
125	T	92.6	Very high	90.2	Very high	24 Å²	24	47.3 Å²	47.3	15%	0.147	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-39.9	178.2	-55.8	0	0	0	0	112.1	E121 T122 M123 Y129 A135	E121-T125 PolarHBondContact O-N 3.19Å; E121-T125 PolarHBondContact O-OG1 3.28Å; E121-T125 VanDerWaalsContact O-OG1 3.05Å; T122-T125 WeakPolarHBondContact O-CB 3.45Å; T122-T125 PolarHBondContact O-N 3.05Å; M123-T125 VanDerWaalsContact C-N 3.3Å; M123-T125 PolarHBondContact O-N 2.99Å; T125-Y129 WeakPolarHBondContact O-CB 3.46Å; T125-Y129 PolarHBondContact O-N 3.49Å; T125-A135 HydrophobicContact CG2-CB 4.29Å
126	L	92.8	Very high	90.4	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-65.8	-43.1	175.3	-66	-178.2	0	0	0	111.8	T122 M123 H124 Y129 T130 A148 A149 F152 F154 M157	T122-L126 WeakPolarHBondContact O-CG 2.91Å; T122-L126 PolarHBondContact O-N 2.65Å; M123-L126 PolarHBondContact O-N 3.47Å; H124-L126 VanDerWaalsContact C-N 3.34Å; H124-L126 PolarHBondContact O-N 3.37Å; L126-Y129 WeakPolarHBondContact O-CB 3.38Å; L126-Y129 PolarHBondContact O-N 3.34Å; L126-T130 WeakPolarHBondContact O-CG2 3.47Å; L126-T130 PolarHBondContact O-N 3Å; L126-A148 HydrophobicContact CD1-CB 3.88Å; L126-A149 HydrophobicContact CD2-CB 4.35Å; L126-F152 HydrophobicContact CD1-CD2 3.54Å; L126-F152 HydrophobicContact CD1-CE2 3.97Å; L126-F154 HydrophobicContact CB-CE2 4.43Å; L126-F154 HydrophobicContact CD1-CD2 4.36Å; L126-F154 HydrophobicContact CD1-CE2 4.26Å; L126-F154 HydrophobicContact CD2-CD2 4.14Å; L126-M157 HydrophobicContact CD2-CE 4.15Å; L126-M157 HydrophobicContact CD2-SD 3.19Å; L126-M157 WeakPolarHBondContact CD2-SD 3.3Å
127	L	92.1	Very high	90.8	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-47.3	178.4	-69.6	175.9	0	0	0	111	L76 F83 L90 M123 H124 Y129 T130 Y131	L76-L127 HydrophobicContact CD1-CD2 4.38Å; F83-L127 HydrophobicContact CB-CD1 3.61Å; F83-L127 HydrophobicContact CD1-CD1 3.73Å; F83-L127 HydrophobicContact CD2-CD1 4.41Å; F83-L127 HydrophobicContact CG-CD1 3.67Å; L90-L127 HydrophobicContact CD2-CD2 3.7Å; M123-L127 HydrophobicContact CG-CD1 4.08Å; M123-L127 HydrophobicContact CG-CG 4.33Å; M123-L127 WeakPolarHBondContact O-CG 3.43Å; M123-L127 PolarHBondContact O-N 3.4Å; M123-L127 HydrophobicContact SD-CG 4.32Å; H124-L127 PolarHBondContact O-N 3.26Å; L127-Y129 PolarHBondContact O-N 3.38Å; L127-T130 WeakPolarHBondContact CA-OG1 3.12Å; L127-T130 PolarHBondContact O-N 2.97Å; L127-T130 PolarHBondContact O-OG1 3.46Å; L127-Y131 WeakPolarHBondContact O-CD2 2.97Å; L127-Y131 PolarHBondContact O-N 3.46Å
128	D	91.3	Very high	91.3	Very high	43 Å²	43	44.9 Å²	44.9	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-57	-40.2	174.4	-73.3	-8.1	0	0	0	111.1	R66 H124 Y131 T132	R66-D128 IonicContact CZ-OD1 3.85Å; R66-D128 IonicContact NH2-OD1 2.91Å; R66-D128 PolarHBondContact NH2-OD1 3.05Å; H124-D128 VanDerWaalsContact CE1-CG 3.49Å; H124-D128 IonicContact CE1-OD1 3.45Å; H124-D128 PolarHBondContact CE1-OD1 3.33Å; H124-D128 IonicContact CE1-OD2 2.91Å; H124-D128 PolarHBondContact CE1-OD2 3.17Å; H124-D128 IonicContact ND1-OD1 3.68Å; H124-D128 IonicContact ND1-OD2 2.9Å; H124-D128 PolarHBondContact ND1-OD2 3.22Å; H124-D128 WeakPolarHBondContact O-CB 3.37Å; H124-D128 PolarHBondContact O-N 3.4Å; D128-Y131 PolarHBondContact O-N 3.38Å; D128-T132 WeakPolarHBondContact O-CA 3.35Å; D128-T132 VanDerWaalsContact O-CB 3.27Å; D128-T132 WeakPolarHBondContact O-CB 3.34Å; D128-T132 WeakPolarHBondContact O-CG2 3.4Å; D128-T132 PolarHBondContact O-N 2.79Å; D128-T132 PolarHBondContact O-OG1 3.02Å
129	Y	93.6	Very high	91.1	Very high	39 Å²	39	51.8 Å²	51.8	15%	0.153	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-45.7	172.5	172.3	-107	0	0	0	112.7	T125 L126 L127 Y131 S133 K134 A135 F154 R156 M157	T125-Y129 WeakPolarHBondContact O-CB 3.46Å; T125-Y129 PolarHBondContact O-N 3.49Å; L126-Y129 WeakPolarHBondContact O-CB 3.38Å; L126-Y129 PolarHBondContact O-N 3.34Å; L127-Y129 PolarHBondContact O-N 3.38Å; Y129-Y131 VanDerWaalsContact C-N 3.27Å; Y129-Y131 PolarHBondContact O-N 2.91Å; Y129-S133 VanDerWaalsContact O-CA 3.28Å; Y129-S133 WeakPolarHBondContact O-CA 3.48Å; Y129-S133 PolarHBondContact O-N 3.18Å; Y129-K134 WeakPolarHBondContact CA-O 3.29Å; Y129-A135 HydrophobicContact CD2-CB 4.24Å; Y129-F154 HydrophobicContact CD1-CD1 4.46Å; Y129-F154 HydrophobicContact CE1-CD1 4.3Å; Y129-R156 WeakPolarHBondContact OH-CB 3.16Å; Y129-R156 PolarHBondContact OH-NE 2.88Å; Y129-M157 VanDerWaalsContact CB-CE 3.44Å; Y129-M157 HydrophobicContact CD1-CE 3.83Å; Y129-M157 HydrophobicContact CD2-CE 3.85Å; Y129-M157 HydrophobicContact CE1-CB 4.41Å; Y129-M157 HydrophobicContact CG-CE 3.41Å; Y129-M157 VanDerWaalsContact CG-CE 3.41Å
130	T	92.1	Very high	91	Very high	17 Å²	17	56.7 Å²	56.7	10%	0.104	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-34.1	-179.4	59.1	0	0	0	0	113.2	A93 L126 L127 F154	A93-T130 HydrophobicContact CB-CG2 3.72Å; L126-T130 WeakPolarHBondContact O-CG2 3.47Å; L126-T130 PolarHBondContact O-N 3Å; L127-T130 WeakPolarHBondContact CA-OG1 3.12Å; L127-T130 PolarHBondContact O-N 2.97Å; L127-T130 PolarHBondContact O-OG1 3.46Å; T130-F154 HydrophobicContact CG2-CD1 4.41Å; T130-F154 HydrophobicContact CG2-CE1 3.36Å; T130-F154 HydrophobicContact CG2-CZ 3.56Å
131	Y	91	Very high	91.1	Very high	3 Å²	3	57 Å²	57	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-97	-25.4	-177	-76.1	-96.5	0	0	0	113.9	Q59 L62 E63 R66 H86 V89 L127 D128 Y129	Q59-Y131 WeakPolarHBondContact CG-O 3.22Å; Q59-Y131 VanDerWaalsContact NE2-C 3.3Å; Q59-Y131 PolarHBondContact NE2-O 3.07Å; L62-Y131 HydrophobicContact CB-CD1 4.26Å; L62-Y131 HydrophobicContact CB-CE1 4.42Å; E63-Y131 WeakPolarHBondContact OE2-CB 3.39Å; R66-Y131 HydrophobicContact CB-CD1 4.22Å; R66-Y131 HydrophobicContact CB-CE1 3.91Å; R66-Y131 VanDerWaalsContact CD-CE2 3.48Å; R66-Y131 HydrophobicContact CG-CE1 4.29Å; H86-Y131 PolarHBondContact N-OH 2.98Å; H86-Y131 AromaticContact ND1-CE1 3.51Å; H86-Y131 AromaticContact ND1-CZ 3.73Å; H86-Y131 PolarHBondContact ND1-OH 3.09Å; V89-Y131 HydrophobicContact CB-CE1 4.43Å; V89-Y131 HydrophobicContact CG1-CD1 4.4Å; V89-Y131 HydrophobicContact CG1-CD2 4.48Å; V89-Y131 HydrophobicContact CG1-CE1 4.07Å; V89-Y131 HydrophobicContact CG1-CE2 4.11Å; V89-Y131 HydrophobicContact CG2-CE1 4.31Å; L127-Y131 WeakPolarHBondContact O-CD2 2.97Å; L127-Y131 PolarHBondContact O-N 3.46Å; D128-Y131 PolarHBondContact O-N 3.38Å; Y129-Y131 VanDerWaalsContact C-N 3.27Å; Y129-Y131 PolarHBondContact O-N 2.91Å
132	T	89.8	Confident	91.1	Very high	45 Å²	45	51.4 Å²	51.4	28%	0.276	27%	0.266	S	S	.	.	H	α-helix	trans	-113.9	-8.6	-176	73.8	0	0	0	0	114.5	E63 D128 K134	E63-T132 HydrophobicContact CG-CG2 4.19Å; D128-T132 WeakPolarHBondContact O-CA 3.35Å; D128-T132 VanDerWaalsContact O-CB 3.27Å; D128-T132 WeakPolarHBondContact O-CB 3.34Å; D128-T132 WeakPolarHBondContact O-CG2 3.4Å; D128-T132 PolarHBondContact O-N 2.79Å; D128-T132 PolarHBondContact O-OG1 3.02Å; T132-K134 PolarHBondContact O-N 2.79Å; T132-K134 VanDerWaalsContact O-N 3.16Å; T132-K134 PolarHBondContact OG1-N 3.44Å; T132-K134 PolarHBondContact OG1-O 2.85Å
133	S	89.4	Confident	91.1	Very high	78 Å²	78	56.7 Å²	56.7	55%	0.545	29%	0.291	S	S	.	.	S	Bend	trans	60.2	14.1	-171.4	-61.6	0	0	0	0	113.7	Q59 Y129	Q59-S133 PolarHBondContact NE2-OG 3.05Å; Q59-S133 PolarHBondContact OE1-OG 3.05Å; Y129-S133 VanDerWaalsContact O-CA 3.28Å; Y129-S133 WeakPolarHBondContact O-CA 3.48Å; Y129-S133 PolarHBondContact O-N 3.18Å
134	K	89.4	Confident	91	Very high	157 Å²	157	61.3 Å²	61.3	68%	0.683	31%	0.308	S	S	*	.			trans	-125	140.4	-178.3	-64.6	175	-176.1	175.7	0	109.8	Y129 T132	Y129-K134 WeakPolarHBondContact CA-O 3.29Å; T132-K134 PolarHBondContact O-N 2.79Å; T132-K134 VanDerWaalsContact O-N 3.16Å; T132-K134 PolarHBondContact OG1-N 3.44Å; T132-K134 PolarHBondContact OG1-O 2.85Å
135	A	90.9	Very high	91.1	Very high	45 Å²	45	57.5 Å²	57.5	37%	0.372	29%	0.291	S	S	.	.			trans	-143.4	144	175.2	0	0	0	0	0	109.7	T125 Y129 M157	T125-A135 HydrophobicContact CG2-CB 4.29Å; Y129-A135 HydrophobicContact CD2-CB 4.24Å; A135-M157 HydrophobicContact CB-CE 3.41Å; A135-M157 VanDerWaalsContact CB-CE 3.41Å
136	L	90.8	Very high	91.1	Very high	134 Å²	134	56.4 Å²	56.4	70%	0.702	28%	0.284	S	S	*	.			trans	-98	108.6	175.2	-176.2	66.6	0	0	0	109.6	T138 N141	L136-T138 HydrophobicContact CD2-CG2 4.35Å; L136-T138 HydrophobicContact CG-CG2 4.03Å; L136-N141 PolarHBondContact O-ND2 3.17Å
137	I	92.4	Very high	91	Very high	37 Å²	37	59.7 Å²	59.7	19%	0.19	30%	0.299	C	S	.	.			trans	-98.8	127.6	176	-57.6	168.2	0	0	0	108.6	V142 A160 F164	I137-V142 HydrophobicContact CG2-CB 3.86Å; I137-V142 HydrophobicContact CG2-CG2 3.81Å; I137-A160 HydrophobicContact CD1-CB 3.94Å; I137-F164 HydrophobicContact CG2-CB 4.21Å; I137-F164 HydrophobicContact CG2-CD1 3.97Å; I137-F164 HydrophobicContact CG2-CD2 4.29Å; I137-F164 HydrophobicContact CG2-CE1 4.4Å; I137-F164 HydrophobicContact CG2-CG 3.9Å
138	T	91.9	Very high	91	Very high	43 Å²	43	59.8 Å²	59.8	26%	0.264	30%	0.3	S	S	.	.			trans	-131.2	164.7	-178.3	70.7	0	0	0	0	110.2	L136 Q140 N141 V142	L136-T138 HydrophobicContact CD2-CG2 4.35Å; L136-T138 HydrophobicContact CG-CG2 4.03Å; T138-Q140 PolarHBondContact O-N 2.9Å; T138-N141 PolarHBondContact N-OD1 3.34Å; T138-N141 PolarHBondContact O-N 3.18Å; T138-N141 PolarHBondContact O-OD1 3.26Å; T138-N141 PolarHBondContact OG1-N 2.97Å; T138-N141 PolarHBondContact OG1-ND2 2.91Å; T138-N141 PolarHBondContact OG1-OD1 3.45Å; T138-V142 VanDerWaalsContact O-CB 3.31Å; T138-V142 WeakPolarHBondContact O-CB 3.42Å; T138-V142 PolarHBondContact O-N 3.06Å
139	K	86.7	Confident	91.1	Very high	159 Å²	159	57.7 Å²	57.7	69%	0.691	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.3	178.4	-65.6	-174.2	179	-176.3	0	113	F164	K139-F164 HydrophobicContact CG-CE1 4.23Å; K139-F164 HydrophobicContact CG-CZ 4.04Å
140	Q	88.3	Confident	91	Very high	144 Å²	144	57.5 Å²	57.5	67%	0.673	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-26.1	-177	-66.2	76	16.5	0	0	113.3	T138 R144	T138-Q140 PolarHBondContact O-N 2.9Å; Q140-R144 PolarHBondContact O-NH2 2.63Å
141	N	91.3	Very high	90.9	Very high	18 Å²	18	60.9 Å²	60.9	10%	0.096	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-21	-177.1	76.1	6.2	0	0	0	113.6	L136 T138 Q143 R144 V145	L136-N141 PolarHBondContact O-ND2 3.17Å; T138-N141 PolarHBondContact N-OD1 3.34Å; T138-N141 PolarHBondContact O-N 3.18Å; T138-N141 PolarHBondContact O-OD1 3.26Å; T138-N141 PolarHBondContact OG1-N 2.97Å; T138-N141 PolarHBondContact OG1-ND2 2.91Å; T138-N141 PolarHBondContact OG1-OD1 3.45Å; N141-Q143 VanDerWaalsContact C-N 3.28Å; N141-Q143 PolarHBondContact O-N 2.94Å; N141-Q143 VanDerWaalsContact O-N 3.14Å; N141-R144 PolarHBondContact O-N 3.46Å; N141-R144 VanDerWaalsContact O-N 3.11Å; N141-V145 HydrophobicContact CB-CG2 4.09Å; N141-V145 WeakPolarHBondContact O-CB 3.1Å; N141-V145 VanDerWaalsContact O-CG2 3.3Å; N141-V145 WeakPolarHBondContact O-CG2 3.19Å; N141-V145 PolarHBondContact O-N 3.23Å
142	V	91.7	Very high	90.9	Very high	8 Å²	8	60.9 Å²	60.9	5%	0.048	31%	0.307	C	S	.	.	H	α-helix	trans	-55.9	-39.3	-169.5	63	0	0	0	0	113.6	I137 T138 L146 C161 F164 L165	I137-V142 HydrophobicContact CG2-CB 3.86Å; I137-V142 HydrophobicContact CG2-CG2 3.81Å; T138-V142 VanDerWaalsContact O-CB 3.31Å; T138-V142 WeakPolarHBondContact O-CB 3.42Å; T138-V142 PolarHBondContact O-N 3.06Å; V142-L146 WeakPolarHBondContact O-CB 3.47Å; V142-L146 PolarHBondContact O-N 3.16Å; V142-C161 HydrophobicContact CG2-CB 4.06Å; V142-F164 HydrophobicContact CB-CD1 4.18Å; V142-F164 HydrophobicContact CB-CE1 4.32Å; V142-F164 HydrophobicContact CG1-CD1 4.39Å; V142-F164 HydrophobicContact CG1-CE1 4.28Å; V142-F164 HydrophobicContact CG2-CD1 3.93Å; V142-L165 HydrophobicContact CG1-CD2 3.82Å; V142-L165 HydrophobicContact CG2-CD1 4.25Å; V142-L165 HydrophobicContact CG2-CD2 3.97Å; V142-L165 HydrophobicContact CG2-CG 3.87Å
143	Q	90.8	Very high	91.1	Very high	112 Å²	112	62.4 Å²	62.4	52%	0.523	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-52.2	178.6	178.7	177.7	-10.8	0	0	111.4	N141 V145 L146 E147 L180	N141-Q143 VanDerWaalsContact C-N 3.28Å; N141-Q143 PolarHBondContact O-N 2.94Å; N141-Q143 VanDerWaalsContact O-N 3.14Å; Q143-V145 PolarHBondContact O-N 3Å; Q143-L146 PolarHBondContact O-N 2.78Å; Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.46Å; Q143-E147 PolarHBondContact NE2-OE1 3.45Å; Q143-E147 WeakPolarHBondContact O-CB 3.47Å; Q143-E147 WeakPolarHBondContact O-CG 3.46Å; Q143-E147 PolarHBondContact O-N 3.16Å; Q143-L180 HydrophobicContact CG-CD1 3.89Å; Q143-L180 HydrophobicContact CG-CD2 4.43Å
144	R	91.5	Very high	91.2	Very high	98 Å²	98	59 Å²	59	37%	0.37	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-41.7	-179.9	-70.5	-176.7	-99	141	-3.5	111.6	D119 E121 Q140 N141 E147 A148	D119-R144 IonicContact OD2-NH1 3.44Å; D119-R144 PolarHBondContact OD2-NH1 2.91Å; E121-R144 IonicContact OE2-NH1 3.55Å; Q140-R144 PolarHBondContact O-NH2 2.63Å; N141-R144 PolarHBondContact O-N 3.46Å; N141-R144 VanDerWaalsContact O-N 3.11Å; R144-E147 PolarHBondContact O-N 2.94Å; R144-A148 WeakPolarHBondContact O-CB 3.41Å; R144-A148 PolarHBondContact O-N 2.99Å
145	V	92.9	Very high	91.3	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-41.7	177.3	176.4	0	0	0	0	111	T122 N141 Q143 A148 A149 M157	T122-V145 HydrophobicContact CG2-CG2 4.2Å; N141-V145 HydrophobicContact CB-CG2 4.09Å; N141-V145 WeakPolarHBondContact O-CB 3.1Å; N141-V145 VanDerWaalsContact O-CG2 3.3Å; N141-V145 WeakPolarHBondContact O-CG2 3.19Å; N141-V145 PolarHBondContact O-N 3.23Å; Q143-V145 PolarHBondContact O-N 3Å; V145-A148 PolarHBondContact O-N 3.32Å; V145-A149 WeakPolarHBondContact O-CB 3.36Å; V145-A149 PolarHBondContact O-N 3.29Å; V145-M157 HydrophobicContact CG1-CG 4.24Å; V145-M157 HydrophobicContact CG1-SD 3.65Å
146	L	92.1	Very high	91.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.6	-46.5	176.8	-178.6	69.8	0	0	0	111.8	V142 Q143 A148 A149 N150 V158 C161 L165 L180 L186	V142-L146 WeakPolarHBondContact O-CB 3.47Å; V142-L146 PolarHBondContact O-N 3.16Å; Q143-L146 PolarHBondContact O-N 2.78Å; L146-A148 VanDerWaalsContact C-N 3.35Å; L146-A148 PolarHBondContact O-N 3.23Å; L146-A149 PolarHBondContact O-N 3.2Å; L146-N150 WeakPolarHBondContact O-CB 3.45Å; L146-N150 PolarHBondContact O-N 2.8Å; L146-V158 HydrophobicContact CD1-CB 4.29Å; L146-V158 HydrophobicContact CD1-CG1 3.89Å; L146-V158 HydrophobicContact CD1-CG2 4.45Å; L146-C161 HydrophobicContact CB-CB 4.08Å; L146-C161 HydrophobicContact CD1-CB 3.67Å; L146-C161 HydrophobicContact CG-CB 4.42Å; L146-L165 HydrophobicContact CD2-CD1 3.9Å; L146-L180 HydrophobicContact CD2-CD1 4.49Å; L146-L180 HydrophobicContact CD2-CD2 3.48Å; L146-L180 VanDerWaalsContact CD2-CD2 3.48Å; L146-L180 HydrophobicContact CD2-CG 3.81Å; L146-L186 HydrophobicContact CD1-CD1 3.94Å; L146-L186 HydrophobicContact CD2-CD1 3.78Å; L146-L186 HydrophobicContact CG-CD1 4.22Å
147	E	90.9	Very high	91.3	Very high	71 Å²	71	56.1 Å²	56.1	33%	0.332	26%	0.259	S	S	.	.	H	α-helix	trans	-54.4	-50.8	175.8	-80.7	168.7	-157.6	0	0	110.7	Q143 R144 L151 L180 H184	Q143-E147 VanDerWaalsContact CG-OE1 3.25Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.46Å; Q143-E147 PolarHBondContact NE2-OE1 3.45Å; Q143-E147 WeakPolarHBondContact O-CB 3.47Å; Q143-E147 WeakPolarHBondContact O-CG 3.46Å; Q143-E147 PolarHBondContact O-N 3.16Å; R144-E147 PolarHBondContact O-N 2.94Å; E147-L151 WeakPolarHBondContact O-CB 3.43Å; E147-L151 PolarHBondContact O-N 2.72Å; E147-L180 HydrophobicContact CG-CD1 4.42Å; E147-H184 WeakPolarHBondContact CG-NE2 3.16Å
148	A	92.1	Very high	91.3	Very high	3 Å²	3	54.7 Å²	54.7	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-70.3	-40.5	-179.9	0	0	0	0	0	112.9	V118 T122 L126 R144 V145 L146 N150 L151 F152	V118-A148 HydrophobicContact CG1-CB 3.85Å; V118-A148 HydrophobicContact CG2-CB 3.89Å; T122-A148 HydrophobicContact CG2-CB 3.48Å; T122-A148 VanDerWaalsContact CG2-CB 3.48Å; L126-A148 HydrophobicContact CD1-CB 3.88Å; R144-A148 WeakPolarHBondContact O-CB 3.41Å; R144-A148 PolarHBondContact O-N 2.99Å; V145-A148 PolarHBondContact O-N 3.32Å; L146-A148 VanDerWaalsContact C-N 3.35Å; L146-A148 PolarHBondContact O-N 3.23Å; A148-N150 VanDerWaalsContact C-N 3.31Å; A148-N150 PolarHBondContact O-N 3.33Å; A148-L151 PolarHBondContact O-N 2.92Å; A148-F152 HydrophobicContact CB-CD2 4.34Å; A148-F152 HydrophobicContact CB-CE2 4.23Å; A148-F152 WeakPolarHBondContact O-CB 3.27Å; A148-F152 WeakPolarHBondContact O-CD2 3.46Å; A148-F152 PolarHBondContact O-N 3.39Å
149	A	92.9	Very high	91.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-38.9	177.5	0	0	0	0	0	111.4	L126 V145 L146 Q153 F154 M157 V158	L126-A149 HydrophobicContact CD2-CB 4.35Å; V145-A149 WeakPolarHBondContact O-CB 3.36Å; V145-A149 PolarHBondContact O-N 3.29Å; L146-A149 PolarHBondContact O-N 3.2Å; A149-Q153 CarbonylContact O-C 3.57Å; A149-Q153 WeakPolarHBondContact O-CA 3.36Å; A149-Q153 PolarHBondContact O-N 2.9Å; A149-F154 HydrophobicContact CB-CB 4.19Å; A149-F154 PolarHBondContact O-N 3.48Å; A149-M157 HydrophobicContact CB-CB 4.14Å; A149-M157 HydrophobicContact CB-CG 4Å; A149-M157 HydrophobicContact CB-SD 4.07Å; A149-V158 HydrophobicContact CB-CG2 3.86Å
150	N	91.4	Very high	91.6	Very high	34 Å²	34	51.8 Å²	51.8	18%	0.182	25%	0.249	C	C	.	.	H	α-helix	trans	-69.6	-45.5	174.9	-169.6	34.7	0	0	0	111.4	L146 A148 F152 Q153 V158 H184	L146-N150 WeakPolarHBondContact O-CB 3.45Å; L146-N150 PolarHBondContact O-N 2.8Å; A148-N150 VanDerWaalsContact C-N 3.31Å; A148-N150 PolarHBondContact O-N 3.33Å; N150-F152 VanDerWaalsContact C-N 3.34Å; N150-F152 PolarHBondContact O-N 3.11Å; N150-Q153 PolarHBondContact O-N 3.48Å; N150-Q153 VanDerWaalsContact O-N 3.08Å; N150-Q153 PolarHBondContact O-NE2 2.97Å; N150-V158 HydrophobicContact CB-CG2 4.13Å; N150-H184 VanDerWaalsContact ND2-CB 3.35Å; N150-H184 WeakPolarHBondContact ND2-CB 3.28Å; N150-H184 PolarHBondContact ND2-ND1 3.35Å; N150-H184 PolarHBondContact ND2-O 3.37Å
151	L	91.1	Very high	91.8	Very high	89 Å²	89	44.9 Å²	44.9	47%	0.466	22%	0.217	S	C	.	.	H	α-helix	trans	-56.5	-46.8	177.1	-179.7	65.4	0	0	0	111.9	V118 E147 A148 Q153	V118-L151 HydrophobicContact CG2-CD2 4.18Å; E147-L151 WeakPolarHBondContact O-CB 3.43Å; E147-L151 PolarHBondContact O-N 2.72Å; A148-L151 PolarHBondContact O-N 2.92Å; L151-Q153 VanDerWaalsContact C-N 3.32Å
152	F	91.8	Very high	91.8	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.009	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	9.2	178.8	-55.4	-51	0	0	0	113.7	S94 Y96 F97 I115 V118 M123 L126 A148 N150 F154	S94-F152 WeakPolarHBondContact CB-O 3.46Å; S94-F152 PolarHBondContact OG-O 3.24Å; Y96-F152 WeakPolarHBondContact CB-O 3.5Å; Y96-F152 AromaticContact CD1-CD1 3.59Å; Y96-F152 HydrophobicContact CD1-CD1 3.59Å; Y96-F152 HydrophobicContact CD1-CE1 4.36Å; Y96-F152 HydrophobicContact CD1-CG 4.48Å; Y96-F152 AromaticContact CE1-CD1 3.6Å; Y96-F152 HydrophobicContact CE1-CD1 3.6Å; Y96-F152 AromaticContact CE1-CE1 3.92Å; Y96-F152 HydrophobicContact CE1-CE1 3.92Å; Y96-F152 HydrophobicContact CG-CD1 4.15Å; F97-F152 HydrophobicContact CE2-CB 4.33Å; F97-F152 HydrophobicContact CE2-CG 4.41Å; F97-F152 HydrophobicContact CZ-CD1 4.24Å; F97-F152 HydrophobicContact CZ-CG 4.4Å; I115-F152 HydrophobicContact CG2-CE1 3.94Å; I115-F152 HydrophobicContact CG2-CZ 3.5Å; I115-F152 VanDerWaalsContact CG2-CZ 3.5Å; V118-F152 HydrophobicContact CB-CE2 4.36Å; V118-F152 HydrophobicContact CB-CZ 4.45Å; V118-F152 HydrophobicContact CG1-CE2 4.42Å; V118-F152 HydrophobicContact CG2-CE2 3.67Å; V118-F152 HydrophobicContact CG2-CZ 3.71Å; M123-F152 HydrophobicContact CE-CD2 4.41Å; M123-F152 HydrophobicContact CE-CE2 3.5Å; M123-F152 HydrophobicContact CE-CZ 3.69Å; L126-F152 HydrophobicContact CD1-CD2 3.54Å; L126-F152 HydrophobicContact CD1-CE2 3.97Å; A148-F152 HydrophobicContact CB-CD2 4.34Å; A148-F152 HydrophobicContact CB-CE2 4.23Å; A148-F152 WeakPolarHBondContact O-CB 3.27Å; A148-F152 WeakPolarHBondContact O-CD2 3.46Å; A148-F152 PolarHBondContact O-N 3.39Å; N150-F152 VanDerWaalsContact C-N 3.34Å; N150-F152 PolarHBondContact O-N 3.11Å; F152-F154 HydrophobicContact CB-CD2 3.74Å; F152-F154 HydrophobicContact CB-CE2 3.67Å; F152-F154 PolarHBondContact O-N 3.44Å
153	Q	92.2	Very high	91.9	Very high	77 Å²	77	47.4 Å²	47.4	36%	0.36	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	37.2	173.5	-58.2	-72.8	-63.9	0	0	114.7	N95 A149 N150 L151 L155	N95-Q153 HydrophobicContact CB-CB 4.27Å; A149-Q153 CarbonylContact O-C 3.57Å; A149-Q153 WeakPolarHBondContact O-CA 3.36Å; A149-Q153 PolarHBondContact O-N 2.9Å; N150-Q153 PolarHBondContact O-N 3.48Å; N150-Q153 VanDerWaalsContact O-N 3.08Å; N150-Q153 PolarHBondContact O-NE2 2.97Å; L151-Q153 VanDerWaalsContact C-N 3.32Å; Q153-L155 VanDerWaalsContact C-N 3.33Å; Q153-L155 PolarHBondContact O-N 3.25Å
154	F	92.5	Very high	92	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.031	22%	0.223	C	C	.	.			trans	-83.6	70.4	168.6	-70.2	-71.9	0	0	0	111	A93 F97 L126 Y129 T130 A149 F152 R156 M157 V158	A93-F154 HydrophobicContact CB-CE1 3.9Å; F97-F154 HydrophobicContact CD2-CZ 4.28Å; F97-F154 HydrophobicContact CE2-CE2 4.08Å; F97-F154 HydrophobicContact CE2-CZ 4.04Å; L126-F154 HydrophobicContact CB-CE2 4.43Å; L126-F154 HydrophobicContact CD1-CD2 4.36Å; L126-F154 HydrophobicContact CD1-CE2 4.26Å; L126-F154 HydrophobicContact CD2-CD2 4.14Å; Y129-F154 HydrophobicContact CD1-CD1 4.46Å; Y129-F154 HydrophobicContact CE1-CD1 4.3Å; T130-F154 HydrophobicContact CG2-CD1 4.41Å; T130-F154 HydrophobicContact CG2-CE1 3.36Å; T130-F154 HydrophobicContact CG2-CZ 3.56Å; A149-F154 HydrophobicContact CB-CB 4.19Å; A149-F154 PolarHBondContact O-N 3.48Å; F152-F154 HydrophobicContact CB-CD2 3.74Å; F152-F154 HydrophobicContact CB-CE2 3.67Å; F152-F154 PolarHBondContact O-N 3.44Å; F154-R156 VanDerWaalsContact C-N 3.32Å; F154-R156 PolarHBondContact O-N 3.3Å; F154-M157 HydrophobicContact CB-CB 4.13Å; F154-M157 WeakPolarHBondContact O-CB 3.25Å; F154-M157 PolarHBondContact O-N 3.21Å; F154-V158 PolarHBondContact O-N 3.44Å
155	L	90.3	Very high	92	Very high	91 Å²	91	40.8 Å²	40.8	48%	0.476	21%	0.209	S	C	.	.	H	α-helix	trans	-55.6	-39.6	-169.6	-56.6	-179	0	0	0	114.2	Q153 M157 V158 D159	Q153-L155 VanDerWaalsContact C-N 3.33Å; Q153-L155 PolarHBondContact O-N 3.25Å; L155-M157 VanDerWaalsContact C-N 3.27Å; L155-M157 PolarHBondContact O-N 2.84Å; L155-V158 WeakPolarHBondContact O-CB 3.49Å; L155-V158 PolarHBondContact O-N 3.25Å; L155-V158 VanDerWaalsContact O-N 3.17Å; L155-D159 PolarHBondContact O-N 2.99Å
156	R	91.8	Very high	91.9	Very high	182 Å²	182	42.8 Å²	42.8	69%	0.687	22%	0.221	S	C	*	.	H	α-helix	trans	-65.1	-30.8	177.3	-71.5	-168.1	-67	-103.6	2.4	113.5	Y129 F154 A160	Y129-R156 WeakPolarHBondContact OH-CB 3.16Å; Y129-R156 PolarHBondContact OH-NE 2.88Å; F154-R156 VanDerWaalsContact C-N 3.32Å; F154-R156 PolarHBondContact O-N 3.3Å; R156-A160 PolarHBondContact O-N 2.85Å
157	M	91.9	Very high	91.8	Very high	3 Å²	3	51 Å²	51	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-77.3	-35.8	174.9	-177.6	173.9	-91.6	0	0	110.9	L126 Y129 A135 V145 A149 F154 L155 D159 A160 C161	L126-M157 HydrophobicContact CD2-CE 4.15Å; L126-M157 HydrophobicContact CD2-SD 3.19Å; L126-M157 WeakPolarHBondContact CD2-SD 3.3Å; Y129-M157 VanDerWaalsContact CB-CE 3.44Å; Y129-M157 HydrophobicContact CD1-CE 3.83Å; Y129-M157 HydrophobicContact CD2-CE 3.85Å; Y129-M157 HydrophobicContact CE1-CB 4.41Å; Y129-M157 HydrophobicContact CG-CE 3.41Å; Y129-M157 VanDerWaalsContact CG-CE 3.41Å; A135-M157 HydrophobicContact CB-CE 3.41Å; A135-M157 VanDerWaalsContact CB-CE 3.41Å; V145-M157 HydrophobicContact CG1-CG 4.24Å; V145-M157 HydrophobicContact CG1-SD 3.65Å; A149-M157 HydrophobicContact CB-CB 4.14Å; A149-M157 HydrophobicContact CB-CG 4Å; A149-M157 HydrophobicContact CB-SD 4.07Å; F154-M157 HydrophobicContact CB-CB 4.13Å; F154-M157 WeakPolarHBondContact O-CB 3.25Å; F154-M157 PolarHBondContact O-N 3.21Å; L155-M157 VanDerWaalsContact C-N 3.27Å; L155-M157 PolarHBondContact O-N 2.84Å; M157-D159 VanDerWaalsContact C-N 3.3Å; M157-D159 PolarHBondContact O-N 3.11Å; M157-A160 PolarHBondContact O-N 3.37Å; M157-C161 WeakPolarHBondContact O-CB 3.35Å; M157-C161 PolarHBondContact O-N 3.45Å; M157-C161 PolarHBondContact O-SG 2.88Å; M157-C161 VanDerWaalsContact O-SG 3.38Å
158	V	92.1	Very high	91.7	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-55.9	-46.8	170.5	173.7	0	0	0	0	110.3	L146 A149 N150 F154 L155 A160 C161 A162 L186	L146-V158 HydrophobicContact CD1-CB 4.29Å; L146-V158 HydrophobicContact CD1-CG1 3.89Å; L146-V158 HydrophobicContact CD1-CG2 4.45Å; A149-V158 HydrophobicContact CB-CG2 3.86Å; N150-V158 HydrophobicContact CB-CG2 4.13Å; F154-V158 PolarHBondContact O-N 3.44Å; L155-V158 WeakPolarHBondContact O-CB 3.49Å; L155-V158 PolarHBondContact O-N 3.25Å; L155-V158 VanDerWaalsContact O-N 3.17Å; V158-A160 PolarHBondContact O-N 3.48Å; V158-C161 PolarHBondContact O-N 3.14Å; V158-A162 VanDerWaalsContact O-CB 3.32Å; V158-A162 WeakPolarHBondContact O-CB 3.32Å; V158-A162 PolarHBondContact O-N 2.88Å; V158-L186 HydrophobicContact CG1-CD1 4.43Å; V158-L186 HydrophobicContact CG1-CD2 3.45Å; V158-L186 VanDerWaalsContact CG1-CD2 3.45Å
159	D	91.3	Very high	91.6	Very high	95 Å²	95	49.9 Å²	49.9	51%	0.508	26%	0.26	S	S	.	.	H	α-helix	trans	-62.6	-39.9	177.1	-66.6	-30.7	0	0	0	112.7	L155 M157 A162 S163	L155-D159 PolarHBondContact O-N 2.99Å; M157-D159 VanDerWaalsContact C-N 3.3Å; M157-D159 PolarHBondContact O-N 3.11Å; D159-A162 PolarHBondContact O-N 3.44Å; D159-S163 WeakPolarHBondContact O-CB 3.46Å; D159-S163 PolarHBondContact O-N 3.19Å; D159-S163 PolarHBondContact O-OG 2.76Å
160	A	92.3	Very high	91.4	Very high	45 Å²	45	52.6 Å²	52.6	37%	0.372	27%	0.274	S	S	.	.	H	α-helix	trans	-66.5	-44.1	177.1	0	0	0	0	0	112.2	I137 R156 M157 V158 S163 F164	I137-A160 HydrophobicContact CD1-CB 3.94Å; R156-A160 PolarHBondContact O-N 2.85Å; M157-A160 PolarHBondContact O-N 3.37Å; V158-A160 PolarHBondContact O-N 3.48Å; A160-S163 PolarHBondContact O-N 3.21Å; A160-F164 PolarHBondContact O-N 3.49Å
161	C	93.1	Very high	91.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-42.5	174.7	-71.4	0	0	0	0	111.5	V142 L146 M157 V158 S163 F164 L165	V142-C161 HydrophobicContact CG2-CB 4.06Å; L146-C161 HydrophobicContact CB-CB 4.08Å; L146-C161 HydrophobicContact CD1-CB 3.67Å; L146-C161 HydrophobicContact CG-CB 4.42Å; M157-C161 WeakPolarHBondContact O-CB 3.35Å; M157-C161 PolarHBondContact O-N 3.45Å; M157-C161 PolarHBondContact O-SG 2.88Å; M157-C161 VanDerWaalsContact O-SG 3.38Å; V158-C161 PolarHBondContact O-N 3.14Å; C161-S163 PolarHBondContact O-N 3.27Å; C161-F164 PolarHBondContact O-N 3.42Å; C161-L165 VanDerWaalsContact O-CG 3.31Å; C161-L165 WeakPolarHBondContact O-CG 3.46Å; C161-L165 PolarHBondContact O-N 3.38Å
162	A	92	Very high	90.9	Very high	10 Å²	10	55.4 Å²	55.4	8%	0.083	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-43.6	175.8	0	0	0	0	0	111.5	V158 D159 F164 L165 T166 L189	V158-A162 VanDerWaalsContact O-CB 3.32Å; V158-A162 WeakPolarHBondContact O-CB 3.32Å; V158-A162 PolarHBondContact O-N 2.88Å; D159-A162 PolarHBondContact O-N 3.44Å; A162-F164 PolarHBondContact O-N 3.21Å; A162-L165 PolarHBondContact O-N 3.19Å; A162-T166 PolarHBondContact O-N 3.32Å; A162-T166 PolarHBondContact O-OG1 3.37Å; A162-T166 VanDerWaalsContact O-OG1 3.07Å; A162-L189 HydrophobicContact CB-CB 4.49Å; A162-L189 HydrophobicContact CB-CD2 4.35Å
163	S	92.1	Very high	90.7	Very high	68 Å²	68	57.1 Å²	57.1	48%	0.476	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-42.9	177.1	-57.3	0	0	0	0	112.1	D159 A160 C161 L165 T166 E167	D159-S163 WeakPolarHBondContact O-CB 3.46Å; D159-S163 PolarHBondContact O-N 3.19Å; D159-S163 PolarHBondContact O-OG 2.76Å; A160-S163 PolarHBondContact O-N 3.21Å; C161-S163 PolarHBondContact O-N 3.27Å; S163-L165 VanDerWaalsContact C-N 3.34Å; S163-L165 PolarHBondContact O-N 3.34Å; S163-T166 PolarHBondContact O-N 3.35Å; S163-E167 PolarHBondContact O-N 3.23Å; S163-E167 VanDerWaalsContact O-N 3.08Å
164	F	93.1	Very high	90.5	Very high	58 Å²	58	53.4 Å²	53.4	25%	0.254	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-41.2	174.8	-179.7	-91.6	0	0	0	112.3	I137 K139 V142 A160 C161 A162 E167 A168	I137-F164 HydrophobicContact CG2-CB 4.21Å; I137-F164 HydrophobicContact CG2-CD1 3.97Å; I137-F164 HydrophobicContact CG2-CD2 4.29Å; I137-F164 HydrophobicContact CG2-CE1 4.4Å; I137-F164 HydrophobicContact CG2-CG 3.9Å; K139-F164 HydrophobicContact CG-CE1 4.23Å; K139-F164 HydrophobicContact CG-CZ 4.04Å; V142-F164 HydrophobicContact CB-CD1 4.18Å; V142-F164 HydrophobicContact CB-CE1 4.32Å; V142-F164 HydrophobicContact CG1-CD1 4.39Å; V142-F164 HydrophobicContact CG1-CE1 4.28Å; V142-F164 HydrophobicContact CG2-CD1 3.93Å; A160-F164 PolarHBondContact O-N 3.49Å; C161-F164 PolarHBondContact O-N 3.42Å; A162-F164 PolarHBondContact O-N 3.21Å; F164-E167 PolarHBondContact O-N 2.9Å; F164-A168 WeakPolarHBondContact O-CB 3.32Å; F164-A168 PolarHBondContact O-N 3.45Å; F164-A168 VanDerWaalsContact O-N 3.09Å
165	L	91.9	Very high	90.2	Very high	13 Å²	13	53.3 Å²	53.3	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-39.2	176.9	-70.9	170.3	0	0	0	111.9	V142 L146 C161 A162 S163 A168 L169 I177 L180 L189	V142-L165 HydrophobicContact CG1-CD2 3.82Å; V142-L165 HydrophobicContact CG2-CD1 4.25Å; V142-L165 HydrophobicContact CG2-CD2 3.97Å; V142-L165 HydrophobicContact CG2-CG 3.87Å; L146-L165 HydrophobicContact CD2-CD1 3.9Å; C161-L165 VanDerWaalsContact O-CG 3.31Å; C161-L165 WeakPolarHBondContact O-CG 3.46Å; C161-L165 PolarHBondContact O-N 3.38Å; A162-L165 PolarHBondContact O-N 3.19Å; S163-L165 VanDerWaalsContact C-N 3.34Å; S163-L165 PolarHBondContact O-N 3.34Å; L165-A168 CarbonylContact O-C 3.56Å; L165-A168 PolarHBondContact O-N 3.48Å; L165-L169 PolarHBondContact O-N 3.34Å; L165-I177 HydrophobicContact CB-CD1 4.46Å; L165-I177 HydrophobicContact CB-CG2 4.2Å; L165-I177 HydrophobicContact CD1-CG2 4.5Å; L165-I177 HydrophobicContact CD2-CD1 4.23Å; L165-I177 HydrophobicContact CD2-CG1 4.22Å; L165-L180 HydrophobicContact CD1-CD2 3.84Å; L165-L189 HydrophobicContact CB-CD1 4.38Å; L165-L189 HydrophobicContact CD1-CD2 4.05Å
166	T	90.4	Very high	90.1	Very high	43 Å²	43	50.6 Å²	50.6	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-63.1	-42.3	176.2	-59.4	0	0	0	0	112	A162 S163 A168 L169 L189 Q192	A162-T166 PolarHBondContact O-N 3.32Å; A162-T166 PolarHBondContact O-OG1 3.37Å; A162-T166 VanDerWaalsContact O-OG1 3.07Å; S163-T166 PolarHBondContact O-N 3.35Å; T166-A168 VanDerWaalsContact C-N 3.26Å; T166-A168 PolarHBondContact O-N 2.64Å; T166-L169 HydrophobicContact CG2-CD1 4.26Å; T166-L169 WeakPolarHBondContact O-CD1 2.97Å; T166-L169 WeakPolarHBondContact O-CG 3.38Å; T166-L169 PolarHBondContact O-N 2.98Å; T166-L189 VanDerWaalsContact OG1-CD1 3.31Å; T166-L189 WeakPolarHBondContact OG1-CD1 3.5Å; T166-Q192 PolarHBondContact OG1-OE1 3.22Å
167	E	90	Very high	90	Very high	172 Å²	172	42.5 Å²	42.5	80%	0.804	24%	0.242	S	C	*	.	H	α-helix	trans	-68.6	-27.1	176.1	-70.7	-178.9	-176.8	0	0	112.8	S163 F164	S163-E167 PolarHBondContact O-N 3.23Å; S163-E167 VanDerWaalsContact O-N 3.08Å; F164-E167 PolarHBondContact O-N 2.9Å
168	A	89.6	Confident	89.9	Confident	27 Å²	27	42.4 Å²	42.4	22%	0.223	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	9.5	-179.8	0	0	0	0	0	114.2	F164 L165 T166 N170 N173	F164-A168 WeakPolarHBondContact O-CB 3.32Å; F164-A168 PolarHBondContact O-N 3.45Å; F164-A168 VanDerWaalsContact O-N 3.09Å; L165-A168 CarbonylContact O-C 3.56Å; L165-A168 PolarHBondContact O-N 3.48Å; T166-A168 VanDerWaalsContact C-N 3.26Å; T166-A168 PolarHBondContact O-N 2.64Å; A168-N170 PolarHBondContact O-N 3.27Å; A168-N173 PolarHBondContact O-ND2 3.04Å
169	L	90.3	Very high	89.7	Confident	25 Å²	25	49 Å²	49	13%	0.131	27%	0.266	C	S	.	.			trans	-62.3	129.3	-178.9	-76.6	169.1	0	0	0	112.3	L165 T166 I177 V193 Y196	L165-L169 PolarHBondContact O-N 3.34Å; T166-L169 HydrophobicContact CG2-CD1 4.26Å; T166-L169 WeakPolarHBondContact O-CD1 2.97Å; T166-L169 WeakPolarHBondContact O-CG 3.38Å; T166-L169 PolarHBondContact O-N 2.98Å; L169-I177 HydrophobicContact CD2-CB 4.48Å; L169-I177 HydrophobicContact CD2-CD1 3.71Å; L169-I177 HydrophobicContact CD2-CG2 4.42Å; L169-V193 HydrophobicContact CD1-CG2 4.46Å; L169-V193 HydrophobicContact CD2-CG1 4.42Å; L169-V193 HydrophobicContact CD2-CG2 3.92Å; L169-Y196 HydrophobicContact CB-CD1 4.4Å; L169-Y196 HydrophobicContact CB-CD2 4.11Å; L169-Y196 HydrophobicContact CB-CE1 4.41Å; L169-Y196 HydrophobicContact CB-CE2 4.1Å; L169-Y196 HydrophobicContact CB-CG 4.26Å; L169-Y196 HydrophobicContact CD1-CD2 4.35Å; L169-Y196 HydrophobicContact CD1-CG 4.15Å
170	N	89.2	Confident	89.6	Confident	56 Å²	56	45.3 Å²	45.3	30%	0.299	25%	0.246	S	C	.	.			trans	-142.1	165.1	174.1	68.9	44	0	0	0	110.4	A168 E172 N173 C174 Y196	A168-N170 PolarHBondContact O-N 3.27Å; N170-E172 PolarHBondContact O-N 3.32Å; N170-E172 WeakPolarHBondContact OD1-CA 3.46Å; N170-E172 PolarHBondContact OD1-N 2.95Å; N170-N173 PolarHBondContact N-OD1 3.11Å; N170-N173 PolarHBondContact ND2-ND2 3.44Å; N170-N173 VanDerWaalsContact ND2-ND2 3.16Å; N170-N173 PolarHBondContact O-N 3.45Å; N170-N173 PolarHBondContact O-OD1 3.34Å; N170-N173 VanDerWaalsContact OD1-CB 3.32Å; N170-N173 WeakPolarHBondContact OD1-CB 3.44Å; N170-N173 PolarHBondContact OD1-N 3.33Å; N170-N173 PolarHBondContact OD1-OD1 3.43Å; N170-C174 WeakPolarHBondContact O-CB 3.31Å; N170-C174 PolarHBondContact O-N 2.96Å; N170-Y196 WeakPolarHBondContact CA-OH 3.11Å
171	P	84.9	Confident	89.5	Confident	31 Å²	31	43.2 Å²	43.2	20%	0.201	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.2	-179.2	-25.9	36.7	0	0	0	113.9	C174 Y196 Q203 I204	P171-C174 PolarHBondContact O-SG 3.34Å; P171-C174 VanDerWaalsContact O-SG 3.42Å; P171-Y196 WeakPolarHBondContact CD-OH 3.49Å; P171-Q203 HydrophobicContact CG-CB 4.3Å; P171-I204 HydrophobicContact CB-CG1 4Å
172	E	85.5	Confident	89.3	Confident	152 Å²	152	45.8 Å²	45.8	71%	0.71	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-9	-177	-62	-178.6	174.7	0	0	114.3	N170 E209	N170-E172 PolarHBondContact O-N 3.32Å; N170-E172 WeakPolarHBondContact OD1-CA 3.46Å; N170-E172 PolarHBondContact OD1-N 2.95Å; E172-E209 VanDerWaalsContact O-OE1 3.07Å
173	N	88.2	Confident	89.2	Confident	37 Å²	37	50.4 Å²	50.4	20%	0.198	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-7.9	-177.5	74	5.6	0	0	0	113.5	A168 N170 V175 G176 I177	A168-N173 PolarHBondContact O-ND2 3.04Å; N170-N173 PolarHBondContact N-OD1 3.11Å; N170-N173 PolarHBondContact ND2-ND2 3.44Å; N170-N173 VanDerWaalsContact ND2-ND2 3.16Å; N170-N173 PolarHBondContact O-N 3.45Å; N170-N173 PolarHBondContact O-OD1 3.34Å; N170-N173 VanDerWaalsContact OD1-CB 3.32Å; N170-N173 WeakPolarHBondContact OD1-CB 3.44Å; N170-N173 PolarHBondContact OD1-N 3.33Å; N170-N173 PolarHBondContact OD1-OD1 3.43Å; N173-V175 VanDerWaalsContact C-N 3.3Å; N173-V175 PolarHBondContact O-N 3.29Å; N173-G176 PolarHBondContact O-N 2.98Å; N173-I177 HydrophobicContact CB-CD1 4.32Å; N173-I177 VanDerWaalsContact O-CG1 3.31Å; N173-I177 WeakPolarHBondContact O-CG1 3.45Å; N173-I177 PolarHBondContact O-N 3.31Å
174	C	88.2	Confident	88.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-36.6	-172.5	63.9	0	0	0	0	112.3	N170 P171 L178 V193 Y196 I197	N170-C174 WeakPolarHBondContact O-CB 3.31Å; N170-C174 PolarHBondContact O-N 2.96Å; P171-C174 PolarHBondContact O-SG 3.34Å; P171-C174 VanDerWaalsContact O-SG 3.42Å; C174-L178 VanDerWaalsContact O-CB 3.3Å; C174-L178 WeakPolarHBondContact O-CB 3.37Å; C174-L178 PolarHBondContact O-N 3.35Å; C174-V193 HydrophobicContact CB-CG1 4.37Å; C174-V193 VanDerWaalsContact O-CG1 3.27Å; C174-V193 WeakPolarHBondContact O-CG1 3.31Å; C174-Y196 HydrophobicContact CB-CD1 4.23Å; C174-Y196 HydrophobicContact CB-CE1 4.35Å; C174-I197 HydrophobicContact CB-CG1 4.23Å
175	V	86.6	Confident	88.7	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-73.4	-40.5	178.6	-178.4	0	0	0	0	110.5	N173 L178 R179 E209 L213	N173-V175 VanDerWaalsContact C-N 3.3Å; N173-V175 PolarHBondContact O-N 3.29Å; V175-L178 WeakPolarHBondContact O-CB 3.31Å; V175-L178 PolarHBondContact O-N 3.2Å; V175-R179 WeakPolarHBondContact O-CG 3.28Å; V175-R179 PolarHBondContact O-N 3.24Å; V175-E209 HydrophobicContact CB-CB 4.1Å; V175-E209 HydrophobicContact CG2-CB 4.1Å; V175-L213 HydrophobicContact CG1-CG 4.27Å; V175-L213 HydrophobicContact CG2-CD1 3.87Å; V175-L213 HydrophobicContact CG2-CG 4.14Å
176	G	87.8	Confident	88.5	Confident	35 Å²	35	50.7 Å²	50.7	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-56.5	-49.2	171.7	0	0	0	0	0	112.8	N173 L178 R179 L180 E209	N173-G176 PolarHBondContact O-N 2.98Å; G176-L178 VanDerWaalsContact C-N 3.33Å; G176-L178 PolarHBondContact O-N 3.03Å; G176-R179 PolarHBondContact O-N 3.17Å; G176-L180 PolarHBondContact O-N 2.92Å; G176-E209 PolarHBondContact N-OE2 3.26Å
177	I	89.7	Confident	88.4	Confident	11 Å²	11	53.8 Å²	53.8	6%	0.056	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-37.5	178.9	-63	170	0	0	0	111	L165 L169 N173 L180 A181 L189 V193	L165-I177 HydrophobicContact CB-CD1 4.46Å; L165-I177 HydrophobicContact CB-CG2 4.2Å; L165-I177 HydrophobicContact CD1-CG2 4.5Å; L165-I177 HydrophobicContact CD2-CD1 4.23Å; L165-I177 HydrophobicContact CD2-CG1 4.22Å; L169-I177 HydrophobicContact CD2-CB 4.48Å; L169-I177 HydrophobicContact CD2-CD1 3.71Å; L169-I177 HydrophobicContact CD2-CG2 4.42Å; N173-I177 HydrophobicContact CB-CD1 4.32Å; N173-I177 VanDerWaalsContact O-CG1 3.31Å; N173-I177 WeakPolarHBondContact O-CG1 3.45Å; N173-I177 PolarHBondContact O-N 3.31Å; I177-L180 WeakPolarHBondContact O-CB 3.41Å; I177-L180 PolarHBondContact O-N 3.4Å; I177-A181 WeakPolarHBondContact O-CB 3.34Å; I177-A181 PolarHBondContact O-N 3.07Å; I177-L189 HydrophobicContact CG2-CD1 4.2Å; I177-L189 HydrophobicContact CG2-CD2 4.03Å; I177-L189 HydrophobicContact CG2-CG 4.22Å; I177-V193 HydrophobicContact CB-CG2 4.43Å; I177-V193 HydrophobicContact CG2-CG2 3.74Å
178	L	90	Very high	88.4	Confident	1 Å²	1	49 Å²	49	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-46	174.8	-179.3	67.9	0	0	0	111.7	C174 V175 G176 L180 A181 D182 K190 V193 Q194 I197 L213 T217	C174-L178 VanDerWaalsContact O-CB 3.3Å; C174-L178 WeakPolarHBondContact O-CB 3.37Å; C174-L178 PolarHBondContact O-N 3.35Å; V175-L178 WeakPolarHBondContact O-CB 3.31Å; V175-L178 PolarHBondContact O-N 3.2Å; G176-L178 VanDerWaalsContact C-N 3.33Å; G176-L178 PolarHBondContact O-N 3.03Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 3.46Å; L178-A181 WeakPolarHBondContact O-CB 3.41Å; L178-A181 PolarHBondContact O-N 2.95Å; L178-D182 PolarHBondContact O-N 3.22Å; L178-K190 HydrophobicContact CD1-CG 3.81Å; L178-V193 HydrophobicContact CB-CG1 3.88Å; L178-V193 HydrophobicContact CD1-CB 4.47Å; L178-V193 HydrophobicContact CD1-CG1 4.32Å; L178-Q194 HydrophobicContact CD1-CG 4.13Å; L178-I197 HydrophobicContact CD2-CD1 4.34Å; L178-L213 HydrophobicContact CD2-CD2 3.9Å; L178-T217 HydrophobicContact CD1-CG2 4.49Å; L178-T217 HydrophobicContact CD2-CG2 3.49Å; L178-T217 VanDerWaalsContact CD2-CG2 3.49Å
179	R	88.6	Confident	88.4	Confident	146 Å²	146	47.7 Å²	47.7	55%	0.551	27%	0.265	S	S	*	.	H	α-helix	trans	-63	-38.5	177.6	-72.1	176.2	64.6	177.4	-0	112	V175 G176 D182 T183	V175-R179 WeakPolarHBondContact O-CG 3.28Å; V175-R179 PolarHBondContact O-N 3.24Å; G176-R179 PolarHBondContact O-N 3.17Å; R179-D182 PolarHBondContact O-N 3.47Å; R179-T183 WeakPolarHBondContact O-CB 3.39Å; R179-T183 PolarHBondContact O-N 3.03Å; R179-T183 PolarHBondContact O-OG1 2.87Å
180	L	88.3	Confident	88.4	Confident	18 Å²	18	49.1 Å²	49.1	9%	0.094	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-45.5	174.9	-171.9	69.4	0	0	0	111	Q143 L146 E147 L165 G176 I177 L178 D182 T183 H184	Q143-L180 HydrophobicContact CG-CD1 3.89Å; Q143-L180 HydrophobicContact CG-CD2 4.43Å; L146-L180 HydrophobicContact CD2-CD1 4.49Å; L146-L180 HydrophobicContact CD2-CD2 3.48Å; L146-L180 VanDerWaalsContact CD2-CD2 3.48Å; L146-L180 HydrophobicContact CD2-CG 3.81Å; E147-L180 HydrophobicContact CG-CD1 4.42Å; L165-L180 HydrophobicContact CD1-CD2 3.84Å; G176-L180 PolarHBondContact O-N 2.92Å; I177-L180 WeakPolarHBondContact O-CB 3.41Å; I177-L180 PolarHBondContact O-N 3.4Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 3.46Å; L180-D182 PolarHBondContact O-N 3.48Å; L180-T183 PolarHBondContact O-N 2.99Å; L180-H184 PolarHBondContact O-CD2 3.5Å; L180-H184 VanDerWaalsContact O-CD2 3.25Å; L180-H184 PolarHBondContact O-N 2.74Å; L180-H184 VanDerWaalsContact O-N 3.11Å
181	A	90.8	Very high	88.5	Confident	1 Å²	1	53 Å²	53	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-42.9	176.3	0	0	0	0	0	111.8	I177 L178 H184 S185 L186 L189 K190	I177-A181 WeakPolarHBondContact O-CB 3.34Å; I177-A181 PolarHBondContact O-N 3.07Å; L178-A181 WeakPolarHBondContact O-CB 3.41Å; L178-A181 PolarHBondContact O-N 2.95Å; A181-H184 PolarHBondContact O-N 2.78Å; A181-S185 PolarHBondContact O-N 3.13Å; A181-L186 HydrophobicContact CB-CB 4.24Å; A181-L186 PolarHBondContact O-N 3.31Å; A181-L189 HydrophobicContact CB-CB 4.21Å; A181-L189 HydrophobicContact CB-CD2 4.04Å; A181-L189 HydrophobicContact CB-CG 4.07Å; A181-K190 HydrophobicContact CB-CB 4.16Å
182	D	89.2	Confident	88.7	Confident	53 Å²	53	55.8 Å²	55.8	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-64.6	-45.7	176.8	-82.3	-23.3	0	0	0	112.3	L178 R179 L180 H184 S185 K190	L178-D182 PolarHBondContact O-N 3.22Å; R179-D182 PolarHBondContact O-N 3.47Å; L180-D182 PolarHBondContact O-N 3.48Å; D182-H184 PolarHBondContact O-N 3.28Å; D182-S185 PolarHBondContact O-N 3.35Å; D182-K190 WeakPolarHBondContact OD1-CD 3.46Å; D182-K190 WeakPolarHBondContact OD1-CE 3.36Å; D182-K190 IonicContact OD1-NZ 2.64Å; D182-K190 PolarHBondContact OD1-NZ 2.78Å; D182-K190 IonicContact OD2-NZ 3.8Å
183	T	88.1	Confident	89	Confident	108 Å²	108	48.6 Å²	48.6	66%	0.663	26%	0.261	S	S	*	.	H	α-helix	trans	-61.9	-34.3	-179.3	-56.5	0	0	0	0	111.8	R179 L180	R179-T183 WeakPolarHBondContact O-CB 3.39Å; R179-T183 PolarHBondContact O-N 3.03Å; R179-T183 PolarHBondContact O-OG1 2.87Å; L180-T183 PolarHBondContact O-N 2.99Å
184	H	87.1	Confident	89.2	Confident	32 Å²	32	47.7 Å²	47.7	15%	0.148	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	6.1	-179.1	-66.7	-50.9	0	0	0	114.7	E147 N150 L180 A181 D182 L186	E147-H184 WeakPolarHBondContact CG-NE2 3.16Å; N150-H184 VanDerWaalsContact ND2-CB 3.35Å; N150-H184 WeakPolarHBondContact ND2-CB 3.28Å; N150-H184 PolarHBondContact ND2-ND1 3.35Å; N150-H184 PolarHBondContact ND2-O 3.37Å; L180-H184 PolarHBondContact O-CD2 3.5Å; L180-H184 VanDerWaalsContact O-CD2 3.25Å; L180-H184 PolarHBondContact O-N 2.74Å; L180-H184 VanDerWaalsContact O-N 3.11Å; A181-H184 PolarHBondContact O-N 2.78Å; D182-H184 PolarHBondContact O-N 3.28Å; H184-L186 VanDerWaalsContact C-N 3.28Å; H184-L186 HydrophobicContact CB-CD1 4.11Å; H184-L186 HydrophobicContact CB-CG 3.9Å; H184-L186 PolarHBondContact O-N 3.4Å
185	S	87.9	Confident	89.3	Confident	94 Å²	94	50.5 Å²	50.5	66%	0.657	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	39.9	-178.4	-54.3	0	0	0	0	113.4	A181 D182 D187	A181-S185 PolarHBondContact O-N 3.13Å; D182-S185 PolarHBondContact O-N 3.35Å; S185-D187 PolarHBondContact O-N 2.99Å
186	L	88.6	Confident	89.5	Confident	19 Å²	19	52.5 Å²	52.5	10%	0.099	28%	0.283	C	S	.	.			trans	-88.6	79.7	177.5	-57.8	175.9	0	0	0	110.5	L146 V158 A181 H184 S188 L189 K190	L146-L186 HydrophobicContact CD1-CD1 3.94Å; L146-L186 HydrophobicContact CD2-CD1 3.78Å; L146-L186 HydrophobicContact CG-CD1 4.22Å; V158-L186 HydrophobicContact CG1-CD1 4.43Å; V158-L186 HydrophobicContact CG1-CD2 3.45Å; V158-L186 VanDerWaalsContact CG1-CD2 3.45Å; A181-L186 HydrophobicContact CB-CB 4.24Å; A181-L186 PolarHBondContact O-N 3.31Å; H184-L186 VanDerWaalsContact C-N 3.28Å; H184-L186 HydrophobicContact CB-CD1 4.11Å; H184-L186 HydrophobicContact CB-CG 3.9Å; H184-L186 PolarHBondContact O-N 3.4Å; L186-S188 VanDerWaalsContact C-N 3.3Å; L186-S188 PolarHBondContact O-N 3.35Å; L186-L189 HydrophobicContact CB-CB 4.14Å; L186-L189 HydrophobicContact CD1-CD2 4.23Å; L186-L189 PolarHBondContact O-N 3.19Å; L186-K190 WeakPolarHBondContact O-CB 3.45Å; L186-K190 PolarHBondContact O-N 3.13Å
187	D	88.2	Confident	89.6	Confident	108 Å²	108	50.9 Å²	50.9	58%	0.578	27%	0.266	S	S	*	.	H	α-helix	trans	-61.8	-33.7	-173.8	-67.7	-47.7	0	0	0	114.1	S185 K191	S185-D187 PolarHBondContact O-N 2.99Å; D187-K191 WeakPolarHBondContact O-CG 3.15Å; D187-K191 PolarHBondContact O-N 2.76Å; D187-K191 VanDerWaalsContact O-N 3.11Å
188	S	88.9	Confident	89.6	Confident	71 Å²	71	51.3 Å²	51.3	50%	0.497	27%	0.268	S	S	.	.	H	α-helix	trans	-66.2	-49.3	178.8	54.6	0	0	0	0	111.3	L186 K191 Q192	L186-S188 VanDerWaalsContact C-N 3.3Å; L186-S188 PolarHBondContact O-N 3.35Å; S188-K191 PolarHBondContact O-N 3.49Å; S188-Q192 WeakPolarHBondContact O-CG 3.28Å; S188-Q192 PolarHBondContact O-N 3.33Å; S188-Q192 VanDerWaalsContact O-N 3.17Å
189	L	91.1	Very high	89.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-45	176.8	-177.8	60.8	0	0	0	110.5	A162 L165 T166 I177 A181 L186 K191 Q192 V193	A162-L189 HydrophobicContact CB-CB 4.49Å; A162-L189 HydrophobicContact CB-CD2 4.35Å; L165-L189 HydrophobicContact CB-CD1 4.38Å; L165-L189 HydrophobicContact CD1-CD2 4.05Å; T166-L189 VanDerWaalsContact OG1-CD1 3.31Å; T166-L189 WeakPolarHBondContact OG1-CD1 3.5Å; I177-L189 HydrophobicContact CG2-CD1 4.2Å; I177-L189 HydrophobicContact CG2-CD2 4.03Å; I177-L189 HydrophobicContact CG2-CG 4.22Å; A181-L189 HydrophobicContact CB-CB 4.21Å; A181-L189 HydrophobicContact CB-CD2 4.04Å; A181-L189 HydrophobicContact CB-CG 4.07Å; L186-L189 HydrophobicContact CB-CB 4.14Å; L186-L189 HydrophobicContact CD1-CD2 4.23Å; L186-L189 PolarHBondContact O-N 3.19Å; L189-K191 VanDerWaalsContact C-N 3.34Å; L189-K191 PolarHBondContact O-N 3.42Å; L189-Q192 PolarHBondContact O-N 3.09Å; L189-Q192 VanDerWaalsContact O-N 3.12Å; L189-V193 HydrophobicContact CD1-CG2 4.1Å; L189-V193 HydrophobicContact CG-CG2 4.24Å; L189-V193 VanDerWaalsContact O-CG2 3.25Å; L189-V193 WeakPolarHBondContact O-CG2 3.33Å; L189-V193 PolarHBondContact O-N 3.21Å
190	K	90.3	Very high	89.6	Confident	55 Å²	55	52.1 Å²	52.1	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-53.1	-49.4	176.8	-175.6	-176.8	-174.2	157.8	0	112.1	L178 A181 D182 L186 Q192 V193 Q194	L178-K190 HydrophobicContact CD1-CG 3.81Å; A181-K190 HydrophobicContact CB-CB 4.16Å; D182-K190 WeakPolarHBondContact OD1-CD 3.46Å; D182-K190 WeakPolarHBondContact OD1-CE 3.36Å; D182-K190 IonicContact OD1-NZ 2.64Å; D182-K190 PolarHBondContact OD1-NZ 2.78Å; D182-K190 IonicContact OD2-NZ 3.8Å; L186-K190 WeakPolarHBondContact O-CB 3.45Å; L186-K190 PolarHBondContact O-N 3.13Å; K190-Q192 VanDerWaalsContact C-N 3.35Å; K190-Q192 PolarHBondContact O-N 3Å; K190-V193 PolarHBondContact O-N 2.71Å; K190-Q194 WeakPolarHBondContact O-CB 3.27Å; K190-Q194 VanDerWaalsContact O-CG 3.29Å; K190-Q194 WeakPolarHBondContact O-CG 3.4Å; K190-Q194 PolarHBondContact O-N 2.87Å
191	K	90.7	Very high	89.6	Confident	138 Å²	138	51.3 Å²	51.3	60%	0.6	28%	0.275	S	S	*	.	H	α-helix	trans	-63	-39.9	178.7	-74	174.3	-177.9	175.6	0	112.4	D187 S188 L189 S195	D187-K191 WeakPolarHBondContact O-CG 3.15Å; D187-K191 PolarHBondContact O-N 2.76Å; D187-K191 VanDerWaalsContact O-N 3.11Å; S188-K191 PolarHBondContact O-N 3.49Å; L189-K191 VanDerWaalsContact C-N 3.34Å; L189-K191 PolarHBondContact O-N 3.42Å; K191-S195 WeakPolarHBondContact O-CB 3.27Å; K191-S195 PolarHBondContact O-N 2.93Å; K191-S195 PolarHBondContact O-OG 3.16Å
192	Q	90.3	Very high	89.3	Confident	89 Å²	89	53.7 Å²	53.7	42%	0.416	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-44.5	177.8	-71.6	174.6	3	0	0	111.6	T166 S188 L189 K190 S195 Y196	T166-Q192 PolarHBondContact OG1-OE1 3.22Å; S188-Q192 WeakPolarHBondContact O-CG 3.28Å; S188-Q192 PolarHBondContact O-N 3.33Å; S188-Q192 VanDerWaalsContact O-N 3.17Å; L189-Q192 PolarHBondContact O-N 3.09Å; L189-Q192 VanDerWaalsContact O-N 3.12Å; K190-Q192 VanDerWaalsContact C-N 3.35Å; K190-Q192 PolarHBondContact O-N 3Å; Q192-S195 WeakPolarHBondContact O-CB 3.29Å; Q192-S195 PolarHBondContact O-N 3.06Å; Q192-Y196 PolarHBondContact O-N 3.16Å
193	V	91.6	Very high	89	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-44.3	176.6	179.4	0	0	0	0	111.1	L169 C174 I177 L178 L189 K190 S195 Y196 I197	L169-V193 HydrophobicContact CD1-CG2 4.46Å; L169-V193 HydrophobicContact CD2-CG1 4.42Å; L169-V193 HydrophobicContact CD2-CG2 3.92Å; C174-V193 HydrophobicContact CB-CG1 4.37Å; C174-V193 VanDerWaalsContact O-CG1 3.27Å; C174-V193 WeakPolarHBondContact O-CG1 3.31Å; I177-V193 HydrophobicContact CB-CG2 4.43Å; I177-V193 HydrophobicContact CG2-CG2 3.74Å; L178-V193 HydrophobicContact CB-CG1 3.88Å; L178-V193 HydrophobicContact CD1-CB 4.47Å; L178-V193 HydrophobicContact CD1-CG1 4.32Å; L189-V193 HydrophobicContact CD1-CG2 4.1Å; L189-V193 HydrophobicContact CG-CG2 4.24Å; L189-V193 VanDerWaalsContact O-CG2 3.25Å; L189-V193 WeakPolarHBondContact O-CG2 3.33Å; L189-V193 PolarHBondContact O-N 3.21Å; K190-V193 PolarHBondContact O-N 2.71Å; V193-S195 VanDerWaalsContact C-N 3.31Å; V193-S195 PolarHBondContact O-N 3.39Å; V193-Y196 WeakPolarHBondContact O-CB 3.47Å; V193-Y196 PolarHBondContact O-N 3.47Å; V193-I197 HydrophobicContact CG1-CD1 4Å; V193-I197 HydrophobicContact CG1-CG1 4.48Å; V193-I197 WeakPolarHBondContact O-CG1 3.31Å; V193-I197 PolarHBondContact O-N 2.94Å
194	Q	90.6	Very high	88.7	Confident	19 Å²	19	51.5 Å²	51.5	9%	0.089	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-42.3	174.8	-74.8	176.2	-30.8	0	0	111.8	L178 K190 Y196 I197 I198 T217	L178-Q194 HydrophobicContact CD1-CG 4.13Å; K190-Q194 WeakPolarHBondContact O-CB 3.27Å; K190-Q194 VanDerWaalsContact O-CG 3.29Å; K190-Q194 WeakPolarHBondContact O-CG 3.4Å; K190-Q194 PolarHBondContact O-N 2.87Å; Q194-Y196 VanDerWaalsContact C-N 3.33Å; Q194-Y196 PolarHBondContact O-N 3.25Å; Q194-I197 PolarHBondContact O-N 2.99Å; Q194-I198 VanDerWaalsContact O-CG1 3.25Å; Q194-I198 WeakPolarHBondContact O-CG1 3.45Å; Q194-I198 PolarHBondContact O-N 3.26Å; Q194-T217 HydrophobicContact CG-CG2 4.37Å
195	S	90.8	Very high	88.2	Confident	59 Å²	59	52.4 Å²	52.4	41%	0.413	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-39.6	176.2	-58.1	0	0	0	0	111.8	K191 Q192 V193 I198 Q199	K191-S195 WeakPolarHBondContact O-CB 3.27Å; K191-S195 PolarHBondContact O-N 2.93Å; K191-S195 PolarHBondContact O-OG 3.16Å; Q192-S195 WeakPolarHBondContact O-CB 3.29Å; Q192-S195 PolarHBondContact O-N 3.06Å; V193-S195 VanDerWaalsContact C-N 3.31Å; V193-S195 PolarHBondContact O-N 3.39Å; S195-I198 PolarHBondContact O-N 3.13Å; S195-Q199 WeakPolarHBondContact O-CG 3.46Å; S195-Q199 PolarHBondContact O-N 3.44Å; S195-Q199 VanDerWaalsContact O-N 3.07Å
196	Y	90.9	Very high	87.7	Confident	46 Å²	46	54.9 Å²	54.9	18%	0.18	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-43.1	174.3	178.8	-91.2	0	0	0	112.1	L169 N170 P171 C174 Q192 V193 Q194 I198 Q199 N200	L169-Y196 HydrophobicContact CB-CD1 4.4Å; L169-Y196 HydrophobicContact CB-CD2 4.11Å; L169-Y196 HydrophobicContact CB-CE1 4.41Å; L169-Y196 HydrophobicContact CB-CE2 4.1Å; L169-Y196 HydrophobicContact CB-CG 4.26Å; L169-Y196 HydrophobicContact CD1-CD2 4.35Å; L169-Y196 HydrophobicContact CD1-CG 4.15Å; N170-Y196 WeakPolarHBondContact CA-OH 3.11Å; P171-Y196 WeakPolarHBondContact CD-OH 3.49Å; C174-Y196 HydrophobicContact CB-CD1 4.23Å; C174-Y196 HydrophobicContact CB-CE1 4.35Å; Q192-Y196 PolarHBondContact O-N 3.16Å; V193-Y196 WeakPolarHBondContact O-CB 3.47Å; V193-Y196 PolarHBondContact O-N 3.47Å; Q194-Y196 VanDerWaalsContact C-N 3.33Å; Q194-Y196 PolarHBondContact O-N 3.25Å; Y196-I198 VanDerWaalsContact C-N 3.34Å; Y196-Q199 PolarHBondContact O-N 3.02Å; Y196-N200 WeakPolarHBondContact CD2-ND2 3.3Å; Y196-N200 HydrophobicContact CE1-CB 4.4Å; Y196-N200 VanDerWaalsContact CE2-ND2 3.29Å; Y196-N200 WeakPolarHBondContact CE2-ND2 3.27Å; Y196-N200 PolarHBondContact O-N 3.5Å; Y196-N200 PolarHBondContact O-ND2 2.82Å; Y196-N200 VanDerWaalsContact O-ND2 3.14Å
197	I	90	Very high	87.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-43.3	176.8	-66.2	164.6	0	0	0	110.7	C174 L178 V193 Q194 Q199 N200 F201 I204 I221	C174-I197 HydrophobicContact CB-CG1 4.23Å; L178-I197 HydrophobicContact CD2-CD1 4.34Å; V193-I197 HydrophobicContact CG1-CD1 4Å; V193-I197 HydrophobicContact CG1-CG1 4.48Å; V193-I197 WeakPolarHBondContact O-CG1 3.31Å; V193-I197 PolarHBondContact O-N 2.94Å; Q194-I197 PolarHBondContact O-N 2.99Å; I197-Q199 VanDerWaalsContact C-N 3.31Å; I197-Q199 PolarHBondContact O-N 3.33Å; I197-N200 PolarHBondContact O-N 3.02Å; I197-F201 VanDerWaalsContact O-CA 3.3Å; I197-F201 WeakPolarHBondContact O-CA 3.41Å; I197-F201 WeakPolarHBondContact O-CB 3.25Å; I197-F201 PolarHBondContact O-N 3.38Å; I197-I204 HydrophobicContact CB-CD1 4.08Å; I197-I204 HydrophobicContact CG1-CD1 4.06Å; I197-I204 HydrophobicContact CG2-CD1 3.97Å; I197-I221 HydrophobicContact CB-CD1 4.44Å; I197-I221 HydrophobicContact CD1-CD1 4.26Å; I197-I221 HydrophobicContact CG2-CD1 3.82Å; I197-I221 HydrophobicContact CG2-CG1 4.45Å; I197-I221 HydrophobicContact CG2-CG2 4.21Å
198	I	90.6	Very high	87.1	Confident	21 Å²	21	57.8 Å²	57.8	11%	0.108	29%	0.293	C	S	.	.	H	α-helix	trans	-59.6	-42.6	177	-72.3	168.1	0	0	0	111	Q194 S195 Y196 I221 D226 Y228	Q194-I198 VanDerWaalsContact O-CG1 3.25Å; Q194-I198 WeakPolarHBondContact O-CG1 3.45Å; Q194-I198 PolarHBondContact O-N 3.26Å; S195-I198 PolarHBondContact O-N 3.13Å; Y196-I198 VanDerWaalsContact C-N 3.34Å; I198-I221 HydrophobicContact CG1-CG2 4.18Å; I198-D226 VanDerWaalsContact CG2-C 3.48Å; I198-D226 HydrophobicContact CG2-CB 4.02Å; I198-D226 VanDerWaalsContact CG2-O 3.22Å; I198-D226 WeakPolarHBondContact CG2-O 3.48Å; I198-Y228 VanDerWaalsContact O-CB 3.29Å; I198-Y228 WeakPolarHBondContact O-CB 3.32Å; I198-Y228 PolarHBondContact O-N 2.97Å
199	Q	89.4	Confident	86.7	Confident	126 Å²	126	57.9 Å²	57.9	59%	0.589	29%	0.285	S	S	*	.	H	α-helix	trans	-76.7	-31.1	-177.5	-71.2	176	6.4	0	0	114.2	S195 Y196 I197 Y228	S195-Q199 WeakPolarHBondContact O-CG 3.46Å; S195-Q199 PolarHBondContact O-N 3.44Å; S195-Q199 VanDerWaalsContact O-N 3.07Å; Y196-Q199 PolarHBondContact O-N 3.02Å; I197-Q199 VanDerWaalsContact C-N 3.31Å; I197-Q199 PolarHBondContact O-N 3.33Å; Q199-Y228 VanDerWaalsContact O-CB 3.3Å; Q199-Y228 WeakPolarHBondContact O-CB 3.29Å
200	N	87.9	Confident	86.3	Confident	38 Å²	38	58.1 Å²	58.1	20%	0.203	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	20.7	-176.7	-63.6	-79.2	0	0	0	112.9	Y196 I197 V202 Q203 I204	Y196-N200 WeakPolarHBondContact CD2-ND2 3.3Å; Y196-N200 HydrophobicContact CE1-CB 4.4Å; Y196-N200 VanDerWaalsContact CE2-ND2 3.29Å; Y196-N200 WeakPolarHBondContact CE2-ND2 3.27Å; Y196-N200 PolarHBondContact O-N 3.5Å; Y196-N200 PolarHBondContact O-ND2 2.82Å; Y196-N200 VanDerWaalsContact O-ND2 3.14Å; I197-N200 PolarHBondContact O-N 3.02Å; N200-V202 VanDerWaalsContact C-N 3.32Å; N200-V202 PolarHBondContact O-N 2.93Å; N200-Q203 WeakPolarHBondContact O-CB 3.43Å; N200-Q203 PolarHBondContact O-N 3.34Å; N200-I204 HydrophobicContact CB-CD1 4.25Å; N200-I204 WeakPolarHBondContact O-CG1 3.41Å; N200-I204 PolarHBondContact O-N 3.44Å
201	F	88.4	Confident	86	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-50.9	-47	-170.4	-170.5	-103.6	0	0	0	113.3	I197 Q203 I204 L205 F210 I221 L222 L227 V229 T238	I197-F201 VanDerWaalsContact O-CA 3.3Å; I197-F201 WeakPolarHBondContact O-CA 3.41Å; I197-F201 WeakPolarHBondContact O-CB 3.25Å; I197-F201 PolarHBondContact O-N 3.38Å; F201-Q203 VanDerWaalsContact C-N 3.29Å; F201-Q203 PolarHBondContact O-N 3.18Å; F201-I204 PolarHBondContact O-N 2.91Å; F201-I204 VanDerWaalsContact O-N 3.07Å; F201-L205 HydrophobicContact CD1-CD2 3.97Å; F201-L205 HydrophobicContact CD1-CG 4.47Å; F201-L205 HydrophobicContact CE1-CD2 3.65Å; F201-L205 HydrophobicContact CE2-CD2 4.5Å; F201-L205 HydrophobicContact CZ-CD2 3.95Å; F201-L205 WeakPolarHBondContact O-CG 3.32Å; F201-L205 PolarHBondContact O-N 2.79Å; F201-L205 VanDerWaalsContact O-N 3.12Å; F201-F210 AromaticContact CE2-CE2 3.96Å; F201-F210 HydrophobicContact CE2-CE2 3.96Å; F201-F210 HydrophobicContact CE2-CZ 4.08Å; F201-F210 HydrophobicContact CZ-CZ 4.44Å; F201-I221 HydrophobicContact CD2-CG2 4.35Å; F201-I221 HydrophobicContact CE2-CG2 4.27Å; F201-L222 HydrophobicContact CE2-CD2 4.44Å; F201-L222 HydrophobicContact CZ-CD2 4.06Å; F201-L227 HydrophobicContact CB-CD1 3.91Å; F201-L227 HydrophobicContact CB-CG 4.45Å; F201-L227 HydrophobicContact CD1-CD1 4.22Å; F201-L227 HydrophobicContact CD1-CD2 4.3Å; F201-L227 HydrophobicContact CD1-CG 4.28Å; F201-L227 HydrophobicContact CD2-CD1 3.56Å; F201-L227 HydrophobicContact CD2-CG 4.45Å; F201-L227 HydrophobicContact CE1-CD2 4.17Å; F201-L227 HydrophobicContact CE2-CD1 4.04Å; F201-L227 HydrophobicContact CG-CD1 3.63Å; F201-L227 HydrophobicContact CG-CG 4.16Å; F201-L227 HydrophobicContact CZ-CD2 4.3Å; F201-V229 HydrophobicContact CD1-CG1 3.4Å; F201-V229 HydrophobicContact CE1-CG1 3.86Å; F201-V229 HydrophobicContact CG-CG1 4.38Å; F201-T238 HydrophobicContact CE1-CG2 4.43Å; F201-T238 HydrophobicContact CZ-CG2 3.79Å
202	V	84.3	Confident	85.8	Confident	51 Å²	51	53.8 Å²	53.8	31%	0.309	27%	0.273	S	S	.	.	H	α-helix	trans	-57.4	-38	178.9	-179.3	0	0	0	0	112.9	N200 Y228	N200-V202 VanDerWaalsContact C-N 3.32Å; N200-V202 PolarHBondContact O-N 2.93Å; V202-Y228 HydrophobicContact CG2-CD1 4.42Å; V202-Y228 WeakPolarHBondContact CG2-O 3.45Å
203	Q	82.6	Confident	85.7	Confident	115 Å²	115	49.6 Å²	49.6	54%	0.537	25%	0.253	S	S	.	.	H	α-helix	trans	-72.7	-35.1	179.1	-62.1	178.6	10.4	0	0	111.2	P171 N200 F201 L205 N206	P171-Q203 HydrophobicContact CG-CB 4.3Å; N200-Q203 WeakPolarHBondContact O-CB 3.43Å; N200-Q203 PolarHBondContact O-N 3.34Å; F201-Q203 VanDerWaalsContact C-N 3.29Å; F201-Q203 PolarHBondContact O-N 3.18Å; Q203-L205 VanDerWaalsContact C-N 3.26Å; Q203-L205 PolarHBondContact O-N 3.46Å; Q203-N206 PolarHBondContact O-N 3.38Å
204	I	82.3	Confident	85.5	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-71.8	-22.3	-178.9	-61.4	168.5	0	0	0	111.3	P171 I197 N200 F201 N206 S207 F210	P171-I204 HydrophobicContact CB-CG1 4Å; I197-I204 HydrophobicContact CB-CD1 4.08Å; I197-I204 HydrophobicContact CG1-CD1 4.06Å; I197-I204 HydrophobicContact CG2-CD1 3.97Å; N200-I204 HydrophobicContact CB-CD1 4.25Å; N200-I204 WeakPolarHBondContact O-CG1 3.41Å; N200-I204 PolarHBondContact O-N 3.44Å; F201-I204 PolarHBondContact O-N 2.91Å; F201-I204 VanDerWaalsContact O-N 3.07Å; I204-N206 PolarHBondContact O-N 2.89Å; I204-N206 VanDerWaalsContact O-N 3.13Å; I204-S207 WeakPolarHBondContact O-CB 3.49Å; I204-S207 PolarHBondContact O-N 2.95Å; I204-S207 PolarHBondContact O-OG 2.92Å; I204-F210 HydrophobicContact CG2-CB 3.93Å; I204-F210 HydrophobicContact CG2-CD2 3.56Å; I204-F210 HydrophobicContact CG2-CE2 4.5Å; I204-F210 HydrophobicContact CG2-CG 4.1Å
205	L	77.6	Confident	85.5	Confident	52 Å²	52	52.4 Å²	52.4	27%	0.272	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.5	175.2	-59.3	-170.2	0	0	0	113.8	F201 Q203 S207 Q234 T238	F201-L205 HydrophobicContact CD1-CD2 3.97Å; F201-L205 HydrophobicContact CD1-CG 4.47Å; F201-L205 HydrophobicContact CE1-CD2 3.65Å; F201-L205 HydrophobicContact CE2-CD2 4.5Å; F201-L205 HydrophobicContact CZ-CD2 3.95Å; F201-L205 WeakPolarHBondContact O-CG 3.32Å; F201-L205 PolarHBondContact O-N 2.79Å; F201-L205 VanDerWaalsContact O-N 3.12Å; Q203-L205 VanDerWaalsContact C-N 3.26Å; Q203-L205 PolarHBondContact O-N 3.46Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-Q234 HydrophobicContact CD1-CB 4.3Å; L205-T238 HydrophobicContact CD2-CG2 3.56Å; L205-T238 WeakPolarHBondContact CD2-OG1 3.41Å
206	N	77.7	Confident	85.5	Confident	146 Å²	146	54.9 Å²	54.9	78%	0.781	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.4	179.8	-62.8	-35.3	0	0	0	113	Q203 I204	Q203-N206 PolarHBondContact O-N 3.38Å; I204-N206 PolarHBondContact O-N 2.89Å; I204-N206 VanDerWaalsContact O-N 3.13Å
207	S	81.8	Confident	85.3	Confident	19 Å²	19	53 Å²	53	13%	0.133	27%	0.274	C	S	.	.			trans	-88.5	137.6	-177.6	73.6	0	0	0	0	111.5	I204 L205 E209	I204-S207 WeakPolarHBondContact O-CB 3.49Å; I204-S207 PolarHBondContact O-N 2.95Å; I204-S207 PolarHBondContact O-OG 2.92Å; L205-S207 VanDerWaalsContact C-N 3.32Å; S207-E209 VanDerWaalsContact C-N 3.32Å
208	E	80.7	Confident	85.4	Confident	169 Å²	169	53 Å²	53	79%	0.79	27%	0.274	S	S	*	.	S	Bend	trans	-70.6	-30	174.4	-65.9	-170.9	167.5	0	0	112	F210 L211	E208-F210 PolarHBondContact O-N 3.28Å; E208-L211 WeakPolarHBondContact O-CB 3.28Å; E208-L211 PolarHBondContact O-N 3.23Å
209	E	80.2	Confident	85.4	Confident	72 Å²	72	53.3 Å²	53.3	34%	0.336	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-58.1	-32.2	178.5	-73.8	-145.1	156.1	0	0	112.7	E172 V175 G176 S207 L211 D212	E172-E209 VanDerWaalsContact O-OE1 3.07Å; V175-E209 HydrophobicContact CB-CB 4.1Å; V175-E209 HydrophobicContact CG2-CB 4.1Å; G176-E209 PolarHBondContact N-OE2 3.26Å; S207-E209 VanDerWaalsContact C-N 3.32Å; E209-L211 PolarHBondContact O-N 3.12Å; E209-D212 PolarHBondContact O-N 2.82Å
210	F	83.7	Confident	85.4	Confident	5 Å²	5	52.1 Å²	52.1	2%	0.022	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-59.7	-31.9	178.1	-177.3	-89.7	0	0	0	112.4	F201 I204 E208 D212 L213 L218 T238	F201-F210 AromaticContact CE2-CE2 3.96Å; F201-F210 HydrophobicContact CE2-CE2 3.96Å; F201-F210 HydrophobicContact CE2-CZ 4.08Å; F201-F210 HydrophobicContact CZ-CZ 4.44Å; I204-F210 HydrophobicContact CG2-CB 3.93Å; I204-F210 HydrophobicContact CG2-CD2 3.56Å; I204-F210 HydrophobicContact CG2-CE2 4.5Å; I204-F210 HydrophobicContact CG2-CG 4.1Å; E208-F210 PolarHBondContact O-N 3.28Å; F210-D212 PolarHBondContact O-N 2.93Å; F210-D212 VanDerWaalsContact O-N 3.16Å; F210-L213 HydrophobicContact CD2-CD1 3.32Å; F210-L213 HydrophobicContact CE2-CD1 3.55Å; F210-L213 HydrophobicContact CG-CD1 4.04Å; F210-L213 HydrophobicContact CZ-CD1 4.37Å; F210-L213 WeakPolarHBondContact O-CB 3.39Å; F210-L213 PolarHBondContact O-N 3.21Å; F210-L213 VanDerWaalsContact O-N 3.16Å; F210-L218 HydrophobicContact CE1-CD1 4.28Å; F210-L218 HydrophobicContact CE2-CD1 4.29Å; F210-L218 HydrophobicContact CZ-CD1 3.55Å; F210-T238 HydrophobicContact CD1-CG2 4.05Å; F210-T238 HydrophobicContact CE1-CG2 3.14Å; F210-T238 HydrophobicContact CE2-CG2 4.43Å; F210-T238 HydrophobicContact CZ-CG2 3.36Å
211	L	84.9	Confident	85.6	Confident	30 Å²	30	50.3 Å²	50.3	16%	0.157	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-66.5	-17.4	-180	-59.3	176.1	0	0	0	112.5	E208 E209 H245 R250	E208-L211 WeakPolarHBondContact O-CB 3.28Å; E208-L211 PolarHBondContact O-N 3.23Å; E209-L211 PolarHBondContact O-N 3.12Å; L211-H245 HydrophobicContact CB-CB 4.28Å; L211-H245 HydrophobicContact CD1-CB 4.41Å; L211-H245 HydrophobicContact CD2-CB 4.38Å; L211-R250 VanDerWaalsContact O-CZ 3.24Å; L211-R250 PolarHBondContact O-NH1 3.19Å; L211-R250 PolarHBondContact O-NH2 3.07Å
212	D	86.1	Confident	85.7	Confident	73 Å²	73	50.3 Å²	50.3	39%	0.39	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-96	5.2	177.9	-80.7	-36.8	0	0	0	114.5	E209 F210 K246	E209-D212 PolarHBondContact O-N 2.82Å; F210-D212 PolarHBondContact O-N 2.93Å; F210-D212 VanDerWaalsContact O-N 3.16Å; D212-K246 IonicContact OD1-NZ 2.76Å; D212-K246 PolarHBondContact OD1-NZ 2.87Å
213	L	87.1	Confident	86.1	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.274	C	S	.	.			trans	-59	135.3	175.3	-106	140.4	0	0	0	112.1	V175 L178 F210 T217 I221 W242	V175-L213 HydrophobicContact CG1-CG 4.27Å; V175-L213 HydrophobicContact CG2-CD1 3.87Å; V175-L213 HydrophobicContact CG2-CG 4.14Å; L178-L213 HydrophobicContact CD2-CD2 3.9Å; F210-L213 HydrophobicContact CD2-CD1 3.32Å; F210-L213 HydrophobicContact CE2-CD1 3.55Å; F210-L213 HydrophobicContact CG-CD1 4.04Å; F210-L213 HydrophobicContact CZ-CD1 4.37Å; F210-L213 WeakPolarHBondContact O-CB 3.39Å; F210-L213 PolarHBondContact O-N 3.21Å; F210-L213 VanDerWaalsContact O-N 3.16Å; L213-T217 HydrophobicContact CD2-CG2 3.73Å; L213-I221 HydrophobicContact CD2-CD1 4.09Å; L213-W242 PolarHBondContact O-NE1 2.96Å
214	P	88.3	Confident	86.4	Confident	51 Å²	51	50.3 Å²	50.3	33%	0.331	26%	0.257	S	S	.	.			trans	-61.5	147.3	168.6	-22.9	33.7	0	0	0	112.2	D216 T217 L218	P214-D216 VanDerWaalsContact C-N 3.33Å; P214-D216 PolarHBondContact O-N 3.08Å; P214-T217 PolarHBondContact O-N 3.45Å; P214-L218 PolarHBondContact O-N 3.09Å
215	V	90.7	Very high	86.7	Confident	26 Å²	26	52.2 Å²	52.2	16%	0.158	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-39.5	-177.1	65.6	0	0	0	0	112.8	T217 L218 H219 W242 L253 Y256 V257	V215-T217 PolarHBondContact O-N 3.29Å; V215-L218 PolarHBondContact O-N 2.7Å; V215-H219 WeakPolarHBondContact O-CB 3.28Å; V215-H219 PolarHBondContact O-N 3.2Å; V215-W242 HydrophobicContact CB-CH2 3.85Å; V215-W242 HydrophobicContact CB-CZ2 4.08Å; V215-W242 HydrophobicContact CG2-CH2 3.89Å; V215-L253 HydrophobicContact CB-CD1 4.15Å; V215-L253 HydrophobicContact CG1-CD1 4.24Å; V215-L253 HydrophobicContact CG2-CB 4.32Å; V215-L253 HydrophobicContact CG2-CD1 4.12Å; V215-Y256 HydrophobicContact CG2-CD1 4.12Å; V215-Y256 HydrophobicContact CG2-CE1 4.4Å; V215-V257 HydrophobicContact CG2-CG2 3.72Å
216	D	89.4	Confident	87.2	Confident	111 Å²	111	53.7 Å²	53.7	59%	0.594	28%	0.275	S	S	*	.	H	α-helix	trans	-66.3	-40.9	-177.4	-60.4	-45.4	0	0	0	111.7	P214 H220	P214-D216 VanDerWaalsContact C-N 3.33Å; P214-D216 PolarHBondContact O-N 3.08Å; D216-H220 WeakPolarHBondContact O-CB 3.24Å; D216-H220 PolarHBondContact O-N 3.24Å
217	T	88.6	Confident	87.7	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-70.6	-40.8	176.7	-50.4	0	0	0	0	110.8	L178 Q194 L213 P214 V215 H219 H220 I221	L178-T217 HydrophobicContact CD1-CG2 4.49Å; L178-T217 HydrophobicContact CD2-CG2 3.49Å; L178-T217 VanDerWaalsContact CD2-CG2 3.49Å; Q194-T217 HydrophobicContact CG-CG2 4.37Å; L213-T217 HydrophobicContact CD2-CG2 3.73Å; P214-T217 PolarHBondContact O-N 3.45Å; V215-T217 PolarHBondContact O-N 3.29Å; T217-H219 PolarHBondContact O-N 3.33Å; T217-H220 PolarHBondContact O-N 2.94Å; T217-I221 HydrophobicContact CG2-CD1 3.77Å; T217-I221 HydrophobicContact CG2-CG1 4.38Å; T217-I221 WeakPolarHBondContact O-CD1 3.2Å; T217-I221 VanDerWaalsContact O-CG1 3.27Å; T217-I221 WeakPolarHBondContact O-CG1 3.46Å; T217-I221 PolarHBondContact O-N 3.46Å
218	L	90.8	Very high	88	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-47.7	174.4	-179.5	62.7	0	0	0	111	F210 P214 V215 H220 I221 L222 W242 V257	F210-L218 HydrophobicContact CE1-CD1 4.28Å; F210-L218 HydrophobicContact CE2-CD1 4.29Å; F210-L218 HydrophobicContact CZ-CD1 3.55Å; P214-L218 PolarHBondContact O-N 3.09Å; V215-L218 PolarHBondContact O-N 2.7Å; L218-H220 VanDerWaalsContact C-N 3.32Å; L218-H220 PolarHBondContact O-N 3.35Å; L218-I221 PolarHBondContact O-N 3.17Å; L218-L222 HydrophobicContact CD1-CD1 3.88Å; L218-L222 HydrophobicContact CD1-CD2 4.44Å; L218-L222 HydrophobicContact CD1-CG 3.95Å; L218-L222 HydrophobicContact CD2-CD1 4.48Å; L218-L222 HydrophobicContact CG-CD1 3.82Å; L218-L222 HydrophobicContact CG-CG 4.26Å; L218-L222 WeakPolarHBondContact O-CB 3.34Å; L218-L222 VanDerWaalsContact O-CG 3.24Å; L218-L222 WeakPolarHBondContact O-CG 3.33Å; L218-L222 PolarHBondContact O-N 3.31Å; L218-W242 HydrophobicContact CD2-CB 4.43Å; L218-W242 HydrophobicContact CD2-CD2 3.55Å; L218-W242 HydrophobicContact CD2-CE3 3.89Å; L218-W242 HydrophobicContact CD2-CG 3.8Å; L218-W242 HydrophobicContact CD2-CZ2 4.29Å; L218-W242 HydrophobicContact CD2-CZ3 4.4Å; L218-V257 HydrophobicContact CD2-CG1 3.91Å; L218-V257 HydrophobicContact CG-CG1 4.29Å
219	H	91.4	Very high	88.3	Confident	28 Å²	28	43.2 Å²	43.2	13%	0.13	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-46.4	175.5	178.3	100.4	0	0	0	111.2	V215 T217 I221 L222 K223 Y256 N260	V215-H219 WeakPolarHBondContact O-CB 3.28Å; V215-H219 PolarHBondContact O-N 3.2Å; T217-H219 PolarHBondContact O-N 3.33Å; H219-I221 PolarHBondContact O-N 3.34Å; H219-L222 PolarHBondContact O-N 3.37Å; H219-K223 VanDerWaalsContact O-CB 3.29Å; H219-K223 WeakPolarHBondContact O-CB 3.32Å; H219-K223 PolarHBondContact O-N 3.09Å; H219-Y256 HydrophobicContact CB-CE1 3.81Å; H219-Y256 PolarHBondContact CD2-OH 2.95Å; H219-Y256 AromaticContact CE1-CE2 3.46Å; H219-Y256 VanDerWaalsContact CE1-CE2 3.46Å; H219-Y256 WeakPolarHBondContact CE1-CE2 3.47Å; H219-Y256 AromaticContact CE1-CZ 3.43Å; H219-Y256 VanDerWaalsContact CE1-CZ 3.43Å; H219-Y256 PolarHBondContact CE1-OH 2.8Å; H219-Y256 AromaticContact CG-CE1 3.63Å; H219-Y256 AromaticContact CG-CZ 3.57Å; H219-Y256 AromaticContact ND1-CD1 3.84Å; H219-Y256 AromaticContact ND1-CE1 3.32Å; H219-Y256 VanDerWaalsContact ND1-CE1 3.32Å; H219-Y256 WeakPolarHBondContact ND1-CE1 3.37Å; H219-Y256 AromaticContact ND1-CE2 3.52Å; H219-Y256 AromaticContact ND1-CZ 3.14Å; H219-Y256 PolarHBondContact ND1-O 3.02Å; H219-Y256 PolarHBondContact ND1-OH 3.43Å; H219-Y256 AromaticContact NE2-CZ 3.95Å; H219-N260 PolarHBondContact CE1-ND2 3.27Å; H219-N260 PolarHBondContact ND1-ND2 3.21Å
220	H	90.1	Very high	88.5	Confident	101 Å²	101	43 Å²	43	47%	0.468	22%	0.219	S	C	.	.	H	α-helix	trans	-61.4	-43.1	178.1	-174.5	70.9	0	0	0	113.1	D216 T217 L218	D216-H220 WeakPolarHBondContact O-CB 3.24Å; D216-H220 PolarHBondContact O-N 3.24Å; T217-H220 PolarHBondContact O-N 2.94Å; L218-H220 VanDerWaalsContact C-N 3.32Å; L218-H220 PolarHBondContact O-N 3.35Å
221	I	90.5	Very high	88.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-48.3	178.5	-68.2	159.2	0	0	0	110.4	I197 I198 F201 L213 T217 L218 H219 K223 S224 L227	I197-I221 HydrophobicContact CB-CD1 4.44Å; I197-I221 HydrophobicContact CD1-CD1 4.26Å; I197-I221 HydrophobicContact CG2-CD1 3.82Å; I197-I221 HydrophobicContact CG2-CG1 4.45Å; I197-I221 HydrophobicContact CG2-CG2 4.21Å; I198-I221 HydrophobicContact CG1-CG2 4.18Å; F201-I221 HydrophobicContact CD2-CG2 4.35Å; F201-I221 HydrophobicContact CE2-CG2 4.27Å; L213-I221 HydrophobicContact CD2-CD1 4.09Å; T217-I221 HydrophobicContact CG2-CD1 3.77Å; T217-I221 HydrophobicContact CG2-CG1 4.38Å; T217-I221 WeakPolarHBondContact O-CD1 3.2Å; T217-I221 VanDerWaalsContact O-CG1 3.27Å; T217-I221 WeakPolarHBondContact O-CG1 3.46Å; T217-I221 PolarHBondContact O-N 3.46Å; L218-I221 PolarHBondContact O-N 3.17Å; H219-I221 PolarHBondContact O-N 3.34Å; I221-K223 VanDerWaalsContact C-N 3.29Å; I221-K223 PolarHBondContact O-N 2.96Å; I221-S224 WeakPolarHBondContact O-CB 3.15Å; I221-S224 PolarHBondContact O-N 2.88Å; I221-S224 VanDerWaalsContact O-N 3.16Å; I221-L227 HydrophobicContact CG2-CD1 3.78Å
222	L	91.8	Very high	88.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.2	-29.7	-176.8	-67.7	179.7	0	0	0	113.2	F201 L218 H219 S224 L227 V235 V239 V257 N260 R312	F201-L222 HydrophobicContact CE2-CD2 4.44Å; F201-L222 HydrophobicContact CZ-CD2 4.06Å; L218-L222 HydrophobicContact CD1-CD1 3.88Å; L218-L222 HydrophobicContact CD1-CD2 4.44Å; L218-L222 HydrophobicContact CD1-CG 3.95Å; L218-L222 HydrophobicContact CD2-CD1 4.48Å; L218-L222 HydrophobicContact CG-CD1 3.82Å; L218-L222 HydrophobicContact CG-CG 4.26Å; L218-L222 WeakPolarHBondContact O-CB 3.34Å; L218-L222 VanDerWaalsContact O-CG 3.24Å; L218-L222 WeakPolarHBondContact O-CG 3.33Å; L218-L222 PolarHBondContact O-N 3.31Å; H219-L222 PolarHBondContact O-N 3.37Å; L222-S224 PolarHBondContact O-N 3.41Å; L222-L227 HydrophobicContact CD2-CD2 4.32Å; L222-V235 HydrophobicContact CD2-CG1 3.55Å; L222-V239 HydrophobicContact CD1-CG2 3.48Å; L222-V239 VanDerWaalsContact CD1-CG2 3.48Å; L222-V257 HydrophobicContact CD1-CG1 3.55Å; L222-N260 HydrophobicContact CB-CB 3.68Å; L222-R312 PolarHBondContact O-NH1 3.1Å; L222-R312 PolarHBondContact O-NH2 3.23Å; L222-R312 VanDerWaalsContact O-NH2 3.16Å
223	K	91.4	Very high	89.1	Confident	140 Å²	140	44.4 Å²	44.4	61%	0.609	23%	0.225	S	C	*	.	H	α-helix	trans	-67.1	-24.9	175.6	-172.7	172.2	-179.3	174	0	112.9	H219 I221	H219-K223 VanDerWaalsContact O-CB 3.29Å; H219-K223 WeakPolarHBondContact O-CB 3.32Å; H219-K223 PolarHBondContact O-N 3.09Å; I221-K223 VanDerWaalsContact C-N 3.29Å; I221-K223 PolarHBondContact O-N 2.96Å
224	S	90.3	Very high	89.3	Confident	26 Å²	26	46.3 Å²	46.3	18%	0.182	23%	0.234	C	C	.	.			trans	-67.1	132.5	-176	-173.5	0	0	0	0	113	I221 L222 D226 R312	I221-S224 WeakPolarHBondContact O-CB 3.15Å; I221-S224 PolarHBondContact O-N 2.88Å; I221-S224 VanDerWaalsContact O-N 3.16Å; L222-S224 PolarHBondContact O-N 3.41Å; S224-D226 VanDerWaalsContact C-N 3.26Å; S224-D226 PolarHBondContact O-N 3.31Å; S224-D226 PolarHBondContact OG-N 3.5Å; S224-R312 PolarHBondContact O-NH1 3.32Å
225	D	87.3	Confident	89.5	Confident	40 Å²	40	43.9 Å²	43.9	21%	0.214	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.9	171.7	-75.9	-46.1	0	0	0	113.1	L227 R262 K310 M313	D225-L227 PolarHBondContact O-N 2.93Å; D225-R262 IonicContact OD1-CZ 2.64Å; D225-R262 IonicContact OD1-NH1 2.74Å; D225-R262 PolarHBondContact OD1-NH1 3.46Å; D225-R262 IonicContact OD1-NH2 3.96Å; D225-R262 PolarHBondContact OD1-NH2 3.43Å; D225-K310 IonicContact OD1-NZ 3.13Å; D225-K310 IonicContact OD2-NZ 2.61Å; D225-K310 PolarHBondContact OD2-NZ 2.67Å; D225-M313 WeakPolarHBondContact O-CB 3.4Å; D225-M313 PolarHBondContact O-N 3.44Å
226	D	87.9	Confident	89.6	Confident	83 Å²	83	42.8 Å²	42.8	44%	0.444	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	1.8	-176.2	-64.1	-43.6	0	0	0	113.2	I198 S224 Y228 H314	I198-D226 VanDerWaalsContact CG2-C 3.48Å; I198-D226 HydrophobicContact CG2-CB 4.02Å; I198-D226 VanDerWaalsContact CG2-O 3.22Å; I198-D226 WeakPolarHBondContact CG2-O 3.48Å; S224-D226 VanDerWaalsContact C-N 3.26Å; S224-D226 PolarHBondContact O-N 3.31Å; S224-D226 PolarHBondContact OG-N 3.5Å; D226-Y228 PolarHBondContact O-N 3.2Å; D226-H314 PolarHBondContact O-CD2 3.33Å
227	L	89.8	Confident	89.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.			trans	-55.5	122.3	178	-169.6	70.7	0	0	0	110.3	F201 I221 L222 D225 V229 V235	F201-L227 HydrophobicContact CB-CD1 3.91Å; F201-L227 HydrophobicContact CB-CG 4.45Å; F201-L227 HydrophobicContact CD1-CD1 4.22Å; F201-L227 HydrophobicContact CD1-CD2 4.3Å; F201-L227 HydrophobicContact CD1-CG 4.28Å; F201-L227 HydrophobicContact CD2-CD1 3.56Å; F201-L227 HydrophobicContact CD2-CG 4.45Å; F201-L227 HydrophobicContact CE1-CD2 4.17Å; F201-L227 HydrophobicContact CE2-CD1 4.04Å; F201-L227 HydrophobicContact CG-CD1 3.63Å; F201-L227 HydrophobicContact CG-CG 4.16Å; F201-L227 HydrophobicContact CZ-CD2 4.3Å; I221-L227 HydrophobicContact CG2-CD1 3.78Å; L222-L227 HydrophobicContact CD2-CD2 4.32Å; D225-L227 PolarHBondContact O-N 2.93Å; L227-V229 VanDerWaalsContact C-N 3.35Å; L227-V229 HydrophobicContact CD2-CG1 4.15Å; L227-V229 HydrophobicContact CD2-CG2 4.3Å; L227-V229 HydrophobicContact CG-CG1 4.17Å; L227-V229 HydrophobicContact CG-CG2 4.41Å; L227-V229 PolarHBondContact O-N 3.11Å; L227-V235 HydrophobicContact CD2-CG2 3.96Å
228	Y	88.1	Confident	89.8	Confident	112 Å²	112	42.4 Å²	42.4	44%	0.439	21%	0.206	S	C	.	.			trans	-78.3	85.6	-177.9	-166.2	-88.4	0	0	0	110.1	I198 Q199 V202 D226 H314	I198-Y228 VanDerWaalsContact O-CB 3.29Å; I198-Y228 WeakPolarHBondContact O-CB 3.32Å; I198-Y228 PolarHBondContact O-N 2.97Å; Q199-Y228 VanDerWaalsContact O-CB 3.3Å; Q199-Y228 WeakPolarHBondContact O-CB 3.29Å; V202-Y228 HydrophobicContact CG2-CD1 4.42Å; V202-Y228 WeakPolarHBondContact CG2-O 3.45Å; D226-Y228 PolarHBondContact O-N 3.2Å; Y228-H314 HydrophobicContact CD2-CB 4.09Å; Y228-H314 AromaticContact CD2-CD2 3.77Å; Y228-H314 AromaticContact CD2-CE1 3.89Å; Y228-H314 AromaticContact CD2-CG 3.55Å; Y228-H314 AromaticContact CD2-ND1 3.64Å; Y228-H314 AromaticContact CD2-NE2 3.98Å; Y228-H314 HydrophobicContact CE2-CB 4.47Å; Y228-H314 AromaticContact CE2-ND1 3.78Å
229	V	86.3	Confident	89.9	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	21%	0.206	C	C	.	.			trans	-135.1	146.4	174.5	-70.6	0	0	0	0	110.2	F201 L227 V235 H314 E315	F201-V229 HydrophobicContact CD1-CG1 3.4Å; F201-V229 HydrophobicContact CE1-CG1 3.86Å; F201-V229 HydrophobicContact CG-CG1 4.38Å; L227-V229 VanDerWaalsContact C-N 3.35Å; L227-V229 HydrophobicContact CD2-CG1 4.15Å; L227-V229 HydrophobicContact CD2-CG2 4.3Å; L227-V229 HydrophobicContact CG-CG1 4.17Å; L227-V229 HydrophobicContact CG-CG2 4.41Å; L227-V229 PolarHBondContact O-N 3.11Å; V229-V235 HydrophobicContact CB-CG2 4.21Å; V229-V235 HydrophobicContact CG1-CG2 3.86Å; V229-V235 HydrophobicContact CG2-CG2 3.85Å; V229-H314 CarbonylContact O-C 3.6Å; V229-E315 PolarHBondContact O-N 3.3Å
230	T	83.5	Confident	89.9	Confident	67 Å²	67	41.1 Å²	41.1	41%	0.411	20%	0.2	S	C	.	.	S	Bend	trans	-90.3	-29.7	178.7	51.8	0	0	0	0	112.1	Q234	T230-Q234 PolarHBondContact OG1-NE2 3.33Å; T230-Q234 PolarHBondContact OG1-OE1 3.27Å
231	E	86	Confident	90	Very high	120 Å²	120	39.1 Å²	39.1	56%	0.561	20%	0.198	S	C	*	.			trans	-143	142	-176.9	-62	-178.4	175.5	0	0	110.1	A233 Q234	E231-A233 PolarHBondContact O-N 3.18Å; E231-Q234 WeakPolarHBondContact O-CB 3.36Å; E231-Q234 PolarHBondContact O-N 3.44Å
232	E	90.8	Very high	90.1	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-68.2	-18.4	179.3	-162.1	68.8	-174.4	0	0	112.6	Q234 V235 F236 V261 R262 L265 L266 R312	E232-Q234 PolarHBondContact O-N 3.44Å; E232-V235 WeakPolarHBondContact O-CB 3.42Å; E232-V235 PolarHBondContact O-N 3.07Å; E232-V235 VanDerWaalsContact O-N 3.08Å; E232-F236 PolarHBondContact O-N 2.82Å; E232-V261 HydrophobicContact CG-CG1 4.06Å; E232-R262 HydrophobicContact CG-CB 3.8Å; E232-R262 WeakPolarHBondContact OE1-CG 3.4Å; E232-R262 PolarHBondContact OE1-N 2.64Å; E232-L265 HydrophobicContact CB-CB 4.5Å; E232-L266 HydrophobicContact CB-CD2 3.92Å; E232-L266 HydrophobicContact CG-CD2 4.4Å; E232-R312 IonicContact OE1-CZ 2.67Å; E232-R312 IonicContact OE1-NE 3.58Å; E232-R312 PolarHBondContact OE1-NE 3Å; E232-R312 IonicContact OE1-NH2 3.67Å; E232-R312 PolarHBondContact OE1-NH2 3.46Å; E232-R312 WeakPolarHBondContact OE2-CD 3.35Å; E232-R312 IonicContact OE2-CZ 2.78Å; E232-R312 IonicContact OE2-NE 3.84Å; E232-R312 PolarHBondContact OE2-NE 3.02Å; E232-R312 IonicContact OE2-NH2 3.75Å
233	A	91.3	Very high	90.1	Very high	14 Å²	14	39.3 Å²	39.3	12%	0.116	20%	0.198	C	C	.	.	H	α-helix	trans	-57.3	-38.6	173.6	0	0	0	0	0	111.7	E231 V235 F236 E237 L266 Y270	E231-A233 PolarHBondContact O-N 3.18Å; A233-V235 VanDerWaalsContact C-N 3.31Å; A233-V235 PolarHBondContact O-N 2.83Å; A233-F236 PolarHBondContact O-N 3.42Å; A233-E237 WeakPolarHBondContact O-CG 3.24Å; A233-E237 PolarHBondContact O-N 2.69Å; A233-L266 HydrophobicContact CB-CD2 4.04Å; A233-L266 VanDerWaalsContact N-CD2 3.28Å; A233-Y270 HydrophobicContact CB-CD1 4.42Å; A233-Y270 HydrophobicContact CB-CE1 3.96Å; A233-Y270 HydrophobicContact CB-CE2 4.32Å
234	Q	90.6	Very high	90.2	Very high	40 Å²	40	38.8 Å²	38.8	19%	0.187	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-41.8	176.1	-64.1	172.3	-32.5	0	0	111.2	L205 T230 E231 E232 T238	L205-Q234 HydrophobicContact CD1-CB 4.3Å; T230-Q234 PolarHBondContact OG1-NE2 3.33Å; T230-Q234 PolarHBondContact OG1-OE1 3.27Å; E231-Q234 WeakPolarHBondContact O-CB 3.36Å; E231-Q234 PolarHBondContact O-N 3.44Å; E232-Q234 PolarHBondContact O-N 3.44Å; Q234-T238 WeakPolarHBondContact O-CB 3.43Å; Q234-T238 PolarHBondContact O-N 2.85Å; Q234-T238 VanDerWaalsContact O-N 3.09Å; Q234-T238 PolarHBondContact O-OG1 3.37Å
235	V	92.4	Very high	90.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-44.9	178.2	-173.3	0	0	0	0	110.6	L222 L227 V229 E232 A233 T238 V239 V261	L222-V235 HydrophobicContact CD2-CG1 3.55Å; L227-V235 HydrophobicContact CD2-CG2 3.96Å; V229-V235 HydrophobicContact CB-CG2 4.21Å; V229-V235 HydrophobicContact CG1-CG2 3.86Å; V229-V235 HydrophobicContact CG2-CG2 3.85Å; E232-V235 WeakPolarHBondContact O-CB 3.42Å; E232-V235 PolarHBondContact O-N 3.07Å; E232-V235 VanDerWaalsContact O-N 3.08Å; A233-V235 VanDerWaalsContact C-N 3.31Å; A233-V235 PolarHBondContact O-N 2.83Å; V235-T238 WeakPolarHBondContact O-CB 3.45Å; V235-T238 PolarHBondContact O-N 3.34Å; V235-V239 WeakPolarHBondContact O-CG2 3.15Å; V235-V239 PolarHBondContact O-N 3.16Å; V235-V261 HydrophobicContact CG1-CG2 4.18Å
236	F	93.8	Very high	90.4	Very high	3 Å²	3	43.5 Å²	43.5	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-49.8	177.4	175.7	-100.2	0	0	0	112.1	E232 A233 T238 V239 M240 L258 V261 L263 Y270 T274 V275 I281	E232-F236 PolarHBondContact O-N 2.82Å; A233-F236 PolarHBondContact O-N 3.42Å; F236-T238 PolarHBondContact O-N 2.92Å; F236-V239 PolarHBondContact O-N 3.24Å; F236-M240 HydrophobicContact CD1-CG 4.27Å; F236-M240 HydrophobicContact CD2-CG 4.33Å; F236-M240 HydrophobicContact CE1-CG 3.77Å; F236-M240 HydrophobicContact CE2-CG 3.83Å; F236-M240 HydrophobicContact CE2-SD 4.12Å; F236-M240 HydrophobicContact CZ-CG 3.52Å; F236-M240 HydrophobicContact CZ-SD 4.05Å; F236-M240 WeakPolarHBondContact O-CG 3.34Å; F236-M240 PolarHBondContact O-N 3.46Å; F236-L258 HydrophobicContact CD2-CD1 3.97Å; F236-L258 HydrophobicContact CE2-CD1 4Å; F236-V261 HydrophobicContact CB-CG1 4.06Å; F236-V261 HydrophobicContact CD2-CG1 4.48Å; F236-L263 HydrophobicContact CD2-CD2 4.18Å; F236-Y270 HydrophobicContact CD1-CE1 4.12Å; F236-T274 HydrophobicContact CE1-CG2 4.24Å; F236-V275 HydrophobicContact CD1-CG2 4.14Å; F236-V275 HydrophobicContact CD2-CG2 4.27Å; F236-V275 HydrophobicContact CE1-CG2 3.83Å; F236-V275 HydrophobicContact CE2-CB 4.33Å; F236-V275 HydrophobicContact CE2-CG1 3.78Å; F236-V275 HydrophobicContact CE2-CG2 3.97Å; F236-V275 HydrophobicContact CG-CG2 4.34Å; F236-V275 HydrophobicContact CZ-CB 4.06Å; F236-V275 HydrophobicContact CZ-CG1 3.93Å; F236-V275 HydrophobicContact CZ-CG2 3.74Å; F236-I281 HydrophobicContact CE2-CD1 3.63Å; F236-I281 HydrophobicContact CZ-CD1 3.59Å
237	E	91.6	Very high	90.5	Very high	100 Å²	100	42 Å²	42	47%	0.467	20%	0.204	S	C	.	.	H	α-helix	trans	-58.4	-38.6	178.6	-73.2	171.3	-176.1	0	0	111.9	A233 M240 S241 Y270	A233-E237 WeakPolarHBondContact O-CG 3.24Å; A233-E237 PolarHBondContact O-N 2.69Å; E237-M240 PolarHBondContact O-N 2.87Å; E237-S241 WeakPolarHBondContact O-CB 3.45Å; E237-S241 PolarHBondContact O-N 2.63Å; E237-Y270 VanDerWaalsContact CG-OH 3.24Å; E237-Y270 WeakPolarHBondContact CG-OH 3.39Å; E237-Y270 PolarHBondContact OE1-OH 3.31Å
238	T	89.8	Confident	90.5	Very high	10 Å²	10	47.6 Å²	47.6	6%	0.061	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-48.7	177.4	-56.5	0	0	0	0	112.1	F201 L205 F210 Q234 V235 F236 M240 S241 W242	F201-T238 HydrophobicContact CE1-CG2 4.43Å; F201-T238 HydrophobicContact CZ-CG2 3.79Å; L205-T238 HydrophobicContact CD2-CG2 3.56Å; L205-T238 WeakPolarHBondContact CD2-OG1 3.41Å; F210-T238 HydrophobicContact CD1-CG2 4.05Å; F210-T238 HydrophobicContact CE1-CG2 3.14Å; F210-T238 HydrophobicContact CE2-CG2 4.43Å; F210-T238 HydrophobicContact CZ-CG2 3.36Å; Q234-T238 WeakPolarHBondContact O-CB 3.43Å; Q234-T238 PolarHBondContact O-N 2.85Å; Q234-T238 VanDerWaalsContact O-N 3.09Å; Q234-T238 PolarHBondContact O-OG1 3.37Å; V235-T238 WeakPolarHBondContact O-CB 3.45Å; V235-T238 PolarHBondContact O-N 3.34Å; F236-T238 PolarHBondContact O-N 2.92Å; T238-M240 VanDerWaalsContact C-N 3.3Å; T238-M240 PolarHBondContact O-N 3.2Å; T238-S241 PolarHBondContact O-N 3.16Å; T238-W242 PolarHBondContact O-N 3.37Å
239	V	92.4	Very high	90.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-43.8	176.4	171	0	0	0	0	110.3	L222 V235 F236 W242 V243 L254 V257 V261	L222-V239 HydrophobicContact CD1-CG2 3.48Å; L222-V239 VanDerWaalsContact CD1-CG2 3.48Å; V235-V239 WeakPolarHBondContact O-CG2 3.15Å; V235-V239 PolarHBondContact O-N 3.16Å; F236-V239 PolarHBondContact O-N 3.24Å; V239-W242 PolarHBondContact O-N 3.4Å; V239-V243 WeakPolarHBondContact O-CG2 3.46Å; V239-V243 PolarHBondContact O-N 3.42Å; V239-L254 HydrophobicContact CG1-CD1 4.42Å; V239-V257 HydrophobicContact CB-CG1 4.32Å; V239-V257 HydrophobicContact CG1-CB 4.26Å; V239-V257 HydrophobicContact CG1-CG1 3.64Å; V239-V257 HydrophobicContact CG2-CG1 3.73Å; V239-V261 HydrophobicContact CB-CG2 4.5Å; V239-V261 HydrophobicContact CG2-CG2 3.84Å
240	M	92.9	Very high	90.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-38.1	179.7	-66.8	-54.8	-64.7	0	0	112.5	F236 E237 T238 V243 R244 L254 D278 L280 I281	F236-M240 HydrophobicContact CD1-CG 4.27Å; F236-M240 HydrophobicContact CD2-CG 4.33Å; F236-M240 HydrophobicContact CE1-CG 3.77Å; F236-M240 HydrophobicContact CE2-CG 3.83Å; F236-M240 HydrophobicContact CE2-SD 4.12Å; F236-M240 HydrophobicContact CZ-CG 3.52Å; F236-M240 HydrophobicContact CZ-SD 4.05Å; F236-M240 WeakPolarHBondContact O-CG 3.34Å; F236-M240 PolarHBondContact O-N 3.46Å; E237-M240 PolarHBondContact O-N 2.87Å; T238-M240 VanDerWaalsContact C-N 3.3Å; T238-M240 PolarHBondContact O-N 3.2Å; M240-V243 PolarHBondContact O-N 2.95Å; M240-R244 VanDerWaalsContact O-CB 3.32Å; M240-R244 WeakPolarHBondContact O-CB 3.35Å; M240-R244 WeakPolarHBondContact O-CG 3.32Å; M240-R244 PolarHBondContact O-N 3.3Å; M240-L254 HydrophobicContact SD-CD1 4.11Å; M240-D278 WeakPolarHBondContact CE-OD1 3.43Å; M240-D278 WeakPolarHBondContact CE-OD2 3.36Å; M240-L280 HydrophobicContact CE-CB 4.23Å; M240-L280 HydrophobicContact CE-CD1 3.94Å; M240-I281 HydrophobicContact CE-CG1 4.38Å; M240-I281 HydrophobicContact SD-CD1 4.27Å; M240-I281 HydrophobicContact SD-CG1 4.43Å
241	S	91.3	Very high	91.1	Very high	59 Å²	59	48.5 Å²	48.5	41%	0.413	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-45.3	173.4	-169.6	0	0	0	0	111.4	E237 T238 V243 R244 H245	E237-S241 WeakPolarHBondContact O-CB 3.45Å; E237-S241 PolarHBondContact O-N 2.63Å; T238-S241 PolarHBondContact O-N 3.16Å; S241-V243 PolarHBondContact O-N 2.81Å; S241-R244 PolarHBondContact O-N 2.78Å; S241-H245 PolarHBondContact O-N 3.21Å; S241-H245 VanDerWaalsContact O-N 3.1Å
242	W	92.5	Very high	91.4	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-45.3	175.9	-177.9	91.4	0	0	0	111.9	L213 V215 L218 T238 V239 H245 R250 L253 V257	L213-W242 PolarHBondContact O-NE1 2.96Å; V215-W242 HydrophobicContact CB-CH2 3.85Å; V215-W242 HydrophobicContact CB-CZ2 4.08Å; V215-W242 HydrophobicContact CG2-CH2 3.89Å; L218-W242 HydrophobicContact CD2-CB 4.43Å; L218-W242 HydrophobicContact CD2-CD2 3.55Å; L218-W242 HydrophobicContact CD2-CE3 3.89Å; L218-W242 HydrophobicContact CD2-CG 3.8Å; L218-W242 HydrophobicContact CD2-CZ2 4.29Å; L218-W242 HydrophobicContact CD2-CZ3 4.4Å; T238-W242 PolarHBondContact O-N 3.37Å; V239-W242 PolarHBondContact O-N 3.4Å; W242-H245 PolarHBondContact O-N 3Å; W242-R250 HydrophobicContact CE3-CB 4.45Å; W242-R250 HydrophobicContact CE3-CG 4.33Å; W242-R250 HydrophobicContact CH2-CB 4.34Å; W242-R250 HydrophobicContact CH2-CG 3.77Å; W242-R250 HydrophobicContact CZ2-CG 4.27Å; W242-R250 HydrophobicContact CZ3-CB 3.94Å; W242-R250 HydrophobicContact CZ3-CG 3.82Å; W242-R250 VanDerWaalsContact NE1-CZ 3.32Å; W242-R250 WeakPolarHBondContact O-CD 3.25Å; W242-R250 PolarHBondContact O-NH1 3.28Å; W242-L253 HydrophobicContact CH2-CD1 4.27Å; W242-V257 HydrophobicContact CZ3-CG2 4.12Å
243	V	92.7	Very high	91.4	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-42.5	177.5	174.8	0	0	0	0	111.7	V239 M240 S241 H245 K246 P247 R250 L251 L254 L280	V239-V243 WeakPolarHBondContact O-CG2 3.46Å; V239-V243 PolarHBondContact O-N 3.42Å; M240-V243 PolarHBondContact O-N 2.95Å; S241-V243 PolarHBondContact O-N 2.81Å; V243-H245 VanDerWaalsContact C-N 3.26Å; V243-H245 PolarHBondContact O-N 3.17Å; V243-K246 CarbonylContact O-C 3.56Å; V243-K246 PolarHBondContact O-N 3.16Å; V243-P247 WeakPolarHBondContact O-CA 3.49Å; V243-R250 HydrophobicContact CB-CB 4.44Å; V243-R250 HydrophobicContact CG1-CB 4.22Å; V243-R250 HydrophobicContact CG2-CB 4.4Å; V243-L251 HydrophobicContact CG1-CD2 4.48Å; V243-L254 HydrophobicContact CG2-CB 4.48Å; V243-L254 HydrophobicContact CG2-CD1 3.96Å; V243-L280 HydrophobicContact CG1-CD1 4.43Å
244	R	92.6	Very high	91.5	Very high	130 Å²	130	49.3 Å²	49.3	49%	0.491	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-24.5	-179.7	-74	173.5	-170.5	140.4	-2.6	113.7	M240 S241 P247 D278 L280	M240-R244 VanDerWaalsContact O-CB 3.32Å; M240-R244 WeakPolarHBondContact O-CB 3.35Å; M240-R244 WeakPolarHBondContact O-CG 3.32Å; M240-R244 PolarHBondContact O-N 3.3Å; S241-R244 PolarHBondContact O-N 2.78Å; R244-P247 WeakPolarHBondContact O-CD 3.42Å; R244-D278 IonicContact CZ-OD2 3.7Å; R244-D278 IonicContact NH2-OD2 2.79Å; R244-D278 PolarHBondContact NH2-OD2 2.84Å; R244-L280 HydrophobicContact CG-CD1 3.75Å
245	H	91.3	Very high	91.6	Very high	89 Å²	89	48.3 Å²	48.3	41%	0.412	26%	0.257	S	S	.	.	H	α-helix	trans	-66.3	-36.9	177.6	-176	75	0	0	0	112.9	L211 S241 W242 V243	L211-H245 HydrophobicContact CB-CB 4.28Å; L211-H245 HydrophobicContact CD1-CB 4.41Å; L211-H245 HydrophobicContact CD2-CB 4.38Å; S241-H245 PolarHBondContact O-N 3.21Å; S241-H245 VanDerWaalsContact O-N 3.1Å; W242-H245 PolarHBondContact O-N 3Å; V243-H245 VanDerWaalsContact C-N 3.26Å; V243-H245 PolarHBondContact O-N 3.17Å
246	K	91.5	Very high	91.6	Very high	75 Å²	75	53 Å²	53	33%	0.326	28%	0.275	S	S	.	.	S	Bend	trans	-135.5	69.9	177.9	-70.8	170.4	-178.5	159.4	0	110.6	D212 V243 S248 E249 R250	D212-K246 IonicContact OD1-NZ 2.76Å; D212-K246 PolarHBondContact OD1-NZ 2.87Å; V243-K246 CarbonylContact O-C 3.56Å; V243-K246 PolarHBondContact O-N 3.16Å; K246-S248 VanDerWaalsContact C-N 3.33Å; K246-S248 PolarHBondContact O-N 2.83Å; K246-E249 PolarHBondContact O-N 3.44Å; K246-R250 HydrophobicContact CB-CG 4.13Å; K246-R250 VanDerWaalsContact O-CB 3.27Å; K246-R250 WeakPolarHBondContact O-CB 3.42Å; K246-R250 WeakPolarHBondContact O-CG 3.49Å; K246-R250 PolarHBondContact O-N 2.87Å
247	P	89.6	Confident	91.5	Very high	53 Å²	53	52.8 Å²	52.8	34%	0.344	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-36.9	-168.1	25.4	-33.3	0	0	0	112.5	V243 R244 E249 L251	V243-P247 WeakPolarHBondContact O-CA 3.49Å; R244-P247 WeakPolarHBondContact O-CD 3.42Å; P247-E249 VanDerWaalsContact C-N 3.27Å; P247-E249 PolarHBondContact O-N 3.39Å; P247-L251 VanDerWaalsContact O-CB 3.28Å; P247-L251 WeakPolarHBondContact O-CB 3.32Å; P247-L251 WeakPolarHBondContact O-CD1 3.29Å; P247-L251 WeakPolarHBondContact O-CG 3.42Å; P247-L251 PolarHBondContact O-N 3.4Å; P247-L251 VanDerWaalsContact O-N 3.13Å
248	S	88.9	Confident	91.6	Very high	116 Å²	116	48 Å²	48	81%	0.811	25%	0.252	S	S	*	.	H	α-helix	trans	-58.3	-37.1	-178	-33.4	0	0	0	0	113.3	K246	K246-S248 VanDerWaalsContact C-N 3.33Å; K246-S248 PolarHBondContact O-N 2.83Å
249	E	90.1	Very high	91.8	Very high	137 Å²	137	52.7 Å²	52.7	64%	0.64	27%	0.273	S	S	*	.	H	α-helix	trans	-99.7	-30	-176.2	-65.6	174	-171.7	0	0	112.3	K246 P247 C252	K246-E249 PolarHBondContact O-N 3.44Å; P247-E249 VanDerWaalsContact C-N 3.27Å; P247-E249 PolarHBondContact O-N 3.39Å; E249-C252 PolarHBondContact O-SG 3.14Å
250	R	92.2	Very high	91.8	Very high	16 Å²	16	53.6 Å²	53.6	6%	0.06	28%	0.278	C	S	.	.	H	α-helix	trans	-94.7	-16	-170.8	-64.4	179.6	173.7	173.8	-5.1	114.2	L211 W242 V243 K246 C252 L253 L254	L211-R250 VanDerWaalsContact O-CZ 3.24Å; L211-R250 PolarHBondContact O-NH1 3.19Å; L211-R250 PolarHBondContact O-NH2 3.07Å; W242-R250 HydrophobicContact CE3-CB 4.45Å; W242-R250 HydrophobicContact CE3-CG 4.33Å; W242-R250 HydrophobicContact CH2-CB 4.34Å; W242-R250 HydrophobicContact CH2-CG 3.77Å; W242-R250 HydrophobicContact CZ2-CG 4.27Å; W242-R250 HydrophobicContact CZ3-CB 3.94Å; W242-R250 HydrophobicContact CZ3-CG 3.82Å; W242-R250 VanDerWaalsContact NE1-CZ 3.32Å; W242-R250 WeakPolarHBondContact O-CD 3.25Å; W242-R250 PolarHBondContact O-NH1 3.28Å; V243-R250 HydrophobicContact CB-CB 4.44Å; V243-R250 HydrophobicContact CG1-CB 4.22Å; V243-R250 HydrophobicContact CG2-CB 4.4Å; K246-R250 HydrophobicContact CB-CG 4.13Å; K246-R250 VanDerWaalsContact O-CB 3.27Å; K246-R250 WeakPolarHBondContact O-CB 3.42Å; K246-R250 WeakPolarHBondContact O-CG 3.49Å; K246-R250 PolarHBondContact O-N 2.87Å; R250-C252 VanDerWaalsContact C-N 3.29Å; R250-C252 PolarHBondContact O-N 2.9Å; R250-L253 CarbonylContact O-C 3.47Å; R250-L253 PolarHBondContact O-N 2.96Å; R250-L254 PolarHBondContact O-N 3.17Å; R250-L254 VanDerWaalsContact O-N 3.09Å
251	L	89.3	Confident	91.9	Very high	48 Å²	48	53.5 Å²	53.5	25%	0.251	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-58.2	-39.9	177.7	-89	172.6	0	0	0	112.8	V243 P247 L253 L254 L280	V243-L251 HydrophobicContact CG1-CD2 4.48Å; P247-L251 VanDerWaalsContact O-CB 3.28Å; P247-L251 WeakPolarHBondContact O-CB 3.32Å; P247-L251 WeakPolarHBondContact O-CD1 3.29Å; P247-L251 WeakPolarHBondContact O-CG 3.42Å; P247-L251 PolarHBondContact O-N 3.4Å; P247-L251 VanDerWaalsContact O-N 3.13Å; L251-L253 PolarHBondContact O-N 3.28Å; L251-L254 WeakPolarHBondContact O-CB 3.45Å; L251-L254 PolarHBondContact O-N 3.48Å; L251-L280 HydrophobicContact CD2-CB 4.13Å; L251-L280 HydrophobicContact CD2-CD2 3.87Å; L251-L280 HydrophobicContact CD2-CG 4.46Å
252	C	91.1	Very high	92	Very high	96 Å²	96	51.3 Å²	51.3	65%	0.649	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-71.2	-20	176.3	61.2	0	0	0	0	113.3	E249 R250	E249-C252 PolarHBondContact O-SG 3.14Å; R250-C252 VanDerWaalsContact C-N 3.29Å; R250-C252 PolarHBondContact O-N 2.9Å
253	L	92.2	Very high	92	Very high	58 Å²	58	51.1 Å²	51.1	30%	0.304	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-91.9	-10.5	178.7	-58.6	173.8	0	0	0	112.5	V215 W242 R250 L251 Y256 V257	V215-L253 HydrophobicContact CB-CD1 4.15Å; V215-L253 HydrophobicContact CG1-CD1 4.24Å; V215-L253 HydrophobicContact CG2-CB 4.32Å; V215-L253 HydrophobicContact CG2-CD1 4.12Å; W242-L253 HydrophobicContact CH2-CD1 4.27Å; R250-L253 CarbonylContact O-C 3.47Å; R250-L253 PolarHBondContact O-N 2.96Å; L251-L253 PolarHBondContact O-N 3.28Å; L253-Y256 PolarHBondContact O-N 3.48Å; L253-V257 PolarHBondContact O-N 3.27Å; L253-V257 VanDerWaalsContact O-N 3.13Å
254	L	92.5	Very high	92	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-53.5	-48.1	-178.4	174.2	66.6	0	0	0	112.8	V239 M240 V243 R250 L251 Y256 V257 L258 I281 C284	V239-L254 HydrophobicContact CG1-CD1 4.42Å; M240-L254 HydrophobicContact SD-CD1 4.11Å; V243-L254 HydrophobicContact CG2-CB 4.48Å; V243-L254 HydrophobicContact CG2-CD1 3.96Å; R250-L254 PolarHBondContact O-N 3.17Å; R250-L254 VanDerWaalsContact O-N 3.09Å; L251-L254 WeakPolarHBondContact O-CB 3.45Å; L251-L254 PolarHBondContact O-N 3.48Å; L254-Y256 VanDerWaalsContact C-N 3.29Å; L254-Y256 PolarHBondContact O-N 2.89Å; L254-V257 PolarHBondContact O-N 3.41Å; L254-L258 HydrophobicContact CD1-CB 4.48Å; L254-L258 WeakPolarHBondContact O-CB 3.32Å; L254-L258 PolarHBondContact O-N 3.44Å; L254-I281 HydrophobicContact CD2-CG1 4.45Å; L254-C284 HydrophobicContact CD2-CB 4.5Å
255	P	92.4	Very high	91.8	Very high	20 Å²	20	45.9 Å²	45.9	13%	0.13	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-39.3	-179.3	-22.1	34.2	0	0	0	112.7	E259 E286 V287	P255-E259 PolarHBondContact O-N 3.15Å; P255-E259 VanDerWaalsContact O-N 3.07Å; P255-E286 HydrophobicContact CB-CB 4.11Å; P255-E286 HydrophobicContact CG-CB 3.85Å; P255-E286 WeakPolarHBondContact CG-OE2 3.42Å; P255-V287 HydrophobicContact CB-CG2 4.23Å; P255-V287 HydrophobicContact CG-CG2 4.07Å
256	Y	92.6	Very high	91.8	Very high	97 Å²	97	42.1 Å²	42.1	38%	0.38	22%	0.224	S	C	.	.	H	α-helix	trans	-68.2	-36.5	-179.2	179.2	-112.6	0	0	0	113.2	V215 H219 L253 L254 N260	V215-Y256 HydrophobicContact CG2-CD1 4.12Å; V215-Y256 HydrophobicContact CG2-CE1 4.4Å; H219-Y256 HydrophobicContact CB-CE1 3.81Å; H219-Y256 PolarHBondContact CD2-OH 2.95Å; H219-Y256 AromaticContact CE1-CE2 3.46Å; H219-Y256 VanDerWaalsContact CE1-CE2 3.46Å; H219-Y256 WeakPolarHBondContact CE1-CE2 3.47Å; H219-Y256 AromaticContact CE1-CZ 3.43Å; H219-Y256 VanDerWaalsContact CE1-CZ 3.43Å; H219-Y256 PolarHBondContact CE1-OH 2.8Å; H219-Y256 AromaticContact CG-CE1 3.63Å; H219-Y256 AromaticContact CG-CZ 3.57Å; H219-Y256 AromaticContact ND1-CD1 3.84Å; H219-Y256 AromaticContact ND1-CE1 3.32Å; H219-Y256 VanDerWaalsContact ND1-CE1 3.32Å; H219-Y256 WeakPolarHBondContact ND1-CE1 3.37Å; H219-Y256 AromaticContact ND1-CE2 3.52Å; H219-Y256 AromaticContact ND1-CZ 3.14Å; H219-Y256 PolarHBondContact ND1-O 3.02Å; H219-Y256 PolarHBondContact ND1-OH 3.43Å; H219-Y256 AromaticContact NE2-CZ 3.95Å; L253-Y256 PolarHBondContact O-N 3.48Å; L254-Y256 VanDerWaalsContact C-N 3.29Å; L254-Y256 PolarHBondContact O-N 2.89Å; Y256-N260 PolarHBondContact O-ND2 3.27Å
257	V	92.7	Very high	91.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-79	-41.7	177	-177.5	0	0	0	0	110.5	V215 L218 L222 V239 W242 L253 L254 E259 N260	V215-V257 HydrophobicContact CG2-CG2 3.72Å; L218-V257 HydrophobicContact CD2-CG1 3.91Å; L218-V257 HydrophobicContact CG-CG1 4.29Å; L222-V257 HydrophobicContact CD1-CG1 3.55Å; V239-V257 HydrophobicContact CB-CG1 4.32Å; V239-V257 HydrophobicContact CG1-CB 4.26Å; V239-V257 HydrophobicContact CG1-CG1 3.64Å; V239-V257 HydrophobicContact CG2-CG1 3.73Å; W242-V257 HydrophobicContact CZ3-CG2 4.12Å; L253-V257 PolarHBondContact O-N 3.27Å; L253-V257 VanDerWaalsContact O-N 3.13Å; L254-V257 PolarHBondContact O-N 3.41Å; V257-E259 PolarHBondContact O-N 3.33Å; V257-N260 PolarHBondContact O-N 3.34Å; V257-N260 VanDerWaalsContact O-N 3.11Å
258	L	93.3	Very high	91.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-23.5	-178.2	-163.4	72.9	0	0	0	112.9	F236 L254 N260 V261 L263 V287 L290	F236-L258 HydrophobicContact CD2-CD1 3.97Å; F236-L258 HydrophobicContact CE2-CD1 4Å; L254-L258 HydrophobicContact CD1-CB 4.48Å; L254-L258 WeakPolarHBondContact O-CB 3.32Å; L254-L258 PolarHBondContact O-N 3.44Å; L258-N260 PolarHBondContact O-N 2.79Å; L258-V261 HydrophobicContact CD1-CB 4.22Å; L258-V261 HydrophobicContact CD1-CG2 4.07Å; L258-V261 WeakPolarHBondContact O-CB 3.44Å; L258-V261 PolarHBondContact O-N 2.88Å; L258-L263 HydrophobicContact CD1-CD2 4.5Å; L258-L263 HydrophobicContact CD2-CD1 4.42Å; L258-L263 HydrophobicContact CG-CD1 4.46Å; L258-V287 HydrophobicContact CD2-CB 4.34Å; L258-V287 HydrophobicContact CD2-CG1 3.34Å; L258-V287 HydrophobicContact CD2-CG2 4.03Å; L258-L290 HydrophobicContact CB-CD1 4.43Å; L258-L290 HydrophobicContact CD2-CD1 4.4Å; L258-L290 HydrophobicContact CG-CD1 4.5Å
259	E	93.2	Very high	91.7	Very high	107 Å²	107	47 Å²	47	50%	0.5	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-30	171.3	-171.3	176.1	-167.3	0	0	112.7	P255 V257 V261 R308	P255-E259 PolarHBondContact O-N 3.15Å; P255-E259 VanDerWaalsContact O-N 3.07Å; V257-E259 PolarHBondContact O-N 3.33Å; E259-V261 VanDerWaalsContact C-N 3.33Å; E259-R308 VanDerWaalsContact O-CD 3.26Å; E259-R308 WeakPolarHBondContact O-CD 3.27Å
260	N	93.6	Very high	91.9	Very high	19 Å²	19	42.4 Å²	42.4	10%	0.102	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.9	177.8	-57.6	-67.4	0	0	0	114	H219 L222 Y256 V257 L258 R312	H219-N260 PolarHBondContact CE1-ND2 3.27Å; H219-N260 PolarHBondContact ND1-ND2 3.21Å; L222-N260 HydrophobicContact CB-CB 3.68Å; Y256-N260 PolarHBondContact O-ND2 3.27Å; V257-N260 PolarHBondContact O-N 3.34Å; V257-N260 VanDerWaalsContact O-N 3.11Å; L258-N260 PolarHBondContact O-N 2.79Å; N260-R312 PolarHBondContact O-NH2 2.96Å
261	V	94	Very high	92	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-89.6	127	174.8	-174.2	0	0	0	0	108.9	E232 V235 F236 V239 L258 E259 L263	E232-V261 HydrophobicContact CG-CG1 4.06Å; V235-V261 HydrophobicContact CG1-CG2 4.18Å; F236-V261 HydrophobicContact CB-CG1 4.06Å; F236-V261 HydrophobicContact CD2-CG1 4.48Å; V239-V261 HydrophobicContact CB-CG2 4.5Å; V239-V261 HydrophobicContact CG2-CG2 3.84Å; L258-V261 HydrophobicContact CD1-CB 4.22Å; L258-V261 HydrophobicContact CD1-CG2 4.07Å; L258-V261 WeakPolarHBondContact O-CB 3.44Å; L258-V261 PolarHBondContact O-N 2.88Å; E259-V261 VanDerWaalsContact C-N 3.33Å; V261-L263 HydrophobicContact CB-CD2 4.43Å; V261-L263 HydrophobicContact CG1-CD2 3.9Å; V261-L263 HydrophobicContact CG1-CG 4.49Å; V261-L263 PolarHBondContact O-N 3.44Å
262	R	93.1	Very high	92.2	Very high	12 Å²	12	43.4 Å²	43.4	5%	0.045	22%	0.218	C	C	.	.			trans	-82.6	62	-175.8	-54.2	-177.8	-171.8	-169.1	0.1	111	D225 E232 P264 L265 R308 K310 P311 R312	D225-R262 IonicContact OD1-CZ 2.64Å; D225-R262 IonicContact OD1-NH1 2.74Å; D225-R262 PolarHBondContact OD1-NH1 3.46Å; D225-R262 IonicContact OD1-NH2 3.96Å; D225-R262 PolarHBondContact OD1-NH2 3.43Å; E232-R262 HydrophobicContact CG-CB 3.8Å; E232-R262 WeakPolarHBondContact OE1-CG 3.4Å; E232-R262 PolarHBondContact OE1-N 2.64Å; R262-P264 VanDerWaalsContact C-N 3.25Å; R262-P264 VanDerWaalsContact O-N 3.11Å; R262-L265 HydrophobicContact CB-CB 4.36Å; R262-L265 HydrophobicContact CB-CD1 3.69Å; R262-L265 HydrophobicContact CB-CG 3.9Å; R262-L265 HydrophobicContact CG-CD1 4.37Å; R262-L265 WeakPolarHBondContact O-CB 3.4Å; R262-L265 PolarHBondContact O-N 3.29Å; R262-R308 WeakPolarHBondContact CB-O 3.33Å; R262-K310 WeakPolarHBondContact CD-O 3.39Å; R262-K310 PolarHBondContact NH1-O 3.03Å; R262-P311 PolarHBondContact NH1-O 3.49Å; R262-R312 VanDerWaalsContact NH1-CG 3.3Å
263	L	93.9	Very high	92.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-47.8	-36.9	-179.6	-58.6	177.5	0	0	0	114.7	F236 L258 V261 L265 L266 F271 V275 L290 L291 A294	F236-L263 HydrophobicContact CD2-CD2 4.18Å; L258-L263 HydrophobicContact CD1-CD2 4.5Å; L258-L263 HydrophobicContact CD2-CD1 4.42Å; L258-L263 HydrophobicContact CG-CD1 4.46Å; V261-L263 HydrophobicContact CB-CD2 4.43Å; V261-L263 HydrophobicContact CG1-CD2 3.9Å; V261-L263 HydrophobicContact CG1-CG 4.49Å; V261-L263 PolarHBondContact O-N 3.44Å; L263-L265 PolarHBondContact O-N 2.93Å; L263-L265 VanDerWaalsContact O-N 3.12Å; L263-L266 HydrophobicContact CD2-CD1 3.7Å; L263-L266 WeakPolarHBondContact O-CB 3.48Å; L263-L266 PolarHBondContact O-N 3.23Å; L263-L266 VanDerWaalsContact O-N 3.15Å; L263-F271 HydrophobicContact CB-CE2 4.46Å; L263-V275 HydrophobicContact CD2-CG1 4.28Å; L263-L290 HydrophobicContact CD1-CB 4.16Å; L263-L291 HydrophobicContact CD1-CD2 4.09Å; L263-A294 HydrophobicContact CB-CB 3.89Å
264	P	91.7	Very high	92.3	Very high	1 Å²	1	44 Å²	44	1%	0.006	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-62	-12.9	174.5	-24.4	35.8	0	0	0	115.6	R262 E293 A294 Y297 H298 R308 T309	R262-P264 VanDerWaalsContact C-N 3.25Å; R262-P264 VanDerWaalsContact O-N 3.11Å; P264-E293 HydrophobicContact CG-CG 4.46Å; P264-A294 HydrophobicContact CG-CB 4.24Å; P264-Y297 HydrophobicContact CB-CD1 3.7Å; P264-Y297 HydrophobicContact CB-CD2 4.44Å; P264-Y297 HydrophobicContact CB-CG 3.69Å; P264-Y297 WeakPolarHBondContact O-CD1 3.34Å; P264-Y297 WeakPolarHBondContact O-CE1 3.5Å; P264-H298 PolarHBondContact O-NE2 3.4Å; P264-R308 HydrophobicContact CG-CB 4.19Å; P264-T309 HydrophobicContact CB-CG2 3.95Å; P264-T309 HydrophobicContact CG-CG2 4.14Å
265	L	89.3	Confident	92.4	Very high	20 Å²	20	44 Å²	44	11%	0.105	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-97.7	-5.7	178.9	-53.9	-174.1	0	0	0	113.1	E232 R262 L263 K310 P311 R605	E232-L265 HydrophobicContact CB-CB 4.5Å; R262-L265 HydrophobicContact CB-CB 4.36Å; R262-L265 HydrophobicContact CB-CD1 3.69Å; R262-L265 HydrophobicContact CB-CG 3.9Å; R262-L265 HydrophobicContact CG-CD1 4.37Å; R262-L265 WeakPolarHBondContact O-CB 3.4Å; R262-L265 PolarHBondContact O-N 3.29Å; L263-L265 PolarHBondContact O-N 2.93Å; L263-L265 VanDerWaalsContact O-N 3.12Å; L265-K310 WeakPolarHBondContact CD1-O 3.18Å; L265-P311 HydrophobicContact CD1-CB 4.47Å; L265-R605 VanDerWaalsContact CD2-CZ 3.42Å
266	L	91.1	Very high	92.4	Very high	9 Å²	9	44.9 Å²	44.9	5%	0.047	22%	0.216	C	C	.	.	S	Bend	trans	-69.2	152.1	175.1	-65.8	174.7	0	0	0	110.6	E232 A233 L263 Y270 F271 V275 H298	E232-L266 HydrophobicContact CB-CD2 3.92Å; E232-L266 HydrophobicContact CG-CD2 4.4Å; A233-L266 HydrophobicContact CB-CD2 4.04Å; A233-L266 VanDerWaalsContact N-CD2 3.28Å; L263-L266 HydrophobicContact CD2-CD1 3.7Å; L263-L266 WeakPolarHBondContact O-CB 3.48Å; L263-L266 PolarHBondContact O-N 3.23Å; L263-L266 VanDerWaalsContact O-N 3.15Å; L266-Y270 HydrophobicContact CD1-CD1 4.44Å; L266-Y270 HydrophobicContact CD2-CD1 4.28Å; L266-Y270 HydrophobicContact CD2-CE1 4.36Å; L266-F271 HydrophobicContact CB-CB 4.42Å; L266-F271 HydrophobicContact CD1-CD2 4.41Å; L266-V275 HydrophobicContact CD1-CG2 3.73Å; L266-H298 PolarHBondContact O-NE2 3.42Å
267	D	88.3	Confident	92.5	Very high	98 Å²	98	42.2 Å²	42.2	52%	0.524	21%	0.214	S	C	.	.			trans	-59.4	133.2	169.1	177.8	-90.9	0	0	0	109.9	W269 Y270 F271	D267-W269 PolarHBondContact O-N 3.25Å; D267-W269 WeakPolarHBondContact OD1-CA 3.48Å; D267-W269 WeakPolarHBondContact OD1-CB 3.36Å; D267-W269 PolarHBondContact OD1-N 2.98Å; D267-Y270 PolarHBondContact O-N 3.35Å; D267-Y270 VanDerWaalsContact O-N 3.16Å; D267-Y270 PolarHBondContact OD1-N 2.83Å; D267-F271 PolarHBondContact O-N 2.74Å
268	P	90	Very high	92.5	Very high	67 Å²	67	42.9 Å²	42.9	44%	0.435	22%	0.218	S	C	.	.	H	α-helix	trans	-58	-32.2	-176.6	-28	35.6	0	0	0	114.4	V272 H298	P268-V272 WeakPolarHBondContact O-CG2 3.05Å; P268-V272 PolarHBondContact O-N 2.79Å; P268-H298 HydrophobicContact CG-CB 4.44Å
269	W	89.9	Confident	92.5	Very high	181 Å²	181	46.8 Å²	46.8	69%	0.686	24%	0.243	S	C	*	.	H	α-helix	trans	-70.9	-49	176.6	178.5	-91.6	0	0	0	110.6	D267 F271 V272 E273	D267-W269 PolarHBondContact O-N 3.25Å; D267-W269 WeakPolarHBondContact OD1-CA 3.48Å; D267-W269 WeakPolarHBondContact OD1-CB 3.36Å; D267-W269 PolarHBondContact OD1-N 2.98Å; W269-F271 VanDerWaalsContact C-N 3.27Å; W269-F271 PolarHBondContact O-N 2.61Å; W269-V272 PolarHBondContact O-N 2.56Å; W269-E273 PolarHBondContact NE1-OE2 3.43Å; W269-E273 WeakPolarHBondContact O-CB 3.26Å; W269-E273 PolarHBondContact O-N 3.21Å
270	Y	93.1	Very high	92.4	Very high	42 Å²	42	43.1 Å²	43.1	17%	0.165	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-39.9	176	-176.6	-87.6	0	0	0	112.2	A233 F236 E237 L266 D267 V272 T274 V275	A233-Y270 HydrophobicContact CB-CD1 4.42Å; A233-Y270 HydrophobicContact CB-CE1 3.96Å; A233-Y270 HydrophobicContact CB-CE2 4.32Å; F236-Y270 HydrophobicContact CD1-CE1 4.12Å; E237-Y270 VanDerWaalsContact CG-OH 3.24Å; E237-Y270 WeakPolarHBondContact CG-OH 3.39Å; E237-Y270 PolarHBondContact OE1-OH 3.31Å; L266-Y270 HydrophobicContact CD1-CD1 4.44Å; L266-Y270 HydrophobicContact CD2-CD1 4.28Å; L266-Y270 HydrophobicContact CD2-CE1 4.36Å; D267-Y270 PolarHBondContact O-N 3.35Å; D267-Y270 VanDerWaalsContact O-N 3.16Å; D267-Y270 PolarHBondContact OD1-N 2.83Å; Y270-V272 PolarHBondContact O-N 2.91Å; Y270-T274 HydrophobicContact CE1-CG2 4.28Å; Y270-T274 HydrophobicContact CE2-CG2 4.21Å; Y270-T274 WeakPolarHBondContact O-CA 3.38Å; Y270-T274 VanDerWaalsContact O-CB 3.25Å; Y270-T274 WeakPolarHBondContact O-CB 2.95Å; Y270-T274 PolarHBondContact O-N 3.28Å; Y270-T274 PolarHBondContact O-OG1 3.25Å; Y270-V275 HydrophobicContact CD1-CG2 4.36Å; Y270-V275 HydrophobicContact CE1-CG2 4.22Å; Y270-V275 PolarHBondContact O-N 3Å
271	F	94.5	Very high	92.3	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	22%	0.223	C	C	.	.	I	π-helix	trans	-59.7	-46.4	177.2	175.5	-100.4	0	0	0	112.2	L263 L266 D267 W269 V275 E276 L291 A294 R295 H298	L263-F271 HydrophobicContact CB-CE2 4.46Å; L266-F271 HydrophobicContact CB-CB 4.42Å; L266-F271 HydrophobicContact CD1-CD2 4.41Å; D267-F271 PolarHBondContact O-N 2.74Å; W269-F271 VanDerWaalsContact C-N 3.27Å; W269-F271 PolarHBondContact O-N 2.61Å; F271-V275 HydrophobicContact CD2-CB 4.07Å; F271-V275 HydrophobicContact CD2-CG1 4.25Å; F271-V275 HydrophobicContact CD2-CG2 4.27Å; F271-V275 HydrophobicContact CE2-CB 4.47Å; F271-V275 HydrophobicContact CE2-CG1 4.23Å; F271-V275 WeakPolarHBondContact O-CA 3.41Å; F271-V275 VanDerWaalsContact O-CB 3.26Å; F271-V275 WeakPolarHBondContact O-CB 3.35Å; F271-V275 PolarHBondContact O-N 3.06Å; F271-E276 HydrophobicContact CD1-CG 4.22Å; F271-E276 HydrophobicContact CE1-CG 3.77Å; F271-E276 WeakPolarHBondContact CE1-OE1 3.39Å; F271-E276 HydrophobicContact CZ-CG 3.95Å; F271-E276 PolarHBondContact O-N 3.32Å; F271-L291 HydrophobicContact CE2-CD2 3.82Å; F271-L291 HydrophobicContact CZ-CB 4.2Å; F271-L291 HydrophobicContact CZ-CD2 3.96Å; F271-A294 HydrophobicContact CD2-CB 4.37Å; F271-A294 HydrophobicContact CE2-CB 3.74Å; F271-A294 HydrophobicContact CZ-CB 3.87Å; F271-R295 HydrophobicContact CE1-CG 3.86Å; F271-R295 HydrophobicContact CZ-CG 4.32Å; F271-H298 AromaticContact CG-CE1 3.95Å
272	V	93	Very high	92.1	Very high	82 Å²	82	51 Å²	51	50%	0.497	26%	0.256	S	S	.	.	I	π-helix	trans	-73.9	-44.9	-178.8	176.8	0	0	0	0	111.7	P268 W269 Y270	P268-V272 WeakPolarHBondContact O-CG2 3.05Å; P268-V272 PolarHBondContact O-N 2.79Å; W269-V272 PolarHBondContact O-N 2.56Å; Y270-V272 PolarHBondContact O-N 2.91Å
273	E	93.9	Very high	92	Very high	116 Å²	116	56.5 Å²	56.5	54%	0.542	28%	0.282	S	S	.	.	I	π-helix	trans	-74.7	-37.5	-174.5	-173.2	174	-151.8	0	0	112.9	W269 A277	W269-E273 PolarHBondContact NE1-OE2 3.43Å; W269-E273 WeakPolarHBondContact O-CB 3.26Å; W269-E273 PolarHBondContact O-N 3.21Å; E273-A277 WeakPolarHBondContact O-CB 3.21Å
274	T	93.4	Very high	91.8	Very high	51 Å²	51	57.6 Å²	57.6	31%	0.313	29%	0.289	S	S	.	.	I	π-helix	trans	-103.9	-53.2	-173.4	-50.8	0	0	0	0	111.7	F236 Y270 D278	F236-T274 HydrophobicContact CE1-CG2 4.24Å; Y270-T274 HydrophobicContact CE1-CG2 4.28Å; Y270-T274 HydrophobicContact CE2-CG2 4.21Å; Y270-T274 WeakPolarHBondContact O-CA 3.38Å; Y270-T274 VanDerWaalsContact O-CB 3.25Å; Y270-T274 WeakPolarHBondContact O-CB 2.95Å; Y270-T274 PolarHBondContact O-N 3.28Å; Y270-T274 PolarHBondContact O-OG1 3.25Å; T274-D278 PolarHBondContact O-N 3.09Å
275	V	94.3	Very high	91.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.321	C	S	.	.	I	π-helix	trans	-73.8	-52.6	-172.3	-175.3	0	0	0	0	110.9	F236 L263 L266 Y270 F271 A277 D278 I281 L291	F236-V275 HydrophobicContact CD1-CG2 4.14Å; F236-V275 HydrophobicContact CD2-CG2 4.27Å; F236-V275 HydrophobicContact CE1-CG2 3.83Å; F236-V275 HydrophobicContact CE2-CB 4.33Å; F236-V275 HydrophobicContact CE2-CG1 3.78Å; F236-V275 HydrophobicContact CE2-CG2 3.97Å; F236-V275 HydrophobicContact CG-CG2 4.34Å; F236-V275 HydrophobicContact CZ-CB 4.06Å; F236-V275 HydrophobicContact CZ-CG1 3.93Å; F236-V275 HydrophobicContact CZ-CG2 3.74Å; L263-V275 HydrophobicContact CD2-CG1 4.28Å; L266-V275 HydrophobicContact CD1-CG2 3.73Å; Y270-V275 HydrophobicContact CD1-CG2 4.36Å; Y270-V275 HydrophobicContact CE1-CG2 4.22Å; Y270-V275 PolarHBondContact O-N 3Å; F271-V275 HydrophobicContact CD2-CB 4.07Å; F271-V275 HydrophobicContact CD2-CG1 4.25Å; F271-V275 HydrophobicContact CD2-CG2 4.27Å; F271-V275 HydrophobicContact CE2-CB 4.47Å; F271-V275 HydrophobicContact CE2-CG1 4.23Å; F271-V275 WeakPolarHBondContact O-CA 3.41Å; F271-V275 VanDerWaalsContact O-CB 3.26Å; F271-V275 WeakPolarHBondContact O-CB 3.35Å; F271-V275 PolarHBondContact O-N 3.06Å; V275-A277 VanDerWaalsContact C-N 3.32Å; V275-A277 PolarHBondContact O-N 2.62Å; V275-D278 PolarHBondContact O-N 2.82Å; V275-I281 HydrophobicContact CG1-CD1 3.72Å; V275-I281 WeakPolarHBondContact O-CD1 3.5Å; V275-L291 HydrophobicContact CG1-CD2 3.99Å
276	E	92.7	Very high	91.8	Very high	38 Å²	38	68.1 Å²	68.1	18%	0.178	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-23.4	-178.4	-63.6	-165.4	151.1	0	0	113.6	F271 D278 R282 R295	F271-E276 HydrophobicContact CD1-CG 4.22Å; F271-E276 HydrophobicContact CE1-CG 3.77Å; F271-E276 WeakPolarHBondContact CE1-OE1 3.39Å; F271-E276 HydrophobicContact CZ-CG 3.95Å; F271-E276 PolarHBondContact O-N 3.32Å; E276-D278 VanDerWaalsContact C-N 3.34Å; E276-R282 PolarHBondContact O-NE 3.23Å; E276-R282 PolarHBondContact O-NH2 3.07Å; E276-R295 IonicContact OE1-CZ 2.79Å; E276-R295 IonicContact OE1-NE 3.62Å; E276-R295 PolarHBondContact OE1-NE 2.96Å; E276-R295 IonicContact OE1-NH2 3.71Å; E276-R295 PolarHBondContact OE1-NH2 3.17Å; E276-R295 IonicContact OE2-NH2 2.87Å
277	A	93	Very high	91.9	Very high	42 Å²	42	67.7 Å²	67.7	35%	0.347	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.2	176.5	0	0	0	0	0	113.2	E273 V275	E273-A277 WeakPolarHBondContact O-CB 3.21Å; V275-A277 VanDerWaalsContact C-N 3.32Å; V275-A277 PolarHBondContact O-N 2.62Å
278	D	94.1	Very high	92.1	Very high	14 Å²	14	68 Å²	68	8%	0.075	34%	0.341	C	S	.	.			trans	-62.5	127.4	-173.8	-170.1	-78.1	0	0	0	112.3	M240 R244 T274 V275 E276 L280 I281 R282	M240-D278 WeakPolarHBondContact CE-OD1 3.43Å; M240-D278 WeakPolarHBondContact CE-OD2 3.36Å; R244-D278 IonicContact CZ-OD2 3.7Å; R244-D278 IonicContact NH2-OD2 2.79Å; R244-D278 PolarHBondContact NH2-OD2 2.84Å; T274-D278 PolarHBondContact O-N 3.09Å; V275-D278 PolarHBondContact O-N 2.82Å; E276-D278 VanDerWaalsContact C-N 3.34Å; D278-L280 VanDerWaalsContact C-N 3.33Å; D278-L280 PolarHBondContact O-N 2.78Å; D278-L280 WeakPolarHBondContact OD1-CA 3.4Å; D278-L280 VanDerWaalsContact OD1-CB 3.28Å; D278-L280 WeakPolarHBondContact OD1-CB 3.18Å; D278-L280 PolarHBondContact OD1-N 3.34Å; D278-I281 HydrophobicContact CB-CB 4.29Å; D278-I281 HydrophobicContact CB-CD1 4.1Å; D278-I281 HydrophobicContact CB-CG1 4.19Å; D278-I281 PolarHBondContact O-N 3.41Å; D278-I281 PolarHBondContact OD1-N 3.19Å; D278-R282 WeakPolarHBondContact O-CG 3.35Å; D278-R282 PolarHBondContact O-N 2.91Å; D278-R282 VanDerWaalsContact O-N 3.15Å
279	P	92.1	Very high	92.2	Very high	82 Å²	82	68.6 Å²	68.6	53%	0.532	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-34.6	-179	-25.3	34.4	0	0	0	114.8	Q283	P279-Q283 VanDerWaalsContact O-CG 3.24Å; P279-Q283 WeakPolarHBondContact O-CG 3.41Å; P279-Q283 PolarHBondContact O-N 2.87Å; P279-Q283 PolarHBondContact O-NE2 3.13Å
280	L	91.7	Very high	92.4	Very high	30 Å²	30	61 Å²	61	16%	0.157	32%	0.318	C	S	.	.	H	α-helix	trans	-71.3	-38.4	-178.3	-55.4	174.5	0	0	0	110.4	M240 V243 R244 L251 D278 Q283	M240-L280 HydrophobicContact CE-CB 4.23Å; M240-L280 HydrophobicContact CE-CD1 3.94Å; V243-L280 HydrophobicContact CG1-CD1 4.43Å; R244-L280 HydrophobicContact CG-CD1 3.75Å; L251-L280 HydrophobicContact CD2-CB 4.13Å; L251-L280 HydrophobicContact CD2-CD2 3.87Å; L251-L280 HydrophobicContact CD2-CG 4.46Å; D278-L280 VanDerWaalsContact C-N 3.33Å; D278-L280 PolarHBondContact O-N 2.78Å; D278-L280 WeakPolarHBondContact OD1-CA 3.4Å; D278-L280 VanDerWaalsContact OD1-CB 3.28Å; D278-L280 WeakPolarHBondContact OD1-CB 3.18Å; D278-L280 PolarHBondContact OD1-N 3.34Å; L280-Q283 PolarHBondContact O-N 2.8Å
281	I	92.1	Very high	92.4	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-66.5	-41.6	176.6	-66.8	179.1	0	0	0	110.6	F236 M240 L254 V275 D278 Q283 C284 V287 L291	F236-I281 HydrophobicContact CE2-CD1 3.63Å; F236-I281 HydrophobicContact CZ-CD1 3.59Å; M240-I281 HydrophobicContact CE-CG1 4.38Å; M240-I281 HydrophobicContact SD-CD1 4.27Å; M240-I281 HydrophobicContact SD-CG1 4.43Å; L254-I281 HydrophobicContact CD2-CG1 4.45Å; V275-I281 HydrophobicContact CG1-CD1 3.72Å; V275-I281 WeakPolarHBondContact O-CD1 3.5Å; D278-I281 HydrophobicContact CB-CB 4.29Å; D278-I281 HydrophobicContact CB-CD1 4.1Å; D278-I281 HydrophobicContact CB-CG1 4.19Å; D278-I281 PolarHBondContact O-N 3.41Å; D278-I281 PolarHBondContact OD1-N 3.19Å; I281-Q283 VanDerWaalsContact C-N 3.25Å; I281-Q283 PolarHBondContact O-N 3.47Å; I281-C284 PolarHBondContact O-N 3.45Å; I281-C284 VanDerWaalsContact O-N 3.17Å; I281-V287 HydrophobicContact CG2-CG1 4.04Å; I281-L291 HydrophobicContact CG2-CD1 3.94Å; I281-L291 HydrophobicContact CG2-CD2 4.45Å
282	R	90	Very high	92.3	Very high	181 Å²	181	64.2 Å²	64.2	68%	0.683	34%	0.335	S	S	*	.	H	α-helix	trans	-64.8	-27.5	177.3	-71.5	179.6	177.4	-174	-1.5	113.8	E276 D278 C284	E276-R282 PolarHBondContact O-NE 3.23Å; E276-R282 PolarHBondContact O-NH2 3.07Å; D278-R282 WeakPolarHBondContact O-CG 3.35Å; D278-R282 PolarHBondContact O-N 2.91Å; D278-R282 VanDerWaalsContact O-N 3.15Å; R282-C284 VanDerWaalsContact C-N 3.3Å
283	Q	89.3	Confident	92.2	Very high	127 Å²	127	62 Å²	62	59%	0.593	32%	0.319	S	S	*	.	H	α-helix	trans	-76.2	-18.5	177.4	-73.5	170	36.1	0	0	112.9	P279 L280 I281 P285	P279-Q283 VanDerWaalsContact O-CG 3.24Å; P279-Q283 WeakPolarHBondContact O-CG 3.41Å; P279-Q283 PolarHBondContact O-N 2.87Å; P279-Q283 PolarHBondContact O-NE2 3.13Å; L280-Q283 PolarHBondContact O-N 2.8Å; I281-Q283 VanDerWaalsContact C-N 3.25Å; I281-Q283 PolarHBondContact O-N 3.47Å; Q283-P285 VanDerWaalsContact O-CD 3.28Å; Q283-P285 WeakPolarHBondContact O-CD 3.34Å
284	C	90.9	Very high	92.1	Very high	22 Å²	22	56.5 Å²	56.5	15%	0.149	29%	0.293	C	S	.	.			trans	-105.9	98.1	-174.7	-67.4	0	0	0	0	111.9	L254 I281 R282 E286 V287	L254-C284 HydrophobicContact CD2-CB 4.5Å; I281-C284 PolarHBondContact O-N 3.45Å; I281-C284 VanDerWaalsContact O-N 3.17Å; R282-C284 VanDerWaalsContact C-N 3.3Å; C284-E286 PolarHBondContact O-N 2.94Å; C284-V287 HydrophobicContact CB-CG2 3.97Å; C284-V287 PolarHBondContact O-N 3.07Å
285	P	89.4	Confident	91.9	Very high	104 Å²	104	58.2 Å²	58.2	68%	0.675	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-65.5	-25.3	-179.1	26.7	-34.7	0	0	0	113.3	Q283 V287 F288	Q283-P285 VanDerWaalsContact O-CD 3.28Å; Q283-P285 WeakPolarHBondContact O-CD 3.34Å; P285-V287 PolarHBondContact O-N 3.12Å; P285-F288 WeakPolarHBondContact O-CB 3.48Å; P285-F288 PolarHBondContact O-N 3.43Å; P285-F288 VanDerWaalsContact O-N 3.09Å
286	E	92.1	Very high	91.6	Very high	139 Å²	139	61.7 Å²	61.7	65%	0.65	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-64	-20.8	179.5	-66.1	169.9	-176.1	0	0	113.2	P255 C284 F288 P289	P255-E286 HydrophobicContact CB-CB 4.11Å; P255-E286 HydrophobicContact CG-CB 3.85Å; P255-E286 WeakPolarHBondContact CG-OE2 3.42Å; C284-E286 PolarHBondContact O-N 2.94Å; E286-F288 VanDerWaalsContact C-N 3.33Å; E286-P289 WeakPolarHBondContact O-CD 3.3Å
287	V	92.8	Very high	91.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-79.4	-18.1	177.3	174.5	0	0	0	0	112.2	P255 L258 I281 C284 P285 P289 L290 L291	P255-V287 HydrophobicContact CB-CG2 4.23Å; P255-V287 HydrophobicContact CG-CG2 4.07Å; L258-V287 HydrophobicContact CD2-CB 4.34Å; L258-V287 HydrophobicContact CD2-CG1 3.34Å; L258-V287 HydrophobicContact CD2-CG2 4.03Å; I281-V287 HydrophobicContact CG2-CG1 4.04Å; C284-V287 HydrophobicContact CB-CG2 3.97Å; C284-V287 PolarHBondContact O-N 3.07Å; P285-V287 PolarHBondContact O-N 3.12Å; V287-P289 VanDerWaalsContact C-CD 3.47Å; V287-L290 WeakPolarHBondContact O-CB 3.47Å; V287-L290 PolarHBondContact O-N 3.21Å; V287-L291 HydrophobicContact CG1-CD1 4.3Å; V287-L291 HydrophobicContact CG1-CD2 4.26Å; V287-L291 HydrophobicContact CG1-CG 3.99Å; V287-L291 PolarHBondContact O-N 3.27Å
288	F	91.4	Very high	91	Very high	103 Å²	103	61.1 Å²	61.1	45%	0.452	30%	0.301	S	S	.	.	H	α-helix	trans	-55.1	-42.1	-173.1	-175.7	-98.8	0	0	0	115	P285 E286 L290 L291 Q292	P285-F288 WeakPolarHBondContact O-CB 3.48Å; P285-F288 PolarHBondContact O-N 3.43Å; P285-F288 VanDerWaalsContact O-N 3.09Å; E286-F288 VanDerWaalsContact C-N 3.33Å; F288-L290 PolarHBondContact O-N 2.93Å; F288-L291 PolarHBondContact O-N 3.28Å; F288-Q292 WeakPolarHBondContact O-CB 3.42Å; F288-Q292 PolarHBondContact O-N 2.94Å
289	P	93.3	Very high	90.4	Very high	81 Å²	81	67 Å²	67	53%	0.526	33%	0.331	S	S	.	.	H	α-helix	trans	-59.4	-34.8	175.6	-23.5	35.5	0	0	0	112.9	E286 V287 Q292 E293	E286-P289 WeakPolarHBondContact O-CD 3.3Å; V287-P289 VanDerWaalsContact C-CD 3.47Å; P289-Q292 PolarHBondContact O-N 2.98Å; P289-E293 PolarHBondContact O-N 3.24Å
290	L	93	Very high	89.5	Confident	22 Å²	22	64.7 Å²	64.7	12%	0.115	32%	0.317	C	S	.	.	H	α-helix	trans	-69.3	-42.3	179.5	-38.8	-175.8	0	0	0	111	L258 L263 V287 F288 Q292 E293 A294 R308	L258-L290 HydrophobicContact CB-CD1 4.43Å; L258-L290 HydrophobicContact CD2-CD1 4.4Å; L258-L290 HydrophobicContact CG-CD1 4.5Å; L263-L290 HydrophobicContact CD1-CB 4.16Å; V287-L290 WeakPolarHBondContact O-CB 3.47Å; V287-L290 PolarHBondContact O-N 3.21Å; F288-L290 PolarHBondContact O-N 2.93Å; L290-Q292 VanDerWaalsContact C-N 3.35Å; L290-E293 PolarHBondContact O-N 2.83Å; L290-A294 PolarHBondContact O-N 3.2Å; L290-R308 VanDerWaalsContact CD2-NH2 3.27Å
291	L	93.8	Very high	88.7	Confident	14 Å²	14	64 Å²	64	7%	0.073	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-41.2	174.6	-58.5	179.2	0	0	0	111.4	L263 F271 V275 I281 V287 F288 E293 A294 R295	L263-L291 HydrophobicContact CD1-CD2 4.09Å; F271-L291 HydrophobicContact CE2-CD2 3.82Å; F271-L291 HydrophobicContact CZ-CB 4.2Å; F271-L291 HydrophobicContact CZ-CD2 3.96Å; V275-L291 HydrophobicContact CG1-CD2 3.99Å; I281-L291 HydrophobicContact CG2-CD1 3.94Å; I281-L291 HydrophobicContact CG2-CD2 4.45Å; V287-L291 HydrophobicContact CG1-CD1 4.3Å; V287-L291 HydrophobicContact CG1-CD2 4.26Å; V287-L291 HydrophobicContact CG1-CG 3.99Å; V287-L291 PolarHBondContact O-N 3.27Å; F288-L291 PolarHBondContact O-N 3.28Å; L291-E293 VanDerWaalsContact C-N 3.34Å; L291-E293 PolarHBondContact O-N 2.65Å; L291-A294 PolarHBondContact O-N 2.89Å; L291-R295 WeakPolarHBondContact O-CG 3.46Å; L291-R295 PolarHBondContact O-N 3.47Å
292	Q	91.5	Very high	87.6	Confident	96 Å²	96	66.1 Å²	66.1	45%	0.449	33%	0.329	S	S	.	.	H	α-helix	trans	-66.9	-36.6	-179.5	-173.1	157.8	2.7	0	0	112.2	F288 P289 L290 R295 M296	F288-Q292 WeakPolarHBondContact O-CB 3.42Å; F288-Q292 PolarHBondContact O-N 2.94Å; P289-Q292 PolarHBondContact O-N 2.98Å; L290-Q292 VanDerWaalsContact C-N 3.35Å; Q292-R295 PolarHBondContact O-N 2.91Å; Q292-M296 VanDerWaalsContact O-CG 3.26Å; Q292-M296 WeakPolarHBondContact O-CG 3.49Å; Q292-M296 PolarHBondContact O-N 3.11Å
293	E	91.1	Very high	86.6	Confident	37 Å²	37	60.9 Å²	60.9	17%	0.173	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-50	171.1	-174.9	-171.9	-149.2	0	0	111.5	P264 P289 L290 L291 R295 M296 Y297 I304 S306 R308	P264-E293 HydrophobicContact CG-CG 4.46Å; P289-E293 PolarHBondContact O-N 3.24Å; L290-E293 PolarHBondContact O-N 2.83Å; L291-E293 VanDerWaalsContact C-N 3.34Å; L291-E293 PolarHBondContact O-N 2.65Å; E293-R295 PolarHBondContact O-N 3.18Å; E293-M296 PolarHBondContact O-N 2.83Å; E293-Y297 WeakPolarHBondContact O-CB 3.38Å; E293-Y297 PolarHBondContact O-N 2.92Å; E293-I304 HydrophobicContact CG-CG2 4.01Å; E293-S306 WeakPolarHBondContact OE1-CB 3.5Å; E293-S306 PolarHBondContact OE1-OG 3.23Å; E293-R308 IonicContact OE2-CZ 3.17Å; E293-R308 IonicContact OE2-NE 2.68Å; E293-R308 PolarHBondContact OE2-NE 3.02Å; E293-R308 IonicContact OE2-NH2 3.8Å; E293-R308 PolarHBondContact OE2-NH2 3.3Å
294	A	92.2	Very high	86	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-43.5	179.5	0	0	0	0	0	112.1	L263 P264 F271 L290 L291 M296 Y297 H298	L263-A294 HydrophobicContact CB-CB 3.89Å; P264-A294 HydrophobicContact CG-CB 4.24Å; F271-A294 HydrophobicContact CD2-CB 4.37Å; F271-A294 HydrophobicContact CE2-CB 3.74Å; F271-A294 HydrophobicContact CZ-CB 3.87Å; L290-A294 PolarHBondContact O-N 3.2Å; L291-A294 PolarHBondContact O-N 2.89Å; A294-M296 PolarHBondContact O-N 2.78Å; A294-Y297 PolarHBondContact O-N 3.2Å; A294-H298 VanDerWaalsContact O-CG 3.23Å; A294-H298 PolarHBondContact O-N 2.71Å; A294-H298 PolarHBondContact O-ND1 2.94Å
295	R	90.1	Very high	85.3	Confident	86 Å²	86	57.8 Å²	57.8	33%	0.325	30%	0.297	S	S	.	.	H	α-helix	trans	-57.5	-48.7	174.2	-72.3	177.3	-170.5	141.7	2.8	112.2	F271 E276 L291 Q292 E293 Y297 H298 L299	F271-R295 HydrophobicContact CE1-CG 3.86Å; F271-R295 HydrophobicContact CZ-CG 4.32Å; E276-R295 IonicContact OE1-CZ 2.79Å; E276-R295 IonicContact OE1-NE 3.62Å; E276-R295 PolarHBondContact OE1-NE 2.96Å; E276-R295 IonicContact OE1-NH2 3.71Å; E276-R295 PolarHBondContact OE1-NH2 3.17Å; E276-R295 IonicContact OE2-NH2 2.87Å; L291-R295 WeakPolarHBondContact O-CG 3.46Å; L291-R295 PolarHBondContact O-N 3.47Å; Q292-R295 PolarHBondContact O-N 2.91Å; E293-R295 PolarHBondContact O-N 3.18Å; R295-Y297 VanDerWaalsContact C-N 3.32Å; R295-Y297 PolarHBondContact O-N 3.42Å; R295-H298 PolarHBondContact O-N 3.47Å; R295-L299 VanDerWaalsContact O-CG 3.32Å; R295-L299 WeakPolarHBondContact O-CG 3.33Å; R295-L299 PolarHBondContact O-N 3.04Å; R295-L299 VanDerWaalsContact O-N 3.07Å
296	M	86.8	Confident	85.1	Confident	73 Å²	73	54 Å²	54	36%	0.36	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-45	179.4	-70.3	-62.3	-59.3	0	0	109.9	Q292 E293 A294 H298 L299 S300 I304	Q292-M296 VanDerWaalsContact O-CG 3.26Å; Q292-M296 WeakPolarHBondContact O-CG 3.49Å; Q292-M296 PolarHBondContact O-N 3.11Å; E293-M296 PolarHBondContact O-N 2.83Å; A294-M296 PolarHBondContact O-N 2.78Å; M296-H298 PolarHBondContact O-N 2.82Å; M296-L299 PolarHBondContact O-N 3.25Å; M296-L299 VanDerWaalsContact O-N 3.16Å; M296-S300 PolarHBondContact O-N 3.02Å; M296-S300 PolarHBondContact O-OG 2.91Å; M296-I304 HydrophobicContact CB-CD1 4.26Å; M296-I304 HydrophobicContact CB-CG1 3.99Å
297	Y	86.7	Confident	84.7	Confident	16 Å²	16	51.3 Å²	51.3	6%	0.063	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-44.8	175.7	-173.5	-91.6	0	0	0	112.6	P264 E293 A294 R295 L299 G301 N302 I304 T309 R605	P264-Y297 HydrophobicContact CB-CD1 3.7Å; P264-Y297 HydrophobicContact CB-CD2 4.44Å; P264-Y297 HydrophobicContact CB-CG 3.69Å; P264-Y297 WeakPolarHBondContact O-CD1 3.34Å; P264-Y297 WeakPolarHBondContact O-CE1 3.5Å; E293-Y297 WeakPolarHBondContact O-CB 3.38Å; E293-Y297 PolarHBondContact O-N 2.92Å; A294-Y297 PolarHBondContact O-N 3.2Å; R295-Y297 VanDerWaalsContact C-N 3.32Å; R295-Y297 PolarHBondContact O-N 3.42Å; Y297-L299 VanDerWaalsContact C-N 3.27Å; Y297-L299 PolarHBondContact O-N 3.49Å; Y297-G301 WeakPolarHBondContact CD2-O 3.34Å; Y297-G301 WeakPolarHBondContact CE2-O 3.39Å; Y297-G301 WeakPolarHBondContact O-CA 3.27Å; Y297-G301 PolarHBondContact O-N 2.83Å; Y297-N302 PolarHBondContact OH-OD1 3.37Å; Y297-I304 HydrophobicContact CD2-CB 4.12Å; Y297-I304 WeakPolarHBondContact CD2-O 3.3Å; Y297-T309 HydrophobicContact CD2-CG2 3.45Å; Y297-T309 VanDerWaalsContact CD2-CG2 3.45Å; Y297-T309 HydrophobicContact CE2-CG2 3.86Å; Y297-T309 HydrophobicContact CG-CG2 4.1Å; Y297-R605 PolarHBondContact OH-NE 3.19Å; Y297-R605 PolarHBondContact OH-NH1 2.62Å; Y297-R605 PolarHBondContact OH-NH2 3.35Å
298	H	86.5	Confident	84.5	Confident	53 Å²	53	52.8 Å²	52.8	25%	0.245	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-29.8	177.2	-62.4	156.8	0	0	0	113.3	P264 L266 P268 F271 A294 R295 M296	P264-H298 PolarHBondContact O-NE2 3.4Å; L266-H298 PolarHBondContact O-NE2 3.42Å; P268-H298 HydrophobicContact CG-CB 4.44Å; F271-H298 AromaticContact CG-CE1 3.95Å; A294-H298 VanDerWaalsContact O-CG 3.23Å; A294-H298 PolarHBondContact O-N 2.71Å; A294-H298 PolarHBondContact O-ND1 2.94Å; R295-H298 PolarHBondContact O-N 3.47Å; M296-H298 PolarHBondContact O-N 2.82Å
299	L	82.1	Confident	84.3	Confident	137 Å²	137	48.2 Å²	48.2	72%	0.717	25%	0.247	S	C	*	.	H	α-helix	trans	-84.5	-46	179.5	-69.4	172.7	0	0	0	113.3	R295 M296 Y297	R295-L299 VanDerWaalsContact O-CG 3.32Å; R295-L299 WeakPolarHBondContact O-CG 3.33Å; R295-L299 PolarHBondContact O-N 3.04Å; R295-L299 VanDerWaalsContact O-N 3.07Å; M296-L299 PolarHBondContact O-N 3.25Å; M296-L299 VanDerWaalsContact O-N 3.16Å; Y297-L299 VanDerWaalsContact C-N 3.27Å; Y297-L299 PolarHBondContact O-N 3.49Å
300	S	73.1	Confident	83.9	Confident	33 Å²	33	45.4 Å²	45.4	23%	0.231	23%	0.226	C	C	.	.	H	α-helix	trans	-102	-9.4	-173.6	59.2	0	0	0	0	114.3	M296	M296-S300 PolarHBondContact O-N 3.02Å; M296-S300 PolarHBondContact O-OG 2.91Å
301	G	75.5	Confident	83.5	Confident	16 Å²	16	44.4 Å²	44.4	17%	0.165	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	61.4	-133	-175.5	0	0	0	0	0	112	Y297 E303 I304	Y297-G301 WeakPolarHBondContact CD2-O 3.34Å; Y297-G301 WeakPolarHBondContact CE2-O 3.39Å; Y297-G301 WeakPolarHBondContact O-CA 3.27Å; Y297-G301 PolarHBondContact O-N 2.83Å; G301-E303 PolarHBondContact O-N 3.5Å; G301-I304 PolarHBondContact O-N 3.02Å
302	N	68.3	Low	83.1	Confident	49 Å²	49	43.8 Å²	43.8	26%	0.262	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-68.6	4.1	-171.6	-59.8	-8.8	0	0	0	115.2	Y297 I304 I305	Y297-N302 PolarHBondContact OH-OD1 3.37Å; N302-I304 PolarHBondContact O-N 2.81Å; N302-I305 WeakPolarHBondContact O-CG1 3.22Å
303	E	69.2	Low	82.6	Confident	71 Å²	71	41.6 Å²	41.6	33%	0.332	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-67.1	-22.3	168	-67.6	-172.8	177.3	0	0	112	G301	G301-E303 PolarHBondContact O-N 3.5Å
304	I	75.5	Confident	81.9	Confident	49 Å²	49	43.8 Å²	43.8	25%	0.251	22%	0.218	S	C	.	.	S	Bend	trans	-103.4	122.1	174.5	-54.9	-59.9	0	0	0	108.6	E293 M296 Y297 G301 N302 T309	E293-I304 HydrophobicContact CG-CG2 4.01Å; M296-I304 HydrophobicContact CB-CD1 4.26Å; M296-I304 HydrophobicContact CB-CG1 3.99Å; Y297-I304 HydrophobicContact CD2-CB 4.12Å; Y297-I304 WeakPolarHBondContact CD2-O 3.3Å; G301-I304 PolarHBondContact O-N 3.02Å; N302-I304 PolarHBondContact O-N 2.81Å; I304-T309 HydrophobicContact CG2-CG2 4.48Å
305	I	77.8	Confident	81.1	Confident	35 Å²	35	44.9 Å²	44.9	18%	0.179	22%	0.223	C	C	.	.			trans	-131.1	120.4	-178	-56.3	171.1	0	0	0	108.6	N302 F514 P555	N302-I305 WeakPolarHBondContact O-CG1 3.22Å; I305-F514 HydrophobicContact CD1-CD2 4.14Å; I305-F514 HydrophobicContact CG2-CD2 4.17Å; I305-F514 HydrophobicContact CG2-CE2 3.89Å; I305-P555 HydrophobicContact CD1-CB 3.73Å; I305-P555 HydrophobicContact CD1-CG 3.68Å
306	S	84.3	Confident	80.2	Confident	25 Å²	25	46.5 Å²	46.5	18%	0.175	23%	0.233	C	C	.	.	S	Bend	trans	-149.2	178.4	173.8	73.9	0	0	0	0	111.1	E293 R308 T309	E293-S306 WeakPolarHBondContact OE1-CB 3.5Å; E293-S306 PolarHBondContact OE1-OG 3.23Å; S306-R308 PolarHBondContact O-N 2.78Å; S306-R308 PolarHBondContact OG-N 3.36Å; S306-T309 PolarHBondContact N-OG1 3.06Å; S306-T309 PolarHBondContact O-N 2.8Å; S306-T309 PolarHBondContact O-OG1 2.67Å
307	E	84	Confident	79.8	Confident	82 Å²	82	46.8 Å²	46.8	38%	0.383	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-58.6	-27.9	172	-76.8	-60.1	126.8	0	0	112.2	K310 N558	E307-K310 WeakPolarHBondContact O-CB 3.29Å; E307-N558 WeakPolarHBondContact OE1-CB 2.85Å; E307-N558 PolarHBondContact OE1-ND2 2.76Å
308	R	89.4	Confident	79.6	Confident	31 Å²	31	46 Å²	46	12%	0.117	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-85.5	-10	-179.4	-61.9	-166.4	-65.2	-152.2	-7.7	114.4	E259 R262 P264 L290 E293 S306 K310	E259-R308 VanDerWaalsContact O-CD 3.26Å; E259-R308 WeakPolarHBondContact O-CD 3.27Å; R262-R308 WeakPolarHBondContact CB-O 3.33Å; P264-R308 HydrophobicContact CG-CB 4.19Å; L290-R308 VanDerWaalsContact CD2-NH2 3.27Å; E293-R308 IonicContact OE2-CZ 3.17Å; E293-R308 IonicContact OE2-NE 2.68Å; E293-R308 PolarHBondContact OE2-NE 3.02Å; E293-R308 IonicContact OE2-NH2 3.8Å; E293-R308 PolarHBondContact OE2-NH2 3.3Å; S306-R308 PolarHBondContact O-N 2.78Å; S306-R308 PolarHBondContact OG-N 3.36Å; R308-K310 VanDerWaalsContact C-N 3.34Å
309	T	86	Confident	79.6	Confident	7 Å²	7	44.3 Å²	44.3	4%	0.043	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-91.3	-2.9	174	61.2	0	0	0	0	112.4	P264 Y297 I304 S306 R605	P264-T309 HydrophobicContact CB-CG2 3.95Å; P264-T309 HydrophobicContact CG-CG2 4.14Å; Y297-T309 HydrophobicContact CD2-CG2 3.45Å; Y297-T309 VanDerWaalsContact CD2-CG2 3.45Å; Y297-T309 HydrophobicContact CE2-CG2 3.86Å; Y297-T309 HydrophobicContact CG-CG2 4.1Å; I304-T309 HydrophobicContact CG2-CG2 4.48Å; S306-T309 PolarHBondContact N-OG1 3.06Å; S306-T309 PolarHBondContact O-N 2.8Å; S306-T309 PolarHBondContact O-OG1 2.67Å; T309-R605 PolarHBondContact O-NH2 2.7Å
310	K	85.5	Confident	79.9	Confident	21 Å²	21	37.8 Å²	37.8	9%	0.091	19%	0.188	C	C	.	.	S	Bend	trans	-86.5	122.4	177.7	178.3	-174.1	175.7	-170.6	0	110.2	D225 R262 L265 E307 R308 N557	D225-K310 IonicContact OD1-NZ 3.13Å; D225-K310 IonicContact OD2-NZ 2.61Å; D225-K310 PolarHBondContact OD2-NZ 2.67Å; R262-K310 WeakPolarHBondContact CD-O 3.39Å; R262-K310 PolarHBondContact NH1-O 3.03Å; L265-K310 WeakPolarHBondContact CD1-O 3.18Å; E307-K310 WeakPolarHBondContact O-CB 3.29Å; R308-K310 VanDerWaalsContact C-N 3.34Å; K310-N557 HydrophobicContact CD-CB 4.3Å; K310-N557 HydrophobicContact CG-CB 4.16Å
311	P	84.4	Confident	80.6	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-62.9	154.2	174.9	-25.1	36.7	0	0	0	114.2	R262 L265 E315 Q317 E319	R262-P311 PolarHBondContact NH1-O 3.49Å; L265-P311 HydrophobicContact CD1-CB 4.47Å; P311-E315 VanDerWaalsContact CA-OE2 3.28Å; P311-E315 WeakPolarHBondContact CA-OE2 3.36Å; P311-E315 WeakPolarHBondContact CB-OE2 2.99Å; P311-Q317 WeakPolarHBondContact CB-O 3.12Å; P311-E319 HydrophobicContact CG-CB 4.48Å
312	R	86	Confident	81.4	Confident	1 Å²	1	35.4 Å²	35.4	0%	0.004	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-76.8	158.4	174.3	-69.9	179.5	-169	-87.2	0.6	111.2	L222 S224 E232 N260 R262 H314 E315	L222-R312 PolarHBondContact O-NH1 3.1Å; L222-R312 PolarHBondContact O-NH2 3.23Å; L222-R312 VanDerWaalsContact O-NH2 3.16Å; S224-R312 PolarHBondContact O-NH1 3.32Å; E232-R312 IonicContact OE1-CZ 2.67Å; E232-R312 IonicContact OE1-NE 3.58Å; E232-R312 PolarHBondContact OE1-NE 3Å; E232-R312 IonicContact OE1-NH2 3.67Å; E232-R312 PolarHBondContact OE1-NH2 3.46Å; E232-R312 WeakPolarHBondContact OE2-CD 3.35Å; E232-R312 IonicContact OE2-CZ 2.78Å; E232-R312 IonicContact OE2-NE 3.84Å; E232-R312 PolarHBondContact OE2-NE 3.02Å; E232-R312 IonicContact OE2-NH2 3.75Å; N260-R312 PolarHBondContact O-NH2 2.96Å; R262-R312 VanDerWaalsContact NH1-CG 3.3Å; R312-H314 PolarHBondContact O-N 3.4Å; R312-H314 VanDerWaalsContact O-N 3.17Å; R312-E315 HydrophobicContact CB-CB 4.4Å; R312-E315 PolarHBondContact N-OE2 3.03Å; R312-E315 VanDerWaalsContact N-OE2 3.11Å; R312-E315 WeakPolarHBondContact O-CB 3.5Å; R312-E315 PolarHBondContact O-N 2.83Å
313	M	80.5	Confident	82.5	Confident	51 Å²	51	33.7 Å²	33.7	25%	0.251	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.2	-177.8	-87.1	-84.5	-83	0	0	114.2	D225 L343 R344	D225-M313 WeakPolarHBondContact O-CB 3.4Å; D225-M313 PolarHBondContact O-N 3.44Å; M313-L343 HydrophobicContact CG-CD1 4.14Å; M313-L343 HydrophobicContact CG-CD2 4.02Å; M313-L343 HydrophobicContact CG-CG 4.03Å; M313-L343 HydrophobicContact SD-CD1 3.91Å; M313-L343 HydrophobicContact SD-CD2 3.97Å; M313-L343 HydrophobicContact SD-CG 3.47Å; M313-L343 WeakPolarHBondContact SD-CG 3.45Å; M313-R344 PolarHBondContact O-NE 3.18Å; M313-R344 PolarHBondContact O-NH2 3.5Å
314	H	76.2	Confident	83.7	Confident	83 Å²	83	30.3 Å²	30.3	38%	0.384	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-0.2	-176.3	-65	-69.3	0	0	0	113.9	D226 Y228 V229 R312	D226-H314 PolarHBondContact O-CD2 3.33Å; Y228-H314 HydrophobicContact CD2-CB 4.09Å; Y228-H314 AromaticContact CD2-CD2 3.77Å; Y228-H314 AromaticContact CD2-CE1 3.89Å; Y228-H314 AromaticContact CD2-CG 3.55Å; Y228-H314 AromaticContact CD2-ND1 3.64Å; Y228-H314 AromaticContact CD2-NE2 3.98Å; Y228-H314 HydrophobicContact CE2-CB 4.47Å; Y228-H314 AromaticContact CE2-ND1 3.78Å; V229-H314 CarbonylContact O-C 3.6Å; R312-H314 PolarHBondContact O-N 3.4Å; R312-H314 VanDerWaalsContact O-N 3.17Å
315	E	74.8	Confident	84.5	Confident	22 Å²	22	28 Å²	28	10%	0.103	13%	0.133	C	C	.	.	S	Bend	trans	-66.1	145.6	175.8	-166.3	174.8	170.1	0	0	110.7	V229 P311 R312 Q317 R344	V229-E315 PolarHBondContact O-N 3.3Å; P311-E315 VanDerWaalsContact CA-OE2 3.28Å; P311-E315 WeakPolarHBondContact CA-OE2 3.36Å; P311-E315 WeakPolarHBondContact CB-OE2 2.99Å; R312-E315 HydrophobicContact CB-CB 4.4Å; R312-E315 PolarHBondContact N-OE2 3.03Å; R312-E315 VanDerWaalsContact N-OE2 3.11Å; R312-E315 WeakPolarHBondContact O-CB 3.5Å; R312-E315 PolarHBondContact O-N 2.83Å; E315-Q317 PolarHBondContact O-N 3.45Å; E315-Q317 VanDerWaalsContact O-N 3.16Å; E315-R344 PolarHBondContact O-NH2 2.85Å
316	F	71.6	Confident	85.1	Confident	120 Å²	120	26.3 Å²	26.3	53%	0.526	12%	0.124	S	C	.	.	S	Bend	trans	-61.4	-27.8	-175.3	-178.1	-107.4	0	0	0	113.7	S607 Y608 T609	F316-S607 WeakPolarHBondContact O-CA 3.48Å; F316-Y608 PolarHBondContact O-N 2.91Å; F316-T609 HydrophobicContact CE1-CG2 4.18Å; F316-T609 HydrophobicContact CE2-CG2 3.63Å; F316-T609 HydrophobicContact CZ-CG2 3.17Å
317	Q	77.9	Confident	85.3	Confident	79 Å²	79	25.6 Å²	25.6	37%	0.369	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139	177.7	-59.3	-172.1	0.5	0	0	110.6	P311 E315	P311-Q317 WeakPolarHBondContact CB-O 3.12Å; E315-Q317 PolarHBondContact O-N 3.45Å; E315-Q317 VanDerWaalsContact O-N 3.16Å
318	S	82.6	Confident	85.5	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.2	166.6	-144.9	0	0	0	0	110.8	D341 R344 R605 K606 Y608	S318-D341 VanDerWaalsContact CB-OD2 3.25Å; S318-D341 WeakPolarHBondContact CB-OD2 3.26Å; S318-D341 VanDerWaalsContact OG-CG 3.26Å; S318-D341 PolarHBondContact OG-OD1 2.97Å; S318-D341 PolarHBondContact OG-OD2 3.42Å; S318-R344 PolarHBondContact OG-NH1 3.29Å; S318-R605 CarbonylContact O-C 3.59Å; S318-R605 VanDerWaalsContact O-CA 3.24Å; S318-R605 WeakPolarHBondContact O-CA 3.48Å; S318-K606 PolarHBondContact N-O 3.21Å; S318-K606 PolarHBondContact O-N 3.49Å; S318-Y608 VanDerWaalsContact CB-CE2 3.44Å
319	E	86.7	Confident	85	Confident	17 Å²	17	25.8 Å²	25.8	8%	0.079	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.2	159.3	-164.6	171.9	-138.2	0	0	109.6	P311 N557 T603	P311-E319 HydrophobicContact CG-CB 4.48Å; E319-N557 PolarHBondContact OE2-N 2.74Å; E319-T603 VanDerWaalsContact CD-CG2 3.48Å; E319-T603 HydrophobicContact CG-CG2 3.26Å; E319-T603 VanDerWaalsContact OE1-CG2 3.26Å; E319-T603 WeakPolarHBondContact OE1-CG2 3.18Å
320	V	88.3	Confident	84.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.6	-178.1	-55.9	0	0	0	0	109.3	C339 L340 D341 T603 I604 K606 Y608	V320-C339 HydrophobicContact CB-CB 4.27Å; V320-C339 HydrophobicContact CG2-CB 3.94Å; V320-L340 WeakPolarHBondContact CA-O 3.26Å; V320-L340 WeakPolarHBondContact CB-O 2.96Å; V320-D341 HydrophobicContact CG1-CB 4.16Å; V320-T603 WeakPolarHBondContact O-CA 3.39Å; V320-I604 HydrophobicContact CG2-CD1 4.28Å; V320-I604 HydrophobicContact CG2-CG1 3.6Å; V320-I604 WeakPolarHBondContact CG2-O 3.41Å; V320-I604 PolarHBondContact N-O 3.3Å; V320-I604 PolarHBondContact O-N 3.25Å; V320-I604 VanDerWaalsContact O-O 3.09Å; V320-K606 HydrophobicContact CG1-CB 4.42Å; V320-K606 HydrophobicContact CG2-CB 3.92Å; V320-Y608 HydrophobicContact CG1-CE2 4.04Å; V320-Y608 WeakPolarHBondContact CG1-OH 3.4Å
321	F	88.4	Confident	84.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.6	167.3	61.3	-84.3	0	0	0	109.2	I323 L340 P342 Y561 T563 V576 V602	F321-I323 HydrophobicContact CD2-CD1 4.37Å; F321-I323 HydrophobicContact CD2-CG1 4.36Å; F321-I323 HydrophobicContact CE2-CD1 4.22Å; F321-L340 HydrophobicContact CD1-CB 4.14Å; F321-L340 VanDerWaalsContact CD1-O 3.29Å; F321-L340 WeakPolarHBondContact CD1-O 3.47Å; F321-L340 HydrophobicContact CD2-CB 3.97Å; F321-L340 HydrophobicContact CD2-CD1 4.2Å; F321-L340 HydrophobicContact CE1-CB 3.64Å; F321-L340 HydrophobicContact CE2-CB 3.49Å; F321-L340 VanDerWaalsContact CE2-CB 3.49Å; F321-L340 HydrophobicContact CE2-CD1 3.33Å; F321-L340 HydrophobicContact CE2-CG 4.01Å; F321-L340 HydrophobicContact CG-CB 4.29Å; F321-L340 HydrophobicContact CZ-CB 3.29Å; F321-L340 HydrophobicContact CZ-CD1 3.68Å; F321-L340 HydrophobicContact CZ-CG 4.11Å; F321-L340 PolarHBondContact N-O 2.8Å; F321-L340 PolarHBondContact O-N 2.91Å; F321-P342 HydrophobicContact CD1-CG 4.12Å; F321-P342 HydrophobicContact CE1-CB 4.05Å; F321-P342 HydrophobicContact CE1-CG 3.93Å; F321-Y561 HydrophobicContact CE1-CD1 4.25Å; F321-Y561 HydrophobicContact CE1-CE1 4.48Å; F321-T563 HydrophobicContact CD2-CG2 3.95Å; F321-T563 HydrophobicContact CE2-CG2 3.81Å; F321-V576 HydrophobicContact CE2-CG1 4.32Å; F321-V576 HydrophobicContact CZ-CG1 4.19Å; F321-V602 CarbonylContact C-O 3.53Å; F321-V602 WeakPolarHBondContact CA-O 3.42Å
322	M	91.4	Very high	84.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.7	-176.4	-173.9	173.4	173.1	0	0	109.1	I324 V337 T338 V350 V379 Y394 W401 S601 V602 I604	M322-I324 HydrophobicContact CE-CD1 4.47Å; M322-I324 HydrophobicContact CE-CG1 4.31Å; M322-I324 HydrophobicContact CG-CD1 4.4Å; M322-I324 HydrophobicContact CG-CG1 3.91Å; M322-V337 HydrophobicContact CE-CG1 3.23Å; M322-V337 HydrophobicContact CG-CG1 3.82Å; M322-V337 HydrophobicContact SD-CG1 4.32Å; M322-T338 WeakPolarHBondContact CA-O 3.24Å; M322-V350 HydrophobicContact CE-CG2 3.75Å; M322-V379 HydrophobicContact SD-CG2 3.87Å; M322-Y394 HydrophobicContact CE-CD1 3.79Å; M322-Y394 HydrophobicContact CE-CE1 3.92Å; M322-Y394 HydrophobicContact CE-CG 4.15Å; M322-Y394 HydrophobicContact SD-CD1 4.41Å; M322-Y394 HydrophobicContact SD-CE1 4.44Å; M322-W401 HydrophobicContact CE-CZ2 4.31Å; M322-S601 WeakPolarHBondContact O-CA 3.47Å; M322-V602 HydrophobicContact CB-CG2 3.97Å; M322-V602 PolarHBondContact N-O 3.36Å; M322-V602 PolarHBondContact O-N 2.86Å; M322-V602 VanDerWaalsContact O-N 3.09Å; M322-V602 HydrophobicContact SD-CG2 4.49Å; M322-I604 HydrophobicContact SD-CD1 3.68Å; M322-I604 HydrophobicContact SD-CG1 4.43Å
323	I	92.3	Very high	84.5	Confident	12 Å²	12	47.4 Å²	47.4	6%	0.062	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.3	177.5	-63.5	176	0	0	0	107.3	F321 V337 T338 L340 T563 L592 V596 H599 G600	F321-I323 HydrophobicContact CD2-CD1 4.37Å; F321-I323 HydrophobicContact CD2-CG1 4.36Å; F321-I323 HydrophobicContact CE2-CD1 4.22Å; I323-V337 CarbonylContact O-C 3.54Å; I323-V337 WeakPolarHBondContact O-CA 3.45Å; I323-T338 PolarHBondContact N-O 3.35Å; I323-T338 PolarHBondContact O-N 3.26Å; I323-L340 HydrophobicContact CD1-CD1 3.64Å; I323-T563 HydrophobicContact CD1-CG2 4.25Å; I323-L592 HydrophobicContact CD1-CD1 3.79Å; I323-L592 HydrophobicContact CD1-CD2 3.15Å; I323-L592 HydrophobicContact CD1-CG 4.1Å; I323-V596 HydrophobicContact CG2-CG2 4.23Å; I323-H599 HydrophobicContact CG2-CB 4.24Å; I323-G600 WeakPolarHBondContact CA-O 3.36Å
324	I	93.9	Very high	85	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	107.2	-168.7	-51.5	170.1	0	0	0	107.8	M322 V337 L353 F370 C372 V379 W401 H599 G600 V602	M322-I324 HydrophobicContact CE-CD1 4.47Å; M322-I324 HydrophobicContact CE-CG1 4.31Å; M322-I324 HydrophobicContact CG-CD1 4.4Å; M322-I324 HydrophobicContact CG-CG1 3.91Å; I324-V337 HydrophobicContact CB-CG1 4.38Å; I324-V337 HydrophobicContact CG1-CG1 3.94Å; I324-V337 HydrophobicContact CG2-CG1 4.43Å; I324-V337 HydrophobicContact CG2-CG2 4.04Å; I324-L353 HydrophobicContact CG2-CD1 4.3Å; I324-L353 HydrophobicContact CG2-CD2 3.66Å; I324-L353 HydrophobicContact CG2-CG 4.12Å; I324-F370 HydrophobicContact CB-CZ 4.26Å; I324-F370 HydrophobicContact CG2-CE2 4.08Å; I324-F370 HydrophobicContact CG2-CZ 3.86Å; I324-F370 WeakPolarHBondContact O-CZ 3.28Å; I324-C372 HydrophobicContact CD1-CB 4.23Å; I324-V379 HydrophobicContact CD1-CG1 3.67Å; I324-W401 HydrophobicContact CG2-CZ2 4.43Å; I324-H599 WeakPolarHBondContact O-CA 3.32Å; I324-G600 PolarHBondContact N-O 3.25Å; I324-G600 PolarHBondContact O-N 2.94Å; I324-V602 HydrophobicContact CD1-CG2 3.89Å
325	G	91.9	Very high	85.7	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.01	19%	0.193	C	C	.	.			trans	58.4	-137.7	172.5	0	0	0	0	0	115.2	V334 E336 H599	G325-V334 CarbonylContact C-O 3.55Å; G325-V334 WeakPolarHBondContact CA-O 3.33Å; G325-E336 PolarHBondContact N-O 2.86Å; G325-E336 VanDerWaalsContact N-O 3.07Å; G325-H599 VanDerWaalsContact O-CB 3.26Å; G325-H599 WeakPolarHBondContact O-CB 3.42Å
326	G	90.2	Very high	86.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.202	C	C	.	.			trans	108.9	-160.5	-179.9	0	0	0	0	0	113.1	V334 S597	G326-V334 WeakPolarHBondContact O-CB 3.44Å; G326-V334 PolarHBondContact O-N 2.88Å; G326-S597 CarbonylContact C-O 3.59Å; G326-S597 WeakPolarHBondContact CA-O 3.19Å
327	C	89.1	Confident	87.5	Confident	10 Å²	10	38.1 Å²	38.1	7%	0.068	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-132.5	140.3	-177.6	-55.1	0	0	0	0	111.7	R332 S597	C327-R332 WeakPolarHBondContact CA-O 3.36Å; C327-S597 PolarHBondContact N-O 2.92Å; C327-S597 PolarHBondContact O-N 3.48Å; C327-S597 PolarHBondContact O-OG 2.95Å
328	T	87.4	Confident	88.1	Confident	16 Å²	16	35.2 Å²	35.2	10%	0.098	17%	0.165	C	C	.	.			trans	-81.2	-179.7	173.9	71	0	0	0	0	111.9	D330 E331 R332 V334 R566 R594	T328-D330 VanDerWaalsContact C-N 3.29Å; T328-D330 PolarHBondContact O-N 3.15Å; T328-E331 PolarHBondContact O-N 3.32Å; T328-E331 VanDerWaalsContact O-N 3.07Å; T328-R332 PolarHBondContact N-O 3.4Å; T328-R332 WeakPolarHBondContact OG1-CB 3.48Å; T328-R332 PolarHBondContact OG1-N 3.12Å; T328-V334 HydrophobicContact CG2-CG2 3.62Å; T328-R566 PolarHBondContact O-NH2 3.01Å; T328-R594 HydrophobicContact CG2-CG 4.35Å
329	K	80.6	Confident	88.5	Confident	100 Å²	100	35.2 Å²	35.2	44%	0.435	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-50.2	176.7	-173.9	-179.3	174.7	155.7	0	112.2	E331 R566 E571 V572	K329-E331 PolarHBondContact O-N 3.21Å; K329-E331 VanDerWaalsContact O-N 3.11Å; K329-R566 PolarHBondContact O-NH1 2.61Å; K329-E571 WeakPolarHBondContact CD-OE2 3.49Å; K329-E571 WeakPolarHBondContact CE-OE1 3.33Å; K329-E571 WeakPolarHBondContact CE-OE2 3.39Å; K329-E571 IonicContact NZ-OE1 2.79Å; K329-E571 PolarHBondContact NZ-OE1 2.82Å; K329-E571 IonicContact NZ-OE2 3.66Å; K329-E571 PolarHBondContact NZ-OE2 2.95Å; K329-V572 HydrophobicContact CB-CG2 4.01Å
330	D	81.3	Confident	88.5	Confident	110 Å²	110	35.1 Å²	35.1	59%	0.588	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	21.1	-177	-48.7	-41.1	0	0	0	113.3	T328 R332	T328-D330 VanDerWaalsContact C-N 3.29Å; T328-D330 PolarHBondContact O-N 3.15Å; D330-R332 HydrophobicContact CB-CG 4.31Å; D330-R332 PolarHBondContact O-N 2.92Å
331	E	78.4	Confident	88.4	Confident	151 Å²	151	35.3 Å²	35.3	71%	0.706	17%	0.166	S	C	*	.			trans	57.4	20.7	-177.1	-55.1	-170.6	163.7	0	0	114.4	T328 K329	T328-E331 PolarHBondContact O-N 3.32Å; T328-E331 VanDerWaalsContact O-N 3.07Å; K329-E331 PolarHBondContact O-N 3.21Å; K329-E331 VanDerWaalsContact O-N 3.11Å
332	R	84.5	Confident	88	Confident	177 Å²	177	36.3 Å²	36.3	67%	0.668	17%	0.172	S	C	*	.			trans	-73.5	133.8	174	-62.3	-175.7	-176.3	-175.4	1.9	109.9	C327 T328 D330	C327-R332 WeakPolarHBondContact CA-O 3.36Å; T328-R332 PolarHBondContact N-O 3.4Å; T328-R332 WeakPolarHBondContact OG1-CB 3.48Å; T328-R332 PolarHBondContact OG1-N 3.12Å; D330-R332 HydrophobicContact CB-CG 4.31Å; D330-R332 PolarHBondContact O-N 2.92Å
333	F	87.6	Confident	87.3	Confident	47 Å²	47	38.2 Å²	38.2	21%	0.206	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-66.6	139.6	176.8	170.5	-116.4	0	0	0	111.2	A335 L353 T356 K366 W367 V368	F333-A335 HydrophobicContact CE1-CB 3.8Å; F333-A335 HydrophobicContact CZ-CB 4.16Å; F333-L353 HydrophobicContact CE2-CD1 4Å; F333-L353 HydrophobicContact CZ-CB 4.46Å; F333-L353 HydrophobicContact CZ-CD1 3.84Å; F333-T356 HydrophobicContact CE1-CG2 3.59Å; F333-T356 HydrophobicContact CZ-CG2 3.79Å; F333-K366 HydrophobicContact CB-CB 4.35Å; F333-K366 HydrophobicContact CB-CD 4.35Å; F333-K366 HydrophobicContact CB-CG 4.14Å; F333-K366 HydrophobicContact CD1-CB 4.38Å; F333-K366 HydrophobicContact CD1-CG 4.18Å; F333-K366 HydrophobicContact CD2-CB 4.42Å; F333-K366 HydrophobicContact CG-CB 4.12Å; F333-K366 HydrophobicContact CG-CG 4.17Å; F333-W367 HydrophobicContact CE2-CB 3.7Å; F333-W367 VanDerWaalsContact CE2-N 3.32Å; F333-W367 VanDerWaalsContact CE2-O 3.29Å; F333-W367 WeakPolarHBondContact CE2-O 3.47Å; F333-W367 HydrophobicContact CZ-CB 3.96Å; F333-V368 HydrophobicContact CD2-CG2 4.21Å
334	V	89.7	Confident	86.6	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.03	19%	0.191	C	C	.	.			trans	-109.3	116.1	176.5	170.4	0	0	0	0	107.8	G325 G326 T328 E336 R594 V596	G325-V334 CarbonylContact C-O 3.55Å; G325-V334 WeakPolarHBondContact CA-O 3.33Å; G326-V334 WeakPolarHBondContact O-CB 3.44Å; G326-V334 PolarHBondContact O-N 2.88Å; T328-V334 HydrophobicContact CG2-CG2 3.62Å; V334-E336 HydrophobicContact CG1-CB 4.37Å; V334-E336 WeakPolarHBondContact CG1-OE2 3.41Å; V334-R594 VanDerWaalsContact CG2-CZ 3.43Å; V334-V596 HydrophobicContact CG2-CG1 4.31Å
335	A	91	Very high	85.8	Confident	13 Å²	13	50.2 Å²	50.2	11%	0.107	23%	0.227	C	C	.	.			trans	-89.2	-20	177.7	0	0	0	0	0	112.6	F333 K352 L353 T356	F333-A335 HydrophobicContact CE1-CB 3.8Å; F333-A335 HydrophobicContact CZ-CB 4.16Å; A335-K352 HydrophobicContact CB-CD 4.34Å; A335-L353 PolarHBondContact O-N 3.01Å; A335-T356 HydrophobicContact CB-CG2 4.1Å
336	E	91.7	Very high	85.3	Confident	61 Å²	61	51 Å²	51	29%	0.285	23%	0.232	S	C	.	.			trans	-65.4	145.4	-175.6	-64.4	78.4	-153.9	0	0	112.2	G325 V334 R594	G325-E336 PolarHBondContact N-O 2.86Å; G325-E336 VanDerWaalsContact N-O 3.07Å; V334-E336 HydrophobicContact CG1-CB 4.37Å; V334-E336 WeakPolarHBondContact CG1-OE2 3.41Å; E336-R594 IonicContact OE2-CZ 3.64Å; E336-R594 IonicContact OE2-NH2 3.14Å; E336-R594 PolarHBondContact OE2-NH2 3.13Å
337	V	92.8	Very high	85	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.006	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120	175.6	-173	0	0	0	0	108.3	M322 I323 I324 V350 L353	M322-V337 HydrophobicContact CE-CG1 3.23Å; M322-V337 HydrophobicContact CG-CG1 3.82Å; M322-V337 HydrophobicContact SD-CG1 4.32Å; I323-V337 CarbonylContact O-C 3.54Å; I323-V337 WeakPolarHBondContact O-CA 3.45Å; I324-V337 HydrophobicContact CB-CG1 4.38Å; I324-V337 HydrophobicContact CG1-CG1 3.94Å; I324-V337 HydrophobicContact CG2-CG1 4.43Å; I324-V337 HydrophobicContact CG2-CG2 4.04Å; V337-V350 HydrophobicContact CB-CG2 3.71Å; V337-V350 HydrophobicContact CG1-CG2 3.48Å; V337-V350 VanDerWaalsContact CG1-CG2 3.48Å; V337-V350 PolarHBondContact O-N 3.24Å; V337-L353 HydrophobicContact CG2-CG 4.05Å
338	T	90.8	Very high	84.8	Confident	18 Å²	18	57.4 Å²	57.4	11%	0.11	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.9	-170.9	-51.1	0	0	0	0	110.1	M322 I323 L340 R347	M322-T338 WeakPolarHBondContact CA-O 3.24Å; I323-T338 PolarHBondContact N-O 3.35Å; I323-T338 PolarHBondContact O-N 3.26Å; T338-L340 HydrophobicContact CG2-CD2 4.43Å; T338-L340 HydrophobicContact CG2-CG 4.38Å; T338-R347 HydrophobicContact CG2-CB 4.33Å
339	C	89.8	Confident	84.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.7	167.7	-62.6	0	0	0	0	109.3	V320 R347 L348	V320-C339 HydrophobicContact CB-CB 4.27Å; V320-C339 HydrophobicContact CG2-CB 3.94Å; C339-R347 CarbonylContact O-C 3.33Å; C339-R347 VanDerWaalsContact O-CA 3.25Å; C339-R347 WeakPolarHBondContact O-CA 3.29Å; C339-L348 HydrophobicContact CB-CB 4.37Å; C339-L348 PolarHBondContact N-O 3.22Å; C339-L348 PolarHBondContact O-N 3.08Å
340	L	87.6	Confident	85.3	Confident	16 Å²	16	58.2 Å²	58.2	8%	0.084	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.1	175.1	-69.7	167.6	0	0	0	109.5	V320 F321 I323 T338 P342 R347 L592	V320-L340 WeakPolarHBondContact CA-O 3.26Å; V320-L340 WeakPolarHBondContact CB-O 2.96Å; F321-L340 HydrophobicContact CD1-CB 4.14Å; F321-L340 VanDerWaalsContact CD1-O 3.29Å; F321-L340 WeakPolarHBondContact CD1-O 3.47Å; F321-L340 HydrophobicContact CD2-CB 3.97Å; F321-L340 HydrophobicContact CD2-CD1 4.2Å; F321-L340 HydrophobicContact CE1-CB 3.64Å; F321-L340 HydrophobicContact CE2-CB 3.49Å; F321-L340 VanDerWaalsContact CE2-CB 3.49Å; F321-L340 HydrophobicContact CE2-CD1 3.33Å; F321-L340 HydrophobicContact CE2-CG 4.01Å; F321-L340 HydrophobicContact CG-CB 4.29Å; F321-L340 HydrophobicContact CZ-CB 3.29Å; F321-L340 HydrophobicContact CZ-CD1 3.68Å; F321-L340 HydrophobicContact CZ-CG 4.11Å; F321-L340 PolarHBondContact N-O 2.8Å; F321-L340 PolarHBondContact O-N 2.91Å; I323-L340 HydrophobicContact CD1-CD1 3.64Å; T338-L340 HydrophobicContact CG2-CD2 4.43Å; T338-L340 HydrophobicContact CG2-CG 4.38Å; L340-P342 WeakPolarHBondContact O-CD 3.46Å; L340-R347 HydrophobicContact CD2-CB 3.59Å; L340-L592 HydrophobicContact CD1-CD2 3.3Å
341	D	86.3	Confident	85.7	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	107	173.9	-168.9	-28.5	0	0	0	108.7	S318 V320 L343 R344 R345 S346 Y608	S318-D341 VanDerWaalsContact CB-OD2 3.25Å; S318-D341 WeakPolarHBondContact CB-OD2 3.26Å; S318-D341 VanDerWaalsContact OG-CG 3.26Å; S318-D341 PolarHBondContact OG-OD1 2.97Å; S318-D341 PolarHBondContact OG-OD2 3.42Å; V320-D341 HydrophobicContact CG1-CB 4.16Å; D341-L343 VanDerWaalsContact C-N 3.29Å; D341-L343 WeakPolarHBondContact OD1-CA 3.48Å; D341-L343 VanDerWaalsContact OD1-CB 3.29Å; D341-L343 WeakPolarHBondContact OD1-CB 3.48Å; D341-L343 PolarHBondContact OD1-N 3.25Å; D341-R344 HydrophobicContact CB-CB 4.32Å; D341-R344 PolarHBondContact OD1-N 2.85Å; D341-R344 WeakPolarHBondContact OD2-CB 3.34Å; D341-R344 WeakPolarHBondContact OD2-CG 3.48Å; D341-R344 IonicContact OD2-NH1 3.47Å; D341-R344 PolarHBondContact OD2-NH1 3.2Å; D341-R345 WeakPolarHBondContact O-CA 3.5Å; D341-R345 PolarHBondContact O-N 3.44Å; D341-S346 WeakPolarHBondContact CB-OG 3.37Å; D341-S346 PolarHBondContact N-O 2.87Å; D341-S346 PolarHBondContact O-N 3.44Å; D341-S346 VanDerWaalsContact O-N 3.15Å; D341-Y608 VanDerWaalsContact CB-OH 3.29Å; D341-Y608 WeakPolarHBondContact CB-OH 3.39Å
342	P	79.4	Confident	86.5	Confident	22 Å²	22	50.5 Å²	50.5	14%	0.143	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-29	177.8	26.9	-28.4	0	0	0	111.8	F321 L340 Y561	F321-P342 HydrophobicContact CD1-CG 4.12Å; F321-P342 HydrophobicContact CE1-CB 4.05Å; F321-P342 HydrophobicContact CE1-CG 3.93Å; L340-P342 WeakPolarHBondContact O-CD 3.46Å; P342-Y561 HydrophobicContact CB-CE1 3.76Å; P342-Y561 VanDerWaalsContact CB-OH 3.26Å; P342-Y561 WeakPolarHBondContact CB-OH 3.46Å; P342-Y561 HydrophobicContact CG-CE1 4.26Å; P342-Y561 HydrophobicContact CG-CE2 4.22Å
343	L	76.5	Confident	86.9	Confident	39 Å²	39	42.2 Å²	42.2	20%	0.204	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-48.1	-177.8	-172.8	69.4	0	0	0	110.3	M313 D341	M313-L343 HydrophobicContact CG-CD1 4.14Å; M313-L343 HydrophobicContact CG-CD2 4.02Å; M313-L343 HydrophobicContact CG-CG 4.03Å; M313-L343 HydrophobicContact SD-CD1 3.91Å; M313-L343 HydrophobicContact SD-CD2 3.97Å; M313-L343 HydrophobicContact SD-CG 3.47Å; M313-L343 WeakPolarHBondContact SD-CG 3.45Å; D341-L343 VanDerWaalsContact C-N 3.29Å; D341-L343 WeakPolarHBondContact OD1-CA 3.48Å; D341-L343 VanDerWaalsContact OD1-CB 3.29Å; D341-L343 WeakPolarHBondContact OD1-CB 3.48Å; D341-L343 PolarHBondContact OD1-N 3.25Å
344	R	77.3	Confident	87.1	Confident	66 Å²	66	40.4 Å²	40.4	25%	0.249	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.4	178.8	-59.7	-168.9	180	87.6	-4	114.7	M313 E315 S318 D341 S346	M313-R344 PolarHBondContact O-NE 3.18Å; M313-R344 PolarHBondContact O-NH2 3.5Å; E315-R344 PolarHBondContact O-NH2 2.85Å; S318-R344 PolarHBondContact OG-NH1 3.29Å; D341-R344 HydrophobicContact CB-CB 4.32Å; D341-R344 PolarHBondContact OD1-N 2.85Å; D341-R344 WeakPolarHBondContact OD2-CB 3.34Å; D341-R344 WeakPolarHBondContact OD2-CG 3.48Å; D341-R344 IonicContact OD2-NH1 3.47Å; D341-R344 PolarHBondContact OD2-NH1 3.2Å; R344-S346 PolarHBondContact O-N 2.79Å
345	R	78.9	Confident	87	Confident	199 Å²	199	42.8 Å²	42.8	75%	0.751	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	44.7	-173.1	-62.1	-178.2	171.8	-177.4	-3.9	112.2	D341	D341-R345 WeakPolarHBondContact O-CA 3.5Å; D341-R345 PolarHBondContact O-N 3.44Å
346	S	79.7	Confident	86.7	Confident	17 Å²	17	42.9 Å²	42.9	12%	0.119	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	160	-175.7	78.8	0	0	0	0	111.4	D341 R344 Y608	D341-S346 WeakPolarHBondContact CB-OG 3.37Å; D341-S346 PolarHBondContact N-O 2.87Å; D341-S346 PolarHBondContact O-N 3.44Å; D341-S346 VanDerWaalsContact O-N 3.15Å; R344-S346 PolarHBondContact O-N 2.79Å; S346-Y608 WeakPolarHBondContact OG-CE1 3.32Å
347	R	84.3	Confident	86.2	Confident	99 Å²	99	46.2 Å²	46.2	37%	0.374	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	148.4	175.7	85.3	-166.7	167.7	-175.5	2.6	110.4	T338 C339 L340 I614	T338-R347 HydrophobicContact CG2-CB 4.33Å; C339-R347 CarbonylContact O-C 3.33Å; C339-R347 VanDerWaalsContact O-CA 3.25Å; C339-R347 WeakPolarHBondContact O-CA 3.29Å; L340-R347 HydrophobicContact CD2-CB 3.59Å; R347-I614 HydrophobicContact CB-CD1 3.62Å; R347-I614 VanDerWaalsContact CD-CD1 3.42Å; R347-I614 HydrophobicContact CG-CD1 3.33Å; R347-I614 HydrophobicContact CG-CG1 3.88Å
348	L	85.4	Confident	85.4	Confident	46 Å²	46	49.7 Å²	49.7	24%	0.241	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	126.3	175.7	176.6	63.8	0	0	0	109.1	C339 V350 K606	C339-L348 HydrophobicContact CB-CB 4.37Å; C339-L348 PolarHBondContact N-O 3.22Å; C339-L348 PolarHBondContact O-N 3.08Å; L348-V350 HydrophobicContact CD2-CG1 4.43Å; L348-V350 HydrophobicContact CG-CG1 4.3Å; L348-K606 HydrophobicContact CD2-CD 3.87Å; L348-K606 VanDerWaalsContact CD2-CE 3.47Å
349	E	88.3	Confident	84.7	Confident	121 Å²	121	58.3 Å²	58.3	57%	0.565	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	137.2	168.2	-70.6	177.8	-170.7	0	0	109.6
350	V	90.2	Very high	83.9	Confident	12 Å²	12	63 Å²	63	7%	0.073	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-178.5	-179.6	-61.4	0	0	0	0	109.5	M322 V337 L348 K352 Y394 N399 K606	M322-V350 HydrophobicContact CE-CG2 3.75Å; V337-V350 HydrophobicContact CB-CG2 3.71Å; V337-V350 HydrophobicContact CG1-CG2 3.48Å; V337-V350 VanDerWaalsContact CG1-CG2 3.48Å; V337-V350 PolarHBondContact O-N 3.24Å; L348-V350 HydrophobicContact CD2-CG1 4.43Å; L348-V350 HydrophobicContact CG-CG1 4.3Å; V350-K352 PolarHBondContact O-N 2.78Å; V350-Y394 HydrophobicContact CB-CE2 4.5Å; V350-Y394 WeakPolarHBondContact CB-OH 3.04Å; V350-N399 WeakPolarHBondContact CB-OD1 3.28Å; V350-K606 HydrophobicContact CG1-CD 4.33Å; V350-K606 VanDerWaalsContact CG1-CE 3.42Å
351	A	90.6	Very high	83.1	Confident	24 Å²	24	70.5 Å²	70.5	20%	0.198	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-49.4	126.5	179.1	0	0	0	0	0	111.4	Y394 N399 W401	A351-Y394 HydrophobicContact CB-CE2 4.03Å; A351-N399 WeakPolarHBondContact CB-O 3.12Å; A351-N399 PolarHBondContact N-OD1 3.45Å; A351-W401 PolarHBondContact O-NE1 2.83Å; A351-W401 VanDerWaalsContact O-NE1 3.08Å
352	K	93.6	Very high	82.4	Confident	74 Å²	74	75.4 Å²	75.4	32%	0.322	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-60.7	164.3	175.7	-63.1	-164.5	-163.9	154.6	0	110.7	A335 V350 E357 W401	A335-K352 HydrophobicContact CB-CD 4.34Å; V350-K352 PolarHBondContact O-N 2.78Å; K352-E357 HydrophobicContact CD-CG 4.13Å; K352-E357 VanDerWaalsContact CD-OE1 3.24Å; K352-E357 WeakPolarHBondContact CD-OE1 3.39Å; K352-E357 WeakPolarHBondContact CE-OE1 3.45Å; K352-E357 IonicContact NZ-OE1 2.7Å; K352-E357 PolarHBondContact NZ-OE1 3.48Å; K352-W401 PolarHBondContact O-NE1 3.16Å
353	L	93.2	Very high	82.2	Confident	4 Å²	4	79.5 Å²	79.5	2%	0.021	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-55.1	149.3	179.4	-82.7	162.3	0	0	0	112.1	I324 F333 A335 V337 T356 W367 I381 W401	I324-L353 HydrophobicContact CG2-CD1 4.3Å; I324-L353 HydrophobicContact CG2-CD2 3.66Å; I324-L353 HydrophobicContact CG2-CG 4.12Å; F333-L353 HydrophobicContact CE2-CD1 4Å; F333-L353 HydrophobicContact CZ-CB 4.46Å; F333-L353 HydrophobicContact CZ-CD1 3.84Å; A335-L353 PolarHBondContact O-N 3.01Å; V337-L353 HydrophobicContact CG2-CG 4.05Å; L353-T356 HydrophobicContact CB-CG2 3.76Å; L353-T356 WeakPolarHBondContact O-CG2 3.41Å; L353-T356 PolarHBondContact O-OG1 2.85Å; L353-W367 HydrophobicContact CB-CG 4.4Å; L353-W367 HydrophobicContact CD1-CB 3.93Å; L353-W367 HydrophobicContact CD1-CG 4.27Å; L353-W367 HydrophobicContact CD2-CB 4.46Å; L353-W367 HydrophobicContact CD2-CD2 4.3Å; L353-W367 HydrophobicContact CD2-CG 4.13Å; L353-I381 HydrophobicContact CD2-CD1 3.55Å; L353-W401 HydrophobicContact CD2-CZ2 4.35Å
354	P	92.3	Very high	82.3	Confident	8 Å²	8	79.8 Å²	79.8	5%	0.052	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	143	-177.7	-19	29	0	0	0	112.7	T356 W367 I381 W392 W401	P354-T356 VanDerWaalsContact C-N 3.28Å; P354-T356 PolarHBondContact O-N 2.7Å; P354-W367 HydrophobicContact CB-CZ2 4.24Å; P354-W367 HydrophobicContact CG-CZ2 4.08Å; P354-W367 PolarHBondContact O-NE1 3.17Å; P354-I381 HydrophobicContact CG-CD1 4.1Å; P354-W392 HydrophobicContact CB-CD2 3.4Å; P354-W392 HydrophobicContact CB-CE3 3.63Å; P354-W392 HydrophobicContact CB-CG 3.98Å; P354-W392 HydrophobicContact CB-CH2 3.87Å; P354-W392 HydrophobicContact CB-CZ2 3.65Å; P354-W392 HydrophobicContact CB-CZ3 3.86Å; P354-W392 HydrophobicContact CG-CB 3.86Å; P354-W392 HydrophobicContact CG-CD2 3.35Å; P354-W392 HydrophobicContact CG-CE3 3.64Å; P354-W392 HydrophobicContact CG-CG 3.48Å; P354-W392 VanDerWaalsContact CG-CG 3.48Å; P354-W392 HydrophobicContact CG-CZ3 4.34Å; P354-W401 HydrophobicContact CG-CB 3.76Å; P354-W401 HydrophobicContact CG-CD2 3.95Å; P354-W401 HydrophobicContact CG-CE3 4.23Å; P354-W401 HydrophobicContact CG-CG 3.75Å
355	L	87.6	Confident	82.6	Confident	56 Å²	56	79.8 Å²	79.8	29%	0.293	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	33.9	174.6	-50.6	172.8	0	0	0	113.5	H358 N364 K365 W392	L355-H358 WeakPolarHBondContact CD2-NE2 3.15Å; L355-N364 WeakPolarHBondContact O-CA 3.32Å; L355-K365 HydrophobicContact CB-CB 4.34Å; L355-K365 HydrophobicContact CB-CD 4.44Å; L355-K365 HydrophobicContact CB-CG 4.3Å; L355-K365 HydrophobicContact CD1-CD 3.79Å; L355-K365 HydrophobicContact CD1-CG 4.45Å; L355-K365 PolarHBondContact O-N 2.71Å; L355-W392 HydrophobicContact CD1-CZ2 3.98Å; L355-W392 HydrophobicContact CD2-CZ2 4.48Å; L355-W392 HydrophobicContact CG-CH2 4.44Å; L355-W392 HydrophobicContact CG-CZ2 3.98Å
356	T	84.7	Confident	83	Confident	14 Å²	14	75.1 Å²	75.1	9%	0.086	37%	0.37	C	S	.	.			trans	-113.4	2.1	178.3	68.1	0	0	0	0	114.2	F333 A335 L353 P354 N364	F333-T356 HydrophobicContact CE1-CG2 3.59Å; F333-T356 HydrophobicContact CZ-CG2 3.79Å; A335-T356 HydrophobicContact CB-CG2 4.1Å; L353-T356 HydrophobicContact CB-CG2 3.76Å; L353-T356 WeakPolarHBondContact O-CG2 3.41Å; L353-T356 PolarHBondContact O-OG1 2.85Å; P354-T356 VanDerWaalsContact C-N 3.28Å; P354-T356 PolarHBondContact O-N 2.7Å; T356-N364 PolarHBondContact O-OD1 3.11Å
357	E	80.9	Confident	83.4	Confident	131 Å²	131	74.3 Å²	74.3	61%	0.612	36%	0.364	S	S	*	.			trans	-128.3	38.6	-175.7	-61.1	-169.3	115.9	0	0	111.5	K352 N364	K352-E357 HydrophobicContact CD-CG 4.13Å; K352-E357 VanDerWaalsContact CD-OE1 3.24Å; K352-E357 WeakPolarHBondContact CD-OE1 3.39Å; K352-E357 WeakPolarHBondContact CE-OE1 3.45Å; K352-E357 IonicContact NZ-OE1 2.7Å; K352-E357 PolarHBondContact NZ-OE1 3.48Å; E357-N364 PolarHBondContact N-OD1 2.61Å
358	H	77	Confident	83.6	Confident	75 Å²	75	71 Å²	71	35%	0.347	36%	0.355	S	S	.	.			trans	-75.8	149.8	170.4	-71.3	-90.8	0	0	0	110.7	L355 L360 E363 N364	L355-H358 WeakPolarHBondContact CD2-NE2 3.15Å; H358-L360 PolarHBondContact O-N 2.95Å; H358-E363 HydrophobicContact CB-CB 3.87Å; H358-E363 IonicContact ND1-OE2 3.76Å; H358-N364 WeakPolarHBondContact CB-OD1 3.31Å; H358-N364 PolarHBondContact N-OD1 2.91Å
359	E	74.8	Confident	83.9	Confident	198 Å²	198	70 Å²	70	93%	0.925	35%	0.349	S	S	*	.	S	Bend	trans	-60.3	-34.4	179.6	-65.7	-175.6	169.2	0	0	112.1
360	L	72.8	Confident	84.3	Confident	98 Å²	98	65 Å²	65	51%	0.513	33%	0.326	S	S	.	.	S	Bend	trans	-94.9	118.8	173.7	-77.2	129.7	0	0	0	110.2	H358 S362 E363	H358-L360 PolarHBondContact O-N 2.95Å; L360-S362 PolarHBondContact O-N 3.37Å; L360-S362 VanDerWaalsContact O-N 3.09Å; L360-E363 HydrophobicContact CB-CG 4.01Å; L360-E363 WeakPolarHBondContact O-CB 3.32Å; L360-E363 PolarHBondContact O-N 2.94Å
361	E	71.9	Confident	84.6	Confident	175 Å²	175	64.7 Å²	64.7	82%	0.818	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-57.5	-26.8	177.9	-71.4	-174	169.3	0	0	113.6	E363 N364	E361-E363 PolarHBondContact O-N 3.06Å; E361-N364 WeakPolarHBondContact O-CB 3.32Å; E361-N364 PolarHBondContact O-N 2.88Å
362	S	71.9	Confident	84.8	Confident	106 Å²	106	64.7 Å²	64.7	74%	0.741	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-67.9	-19.6	176.5	53.8	0	0	0	0	114	L360	L360-S362 PolarHBondContact O-N 3.37Å; L360-S362 VanDerWaalsContact O-N 3.09Å
363	E	73.8	Confident	84.9	Confident	108 Å²	108	62 Å²	62	51%	0.505	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-91.4	-10.4	178.7	-61.5	-176.9	168.5	0	0	112.3	H358 L360 E361 K365	H358-E363 HydrophobicContact CB-CB 3.87Å; H358-E363 IonicContact ND1-OE2 3.76Å; L360-E363 HydrophobicContact CB-CG 4.01Å; L360-E363 WeakPolarHBondContact O-CB 3.32Å; L360-E363 PolarHBondContact O-N 2.94Å; E361-E363 PolarHBondContact O-N 3.06Å; E363-K365 PolarHBondContact O-N 2.99Å
364	N	80.2	Confident	84.9	Confident	45 Å²	45	63.2 Å²	63.2	24%	0.241	32%	0.32	C	S	.	.			trans	-71.5	122.6	179.2	-72.5	-27.3	0	0	0	110.9	L355 T356 E357 H358 E361	L355-N364 WeakPolarHBondContact O-CA 3.32Å; T356-N364 PolarHBondContact O-OD1 3.11Å; E357-N364 PolarHBondContact N-OD1 2.61Å; H358-N364 WeakPolarHBondContact CB-OD1 3.31Å; H358-N364 PolarHBondContact N-OD1 2.91Å; E361-N364 WeakPolarHBondContact O-CB 3.32Å; E361-N364 PolarHBondContact O-N 2.88Å
365	K	82.5	Confident	84.8	Confident	66 Å²	66	63.3 Å²	63.3	29%	0.287	32%	0.32	S	S	.	.			trans	-81	137.8	173.9	-69.2	-165	177.9	174.5	0	111.1	L355 E363 T387 D390	L355-K365 HydrophobicContact CB-CB 4.34Å; L355-K365 HydrophobicContact CB-CD 4.44Å; L355-K365 HydrophobicContact CB-CG 4.3Å; L355-K365 HydrophobicContact CD1-CD 3.79Å; L355-K365 HydrophobicContact CD1-CG 4.45Å; L355-K365 PolarHBondContact O-N 2.71Å; E363-K365 PolarHBondContact O-N 2.99Å; K365-T387 HydrophobicContact CB-CG2 4.03Å; K365-T387 HydrophobicContact CD-CG2 3.93Å; K365-D390 IonicContact NZ-OD1 3.58Å; K365-D390 IonicContact NZ-OD2 2.68Å; K365-D390 PolarHBondContact NZ-OD2 3.24Å
366	K	86.6	Confident	84.5	Confident	100 Å²	100	68.5 Å²	68.5	44%	0.435	34%	0.34	S	S	.	.			trans	-96.3	115.8	174.7	-58.7	176.4	-171.7	164.6	0	111.3	F333 V368 E386	F333-K366 HydrophobicContact CB-CB 4.35Å; F333-K366 HydrophobicContact CB-CD 4.35Å; F333-K366 HydrophobicContact CB-CG 4.14Å; F333-K366 HydrophobicContact CD1-CB 4.38Å; F333-K366 HydrophobicContact CD1-CG 4.18Å; F333-K366 HydrophobicContact CD2-CB 4.42Å; F333-K366 HydrophobicContact CG-CB 4.12Å; F333-K366 HydrophobicContact CG-CG 4.17Å; K366-V368 HydrophobicContact CB-CG2 4.2Å; K366-V368 PolarHBondContact O-N 2.88Å; K366-E386 WeakPolarHBondContact CB-OE2 3.37Å; K366-E386 PolarHBondContact N-OE2 3.48Å
367	W	89.6	Confident	84.5	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.349	C	S	.	.			trans	-83.5	89.9	173.5	-70.9	84.2	0	0	0	110.1	F333 L353 P354 F370 I381 T387 D390 W392	F333-W367 HydrophobicContact CE2-CB 3.7Å; F333-W367 VanDerWaalsContact CE2-N 3.32Å; F333-W367 VanDerWaalsContact CE2-O 3.29Å; F333-W367 WeakPolarHBondContact CE2-O 3.47Å; F333-W367 HydrophobicContact CZ-CB 3.96Å; L353-W367 HydrophobicContact CB-CG 4.4Å; L353-W367 HydrophobicContact CD1-CB 3.93Å; L353-W367 HydrophobicContact CD1-CG 4.27Å; L353-W367 HydrophobicContact CD2-CB 4.46Å; L353-W367 HydrophobicContact CD2-CD2 4.3Å; L353-W367 HydrophobicContact CD2-CG 4.13Å; P354-W367 HydrophobicContact CB-CZ2 4.24Å; P354-W367 HydrophobicContact CG-CZ2 4.08Å; P354-W367 PolarHBondContact O-NE1 3.17Å; W367-F370 HydrophobicContact CB-CD1 3.83Å; W367-F370 HydrophobicContact CB-CE1 4.02Å; W367-F370 HydrophobicContact CE3-CB 3.9Å; W367-F370 HydrophobicContact CE3-CD1 4.37Å; W367-F370 HydrophobicContact CE3-CD2 4.4Å; W367-F370 AromaticContact CE3-CG 3.99Å; W367-F370 HydrophobicContact CE3-CG 3.99Å; W367-F370 HydrophobicContact CZ3-CB 4.4Å; W367-F370 WeakPolarHBondContact O-CD1 3.47Å; W367-F370 WeakPolarHBondContact O-CE1 3.43Å; W367-I381 HydrophobicContact CD2-CD1 4.08Å; W367-I381 HydrophobicContact CE3-CD1 3.78Å; W367-I381 HydrophobicContact CE3-CG1 4.37Å; W367-I381 HydrophobicContact CH2-CD1 3.64Å; W367-I381 HydrophobicContact CH2-CG1 3.9Å; W367-I381 HydrophobicContact CZ2-CD1 3.9Å; W367-I381 HydrophobicContact CZ3-CB 4.24Å; W367-I381 HydrophobicContact CZ3-CD1 3.56Å; W367-I381 HydrophobicContact CZ3-CG1 3.75Å; W367-T387 HydrophobicContact CD2-CG2 3.94Å; W367-T387 HydrophobicContact CE3-CG2 4.32Å; W367-T387 HydrophobicContact CG-CG2 4.32Å; W367-T387 HydrophobicContact CH2-CG2 4.39Å; W367-T387 HydrophobicContact CZ2-CG2 4.05Å; W367-D390 HydrophobicContact CH2-CB 3.89Å; W367-D390 HydrophobicContact CZ2-CB 4.33Å; W367-W392 AromaticContact CH2-CD1 3.47Å; W367-W392 VanDerWaalsContact CH2-CD1 3.47Å; W367-W392 HydrophobicContact CH2-CG 4.35Å; W367-W392 AromaticContact CZ2-CD1 3.54Å; W367-W392 HydrophobicContact CZ2-CG 4.32Å; W367-W392 AromaticContact CZ2-NE1 3.71Å
368	V	88.8	Confident	85	Confident	30 Å²	30	66.1 Å²	66.1	18%	0.182	33%	0.329	C	S	.	.			trans	-123.9	132.8	179.9	-179.9	0	0	0	0	109.3	F333 K366 F370 G384 K385	F333-V368 HydrophobicContact CD2-CG2 4.21Å; K366-V368 HydrophobicContact CB-CG2 4.2Å; K366-V368 PolarHBondContact O-N 2.88Å; V368-F370 PolarHBondContact O-N 3.04Å; V368-G384 CarbonylContact O-C 3.31Å; V368-G384 VanDerWaalsContact O-CA 3.25Å; V368-G384 WeakPolarHBondContact O-CA 3.25Å; V368-K385 PolarHBondContact O-N 3.32Å
369	E	91.4	Very high	85.8	Confident	25 Å²	25	62.5 Å²	62.5	12%	0.117	31%	0.313	C	S	.	.	S	Bend	trans	57.9	30.4	-179.2	-60.4	172.9	156.9	0	0	114.2	W412 R413	E369-W412 HydrophobicContact CB-CB 4.49Å; E369-R413 HydrophobicContact CB-CG 3.84Å; E369-R413 HydrophobicContact CG-CG 4.04Å; E369-R413 PolarHBondContact O-N 2.96Å; E369-R413 IonicContact OE1-CZ 2.65Å; E369-R413 IonicContact OE1-NE 3.68Å; E369-R413 PolarHBondContact OE1-NE 3.37Å; E369-R413 IonicContact OE1-NH2 3.53Å; E369-R413 PolarHBondContact OE1-NH2 3.31Å; E369-R413 WeakPolarHBondContact OE2-CG 3.46Å; E369-R413 IonicContact OE2-CZ 3.35Å; E369-R413 IonicContact OE2-NE 2.62Å; E369-R413 PolarHBondContact OE2-NE 3.36Å; E369-R413 IonicContact OE2-NH2 3.23Å
370	F	95.3	Very high	86.9	Confident	17 Å²	17	53.3 Å²	53.3	8%	0.075	27%	0.27	C	S	.	.			trans	-74.8	170	169.4	68.5	-85.4	0	0	0	110.9	I324 W367 V368 C372 I381 G383	I324-F370 HydrophobicContact CB-CZ 4.26Å; I324-F370 HydrophobicContact CG2-CE2 4.08Å; I324-F370 HydrophobicContact CG2-CZ 3.86Å; I324-F370 WeakPolarHBondContact O-CZ 3.28Å; W367-F370 HydrophobicContact CB-CD1 3.83Å; W367-F370 HydrophobicContact CB-CE1 4.02Å; W367-F370 HydrophobicContact CE3-CB 3.9Å; W367-F370 HydrophobicContact CE3-CD1 4.37Å; W367-F370 HydrophobicContact CE3-CD2 4.4Å; W367-F370 AromaticContact CE3-CG 3.99Å; W367-F370 HydrophobicContact CE3-CG 3.99Å; W367-F370 HydrophobicContact CZ3-CB 4.4Å; W367-F370 WeakPolarHBondContact O-CD1 3.47Å; W367-F370 WeakPolarHBondContact O-CE1 3.43Å; V368-F370 PolarHBondContact O-N 3.04Å; F370-C372 HydrophobicContact CE2-CB 4.23Å; F370-I381 HydrophobicContact CD2-CB 4.07Å; F370-I381 HydrophobicContact CD2-CG2 4.11Å; F370-I381 HydrophobicContact CE2-CB 4.35Å; F370-I381 HydrophobicContact CE2-CG2 3.89Å; F370-G383 WeakPolarHBondContact CB-O 3.47Å
371	A	96.6	Very high	88.1	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.033	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	151.7	171.9	0	0	0	0	0	110.5	I381 S382 H414 M416	A371-I381 CarbonylContact O-C 3.55Å; A371-I381 VanDerWaalsContact O-CA 3.23Å; A371-I381 WeakPolarHBondContact O-CA 3.32Å; A371-S382 PolarHBondContact N-O 2.83Å; A371-S382 PolarHBondContact O-N 3.01Å; A371-H414 WeakPolarHBondContact CB-NE2 3.3Å; A371-M416 HydrophobicContact CB-CB 4.23Å; A371-M416 HydrophobicContact CB-CG 3.67Å; A371-M416 HydrophobicContact CB-SD 3.95Å; A371-M416 VanDerWaalsContact O-SD 3.39Å
372	C	96.1	Very high	89.3	Confident	24 Å²	24	40.3 Å²	40.3	16%	0.162	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	151.4	176	63.3	0	0	0	0	111.9	I324 F370 Y380 I381 G600 V602	I324-C372 HydrophobicContact CD1-CB 4.23Å; F370-C372 HydrophobicContact CE2-CB 4.23Å; C372-Y380 CarbonylContact C-O 3.5Å; C372-Y380 WeakPolarHBondContact CA-O 3.43Å; C372-I381 HydrophobicContact CB-CG2 3.89Å; C372-G600 WeakPolarHBondContact SG-CA 3.26Å; C372-V602 HydrophobicContact CB-CG1 4.07Å; C372-V602 VanDerWaalsContact SG-CG1 3.53Å
373	V	95.3	Very high	90.4	Very high	19 Å²	19	35.2 Å²	35.2	12%	0.115	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	153.8	174.2	72.2	0	0	0	0	111.2	Y380 M416 V418 V423	V373-Y380 PolarHBondContact N-O 3.45Å; V373-Y380 PolarHBondContact O-N 2.99Å; V373-M416 HydrophobicContact CB-CB 3.79Å; V373-M416 HydrophobicContact CG1-CB 3.79Å; V373-M416 HydrophobicContact CG1-CE 4Å; V373-M416 HydrophobicContact CG1-SD 4.46Å; V373-V418 HydrophobicContact CG1-CG2 4.06Å; V373-V418 HydrophobicContact CG2-CB 4.31Å; V373-V418 HydrophobicContact CG2-CG2 3.67Å; V373-V423 HydrophobicContact CG1-CG1 3.97Å; V373-V423 HydrophobicContact CG1-CG2 4.26Å
374	T	92.4	Very high	91.4	Very high	28 Å²	28	30.1 Å²	30.1	17%	0.172	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.3	171	-58	0	0	0	0	110.7	E378 V418 V602 T603 I604	T374-E378 CarbonylContact C-O 3.56Å; T374-E378 VanDerWaalsContact CA-O 3.3Å; T374-E378 WeakPolarHBondContact CA-O 3.29Å; T374-V418 WeakPolarHBondContact O-CG2 2.9Å; T374-V602 WeakPolarHBondContact OG1-CB 3.4Å; T374-T603 WeakPolarHBondContact CG2-O 3.47Å; T374-T603 PolarHBondContact OG1-O 2.86Å; T374-I604 HydrophobicContact CG2-CG2 3.94Å
375	L	89.9	Confident	91.9	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.058	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.9	167.4	173.8	64.7	0	0	0	108.8	N377 E378 Y380 V418 V423 P443	L375-N377 VanDerWaalsContact C-N 3.26Å; L375-N377 PolarHBondContact O-N 3.15Å; L375-E378 PolarHBondContact N-O 2.89Å; L375-E378 WeakPolarHBondContact O-CB 3.08Å; L375-E378 PolarHBondContact O-N 2.87Å; L375-Y380 HydrophobicContact CB-CD2 4.16Å; L375-Y380 HydrophobicContact CB-CE2 3.81Å; L375-Y380 HydrophobicContact CD2-CE2 4.35Å; L375-V418 HydrophobicContact CB-CG2 3.8Å; L375-V418 HydrophobicContact CD1-CG1 3.6Å; L375-V418 HydrophobicContact CD1-CG2 4.16Å; L375-V418 HydrophobicContact CG-CG2 4.47Å; L375-V423 HydrophobicContact CB-CG2 4.43Å; L375-V423 HydrophobicContact CD2-CG2 4Å; L375-P443 HydrophobicContact CD2-CB 4.43Å; L375-P443 HydrophobicContact CD2-CG 3.94Å
376	K	82.8	Confident	92.3	Very high	164 Å²	164	35 Å²	35	71%	0.713	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	44.2	177.6	-62	-177.1	176.8	-177	0	113.9	E378	K376-E378 PolarHBondContact O-N 3.34Å
377	N	84.6	Confident	92.6	Very high	53 Å²	53	30.3 Å²	30.3	28%	0.283	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	8.3	-178	-156.4	38	0	0	0	116.4	L375 I604 R605	L375-N377 VanDerWaalsContact C-N 3.26Å; L375-N377 PolarHBondContact O-N 3.15Å; N377-I604 WeakPolarHBondContact OD1-CB 3.26Å; N377-R605 PolarHBondContact ND2-O 3.34Å; N377-R605 PolarHBondContact OD1-N 3.21Å; N377-R605 PolarHBondContact OD1-O 2.93Å
378	E	90.3	Very high	92.8	Very high	42 Å²	42	33.3 Å²	33.3	20%	0.196	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	146.7	168.8	-59.1	-178.4	125.1	0	0	109.5	T374 L375 K376 Y380 K393	T374-E378 CarbonylContact C-O 3.56Å; T374-E378 VanDerWaalsContact CA-O 3.3Å; T374-E378 WeakPolarHBondContact CA-O 3.29Å; L375-E378 PolarHBondContact N-O 2.89Å; L375-E378 WeakPolarHBondContact O-CB 3.08Å; L375-E378 PolarHBondContact O-N 2.87Å; K376-E378 PolarHBondContact O-N 3.34Å; E378-Y380 HydrophobicContact CB-CE2 3.88Å; E378-Y380 PolarHBondContact OE2-OH 2.84Å; E378-Y380 VanDerWaalsContact OE2-OH 3.1Å; E378-K393 HydrophobicContact CB-CD 4.35Å; E378-K393 HydrophobicContact CB-CG 4.22Å; E378-K393 WeakPolarHBondContact OE1-CE 3.44Å; E378-K393 IonicContact OE1-NZ 3.06Å; E378-K393 PolarHBondContact OE1-NZ 3.33Å; E378-K393 WeakPolarHBondContact OE2-CD 3.41Å; E378-K393 IonicContact OE2-NZ 2.76Å; E378-K393 PolarHBondContact OE2-NZ 2.89Å
379	V	95.2	Very high	93.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.3	177.8	-178.5	0	0	0	0	109.5	M322 I324 K393 Y394 W401 V602 I604	M322-V379 HydrophobicContact SD-CG2 3.87Å; I324-V379 HydrophobicContact CD1-CG1 3.67Å; V379-K393 CarbonylContact O-C 3.54Å; V379-K393 WeakPolarHBondContact O-CA 3.4Å; V379-Y394 HydrophobicContact CG2-CD1 4.43Å; V379-Y394 PolarHBondContact N-O 2.94Å; V379-Y394 PolarHBondContact O-N 2.81Å; V379-W401 HydrophobicContact CG1-CH2 4.34Å; V379-V602 HydrophobicContact CB-CG2 4.49Å; V379-V602 HydrophobicContact CG1-CG2 3.9Å; V379-V602 HydrophobicContact CG2-CG2 3.76Å; V379-I604 HydrophobicContact CG2-CG2 3.47Å; V379-I604 VanDerWaalsContact CG2-CG2 3.47Å
380	Y	96.8	Very high	93.4	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.9	174.7	-66.5	-106.1	0	0	0	108.5	C372 V373 L375 E378 W392 K393 I404 Y441	C372-Y380 CarbonylContact C-O 3.5Å; C372-Y380 WeakPolarHBondContact CA-O 3.43Å; V373-Y380 PolarHBondContact N-O 3.45Å; V373-Y380 PolarHBondContact O-N 2.99Å; L375-Y380 HydrophobicContact CB-CD2 4.16Å; L375-Y380 HydrophobicContact CB-CE2 3.81Å; L375-Y380 HydrophobicContact CD2-CE2 4.35Å; E378-Y380 HydrophobicContact CB-CE2 3.88Å; E378-Y380 PolarHBondContact OE2-OH 2.84Å; E378-Y380 VanDerWaalsContact OE2-OH 3.1Å; Y380-W392 CarbonylContact C-O 3.59Å; Y380-W392 WeakPolarHBondContact CA-O 3.29Å; Y380-K393 HydrophobicContact CD1-CB 4.2Å; Y380-K393 HydrophobicContact CD1-CD 4.49Å; Y380-K393 HydrophobicContact CD1-CG 4.24Å; Y380-K393 HydrophobicContact CD2-CG 4.47Å; Y380-K393 HydrophobicContact CE1-CB 4.06Å; Y380-K393 HydrophobicContact CE1-CD 3.62Å; Y380-K393 HydrophobicContact CE1-CG 3.84Å; Y380-K393 HydrophobicContact CE2-CD 4.03Å; Y380-K393 HydrophobicContact CE2-CG 4.06Å; Y380-K393 WeakPolarHBondContact OH-CD 3.27Å; Y380-I404 HydrophobicContact CD1-CD1 3.64Å; Y380-I404 HydrophobicContact CE1-CD1 3.7Å; Y380-Y441 HydrophobicContact CD1-CE1 4.48Å; Y380-Y441 HydrophobicContact CE1-CD1 4.39Å; Y380-Y441 AromaticContact CE1-CE1 3.82Å; Y380-Y441 HydrophobicContact CE1-CE1 3.82Å
381	I	97.6	Very high	93.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	145.9	168.7	64.2	178.2	0	0	0	109.2	L353 P354 W367 F370 A371 C372 V391 W392 W401	L353-I381 HydrophobicContact CD2-CD1 3.55Å; P354-I381 HydrophobicContact CG-CD1 4.1Å; W367-I381 HydrophobicContact CD2-CD1 4.08Å; W367-I381 HydrophobicContact CE3-CD1 3.78Å; W367-I381 HydrophobicContact CE3-CG1 4.37Å; W367-I381 HydrophobicContact CH2-CD1 3.64Å; W367-I381 HydrophobicContact CH2-CG1 3.9Å; W367-I381 HydrophobicContact CZ2-CD1 3.9Å; W367-I381 HydrophobicContact CZ3-CB 4.24Å; W367-I381 HydrophobicContact CZ3-CD1 3.56Å; W367-I381 HydrophobicContact CZ3-CG1 3.75Å; F370-I381 HydrophobicContact CD2-CB 4.07Å; F370-I381 HydrophobicContact CD2-CG2 4.11Å; F370-I381 HydrophobicContact CE2-CB 4.35Å; F370-I381 HydrophobicContact CE2-CG2 3.89Å; A371-I381 CarbonylContact O-C 3.55Å; A371-I381 VanDerWaalsContact O-CA 3.23Å; A371-I381 WeakPolarHBondContact O-CA 3.32Å; C372-I381 HydrophobicContact CB-CG2 3.89Å; I381-V391 WeakPolarHBondContact O-CA 3.31Å; I381-V391 WeakPolarHBondContact O-CG1 3.5Å; I381-W392 HydrophobicContact CD1-CB 4.12Å; I381-W392 HydrophobicContact CG1-CB 3.78Å; I381-W392 PolarHBondContact N-O 3.32Å; I381-W392 PolarHBondContact O-N 3.07Å; I381-W401 HydrophobicContact CB-CZ3 4.26Å; I381-W401 HydrophobicContact CD1-CE3 4.01Å; I381-W401 HydrophobicContact CD1-CH2 3.92Å; I381-W401 HydrophobicContact CD1-CZ3 3.62Å; I381-W401 HydrophobicContact CG1-CE3 4.22Å; I381-W401 HydrophobicContact CG1-CH2 4.24Å; I381-W401 HydrophobicContact CG1-CZ3 3.63Å; I381-W401 HydrophobicContact CG2-CH2 3.65Å; I381-W401 HydrophobicContact CG2-CZ3 3.76Å
382	S	97.4	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	150	176.5	67	0	0	0	0	113.1	A371 D390 H414 M416	A371-S382 PolarHBondContact N-O 2.83Å; A371-S382 PolarHBondContact O-N 3.01Å; S382-D390 CarbonylContact C-O 3.59Å; S382-D390 WeakPolarHBondContact CA-O 3.48Å; S382-H414 PolarHBondContact O-CE1 2.83Å; S382-H414 PolarHBondContact O-NE2 3.13Å; S382-H414 VanDerWaalsContact O-NE2 3.11Å; S382-H414 PolarHBondContact OG-NE2 3.16Å; S382-M416 PolarHBondContact OG-SD 3.2Å
383	G	96.1	Very high	93.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.171	C	C	.	.			trans	61.6	-160	172.2	0	0	0	0	0	113.4	F370 T387 Q388 D390 R411	F370-G383 WeakPolarHBondContact CB-O 3.47Å; G383-T387 CarbonylContact C-O 3.55Å; G383-T387 VanDerWaalsContact C-O 3.31Å; G383-T387 WeakPolarHBondContact CA-O 3.06Å; G383-T387 PolarHBondContact O-OG1 3.47Å; G383-Q388 WeakPolarHBondContact CA-O 3.44Å; G383-D390 PolarHBondContact N-O 2.91Å; G383-R411 WeakPolarHBondContact CA-O 3.42Å
384	G	94.2	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.			trans	123.3	171.9	-174	0	0	0	0	0	111.9	V368 E386 T387 Q388 R411	V368-G384 CarbonylContact O-C 3.31Å; V368-G384 VanDerWaalsContact O-CA 3.25Å; V368-G384 WeakPolarHBondContact O-CA 3.25Å; G384-E386 PolarHBondContact O-N 2.95Å; G384-T387 WeakPolarHBondContact CA-OG1 3.5Å; G384-T387 PolarHBondContact O-N 3.49Å; G384-Q388 VanDerWaalsContact O-CA 3.32Å; G384-Q388 WeakPolarHBondContact O-CA 3.32Å; G384-Q388 WeakPolarHBondContact O-CG 3.46Å; G384-Q388 PolarHBondContact O-N 3.21Å; G384-R411 PolarHBondContact N-O 2.95Å
385	K	91	Very high	93.4	Very high	114 Å²	114	36.2 Å²	36.2	50%	0.496	17%	0.166	S	C	.	.	S	Bend	trans	-61.2	-44.1	-169.6	-168.6	176.2	176.6	-174.9	0	113.8	V368 Q388 W412	V368-K385 PolarHBondContact O-N 3.32Å; K385-Q388 PolarHBondContact O-NE2 3.25Å; K385-W412 VanDerWaalsContact CA-CE3 3.4Å; K385-W412 HydrophobicContact CB-CD2 4.35Å; K385-W412 HydrophobicContact CB-CE3 4.11Å; K385-W412 HydrophobicContact CB-CZ3 4.35Å; K385-W412 HydrophobicContact CG-CD2 4.34Å; K385-W412 HydrophobicContact CG-CE3 3.97Å; K385-W412 HydrophobicContact CG-CH2 3.93Å; K385-W412 HydrophobicContact CG-CZ2 4.33Å; K385-W412 HydrophobicContact CG-CZ3 3.73Å
386	E	90.6	Very high	93.2	Very high	101 Å²	101	36.7 Å²	36.7	47%	0.472	17%	0.17	S	C	.	.	S	Bend	trans	-103.8	-9.2	-179.7	-63.5	177.5	-165.4	0	0	112.6	K366 G384	K366-E386 WeakPolarHBondContact CB-OE2 3.37Å; K366-E386 PolarHBondContact N-OE2 3.48Å; G384-E386 PolarHBondContact O-N 2.95Å
387	T	92.8	Very high	93.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	17%	0.171	C	C	.	.			trans	-117.9	32.4	-173.4	48	0	0	0	0	111.4	K365 W367 G383 G384 H389 D390	K365-T387 HydrophobicContact CB-CG2 4.03Å; K365-T387 HydrophobicContact CD-CG2 3.93Å; W367-T387 HydrophobicContact CD2-CG2 3.94Å; W367-T387 HydrophobicContact CE3-CG2 4.32Å; W367-T387 HydrophobicContact CG-CG2 4.32Å; W367-T387 HydrophobicContact CH2-CG2 4.39Å; W367-T387 HydrophobicContact CZ2-CG2 4.05Å; G383-T387 CarbonylContact C-O 3.55Å; G383-T387 VanDerWaalsContact C-O 3.31Å; G383-T387 WeakPolarHBondContact CA-O 3.06Å; G383-T387 PolarHBondContact O-OG1 3.47Å; G384-T387 WeakPolarHBondContact CA-OG1 3.5Å; G384-T387 PolarHBondContact O-N 3.49Å; T387-H389 VanDerWaalsContact C-N 3.26Å; T387-H389 PolarHBondContact O-N 3.49Å; T387-D390 PolarHBondContact O-N 2.98Å
388	Q	93.8	Very high	93.2	Very high	63 Å²	63	35.8 Å²	35.8	29%	0.294	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-39	-162.2	-67.4	177.3	26.8	0	0	115	G383 G384 K385 G410 R411 W412	G383-Q388 WeakPolarHBondContact CA-O 3.44Å; G384-Q388 VanDerWaalsContact O-CA 3.32Å; G384-Q388 WeakPolarHBondContact O-CA 3.32Å; G384-Q388 WeakPolarHBondContact O-CG 3.46Å; G384-Q388 PolarHBondContact O-N 3.21Å; K385-Q388 PolarHBondContact O-NE2 3.25Å; Q388-G410 CarbonylContact O-C 3.54Å; Q388-G410 WeakPolarHBondContact O-CA 3.14Å; Q388-R411 PolarHBondContact O-N 2.75Å; Q388-W412 HydrophobicContact CG-CE3 4.06Å; Q388-W412 HydrophobicContact CG-CZ3 4.42Å
389	H	96.4	Very high	93.1	Very high	83 Å²	83	37.1 Å²	37.1	38%	0.384	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-14.4	-179.7	-70.9	-87.9	0	0	0	114	T387 Y406 L407 G410	T387-H389 VanDerWaalsContact C-N 3.26Å; T387-H389 PolarHBondContact O-N 3.49Å; H389-Y406 HydrophobicContact CB-CD1 4.21Å; H389-Y406 WeakPolarHBondContact O-CA 3.36Å; H389-Y406 WeakPolarHBondContact O-CD1 3.49Å; H389-L407 PolarHBondContact ND1-O 2.83Å; H389-L407 PolarHBondContact O-N 3.34Å; H389-G410 PolarHBondContact CE1-N 2.87Å; H389-G410 PolarHBondContact ND1-N 2.58Å
390	D	96.8	Very high	92.9	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.07	22%	0.216	C	C	.	.			trans	-69.9	138	-168.8	-65.3	-16.3	0	0	0	110.4	K365 W367 S382 G383 T387 Y406	K365-D390 IonicContact NZ-OD1 3.58Å; K365-D390 IonicContact NZ-OD2 2.68Å; K365-D390 PolarHBondContact NZ-OD2 3.24Å; W367-D390 HydrophobicContact CH2-CB 3.89Å; W367-D390 HydrophobicContact CZ2-CB 4.33Å; S382-D390 CarbonylContact C-O 3.59Å; S382-D390 WeakPolarHBondContact CA-O 3.48Å; G383-D390 PolarHBondContact N-O 2.91Å; T387-D390 PolarHBondContact O-N 2.98Å; D390-Y406 WeakPolarHBondContact OD1-CE1 3.35Å
391	V	97.6	Very high	92.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127	174.8	-168.1	0	0	0	0	108.5	I381 Q403 I404 E405 L407 W448	I381-V391 WeakPolarHBondContact O-CA 3.31Å; I381-V391 WeakPolarHBondContact O-CG1 3.5Å; V391-Q403 PolarHBondContact O-NE2 3.44Å; V391-Q403 VanDerWaalsContact O-NE2 3.07Å; V391-I404 HydrophobicContact CB-CD1 4.34Å; V391-I404 HydrophobicContact CB-CG1 3.78Å; V391-I404 HydrophobicContact CG1-CD1 3.53Å; V391-I404 HydrophobicContact CG1-CG1 3.53Å; V391-I404 PolarHBondContact O-N 3.32Å; V391-E405 WeakPolarHBondContact CB-O 3.43Å; V391-E405 WeakPolarHBondContact CG2-O 3.29Å; V391-L407 HydrophobicContact CG2-CD2 4.02Å; V391-L407 HydrophobicContact CG2-CG 3.66Å; V391-W448 HydrophobicContact CG1-CZ2 4.16Å; V391-W448 HydrophobicContact CG2-CZ2 3.95Å
392	W	97.4	Very high	92.8	Very high	35 Å²	35	47.8 Å²	47.8	13%	0.133	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146	-178.4	-66.9	70.9	0	0	0	110.9	P354 L355 W367 Y380 I381 W401 I402 Q403	P354-W392 HydrophobicContact CB-CD2 3.4Å; P354-W392 HydrophobicContact CB-CE3 3.63Å; P354-W392 HydrophobicContact CB-CG 3.98Å; P354-W392 HydrophobicContact CB-CH2 3.87Å; P354-W392 HydrophobicContact CB-CZ2 3.65Å; P354-W392 HydrophobicContact CB-CZ3 3.86Å; P354-W392 HydrophobicContact CG-CB 3.86Å; P354-W392 HydrophobicContact CG-CD2 3.35Å; P354-W392 HydrophobicContact CG-CE3 3.64Å; P354-W392 HydrophobicContact CG-CG 3.48Å; P354-W392 VanDerWaalsContact CG-CG 3.48Å; P354-W392 HydrophobicContact CG-CZ3 4.34Å; L355-W392 HydrophobicContact CD1-CZ2 3.98Å; L355-W392 HydrophobicContact CD2-CZ2 4.48Å; L355-W392 HydrophobicContact CG-CH2 4.44Å; L355-W392 HydrophobicContact CG-CZ2 3.98Å; W367-W392 AromaticContact CH2-CD1 3.47Å; W367-W392 VanDerWaalsContact CH2-CD1 3.47Å; W367-W392 HydrophobicContact CH2-CG 4.35Å; W367-W392 AromaticContact CZ2-CD1 3.54Å; W367-W392 HydrophobicContact CZ2-CG 4.32Å; W367-W392 AromaticContact CZ2-NE1 3.71Å; Y380-W392 CarbonylContact C-O 3.59Å; Y380-W392 WeakPolarHBondContact CA-O 3.29Å; I381-W392 HydrophobicContact CD1-CB 4.12Å; I381-W392 HydrophobicContact CG1-CB 3.78Å; I381-W392 PolarHBondContact N-O 3.32Å; I381-W392 PolarHBondContact O-N 3.07Å; W392-W401 HydrophobicContact CB-CE3 3.86Å; W392-W401 HydrophobicContact CB-CZ3 4.48Å; W392-W401 HydrophobicContact CE3-CB 3.77Å; W392-W401 HydrophobicContact CZ3-CB 4.34Å; W392-I402 WeakPolarHBondContact CA-O 3.5Å; W392-I402 VanDerWaalsContact CE3-C 3.45Å; W392-Q403 HydrophobicContact CD2-CB 4.09Å; W392-Q403 HydrophobicContact CE3-CB 4Å; W392-Q403 HydrophobicContact CH2-CB 3.91Å; W392-Q403 HydrophobicContact CZ2-CB 3.99Å; W392-Q403 HydrophobicContact CZ2-CG 4.5Å; W392-Q403 HydrophobicContact CZ3-CB 3.91Å
393	K	96.3	Very high	92.7	Very high	42 Å²	42	50.4 Å²	50.4	18%	0.183	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.7	176.2	-175.6	178.2	78.4	152.8	0	110.1	E378 V379 Y380 W401 I402 I404	E378-K393 HydrophobicContact CB-CD 4.35Å; E378-K393 HydrophobicContact CB-CG 4.22Å; E378-K393 WeakPolarHBondContact OE1-CE 3.44Å; E378-K393 IonicContact OE1-NZ 3.06Å; E378-K393 PolarHBondContact OE1-NZ 3.33Å; E378-K393 WeakPolarHBondContact OE2-CD 3.41Å; E378-K393 IonicContact OE2-NZ 2.76Å; E378-K393 PolarHBondContact OE2-NZ 2.89Å; V379-K393 CarbonylContact O-C 3.54Å; V379-K393 WeakPolarHBondContact O-CA 3.4Å; Y380-K393 HydrophobicContact CD1-CB 4.2Å; Y380-K393 HydrophobicContact CD1-CD 4.49Å; Y380-K393 HydrophobicContact CD1-CG 4.24Å; Y380-K393 HydrophobicContact CD2-CG 4.47Å; Y380-K393 HydrophobicContact CE1-CB 4.06Å; Y380-K393 HydrophobicContact CE1-CD 3.62Å; Y380-K393 HydrophobicContact CE1-CG 3.84Å; Y380-K393 HydrophobicContact CE2-CD 4.03Å; Y380-K393 HydrophobicContact CE2-CG 4.06Å; Y380-K393 WeakPolarHBondContact OH-CD 3.27Å; K393-W401 CarbonylContact O-C 3.45Å; K393-W401 WeakPolarHBondContact O-CA 3.31Å; K393-I402 PolarHBondContact N-O 3.5Å; K393-I402 PolarHBondContact O-N 3.38Å; K393-I404 HydrophobicContact CB-CD1 4.47Å; K393-I404 HydrophobicContact CB-CG2 4.02Å
394	Y	95.6	Very high	92.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	119.8	169.4	178.3	-107.8	0	0	0	110.2	M322 V350 A351 V379 N399 K400 W401 K606	M322-Y394 HydrophobicContact CE-CD1 3.79Å; M322-Y394 HydrophobicContact CE-CE1 3.92Å; M322-Y394 HydrophobicContact CE-CG 4.15Å; M322-Y394 HydrophobicContact SD-CD1 4.41Å; M322-Y394 HydrophobicContact SD-CE1 4.44Å; V350-Y394 HydrophobicContact CB-CE2 4.5Å; V350-Y394 WeakPolarHBondContact CB-OH 3.04Å; A351-Y394 HydrophobicContact CB-CE2 4.03Å; V379-Y394 HydrophobicContact CG2-CD1 4.43Å; V379-Y394 PolarHBondContact N-O 2.94Å; V379-Y394 PolarHBondContact O-N 2.81Å; Y394-N399 WeakPolarHBondContact CE2-OD1 3.32Å; Y394-N399 PolarHBondContact OH-OD1 3.16Å; Y394-K400 WeakPolarHBondContact CA-O 3.12Å; Y394-W401 HydrophobicContact CD2-CD2 4.13Å; Y394-W401 AromaticContact CD2-CE2 3.9Å; Y394-W401 HydrophobicContact CD2-CG 4.3Å; Y394-W401 HydrophobicContact CD2-CZ2 4.35Å; Y394-W401 AromaticContact CD2-NE1 3.93Å; Y394-W401 HydrophobicContact CG-CD2 4.43Å; Y394-W401 HydrophobicContact CG-CZ2 4.32Å; Y394-K606 PolarHBondContact OH-NZ 3.29Å
395	N	89.3	Confident	92.9	Very high	34 Å²	34	55.6 Å²	55.6	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.8	170.3	-174.4	-35.1	0	0	0	109.4	S397 I398 N399 K400 I402	N395-S397 VanDerWaalsContact C-N 3.34Å; N395-S397 PolarHBondContact O-N 3.05Å; N395-S397 PolarHBondContact OD1-N 3.44Å; N395-S397 PolarHBondContact OD1-OG 3.16Å; N395-I398 HydrophobicContact CB-CD1 4.24Å; N395-I398 HydrophobicContact CB-CG1 3.83Å; N395-N399 WeakPolarHBondContact O-CA 3.25Å; N395-N399 PolarHBondContact O-N 2.96Å; N395-K400 PolarHBondContact N-O 3.19Å; N395-K400 PolarHBondContact O-N 2.77Å; N395-I402 HydrophobicContact CB-CD1 4.12Å
396	S	84.3	Confident	93.2	Very high	20 Å²	20	55.6 Å²	55.6	14%	0.14	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-29	-176.3	-166.2	0	0	0	0	113.4	K606	S396-K606 PolarHBondContact OG-NZ 3.36Å
397	S	81.3	Confident	93.5	Very high	105 Å²	105	51 Å²	51	73%	0.734	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-36.2	-175.8	68.6	0	0	0	0	112.7	N395	N395-S397 VanDerWaalsContact C-N 3.34Å; N395-S397 PolarHBondContact O-N 3.05Å; N395-S397 PolarHBondContact OD1-N 3.44Å; N395-S397 PolarHBondContact OD1-OG 3.16Å
398	I	85.8	Confident	93.7	Very high	93 Å²	93	55.7 Å²	55.7	48%	0.477	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-0.7	178	62.7	170.9	0	0	0	113.3	N395 K400 I402	N395-I398 HydrophobicContact CB-CD1 4.24Å; N395-I398 HydrophobicContact CB-CG1 3.83Å; I398-K400 HydrophobicContact CD1-CB 4.09Å; I398-K400 HydrophobicContact CD1-CD 4.41Å; I398-K400 HydrophobicContact CG1-CB 4.11Å; I398-K400 PolarHBondContact O-N 2.79Å; I398-I402 HydrophobicContact CD1-CD1 4.43Å
399	N	88.7	Confident	93.8	Very high	70 Å²	70	54.9 Å²	54.9	37%	0.374	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	53.2	-176.9	-172.6	35.9	0	0	0	112.8	V350 A351 Y394 N395	V350-N399 WeakPolarHBondContact CB-OD1 3.28Å; A351-N399 WeakPolarHBondContact CB-O 3.12Å; A351-N399 PolarHBondContact N-OD1 3.45Å; Y394-N399 WeakPolarHBondContact CE2-OD1 3.32Å; Y394-N399 PolarHBondContact OH-OD1 3.16Å; N395-N399 WeakPolarHBondContact O-CA 3.25Å; N395-N399 PolarHBondContact O-N 2.96Å
400	K	91.6	Very high	93.8	Very high	133 Å²	133	51.2 Å²	51.2	58%	0.578	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.1	180	-71.6	-176.4	-179.7	-177.5	0	112.3	Y394 N395 I398	Y394-K400 WeakPolarHBondContact CA-O 3.12Å; N395-K400 PolarHBondContact N-O 3.19Å; N395-K400 PolarHBondContact O-N 2.77Å; I398-K400 HydrophobicContact CD1-CB 4.09Å; I398-K400 HydrophobicContact CD1-CD 4.41Å; I398-K400 HydrophobicContact CG1-CB 4.11Å; I398-K400 PolarHBondContact O-N 2.79Å
401	W	95.8	Very high	93.8	Very high	28 Å²	28	50.6 Å²	50.6	11%	0.106	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.8	167	-65.7	95.4	0	0	0	110.6	M322 I324 A351 K352 L353 P354 V379 I381 W392 K393 Y394	M322-W401 HydrophobicContact CE-CZ2 4.31Å; I324-W401 HydrophobicContact CG2-CZ2 4.43Å; A351-W401 PolarHBondContact O-NE1 2.83Å; A351-W401 VanDerWaalsContact O-NE1 3.08Å; K352-W401 PolarHBondContact O-NE1 3.16Å; L353-W401 HydrophobicContact CD2-CZ2 4.35Å; P354-W401 HydrophobicContact CG-CB 3.76Å; P354-W401 HydrophobicContact CG-CD2 3.95Å; P354-W401 HydrophobicContact CG-CE3 4.23Å; P354-W401 HydrophobicContact CG-CG 3.75Å; V379-W401 HydrophobicContact CG1-CH2 4.34Å; I381-W401 HydrophobicContact CB-CZ3 4.26Å; I381-W401 HydrophobicContact CD1-CE3 4.01Å; I381-W401 HydrophobicContact CD1-CH2 3.92Å; I381-W401 HydrophobicContact CD1-CZ3 3.62Å; I381-W401 HydrophobicContact CG1-CE3 4.22Å; I381-W401 HydrophobicContact CG1-CH2 4.24Å; I381-W401 HydrophobicContact CG1-CZ3 3.63Å; I381-W401 HydrophobicContact CG2-CH2 3.65Å; I381-W401 HydrophobicContact CG2-CZ3 3.76Å; W392-W401 HydrophobicContact CB-CE3 3.86Å; W392-W401 HydrophobicContact CB-CZ3 4.48Å; W392-W401 HydrophobicContact CE3-CB 3.77Å; W392-W401 HydrophobicContact CZ3-CB 4.34Å; K393-W401 CarbonylContact O-C 3.45Å; K393-W401 WeakPolarHBondContact O-CA 3.31Å; Y394-W401 HydrophobicContact CD2-CD2 4.13Å; Y394-W401 AromaticContact CD2-CE2 3.9Å; Y394-W401 HydrophobicContact CD2-CG 4.3Å; Y394-W401 HydrophobicContact CD2-CZ2 4.35Å; Y394-W401 AromaticContact CD2-NE1 3.93Å; Y394-W401 HydrophobicContact CG-CD2 4.43Å; Y394-W401 HydrophobicContact CG-CZ2 4.32Å
402	I	95.6	Very high	93.7	Very high	68 Å²	68	52.1 Å²	52.1	35%	0.349	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	121.7	-178.5	-54.5	174	0	0	0	107.2	W392 K393 N395 I398	W392-I402 WeakPolarHBondContact CA-O 3.5Å; W392-I402 VanDerWaalsContact CE3-C 3.45Å; K393-I402 PolarHBondContact N-O 3.5Å; K393-I402 PolarHBondContact O-N 3.38Å; N395-I402 HydrophobicContact CB-CD1 4.12Å; I398-I402 HydrophobicContact CD1-CD1 4.43Å
403	Q	95.9	Very high	93.6	Very high	55 Å²	55	54.6 Å²	54.6	26%	0.257	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	134.5	173	176.4	74.7	55.3	0	0	108.9	V391 W392 Y406	V391-Q403 PolarHBondContact O-NE2 3.44Å; V391-Q403 VanDerWaalsContact O-NE2 3.07Å; W392-Q403 HydrophobicContact CD2-CB 4.09Å; W392-Q403 HydrophobicContact CE3-CB 4Å; W392-Q403 HydrophobicContact CH2-CB 3.91Å; W392-Q403 HydrophobicContact CZ2-CB 3.99Å; W392-Q403 HydrophobicContact CZ2-CG 4.5Å; W392-Q403 HydrophobicContact CZ3-CB 3.91Å; Q403-Y406 VanDerWaalsContact NE2-CE1 3.32Å
404	I	96.4	Very high	93.7	Very high	20 Å²	20	52.7 Å²	52.7	10%	0.103	26%	0.26	C	S	.	.			trans	-122.3	-172.6	174.4	67.1	179.7	0	0	0	109.9	Y380 V391 K393 Y406 Y441	Y380-I404 HydrophobicContact CD1-CD1 3.64Å; Y380-I404 HydrophobicContact CE1-CD1 3.7Å; V391-I404 HydrophobicContact CB-CD1 4.34Å; V391-I404 HydrophobicContact CB-CG1 3.78Å; V391-I404 HydrophobicContact CG1-CD1 3.53Å; V391-I404 HydrophobicContact CG1-CG1 3.53Å; V391-I404 PolarHBondContact O-N 3.32Å; K393-I404 HydrophobicContact CB-CD1 4.47Å; K393-I404 HydrophobicContact CB-CG2 4.02Å; I404-Y406 PolarHBondContact O-N 3.26Å; I404-Y441 HydrophobicContact CD1-CE1 3.86Å; I404-Y441 HydrophobicContact CD1-CE2 4.3Å
405	E	97.4	Very high	93.8	Very high	88 Å²	88	54.8 Å²	54.8	41%	0.411	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-55.2	131.9	-178.1	-160.4	57.1	-137.5	0	0	112.5	V391 Y441 N446 W448	V391-E405 WeakPolarHBondContact CB-O 3.43Å; V391-E405 WeakPolarHBondContact CG2-O 3.29Å; E405-Y441 HydrophobicContact CB-CE2 4.29Å; E405-N446 PolarHBondContact N-OD1 3.26Å; E405-W448 PolarHBondContact O-NE1 3.23Å
406	Y	97.6	Very high	94.1	Very high	115 Å²	115	53.8 Å²	53.8	45%	0.451	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-67.3	152.4	-178.3	-65	-87.2	0	0	0	111.7	H389 D390 Q403 I404 W448	H389-Y406 HydrophobicContact CB-CD1 4.21Å; H389-Y406 WeakPolarHBondContact O-CA 3.36Å; H389-Y406 WeakPolarHBondContact O-CD1 3.49Å; D390-Y406 WeakPolarHBondContact OD1-CE1 3.35Å; Q403-Y406 VanDerWaalsContact NE2-CE1 3.32Å; I404-Y406 PolarHBondContact O-N 3.26Å; Y406-W448 PolarHBondContact O-NE1 2.87Å; Y406-W448 VanDerWaalsContact O-NE1 3.13Å
407	L	97.4	Very high	94.7	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-61.5	139.4	169.9	-65.2	174	0	0	0	110.1	H389 V391 I409 R411 V425 W448	H389-L407 PolarHBondContact ND1-O 2.83Å; H389-L407 PolarHBondContact O-N 3.34Å; V391-L407 HydrophobicContact CG2-CD2 4.02Å; V391-L407 HydrophobicContact CG2-CG 3.66Å; L407-I409 VanDerWaalsContact C-N 3.29Å; L407-I409 PolarHBondContact O-N 2.86Å; L407-R411 HydrophobicContact CD1-CG 3.89Å; L407-V425 HydrophobicContact CD2-CB 4.28Å; L407-V425 HydrophobicContact CD2-CG1 4Å; L407-V425 HydrophobicContact CD2-CG2 3.94Å; L407-W448 HydrophobicContact CD2-CD2 4.41Å; L407-W448 HydrophobicContact CD2-CE3 4.37Å; L407-W448 HydrophobicContact CD2-CH2 3.52Å; L407-W448 HydrophobicContact CD2-CZ2 3.57Å; L407-W448 HydrophobicContact CD2-CZ3 3.93Å
408	N	96.5	Very high	95.3	Very high	101 Å²	101	48.7 Å²	48.7	54%	0.54	23%	0.228	S	C	.	.	S	Bend	trans	-64.9	-40.3	173.4	-62.3	-64.3	0	0	0	110.4	E439 W448	N408-E439 VanDerWaalsContact CB-OE2 3.25Å; N408-E439 WeakPolarHBondContact CB-OE2 3.43Å; N408-E439 PolarHBondContact N-OE2 2.93Å; N408-E439 PolarHBondContact ND2-OE2 2.85Å; N408-W448 WeakPolarHBondContact ND2-CB 3.49Å
409	I	96	Very high	95.6	Very high	46 Å²	46	44.7 Å²	44.7	24%	0.236	21%	0.207	C	C	.	.	S	Bend	trans	-114.4	114.5	177.3	-56.6	166.9	0	0	0	109.1	L407 R411 D430 I435 N437 E439	L407-I409 VanDerWaalsContact C-N 3.29Å; L407-I409 PolarHBondContact O-N 2.86Å; I409-R411 PolarHBondContact O-NE 2.79Å; I409-D430 HydrophobicContact CG2-CB 4.29Å; I409-I435 HydrophobicContact CG2-CD1 3.99Å; I409-N437 HydrophobicContact CD1-CB 3.93Å; I409-E439 PolarHBondContact N-OE1 3Å
410	G	96.4	Very high	95.5	Very high	5 Å²	5	44.6 Å²	44.6	5%	0.052	22%	0.223	C	C	.	.			trans	-63.4	132.6	175.4	0	0	0	0	0	110.7	Q388 H389 D430	Q388-G410 CarbonylContact O-C 3.54Å; Q388-G410 WeakPolarHBondContact O-CA 3.14Å; H389-G410 PolarHBondContact CE1-N 2.87Å; H389-G410 PolarHBondContact ND1-N 2.58Å; G410-D430 WeakPolarHBondContact O-CA 3.48Å
411	R	97.1	Very high	95.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.			trans	-156.5	159.1	-171.7	61.2	-175.5	80.2	-162.7	9	113.9	G383 G384 Q388 L407 I409 H414 G427 F429 I435 N437 E439	G383-R411 WeakPolarHBondContact CA-O 3.42Å; G384-R411 PolarHBondContact N-O 2.95Å; Q388-R411 PolarHBondContact O-N 2.75Å; L407-R411 HydrophobicContact CD1-CG 3.89Å; I409-R411 PolarHBondContact O-NE 2.79Å; R411-H414 HydrophobicContact CG-CB 4.25Å; R411-G427 WeakPolarHBondContact CD-O 3.27Å; R411-G427 PolarHBondContact NH1-O 2.98Å; R411-F429 CarbonylContact C-O 3.6Å; R411-F429 VanDerWaalsContact CA-O 3.23Å; R411-F429 WeakPolarHBondContact CA-O 3.26Å; R411-I435 HydrophobicContact CB-CD1 4.26Å; R411-N437 PolarHBondContact NH1-O 2.63Å; R411-N437 VanDerWaalsContact NH1-O 3.17Å; R411-E439 IonicContact CZ-OE1 3.57Å; R411-E439 IonicContact NE-OE1 3.87Å; R411-E439 IonicContact NH2-OE1 2.61Å; R411-E439 PolarHBondContact NH2-OE1 3.15Å
412	W	95.8	Very high	95.3	Very high	34 Å²	34	42.1 Å²	42.1	13%	0.129	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-138	167.6	169.3	68.9	59.8	0	0	0	112.1	E369 K385 Q388 H414 G428 F429	E369-W412 HydrophobicContact CB-CB 4.49Å; K385-W412 VanDerWaalsContact CA-CE3 3.4Å; K385-W412 HydrophobicContact CB-CD2 4.35Å; K385-W412 HydrophobicContact CB-CE3 4.11Å; K385-W412 HydrophobicContact CB-CZ3 4.35Å; K385-W412 HydrophobicContact CG-CD2 4.34Å; K385-W412 HydrophobicContact CG-CE3 3.97Å; K385-W412 HydrophobicContact CG-CH2 3.93Å; K385-W412 HydrophobicContact CG-CZ2 4.33Å; K385-W412 HydrophobicContact CG-CZ3 3.73Å; Q388-W412 HydrophobicContact CG-CE3 4.06Å; Q388-W412 HydrophobicContact CG-CZ3 4.42Å; W412-H414 PolarHBondContact O-N 3.16Å; W412-H414 VanDerWaalsContact O-N 3.09Å; W412-G428 WeakPolarHBondContact O-CA 3.42Å; W412-F429 HydrophobicContact CD2-CD1 4.13Å; W412-F429 AromaticContact CE2-CD1 3.33Å; W412-F429 AromaticContact CE2-CE1 3.97Å; W412-F429 HydrophobicContact CH2-CD1 4.16Å; W412-F429 HydrophobicContact CH2-CE1 4.1Å; W412-F429 AromaticContact CZ2-CD1 3.37Å; W412-F429 HydrophobicContact CZ2-CD1 3.37Å; W412-F429 AromaticContact CZ2-CE1 3.48Å; W412-F429 HydrophobicContact CZ2-CE1 3.48Å; W412-F429 VanDerWaalsContact CZ2-CE1 3.48Å; W412-F429 PolarHBondContact N-O 3.17Å; W412-F429 AromaticContact NE1-CD1 3.35Å; W412-F429 VanDerWaalsContact NE1-CD1 3.35Å; W412-F429 PolarHBondContact O-N 2.78Å
413	R	95.3	Very high	95.3	Very high	86 Å²	86	38.9 Å²	38.9	33%	0.325	21%	0.205	S	C	.	.	S	Bend	trans	54.6	23.3	-175.2	-63.6	166.2	-176.6	-153.3	-3.7	113.1	E369 S460	E369-R413 HydrophobicContact CB-CG 3.84Å; E369-R413 HydrophobicContact CG-CG 4.04Å; E369-R413 PolarHBondContact O-N 2.96Å; E369-R413 IonicContact OE1-CZ 2.65Å; E369-R413 IonicContact OE1-NE 3.68Å; E369-R413 PolarHBondContact OE1-NE 3.37Å; E369-R413 IonicContact OE1-NH2 3.53Å; E369-R413 PolarHBondContact OE1-NH2 3.31Å; E369-R413 WeakPolarHBondContact OE2-CG 3.46Å; E369-R413 IonicContact OE2-CZ 3.35Å; E369-R413 IonicContact OE2-NE 2.62Å; E369-R413 PolarHBondContact OE2-NE 3.36Å; E369-R413 IonicContact OE2-NH2 3.23Å; R413-S460 WeakPolarHBondContact CD-OG 3.22Å; R413-S460 PolarHBondContact O-N 2.68Å
414	H	97.3	Very high	95.4	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	20%	0.197	C	C	.	.			trans	-82.7	178.3	170	60.7	-68.8	0	0	0	110.4	A371 S382 R411 W412 I426 G427	A371-H414 WeakPolarHBondContact CB-NE2 3.3Å; S382-H414 PolarHBondContact O-CE1 2.83Å; S382-H414 PolarHBondContact O-NE2 3.13Å; S382-H414 VanDerWaalsContact O-NE2 3.11Å; S382-H414 PolarHBondContact OG-NE2 3.16Å; R411-H414 HydrophobicContact CG-CB 4.25Å; W412-H414 PolarHBondContact O-N 3.16Å; W412-H414 VanDerWaalsContact O-N 3.09Å; H414-I426 VanDerWaalsContact CB-O 3.28Å; H414-I426 WeakPolarHBondContact CB-O 3.34Å; H414-G427 WeakPolarHBondContact CB-O 3.5Å
415	K	97.5	Very high	95.5	Very high	45 Å²	45	36.3 Å²	36.3	20%	0.196	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.8	170.6	-66	-65.7	175	-171.6	0	111	I426 F461 A463 N510	K415-I426 PolarHBondContact N-O 2.92Å; K415-I426 PolarHBondContact O-N 2.83Å; K415-F461 HydrophobicContact CB-CD2 4.42Å; K415-F461 HydrophobicContact CB-CE2 3.66Å; K415-F461 HydrophobicContact CB-CZ 3.94Å; K415-F461 WeakPolarHBondContact CE-O 3.46Å; K415-F461 HydrophobicContact CG-CD2 3.91Å; K415-F461 HydrophobicContact CG-CE2 3.63Å; K415-F461 HydrophobicContact CG-CZ 4.02Å; K415-F461 WeakPolarHBondContact CG-O 3.23Å; K415-A463 HydrophobicContact CB-CB 3.83Å; K415-A463 HydrophobicContact CG-CB 4.16Å; K415-N510 WeakPolarHBondContact CE-OD1 3.16Å; K415-N510 PolarHBondContact NZ-OD1 2.96Å
416	M	97.5	Very high	95.5	Very high	12 Å²	12	32.1 Å²	32.1	6%	0.059	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.5	171.2	-71.6	171.5	89.4	0	0	109.1	A371 V373 S382 V423 Y424 V425	A371-M416 HydrophobicContact CB-CB 4.23Å; A371-M416 HydrophobicContact CB-CG 3.67Å; A371-M416 HydrophobicContact CB-SD 3.95Å; A371-M416 VanDerWaalsContact O-SD 3.39Å; V373-M416 HydrophobicContact CB-CB 3.79Å; V373-M416 HydrophobicContact CG1-CB 3.79Å; V373-M416 HydrophobicContact CG1-CE 4Å; V373-M416 HydrophobicContact CG1-SD 4.46Å; S382-M416 PolarHBondContact OG-SD 3.2Å; M416-V423 HydrophobicContact CE-CG1 3.44Å; M416-V423 VanDerWaalsContact CE-CG1 3.44Å; M416-Y424 CarbonylContact C-O 3.57Å; M416-Y424 WeakPolarHBondContact CA-O 3.32Å; M416-V425 HydrophobicContact CE-CG2 4.36Å; M416-V425 HydrophobicContact CG-CG2 3.81Å
417	V	96.2	Very high	95.5	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.036	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.8	176.9	-175.2	0	0	0	0	109.5	Y424 I426 A463 T464 L470	V417-Y424 PolarHBondContact N-O 2.94Å; V417-Y424 PolarHBondContact O-N 2.81Å; V417-I426 HydrophobicContact CB-CD1 4.34Å; V417-I426 HydrophobicContact CG2-CD1 3.94Å; V417-A463 HydrophobicContact CG2-CB 3.7Å; V417-T464 VanDerWaalsContact CG1-C 3.5Å; V417-L470 HydrophobicContact CB-CD2 4.01Å; V417-L470 HydrophobicContact CG1-CD2 3.48Å; V417-L470 VanDerWaalsContact CG1-CD2 3.48Å
418	V	94	Very high	95.4	Very high	13 Å²	13	26.5 Å²	26.5	8%	0.079	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.3	173.6	166	0	0	0	0	110	V373 T374 L375 K422 V423 S465	V373-V418 HydrophobicContact CG1-CG2 4.06Å; V373-V418 HydrophobicContact CG2-CB 4.31Å; V373-V418 HydrophobicContact CG2-CG2 3.67Å; T374-V418 WeakPolarHBondContact O-CG2 2.9Å; L375-V418 HydrophobicContact CB-CG2 3.8Å; L375-V418 HydrophobicContact CD1-CG1 3.6Å; L375-V418 HydrophobicContact CD1-CG2 4.16Å; L375-V418 HydrophobicContact CG-CG2 4.47Å; V418-K422 WeakPolarHBondContact CA-O 3.39Å; V418-V423 HydrophobicContact CG2-CG2 4.02Å; V418-S465 WeakPolarHBondContact O-CB 3.48Å; V418-S465 PolarHBondContact O-OG 2.7Å
419	L	91.9	Very high	95.4	Very high	9 Å²	9	23.1 Å²	23.1	5%	0.047	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	125.5	172.9	172.8	64.2	0	0	0	110.2	G421 K422 Y424 K468 L470 P491	L419-G421 VanDerWaalsContact C-N 3.26Å; L419-G421 PolarHBondContact O-N 2.98Å; L419-K422 PolarHBondContact N-O 3.37Å; L419-K422 PolarHBondContact O-N 2.82Å; L419-Y424 HydrophobicContact CB-CD2 4.07Å; L419-Y424 HydrophobicContact CB-CE2 3.82Å; L419-Y424 HydrophobicContact CD2-CE2 4.38Å; L419-Y424 HydrophobicContact CG-CE2 4.37Å; L419-K468 VanDerWaalsContact CD1-C 3.47Å; L419-K468 HydrophobicContact CD1-CB 4.45Å; L419-L470 HydrophobicContact CB-CD2 3.63Å; L419-L470 HydrophobicContact CD2-CD1 4.31Å; L419-L470 HydrophobicContact CD2-CD2 3.58Å; L419-L470 HydrophobicContact CD2-CG 3.61Å; L419-L470 HydrophobicContact CG-CD2 4.19Å; L419-P491 HydrophobicContact CD2-CB 4.26Å; L419-P491 HydrophobicContact CD2-CG 3.96Å
420	G	87.4	Confident	95.3	Very high	68 Å²	68	22.7 Å²	22.7	70%	0.701	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	35.2	176.1	0	0	0	0	0	113.2	K422	G420-K422 VanDerWaalsContact C-N 3.27Å; G420-K422 PolarHBondContact O-N 2.72Å
421	G	88.3	Confident	95.1	Very high	31 Å²	31	24 Å²	24	32%	0.32	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	4.3	179.8	0	0	0	0	0	115.6	L419	L419-G421 VanDerWaalsContact C-N 3.26Å; L419-G421 PolarHBondContact O-N 2.98Å
422	K	92.8	Very high	94.8	Very high	77 Å²	77	31.5 Å²	31.5	34%	0.335	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	157.9	175.7	-61.9	-169.7	-179.6	-168.2	0	111.2	V418 L419 G420 Y424 T440 Y441	V418-K422 WeakPolarHBondContact CA-O 3.39Å; L419-K422 PolarHBondContact N-O 3.37Å; L419-K422 PolarHBondContact O-N 2.82Å; G420-K422 VanDerWaalsContact C-N 3.27Å; G420-K422 PolarHBondContact O-N 2.72Å; K422-Y424 HydrophobicContact CB-CE2 4.19Å; K422-T440 HydrophobicContact CB-CG2 3.77Å; K422-T440 HydrophobicContact CD-CG2 3.71Å; K422-T440 HydrophobicContact CG-CG2 4.37Å; K422-Y441 WeakPolarHBondContact CB-O 3.24Å
423	V	96.4	Very high	94.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.8	176.1	174.1	0	0	0	0	109.3	V373 L375 M416 V418 T440 Y441	V373-V423 HydrophobicContact CG1-CG1 3.97Å; V373-V423 HydrophobicContact CG1-CG2 4.26Å; L375-V423 HydrophobicContact CB-CG2 4.43Å; L375-V423 HydrophobicContact CD2-CG2 4Å; M416-V423 HydrophobicContact CE-CG1 3.44Å; M416-V423 VanDerWaalsContact CE-CG1 3.44Å; V418-V423 HydrophobicContact CG2-CG2 4.02Å; V423-T440 CarbonylContact O-C 3.56Å; V423-T440 WeakPolarHBondContact O-CA 3.43Å; V423-Y441 HydrophobicContact CB-CD1 4.42Å; V423-Y441 PolarHBondContact N-O 3.06Å; V423-Y441 VanDerWaalsContact N-O 3.17Å; V423-Y441 PolarHBondContact O-N 2.81Å
424	Y	97.7	Very high	94.7	Very high	21 Å²	21	34 Å²	34	8%	0.082	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.8	175.6	-71	-103.8	0	0	0	109.8	M416 V417 L419 K422 V438 E439 T440 A451 L470 Y489	M416-Y424 CarbonylContact C-O 3.57Å; M416-Y424 WeakPolarHBondContact CA-O 3.32Å; V417-Y424 PolarHBondContact N-O 2.94Å; V417-Y424 PolarHBondContact O-N 2.81Å; L419-Y424 HydrophobicContact CB-CD2 4.07Å; L419-Y424 HydrophobicContact CB-CE2 3.82Å; L419-Y424 HydrophobicContact CD2-CE2 4.38Å; L419-Y424 HydrophobicContact CG-CE2 4.37Å; K422-Y424 HydrophobicContact CB-CE2 4.19Å; Y424-V438 HydrophobicContact CD1-CG1 3.99Å; Y424-E439 CarbonylContact C-O 3.54Å; Y424-E439 WeakPolarHBondContact CA-O 3.43Å; Y424-T440 HydrophobicContact CD1-CG2 4.19Å; Y424-T440 WeakPolarHBondContact CD1-OG1 3.23Å; Y424-T440 HydrophobicContact CD2-CG2 4.24Å; Y424-T440 HydrophobicContact CE1-CG2 3.87Å; Y424-T440 WeakPolarHBondContact CE1-OG1 3.47Å; Y424-T440 HydrophobicContact CE2-CG2 3.9Å; Y424-T440 HydrophobicContact CG-CG2 4.37Å; Y424-A451 HydrophobicContact CE1-CB 4.24Å; Y424-L470 HydrophobicContact CD1-CD1 3.66Å; Y424-L470 HydrophobicContact CD2-CD1 4.18Å; Y424-L470 HydrophobicContact CE1-CD1 4.14Å; Y424-L470 HydrophobicContact CG-CD1 3.67Å; Y424-Y489 AromaticContact CE1-CE1 3.9Å; Y424-Y489 HydrophobicContact CE1-CE1 3.9Å
425	V	98.1	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.9	172.6	166.5	0	0	0	0	108.3	L407 M416 V438 E439 W448	L407-V425 HydrophobicContact CD2-CB 4.28Å; L407-V425 HydrophobicContact CD2-CG1 4Å; L407-V425 HydrophobicContact CD2-CG2 3.94Å; M416-V425 HydrophobicContact CE-CG2 4.36Å; M416-V425 HydrophobicContact CG-CG2 3.81Å; V425-V438 CarbonylContact O-C 3.51Å; V425-V438 WeakPolarHBondContact O-CA 3.4Å; V425-E439 HydrophobicContact CB-CB 4.4Å; V425-E439 PolarHBondContact N-O 2.9Å; V425-E439 PolarHBondContact O-N 3.38Å; V425-W448 HydrophobicContact CB-CH2 4.33Å; V425-W448 HydrophobicContact CB-CZ3 3.95Å; V425-W448 HydrophobicContact CG2-CH2 3.46Å; V425-W448 VanDerWaalsContact CG2-CH2 3.46Å; V425-W448 HydrophobicContact CG2-CZ3 3.54Å
426	I	98.3	Very high	94.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.3	-163	-54.3	174.1	0	0	0	109.6	H414 K415 V417 V438 L454 F461 L470 V472	H414-I426 VanDerWaalsContact CB-O 3.28Å; H414-I426 WeakPolarHBondContact CB-O 3.34Å; K415-I426 PolarHBondContact N-O 2.92Å; K415-I426 PolarHBondContact O-N 2.83Å; V417-I426 HydrophobicContact CB-CD1 4.34Å; V417-I426 HydrophobicContact CG2-CD1 3.94Å; I426-V438 HydrophobicContact CG1-CG1 4.1Å; I426-V438 HydrophobicContact CG2-CG2 4.2Å; I426-L454 HydrophobicContact CG2-CD1 3.85Å; I426-L454 HydrophobicContact CG2-CD2 3.85Å; I426-L454 HydrophobicContact CG2-CG 4.14Å; I426-F461 HydrophobicContact CB-CE2 4.34Å; I426-F461 HydrophobicContact CB-CZ 3.99Å; I426-F461 HydrophobicContact CG2-CE2 4.05Å; I426-F461 HydrophobicContact CG2-CZ 3.78Å; I426-F461 WeakPolarHBondContact O-CZ 3.25Å; I426-L470 HydrophobicContact CD1-CD1 4.14Å; I426-V472 HydrophobicContact CD1-CG2 4.3Å; I426-V472 HydrophobicContact CG2-CG2 3.78Å
427	G	97.3	Very high	94.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.			trans	53.5	-146	168.8	0	0	0	0	0	114.3	R411 H414 I435 N437	R411-G427 WeakPolarHBondContact CD-O 3.27Å; R411-G427 PolarHBondContact NH1-O 2.98Å; H414-G427 WeakPolarHBondContact CB-O 3.5Å; G427-I435 WeakPolarHBondContact CA-O 3.39Å; G427-N437 PolarHBondContact N-O 2.65Å
428	G	96.6	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.212	C	C	.	.			trans	108.4	-157	178.2	0	0	0	0	0	113.7	W412 R434 I435 V458	W412-G428 WeakPolarHBondContact O-CA 3.42Å; G428-R434 WeakPolarHBondContact O-CA 3.29Å; G428-R434 WeakPolarHBondContact O-CD 3.44Å; G428-I435 PolarHBondContact O-N 2.81Å; G428-I435 VanDerWaalsContact O-N 3.08Å; G428-V458 PolarHBondContact N-O 2.99Å
429	F	95.6	Very high	94.9	Very high	30 Å²	30	36 Å²	36	13%	0.132	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-128.2	129.5	174.4	-177.1	-114.5	0	0	0	109.8	R411 W412 G431 L432 Q433 R434	R411-F429 CarbonylContact C-O 3.6Å; R411-F429 VanDerWaalsContact CA-O 3.23Å; R411-F429 WeakPolarHBondContact CA-O 3.26Å; W412-F429 HydrophobicContact CD2-CD1 4.13Å; W412-F429 AromaticContact CE2-CD1 3.33Å; W412-F429 AromaticContact CE2-CE1 3.97Å; W412-F429 HydrophobicContact CH2-CD1 4.16Å; W412-F429 HydrophobicContact CH2-CE1 4.1Å; W412-F429 AromaticContact CZ2-CD1 3.37Å; W412-F429 HydrophobicContact CZ2-CD1 3.37Å; W412-F429 AromaticContact CZ2-CE1 3.48Å; W412-F429 HydrophobicContact CZ2-CE1 3.48Å; W412-F429 VanDerWaalsContact CZ2-CE1 3.48Å; W412-F429 PolarHBondContact N-O 3.17Å; W412-F429 AromaticContact NE1-CD1 3.35Å; W412-F429 VanDerWaalsContact NE1-CD1 3.35Å; W412-F429 PolarHBondContact O-N 2.78Å; F429-G431 VanDerWaalsContact C-N 3.31Å; F429-G431 VanDerWaalsContact CD1-N 3.28Å; F429-G431 WeakPolarHBondContact CE1-O 3.47Å; F429-G431 VanDerWaalsContact CZ-O 3.26Å; F429-G431 WeakPolarHBondContact CZ-O 3.29Å; F429-L432 WeakPolarHBondContact CE2-O 3.43Å; F429-Q433 WeakPolarHBondContact CA-O 3.35Å; F429-Q433 WeakPolarHBondContact CD2-O 3.42Å; F429-Q433 VanDerWaalsContact CE2-N 3.27Å; F429-R434 HydrophobicContact CD2-CG 4.44Å
430	D	94.8	Very high	95.1	Very high	36 Å²	36	35.8 Å²	35.8	19%	0.193	21%	0.207	C	C	.	.			trans	-89.8	8.8	-177.2	65.5	3	0	0	0	113.7	I409 G410 L432 Q433 I435	I409-D430 HydrophobicContact CG2-CB 4.29Å; G410-D430 WeakPolarHBondContact O-CA 3.48Å; D430-L432 WeakPolarHBondContact OD1-CA 3.34Å; D430-L432 PolarHBondContact OD1-N 2.9Å; D430-Q433 PolarHBondContact N-O 2.76Å; D430-Q433 PolarHBondContact OD1-N 2.85Å; D430-Q433 WeakPolarHBondContact OD2-CG 3.17Å; D430-I435 HydrophobicContact CB-CG2 4.02Å; D430-I435 WeakPolarHBondContact OD2-CG2 3.36Å
431	G	90.9	Very high	95.6	Very high	32 Å²	32	32.9 Å²	32.9	33%	0.33	18%	0.175	S	C	.	.	S	Bend	trans	96.8	-20.8	-172.7	0	0	0	0	0	113.7	F429	F429-G431 VanDerWaalsContact C-N 3.31Å; F429-G431 VanDerWaalsContact CD1-N 3.28Å; F429-G431 WeakPolarHBondContact CE1-O 3.47Å; F429-G431 VanDerWaalsContact CZ-O 3.26Å; F429-G431 WeakPolarHBondContact CZ-O 3.29Å
432	L	91.9	Very high	95.9	Very high	158 Å²	158	32.7 Å²	32.7	83%	0.827	17%	0.167	S	C	*	.	S	Bend	trans	-117.1	-49.1	-178.6	-61.6	175.6	0	0	0	112	F429 D430	F429-L432 WeakPolarHBondContact CE2-O 3.43Å; D430-L432 WeakPolarHBondContact OD1-CA 3.34Å; D430-L432 PolarHBondContact OD1-N 2.9Å
433	Q	93.6	Very high	95.9	Very high	124 Å²	124	31.2 Å²	31.2	58%	0.579	17%	0.165	S	C	*	.	S	Bend	trans	-143.4	161.7	-174.1	64.9	-177.2	-16.3	0	0	112.8	F429 D430 I435	F429-Q433 WeakPolarHBondContact CA-O 3.35Å; F429-Q433 WeakPolarHBondContact CD2-O 3.42Å; F429-Q433 VanDerWaalsContact CE2-N 3.27Å; D430-Q433 PolarHBondContact N-O 2.76Å; D430-Q433 PolarHBondContact OD1-N 2.85Å; D430-Q433 WeakPolarHBondContact OD2-CG 3.17Å; Q433-I435 HydrophobicContact CG-CG2 4.29Å
434	R	94.8	Very high	95.6	Very high	49 Å²	49	39.5 Å²	39.5	19%	0.185	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-76.8	128.6	172.6	-65.3	-55.3	-169.9	-98.6	17.4	108.5	G428 F429 H457 S459 P477	G428-R434 WeakPolarHBondContact O-CA 3.29Å; G428-R434 WeakPolarHBondContact O-CD 3.44Å; F429-R434 HydrophobicContact CD2-CG 4.44Å; R434-H457 HydrophobicContact CB-CB 4.35Å; R434-S459 PolarHBondContact NE-OG 3.36Å; R434-S459 PolarHBondContact NH2-OG 3.28Å; R434-S459 VanDerWaalsContact NH2-OG 3.14Å; R434-P477 WeakPolarHBondContact CG-O 3.49Å
435	I	96.1	Very high	95.4	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	22%	0.224	C	C	.	.			trans	-105.8	152	-174.1	58	172	0	0	0	111	I409 R411 G427 G428 D430 Q433	I409-I435 HydrophobicContact CG2-CD1 3.99Å; R411-I435 HydrophobicContact CB-CD1 4.26Å; G427-I435 WeakPolarHBondContact CA-O 3.39Å; G428-I435 PolarHBondContact O-N 2.81Å; G428-I435 VanDerWaalsContact O-N 3.08Å; D430-I435 HydrophobicContact CB-CG2 4.02Å; D430-I435 WeakPolarHBondContact OD2-CG2 3.36Å; Q433-I435 HydrophobicContact CG-CG2 4.29Å
436	N	96.5	Very high	95.3	Very high	58 Å²	58	47.2 Å²	47.2	31%	0.31	24%	0.24	S	C	.	.			trans	-107	-0.4	172.2	62.5	-10.4	0	0	0	112.7	P453 L454 H457	N436-P453 HydrophobicContact CB-CB 4.36Å; N436-P453 CarbonylContact O-C 3.49Å; N436-P453 VanDerWaalsContact O-CA 3.27Å; N436-P453 WeakPolarHBondContact O-CA 2.99Å; N436-P453 WeakPolarHBondContact O-CB 3.15Å; N436-L454 HydrophobicContact CB-CB 3.85Å; N436-L454 WeakPolarHBondContact CB-O 3Å; N436-L454 PolarHBondContact ND2-O 3.43Å; N436-L454 PolarHBondContact O-N 2.76Å; N436-H457 HydrophobicContact CB-CB 4.03Å
437	N	97.5	Very high	95.2	Very high	49 Å²	49	49.9 Å²	49.9	26%	0.262	26%	0.258	S	S	.	.			trans	-60.1	141.8	179.8	-57.9	77.6	0	0	0	111.9	I409 R411 G427	I409-N437 HydrophobicContact CD1-CB 3.93Å; R411-N437 PolarHBondContact NH1-O 2.63Å; R411-N437 VanDerWaalsContact NH1-O 3.17Å; G427-N437 PolarHBondContact N-O 2.65Å
438	V	98.1	Very high	95.2	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.024	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.8	174.9	-175.4	0	0	0	0	108.3	Y424 V425 I426 A451 A452 L454 W496	Y424-V438 HydrophobicContact CD1-CG1 3.99Å; V425-V438 CarbonylContact O-C 3.51Å; V425-V438 WeakPolarHBondContact O-CA 3.4Å; I426-V438 HydrophobicContact CG1-CG1 4.1Å; I426-V438 HydrophobicContact CG2-CG2 4.2Å; V438-A451 HydrophobicContact CB-CB 4.14Å; V438-A451 HydrophobicContact CG1-CB 3.95Å; V438-A451 PolarHBondContact O-N 2.83Å; V438-A452 WeakPolarHBondContact CG2-O 3.31Å; V438-L454 HydrophobicContact CG2-CG 4.26Å; V438-W496 HydrophobicContact CG2-CZ2 4.09Å
439	E	97.8	Very high	95.2	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.009	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.9	174.6	-62.7	-174.7	-123	0	0	109.5	N408 I409 R411 Y424 V425 W448 S449	N408-E439 VanDerWaalsContact CB-OE2 3.25Å; N408-E439 WeakPolarHBondContact CB-OE2 3.43Å; N408-E439 PolarHBondContact N-OE2 2.93Å; N408-E439 PolarHBondContact ND2-OE2 2.85Å; I409-E439 PolarHBondContact N-OE1 3Å; R411-E439 IonicContact CZ-OE1 3.57Å; R411-E439 IonicContact NE-OE1 3.87Å; R411-E439 IonicContact NH2-OE1 2.61Å; R411-E439 PolarHBondContact NH2-OE1 3.15Å; Y424-E439 CarbonylContact C-O 3.54Å; Y424-E439 WeakPolarHBondContact CA-O 3.43Å; V425-E439 HydrophobicContact CB-CB 4.4Å; V425-E439 PolarHBondContact N-O 2.9Å; V425-E439 PolarHBondContact O-N 3.38Å; E439-W448 HydrophobicContact CB-CE3 3.65Å; E439-W448 HydrophobicContact CB-CZ3 4.05Å; E439-S449 CarbonylContact C-O 3.57Å; E439-S449 WeakPolarHBondContact CA-O 3.38Å
440	T	97.3	Very high	95.2	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119	179.4	-49.9	0	0	0	0	109.1	K422 V423 Y424 W448 S449	K422-T440 HydrophobicContact CB-CG2 3.77Å; K422-T440 HydrophobicContact CD-CG2 3.71Å; K422-T440 HydrophobicContact CG-CG2 4.37Å; V423-T440 CarbonylContact O-C 3.56Å; V423-T440 WeakPolarHBondContact O-CA 3.43Å; Y424-T440 HydrophobicContact CD1-CG2 4.19Å; Y424-T440 WeakPolarHBondContact CD1-OG1 3.23Å; Y424-T440 HydrophobicContact CD2-CG2 4.24Å; Y424-T440 HydrophobicContact CE1-CG2 3.87Å; Y424-T440 WeakPolarHBondContact CE1-OG1 3.47Å; Y424-T440 HydrophobicContact CE2-CG2 3.9Å; Y424-T440 HydrophobicContact CG-CG2 4.37Å; T440-W448 CarbonylContact O-C 3.54Å; T440-W448 WeakPolarHBondContact O-CA 3.19Å; T440-S449 PolarHBondContact N-O 2.88Å; T440-S449 PolarHBondContact O-N 2.85Å; T440-S449 PolarHBondContact O-OG 3.41Å
441	Y	97.4	Very high	95.3	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.027	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.8	176.5	177.6	-110.8	0	0	0	111.2	Y380 I404 E405 K422 V423 P443 N446 C447 W448	Y380-Y441 HydrophobicContact CD1-CE1 4.48Å; Y380-Y441 HydrophobicContact CE1-CD1 4.39Å; Y380-Y441 AromaticContact CE1-CE1 3.82Å; Y380-Y441 HydrophobicContact CE1-CE1 3.82Å; I404-Y441 HydrophobicContact CD1-CE1 3.86Å; I404-Y441 HydrophobicContact CD1-CE2 4.3Å; E405-Y441 HydrophobicContact CB-CE2 4.29Å; K422-Y441 WeakPolarHBondContact CB-O 3.24Å; V423-Y441 HydrophobicContact CB-CD1 4.42Å; V423-Y441 PolarHBondContact N-O 3.06Å; V423-Y441 VanDerWaalsContact N-O 3.17Å; V423-Y441 PolarHBondContact O-N 2.81Å; Y441-P443 HydrophobicContact CD1-CB 4.39Å; Y441-P443 HydrophobicContact CE1-CB 3.85Å; Y441-P443 WeakPolarHBondContact O-CD 3.31Å; Y441-N446 WeakPolarHBondContact CE2-OD1 3.48Å; Y441-N446 PolarHBondContact OH-OD1 3.07Å; Y441-C447 WeakPolarHBondContact CA-O 3.37Å; Y441-W448 VanDerWaalsContact CB-CZ3 3.44Å; Y441-W448 HydrophobicContact CD2-CD2 4.03Å; Y441-W448 AromaticContact CD2-CE2 3.68Å; Y441-W448 HydrophobicContact CD2-CG 4.35Å; Y441-W448 AromaticContact CD2-CZ2 3.96Å; Y441-W448 HydrophobicContact CD2-CZ2 3.96Å; Y441-W448 AromaticContact CD2-NE1 3.83Å; Y441-W448 HydrophobicContact CG-CD2 4.41Å; Y441-W448 HydrophobicContact CG-CH2 4.23Å; Y441-W448 HydrophobicContact CG-CZ2 4.03Å
442	D	94.4	Very high	95.6	Very high	28 Å²	28	57.6 Å²	57.6	15%	0.15	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.4	169.7	-171.9	-17.4	0	0	0	109.7	F444 H445 N446 C447	D442-F444 PolarHBondContact O-N 3.2Å; D442-F444 WeakPolarHBondContact OD1-CB 3.37Å; D442-F444 PolarHBondContact OD1-N 2.94Å; D442-H445 HydrophobicContact CB-CB 4.47Å; D442-H445 PolarHBondContact O-N 2.82Å; D442-H445 IonicContact OD1-ND1 3.64Å; D442-H445 IonicContact OD2-CE1 3.23Å; D442-H445 IonicContact OD2-CG 3.92Å; D442-H445 IonicContact OD2-ND1 2.76Å; D442-H445 PolarHBondContact OD2-ND1 3.4Å; D442-N446 WeakPolarHBondContact O-CA 3.24Å; D442-N446 PolarHBondContact O-N 3.48Å; D442-C447 PolarHBondContact N-O 3.5Å; D442-C447 PolarHBondContact O-N 3.25Å
443	P	92.2	Very high	95.9	Very high	45 Å²	45	53.3 Å²	53.3	29%	0.292	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.6	-179.3	30.2	-37.4	0	0	0	113.3	L375 Y441	L375-P443 HydrophobicContact CD2-CB 4.43Å; L375-P443 HydrophobicContact CD2-CG 3.94Å; Y441-P443 HydrophobicContact CD1-CB 4.39Å; Y441-P443 HydrophobicContact CE1-CB 3.85Å; Y441-P443 WeakPolarHBondContact O-CD 3.31Å
444	F	91.1	Very high	96	Very high	175 Å²	175	47.6 Å²	47.6	77%	0.768	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-43.4	178.3	-178.4	-93.1	0	0	0	111.3	D442	D442-F444 PolarHBondContact O-N 3.2Å; D442-F444 WeakPolarHBondContact OD1-CB 3.37Å; D442-F444 PolarHBondContact OD1-N 2.94Å
445	H	93.5	Very high	96.1	Very high	121 Å²	121	49.8 Å²	49.8	56%	0.56	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-7.2	-179.7	-61.9	105.8	0	0	0	113.5	D442 C447	D442-H445 HydrophobicContact CB-CB 4.47Å; D442-H445 PolarHBondContact O-N 2.82Å; D442-H445 IonicContact OD1-ND1 3.64Å; D442-H445 IonicContact OD2-CE1 3.23Å; D442-H445 IonicContact OD2-CG 3.92Å; D442-H445 IonicContact OD2-ND1 2.76Å; D442-H445 PolarHBondContact OD2-ND1 3.4Å; H445-C447 VanDerWaalsContact C-N 3.31Å; H445-C447 PolarHBondContact O-N 3.1Å
446	N	94.9	Very high	96	Very high	62 Å²	62	50.6 Å²	50.6	33%	0.332	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	50.6	-172.6	-175	52	0	0	0	112.2	E405 Y441 D442	E405-N446 PolarHBondContact N-OD1 3.26Å; Y441-N446 WeakPolarHBondContact CE2-OD1 3.48Å; Y441-N446 PolarHBondContact OH-OD1 3.07Å; D442-N446 WeakPolarHBondContact O-CA 3.24Å; D442-N446 PolarHBondContact O-N 3.48Å
447	C	96.2	Very high	95.9	Very high	56 Å²	56	51 Å²	51	38%	0.378	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.8	-179.2	69.1	0	0	0	0	112.2	Y441 D442 H445	Y441-C447 WeakPolarHBondContact CA-O 3.37Å; D442-C447 PolarHBondContact N-O 3.5Å; D442-C447 PolarHBondContact O-N 3.25Å; H445-C447 VanDerWaalsContact C-N 3.31Å; H445-C447 PolarHBondContact O-N 3.1Å
448	W	97.6	Very high	95.8	Very high	28 Å²	28	48.7 Å²	48.7	11%	0.106	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	146.7	176.8	-67.3	96.3	0	0	0	110.9	V391 E405 Y406 L407 N408 V425 E439 T440 Y441	V391-W448 HydrophobicContact CG1-CZ2 4.16Å; V391-W448 HydrophobicContact CG2-CZ2 3.95Å; E405-W448 PolarHBondContact O-NE1 3.23Å; Y406-W448 PolarHBondContact O-NE1 2.87Å; Y406-W448 VanDerWaalsContact O-NE1 3.13Å; L407-W448 HydrophobicContact CD2-CD2 4.41Å; L407-W448 HydrophobicContact CD2-CE3 4.37Å; L407-W448 HydrophobicContact CD2-CH2 3.52Å; L407-W448 HydrophobicContact CD2-CZ2 3.57Å; L407-W448 HydrophobicContact CD2-CZ3 3.93Å; N408-W448 WeakPolarHBondContact ND2-CB 3.49Å; V425-W448 HydrophobicContact CB-CH2 4.33Å; V425-W448 HydrophobicContact CB-CZ3 3.95Å; V425-W448 HydrophobicContact CG2-CH2 3.46Å; V425-W448 VanDerWaalsContact CG2-CH2 3.46Å; V425-W448 HydrophobicContact CG2-CZ3 3.54Å; E439-W448 HydrophobicContact CB-CE3 3.65Å; E439-W448 HydrophobicContact CB-CZ3 4.05Å; T440-W448 CarbonylContact O-C 3.54Å; T440-W448 WeakPolarHBondContact O-CA 3.19Å; Y441-W448 VanDerWaalsContact CB-CZ3 3.44Å; Y441-W448 HydrophobicContact CD2-CD2 4.03Å; Y441-W448 AromaticContact CD2-CE2 3.68Å; Y441-W448 HydrophobicContact CD2-CG 4.35Å; Y441-W448 AromaticContact CD2-CZ2 3.96Å; Y441-W448 HydrophobicContact CD2-CZ2 3.96Å; Y441-W448 AromaticContact CD2-NE1 3.83Å; Y441-W448 HydrophobicContact CG-CD2 4.41Å; Y441-W448 HydrophobicContact CG-CH2 4.23Å; Y441-W448 HydrophobicContact CG-CZ2 4.03Å
449	S	96.4	Very high	95.7	Very high	52 Å²	52	48.6 Å²	48.6	36%	0.364	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.1	175.9	53.5	0	0	0	0	109.9	E439 T440	E439-S449 CarbonylContact C-O 3.57Å; E439-S449 WeakPolarHBondContact CA-O 3.38Å; T440-S449 PolarHBondContact N-O 2.88Å; T440-S449 PolarHBondContact O-N 2.85Å; T440-S449 PolarHBondContact O-OG 3.41Å
450	E	96.6	Very high	95.6	Very high	148 Å²	148	49.1 Å²	49.1	69%	0.692	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	140.9	177.1	-65.3	-168.7	155.5	0	0	111.7
451	A	96.4	Very high	95.5	Very high	15 Å²	15	48.9 Å²	48.9	12%	0.124	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	170.7	167.5	0	0	0	0	0	110.3	Y424 V438	Y424-A451 HydrophobicContact CE1-CB 4.24Å; V438-A451 HydrophobicContact CB-CB 4.14Å; V438-A451 HydrophobicContact CG1-CB 3.95Å; V438-A451 PolarHBondContact O-N 2.83Å
452	A	97.2	Very high	95.5	Very high	18 Å²	18	48.5 Å²	48.5	15%	0.149	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-55.7	136.2	179.3	0	0	0	0	0	111.6	V438 Y489 N494 W496	V438-A452 WeakPolarHBondContact CG2-O 3.31Å; A452-Y489 HydrophobicContact CB-CE2 4.12Å; A452-N494 WeakPolarHBondContact CB-O 3.05Å; A452-N494 VanDerWaalsContact CB-OD1 3.23Å; A452-N494 WeakPolarHBondContact CB-OD1 3.38Å; A452-N494 PolarHBondContact N-OD1 3.16Å; A452-W496 PolarHBondContact O-NE1 2.85Å
453	P	97.6	Very high	95.6	Very high	68 Å²	68	47.7 Å²	47.7	44%	0.442	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-72.8	154.2	-178.7	30.4	-35.6	0	0	0	111.7	N436 W496	N436-P453 HydrophobicContact CB-CB 4.36Å; N436-P453 CarbonylContact O-C 3.49Å; N436-P453 VanDerWaalsContact O-CA 3.27Å; N436-P453 WeakPolarHBondContact O-CA 2.99Å; N436-P453 WeakPolarHBondContact O-CB 3.15Å; P453-W496 PolarHBondContact O-NE1 3.01Å
454	L	96.9	Very high	95.8	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-58.6	149.9	174.4	-58.5	168.3	0	0	0	111.5	I426 N436 V438 V456 V458 V472 W496	I426-L454 HydrophobicContact CG2-CD1 3.85Å; I426-L454 HydrophobicContact CG2-CD2 3.85Å; I426-L454 HydrophobicContact CG2-CG 4.14Å; N436-L454 HydrophobicContact CB-CB 3.85Å; N436-L454 WeakPolarHBondContact CB-O 3Å; N436-L454 PolarHBondContact ND2-O 3.43Å; N436-L454 PolarHBondContact O-N 2.76Å; V438-L454 HydrophobicContact CG2-CG 4.26Å; L454-V456 VanDerWaalsContact C-N 3.27Å; L454-V456 WeakPolarHBondContact CB-O 3.18Å; L454-V456 PolarHBondContact O-N 2.95Å; L454-V458 HydrophobicContact CD1-CG2 3.91Å; L454-V472 HydrophobicContact CD2-CB 4.29Å; L454-V472 HydrophobicContact CD2-CG1 4.35Å; L454-V472 HydrophobicContact CD2-CG2 3.88Å; L454-W496 HydrophobicContact CD2-CD2 3.96Å; L454-W496 HydrophobicContact CD2-CE3 3.94Å; L454-W496 HydrophobicContact CD2-CH2 3.38Å; L454-W496 HydrophobicContact CD2-CZ2 3.39Å; L454-W496 HydrophobicContact CD2-CZ3 3.66Å; L454-W496 HydrophobicContact CG-CZ2 4.46Å
455	L	95.9	Very high	96	Very high	95 Å²	95	39 Å²	39	50%	0.497	22%	0.216	S	C	.	.	S	Bend	trans	-68.3	-32	172.7	-58.4	175.1	0	0	0	111.5	W496 L498	L455-W496 HydrophobicContact CD1-CB 4.15Å; L455-W496 HydrophobicContact CD2-CB 4.18Å; L455-W496 HydrophobicContact CG-CB 3.76Å; L455-L498 HydrophobicContact CD1-CD2 4.05Å; L455-L498 HydrophobicContact CD1-CG 3.9Å
456	V	94.1	Very high	96	Very high	22 Å²	22	33.4 Å²	33.4	13%	0.133	19%	0.191	C	C	.	.	S	Bend	trans	-129.5	122	177	-175.3	0	0	0	0	108.5	L454 V458 P477 K485 Q487	L454-V456 VanDerWaalsContact C-N 3.27Å; L454-V456 WeakPolarHBondContact CB-O 3.18Å; L454-V456 PolarHBondContact O-N 2.95Å; V456-V458 HydrophobicContact CG1-CG1 4.15Å; V456-P477 HydrophobicContact CG1-CB 4.07Å; V456-K485 HydrophobicContact CG2-CD 3.8Å; V456-Q487 PolarHBondContact O-NE2 3.16Å; V456-Q487 VanDerWaalsContact O-NE2 3.16Å
457	H	94.3	Very high	95.7	Very high	68 Å²	68	35.6 Å²	35.6	32%	0.315	20%	0.197	S	C	.	.			trans	-64.2	133.3	171.7	54.9	-87.7	0	0	0	110.2	R434 N436 P477 N478	R434-H457 HydrophobicContact CB-CB 4.35Å; N436-H457 HydrophobicContact CB-CB 4.03Å; H457-P477 PolarHBondContact CD2-O 3.09Å; H457-P477 PolarHBondContact NE2-O 3.18Å; H457-P477 VanDerWaalsContact O-CA 3.28Å; H457-P477 WeakPolarHBondContact O-CA 3.42Å; H457-P477 WeakPolarHBondContact O-CB 3.37Å; H457-N478 PolarHBondContact NE2-OD1 2.86Å; H457-N478 VanDerWaalsContact NE2-OD1 3.14Å
458	V	96	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.			trans	-150.2	147.9	-175.1	-75	0	0	0	0	111.3	G428 L454 V456 F461 V472 P477 T483	G428-V458 PolarHBondContact N-O 2.99Å; L454-V458 HydrophobicContact CD1-CG2 3.91Å; V456-V458 HydrophobicContact CG1-CG1 4.15Å; V458-F461 HydrophobicContact CB-CB 4.37Å; V458-F461 HydrophobicContact CB-CD1 3.9Å; V458-F461 HydrophobicContact CB-CG 4.42Å; V458-F461 HydrophobicContact CG2-CB 4.13Å; V458-F461 HydrophobicContact CG2-CD1 3.42Å; V458-F461 VanDerWaalsContact CG2-CD1 3.42Å; V458-F461 HydrophobicContact CG2-CE1 3.9Å; V458-F461 HydrophobicContact CG2-CG 3.82Å; V458-F461 WeakPolarHBondContact O-CD1 3.19Å; V458-F461 WeakPolarHBondContact O-CE1 3.48Å; V458-V472 HydrophobicContact CG2-CG1 3.97Å; V458-P477 HydrophobicContact CG1-CB 4.42Å; V458-T483 HydrophobicContact CG1-CG2 4.03Å
459	S	95.9	Very high	95.3	Very high	2 Å²	2	42 Å²	42	1%	0.014	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-121.2	165.2	160.8	73.9	0	0	0	0	111.1	R434 F461 G475 G476	R434-S459 PolarHBondContact NE-OG 3.36Å; R434-S459 PolarHBondContact NH2-OG 3.28Å; R434-S459 VanDerWaalsContact NH2-OG 3.14Å; S459-F461 PolarHBondContact O-N 2.67Å; S459-F461 VanDerWaalsContact O-N 3.16Å; S459-G475 WeakPolarHBondContact O-CA 3.28Å; S459-G476 PolarHBondContact N-O 2.85Å; S459-G476 PolarHBondContact O-N 3.49Å
460	S	95.1	Very high	95.3	Very high	12 Å²	12	39.6 Å²	39.6	8%	0.084	20%	0.202	C	C	.	.	S	Bend	trans	56.6	30	174.6	-50.8	0	0	0	0	112.2	R413 K507 C508	R413-S460 WeakPolarHBondContact CD-OG 3.22Å; R413-S460 PolarHBondContact O-N 2.68Å; S460-K507 CarbonylContact O-C 3.55Å; S460-C508 PolarHBondContact O-N 3.44Å
461	F	96.6	Very high	95.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.			trans	-89.5	169.6	176.4	59.6	-89.9	0	0	0	110.2	K415 I426 V458 S459 A463 V472 G474	K415-F461 HydrophobicContact CB-CD2 4.42Å; K415-F461 HydrophobicContact CB-CE2 3.66Å; K415-F461 HydrophobicContact CB-CZ 3.94Å; K415-F461 WeakPolarHBondContact CE-O 3.46Å; K415-F461 HydrophobicContact CG-CD2 3.91Å; K415-F461 HydrophobicContact CG-CE2 3.63Å; K415-F461 HydrophobicContact CG-CZ 4.02Å; K415-F461 WeakPolarHBondContact CG-O 3.23Å; I426-F461 HydrophobicContact CB-CE2 4.34Å; I426-F461 HydrophobicContact CB-CZ 3.99Å; I426-F461 HydrophobicContact CG2-CE2 4.05Å; I426-F461 HydrophobicContact CG2-CZ 3.78Å; I426-F461 WeakPolarHBondContact O-CZ 3.25Å; V458-F461 HydrophobicContact CB-CB 4.37Å; V458-F461 HydrophobicContact CB-CD1 3.9Å; V458-F461 HydrophobicContact CB-CG 4.42Å; V458-F461 HydrophobicContact CG2-CB 4.13Å; V458-F461 HydrophobicContact CG2-CD1 3.42Å; V458-F461 VanDerWaalsContact CG2-CD1 3.42Å; V458-F461 HydrophobicContact CG2-CE1 3.9Å; V458-F461 HydrophobicContact CG2-CG 3.82Å; V458-F461 WeakPolarHBondContact O-CD1 3.19Å; V458-F461 WeakPolarHBondContact O-CE1 3.48Å; S459-F461 PolarHBondContact O-N 2.67Å; S459-F461 VanDerWaalsContact O-N 3.16Å; F461-A463 HydrophobicContact CD2-CB 3.99Å; F461-A463 HydrophobicContact CE2-CB 3.7Å; F461-V472 HydrophobicContact CB-CG1 4.45Å; F461-V472 HydrophobicContact CD2-CB 4.41Å; F461-V472 HydrophobicContact CD2-CG1 3.6Å; F461-V472 HydrophobicContact CD2-CG2 4.36Å; F461-V472 HydrophobicContact CE2-CG1 3.94Å; F461-V472 HydrophobicContact CE2-CG2 4Å; F461-V472 HydrophobicContact CG-CG1 4.07Å; F461-G474 VanDerWaalsContact CB-O 3.3Å; F461-G474 WeakPolarHBondContact CB-O 3.48Å
462	A	96.9	Very high	95.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.5	171.4	0	0	0	0	0	109.9	V472 I473 I509 N510 A511 V520	A462-V472 WeakPolarHBondContact O-CA 3.3Å; A462-I473 HydrophobicContact CB-CB 4.31Å; A462-I473 PolarHBondContact N-O 2.86Å; A462-I473 PolarHBondContact O-N 3.23Å; A462-I509 HydrophobicContact CB-CB 4.18Å; A462-I509 HydrophobicContact CB-CD1 3.71Å; A462-I509 HydrophobicContact CB-CG1 3.7Å; A462-N510 VanDerWaalsContact CB-C 3.5Å; A462-A511 HydrophobicContact CB-CB 3.66Å; A462-V520 HydrophobicContact CB-CG1 4.14Å
463	A	97.3	Very high	95.5	Very high	11 Å²	11	31.5 Å²	31.5	9%	0.091	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	147.9	175.1	0	0	0	0	0	112.7	K415 V417 F461 Y471 V472	K415-A463 HydrophobicContact CB-CB 3.83Å; K415-A463 HydrophobicContact CG-CB 4.16Å; V417-A463 HydrophobicContact CG2-CB 3.7Å; F461-A463 HydrophobicContact CD2-CB 3.99Å; F461-A463 HydrophobicContact CE2-CB 3.7Å; A463-Y471 WeakPolarHBondContact CA-O 3.42Å; A463-Y471 WeakPolarHBondContact CB-O 3.43Å; A463-V472 HydrophobicContact CB-CG2 4.21Å
464	T	96.1	Very high	95.4	Very high	16 Å²	16	28.3 Å²	28.3	10%	0.098	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	162.9	177.3	-160.9	0	0	0	0	110.6	V417 Y471 A511 S513 I518	V417-T464 VanDerWaalsContact CG1-C 3.5Å; T464-Y471 PolarHBondContact N-O 3.5Å; T464-Y471 VanDerWaalsContact N-O 3.13Å; T464-Y471 PolarHBondContact O-N 3.36Å; T464-A511 HydrophobicContact CG2-CB 4.3Å; T464-S513 PolarHBondContact OG1-N 3.34Å; T464-I518 HydrophobicContact CG2-CB 4.31Å; T464-I518 HydrophobicContact CG2-CD1 3.85Å; T464-I518 HydrophobicContact CG2-CG1 3.89Å; T464-I518 HydrophobicContact CG2-CG2 3.56Å
465	S	94.5	Very high	95.3	Very high	20 Å²	20	28.1 Å²	28.1	14%	0.14	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.1	170.1	52.2	0	0	0	0	109.3	V418 K469 S513	V418-S465 WeakPolarHBondContact O-CB 3.48Å; V418-S465 PolarHBondContact O-OG 2.7Å; S465-K469 CarbonylContact C-O 3.51Å; S465-K469 VanDerWaalsContact CA-O 3.25Å; S465-K469 WeakPolarHBondContact CA-O 3.21Å; S465-S513 WeakPolarHBondContact O-CB 3.36Å; S465-S513 PolarHBondContact O-OG 3Å
466	H	93	Very high	95.2	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.023	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	128.9	175.4	-173	86.3	0	0	0	109.7	K468 K469 Y471 S513 R515 D516 I518	H466-K468 VanDerWaalsContact C-N 3.32Å; H466-K468 PolarHBondContact O-N 3.2Å; H466-K469 PolarHBondContact N-O 2.94Å; H466-K469 PolarHBondContact O-N 3.32Å; H466-Y471 HydrophobicContact CB-CD2 4.07Å; H466-Y471 HydrophobicContact CB-CE2 3.82Å; H466-S513 PolarHBondContact ND1-OG 3.39Å; H466-R515 PolarHBondContact CE1-O 2.86Å; H466-D516 VanDerWaalsContact CE1-C 3.42Å; H466-I518 HydrophobicContact CB-CD1 3.71Å; H466-I518 HydrophobicContact CB-CG1 3.83Å
467	K	88.4	Confident	95.1	Very high	107 Å²	107	23.6 Å²	23.6	47%	0.465	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.9	54.6	179.1	-67.2	-179.5	-177.4	-179	0	112.8	K469 D516	K467-K469 VanDerWaalsContact C-N 3.3Å; K467-K469 PolarHBondContact O-N 2.85Å; K467-D516 WeakPolarHBondContact CE-OD1 3.44Å; K467-D516 IonicContact NZ-OD1 3.24Å; K467-D516 PolarHBondContact NZ-OD1 3.01Å
468	K	90.1	Very high	94.6	Very high	150 Å²	150	25 Å²	25	65%	0.652	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	16.8	177.9	-54.8	177.2	178.1	178.4	0	116.3	L419 H466 P491	L419-K468 VanDerWaalsContact CD1-C 3.47Å; L419-K468 HydrophobicContact CD1-CB 4.45Å; H466-K468 VanDerWaalsContact C-N 3.32Å; H466-K468 PolarHBondContact O-N 3.2Å; K468-P491 VanDerWaalsContact O-CD 3.29Å; K468-P491 WeakPolarHBondContact O-CD 3.43Å; K468-P491 VanDerWaalsContact O-CG 3.31Å; K468-P491 WeakPolarHBondContact O-CG 3.26Å
469	K	95.3	Very high	93.4	Very high	70 Å²	70	28 Å²	28	30%	0.304	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	156.2	176	-62.8	-169.6	-179.4	-159.4	0	110.7	S465 H466 K467 Y471 Y489 D490	S465-K469 CarbonylContact C-O 3.51Å; S465-K469 VanDerWaalsContact CA-O 3.25Å; S465-K469 WeakPolarHBondContact CA-O 3.21Å; H466-K469 PolarHBondContact N-O 2.94Å; H466-K469 PolarHBondContact O-N 3.32Å; K467-K469 VanDerWaalsContact C-N 3.3Å; K467-K469 PolarHBondContact O-N 2.85Å; K469-Y471 HydrophobicContact CB-CE2 3.84Å; K469-Y489 WeakPolarHBondContact CA-O 3.48Å; K469-Y489 WeakPolarHBondContact CB-O 3.4Å; K469-D490 WeakPolarHBondContact CE-OD2 3.32Å; K469-D490 IonicContact NZ-OD2 3.88Å; K469-D490 PolarHBondContact NZ-OD2 3.3Å
470	L	97.1	Very high	92.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	145.8	171	-48.9	173	0	0	0	109.9	V417 L419 Y424 I426 C488 Y489 W496	V417-L470 HydrophobicContact CB-CD2 4.01Å; V417-L470 HydrophobicContact CG1-CD2 3.48Å; V417-L470 VanDerWaalsContact CG1-CD2 3.48Å; L419-L470 HydrophobicContact CB-CD2 3.63Å; L419-L470 HydrophobicContact CD2-CD1 4.31Å; L419-L470 HydrophobicContact CD2-CD2 3.58Å; L419-L470 HydrophobicContact CD2-CG 3.61Å; L419-L470 HydrophobicContact CG-CD2 4.19Å; Y424-L470 HydrophobicContact CD1-CD1 3.66Å; Y424-L470 HydrophobicContact CD2-CD1 4.18Å; Y424-L470 HydrophobicContact CE1-CD1 4.14Å; Y424-L470 HydrophobicContact CG-CD1 3.67Å; I426-L470 HydrophobicContact CD1-CD1 4.14Å; L470-C488 CarbonylContact O-C 3.56Å; L470-C488 VanDerWaalsContact O-CA 3.29Å; L470-C488 WeakPolarHBondContact O-CA 3.43Å; L470-Y489 HydrophobicContact CB-CD1 4.43Å; L470-Y489 HydrophobicContact CD1-CD1 3.63Å; L470-Y489 HydrophobicContact CD1-CE1 4.3Å; L470-Y489 HydrophobicContact CD1-CG 4.37Å; L470-Y489 HydrophobicContact CG-CD1 3.94Å; L470-Y489 PolarHBondContact N-O 3.14Å; L470-Y489 VanDerWaalsContact N-O 3.16Å; L470-Y489 PolarHBondContact O-N 2.9Å; L470-W496 HydrophobicContact CB-CH2 4.35Å
471	Y	97.9	Very high	91.6	Very high	12 Å²	12	42 Å²	42	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.1	174.4	-65	-95.7	0	0	0	109.2	A463 T464 H466 K469 T486 Q487 C488 I518 Y531 P533	A463-Y471 WeakPolarHBondContact CA-O 3.42Å; A463-Y471 WeakPolarHBondContact CB-O 3.43Å; T464-Y471 PolarHBondContact N-O 3.5Å; T464-Y471 VanDerWaalsContact N-O 3.13Å; T464-Y471 PolarHBondContact O-N 3.36Å; H466-Y471 HydrophobicContact CB-CD2 4.07Å; H466-Y471 HydrophobicContact CB-CE2 3.82Å; K469-Y471 HydrophobicContact CB-CE2 3.84Å; Y471-T486 HydrophobicContact CD1-CG2 4.42Å; Y471-Q487 CarbonylContact C-O 3.56Å; Y471-Q487 WeakPolarHBondContact CA-O 3.38Å; Y471-C488 HydrophobicContact CD1-CB 4.06Å; Y471-C488 HydrophobicContact CE1-CB 3.85Å; Y471-C488 VanDerWaalsContact CE1-SG 3.58Å; Y471-I518 HydrophobicContact CD1-CD1 4.02Å; Y471-I518 HydrophobicContact CD2-CD1 3.38Å; Y471-I518 HydrophobicContact CE1-CD1 4.46Å; Y471-I518 HydrophobicContact CE2-CD1 3.9Å; Y471-I518 HydrophobicContact CG-CD1 3.46Å; Y471-I518 VanDerWaalsContact CG-CD1 3.46Å; Y471-Y531 HydrophobicContact CD1-CE1 4Å; Y471-Y531 AromaticContact CE1-CE1 3.82Å; Y471-Y531 HydrophobicContact CE1-CE1 3.82Å; Y471-P533 HydrophobicContact CE1-CB 4.24Å; Y471-P533 HydrophobicContact CE1-CG 4.48Å; Y471-P533 WeakPolarHBondContact OH-CB 3.42Å
472	V	98.1	Very high	91.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.5	173.7	168.1	0	0	0	0	107.3	I426 L454 V458 F461 A462 A463 T486 Q487 W496	I426-V472 HydrophobicContact CD1-CG2 4.3Å; I426-V472 HydrophobicContact CG2-CG2 3.78Å; L454-V472 HydrophobicContact CD2-CB 4.29Å; L454-V472 HydrophobicContact CD2-CG1 4.35Å; L454-V472 HydrophobicContact CD2-CG2 3.88Å; V458-V472 HydrophobicContact CG2-CG1 3.97Å; F461-V472 HydrophobicContact CB-CG1 4.45Å; F461-V472 HydrophobicContact CD2-CB 4.41Å; F461-V472 HydrophobicContact CD2-CG1 3.6Å; F461-V472 HydrophobicContact CD2-CG2 4.36Å; F461-V472 HydrophobicContact CE2-CG1 3.94Å; F461-V472 HydrophobicContact CE2-CG2 4Å; F461-V472 HydrophobicContact CG-CG1 4.07Å; A462-V472 WeakPolarHBondContact O-CA 3.3Å; A463-V472 HydrophobicContact CB-CG2 4.21Å; V472-T486 CarbonylContact O-C 3.57Å; V472-T486 WeakPolarHBondContact O-CA 3.49Å; V472-Q487 HydrophobicContact CB-CB 4.25Å; V472-Q487 PolarHBondContact N-O 2.71Å; V472-Q487 PolarHBondContact O-N 2.91Å; V472-W496 HydrophobicContact CB-CZ3 4.16Å; V472-W496 HydrophobicContact CG2-CH2 3.66Å; V472-W496 HydrophobicContact CG2-CZ3 3.79Å
473	I	97.8	Very high	91.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.8	-168	-61.2	160.8	0	0	0	108.3	A462 T486 M502 I509 A511 I518 V520 W538	A462-I473 HydrophobicContact CB-CB 4.31Å; A462-I473 PolarHBondContact N-O 2.86Å; A462-I473 PolarHBondContact O-N 3.23Å; I473-T486 HydrophobicContact CG1-CG2 3.93Å; I473-M502 HydrophobicContact CG2-CB 4.41Å; I473-M502 HydrophobicContact CG2-CE 4.38Å; I473-M502 HydrophobicContact CG2-SD 3.62Å; I473-I509 HydrophobicContact CG2-CD1 4.43Å; I473-I509 WeakPolarHBondContact O-CD1 3.4Å; I473-A511 HydrophobicContact CD1-CB 4.37Å; I473-I518 HydrophobicContact CD1-CG2 3.89Å; I473-V520 HydrophobicContact CD1-CG2 3.78Å; I473-V520 HydrophobicContact CG2-CG1 4.47Å; I473-V520 HydrophobicContact CG2-CG2 4.44Å; I473-W538 HydrophobicContact CD1-CH2 4.08Å; I473-W538 HydrophobicContact CG1-CH2 4.44Å; I473-W538 HydrophobicContact CG2-CH2 3.73Å; I473-W538 HydrophobicContact CG2-CZ2 4.1Å
474	G	96.1	Very high	91.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.			trans	61.1	-144.5	174.5	0	0	0	0	0	114.4	F461 T483 K485	F461-G474 VanDerWaalsContact CB-O 3.3Å; F461-G474 WeakPolarHBondContact CB-O 3.48Å; G474-T483 WeakPolarHBondContact CA-O 3.24Å; G474-T483 WeakPolarHBondContact O-CG2 3.13Å; G474-K485 PolarHBondContact N-O 2.89Å
475	G	95.1	Very high	91.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.			trans	99.7	-176.3	-177.3	0	0	0	0	0	113.9	S459 P477 A482 T483 A506	S459-G475 WeakPolarHBondContact O-CA 3.28Å; G475-P477 WeakPolarHBondContact O-CD 3.41Å; G475-A482 CarbonylContact O-C 3.59Å; G475-A482 VanDerWaalsContact O-CA 3.27Å; G475-A482 WeakPolarHBondContact O-CA 3.46Å; G475-T483 PolarHBondContact O-N 2.78Å; G475-A506 PolarHBondContact N-O 2.83Å
476	G	93.9	Very high	91.4	Very high	4 Å²	4	48.6 Å²	48.6	4%	0.041	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-104.1	108.2	177.3	0	0	0	0	0	111.3	S459 L481	S459-G476 PolarHBondContact N-O 2.85Å; S459-G476 PolarHBondContact O-N 3.49Å; G476-L481 WeakPolarHBondContact CA-O 3.31Å
477	P	91.4	Very high	91.6	Very high	19 Å²	19	48.5 Å²	48.5	12%	0.123	25%	0.248	C	C	.	.	S	Bend	trans	-74	-41	173.9	28	-33.1	0	0	0	111.5	R434 V456 H457 V458 G475 L481 T483	R434-P477 WeakPolarHBondContact CG-O 3.49Å; V456-P477 HydrophobicContact CG1-CB 4.07Å; H457-P477 PolarHBondContact CD2-O 3.09Å; H457-P477 PolarHBondContact NE2-O 3.18Å; H457-P477 VanDerWaalsContact O-CA 3.28Å; H457-P477 WeakPolarHBondContact O-CA 3.42Å; H457-P477 WeakPolarHBondContact O-CB 3.37Å; V458-P477 HydrophobicContact CG1-CB 4.42Å; G475-P477 WeakPolarHBondContact O-CD 3.41Å; P477-L481 WeakPolarHBondContact CD-O 3.47Å; P477-T483 HydrophobicContact CG-CG2 4.47Å
478	N	83.6	Confident	92.1	Very high	98 Å²	98	43.4 Å²	43.4	52%	0.524	23%	0.227	S	C	.	.	S	Bend	trans	-136.9	106.2	-175.8	-63.7	-18.8	0	0	0	110.3	H457 K480 L481	H457-N478 PolarHBondContact NE2-OD1 2.86Å; H457-N478 VanDerWaalsContact NE2-OD1 3.14Å; N478-K480 PolarHBondContact O-N 2.79Å; N478-L481 PolarHBondContact O-N 3.02Å
479	G	70.2	Confident	92.5	Very high	61 Å²	61	36.8 Å²	36.8	63%	0.629	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	43.8	-84.5	168.1	0	0	0	0	0	117.4
480	K	69.8	Low	92.5	Very high	196 Å²	196	35 Å²	35	85%	0.852	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-38.6	-176.6	-69.3	-173.8	178.6	-178.4	0	113.5	N478 K507	N478-K480 PolarHBondContact O-N 2.79Å; K480-K507 PolarHBondContact O-NZ 2.9Å
481	L	85.1	Confident	92.3	Very high	114 Å²	114	37.2 Å²	37.2	60%	0.597	21%	0.206	S	C	*	.			trans	-76	144.8	-171.7	-63.5	171.1	0	0	0	111.8	G476 P477 N478	G476-L481 WeakPolarHBondContact CA-O 3.31Å; P477-L481 WeakPolarHBondContact CD-O 3.47Å; N478-L481 PolarHBondContact O-N 3.02Å
482	A	92.8	Very high	92.1	Very high	20 Å²	20	41.5 Å²	41.5	17%	0.165	24%	0.237	C	C	.	.			trans	-96.1	170.4	165.8	0	0	0	0	0	109.8	G475 E505	G475-A482 CarbonylContact O-C 3.59Å; G475-A482 VanDerWaalsContact O-CA 3.27Å; G475-A482 WeakPolarHBondContact O-CA 3.46Å; A482-E505 HydrophobicContact CB-CB 4.04Å; A482-E505 HydrophobicContact CB-CG 4.36Å
483	T	94.3	Very high	92	Very high	15 Å²	15	45.2 Å²	45.2	9%	0.092	26%	0.26	C	S	.	.			trans	-127	155	169.1	-174.5	0	0	0	0	108.9	V458 G474 G475 P477 K485	V458-T483 HydrophobicContact CG1-CG2 4.03Å; G474-T483 WeakPolarHBondContact CA-O 3.24Å; G474-T483 WeakPolarHBondContact O-CG2 3.13Å; G475-T483 PolarHBondContact O-N 2.78Å; P477-T483 HydrophobicContact CG-CG2 4.47Å; T483-K485 WeakPolarHBondContact OG1-CG 3.4Å; T483-K485 PolarHBondContact OG1-N 3.19Å
484	D	94.9	Very high	91.9	Very high	63 Å²	63	49 Å²	49	34%	0.337	28%	0.28	S	S	.	.			trans	-100.8	-14.9	174	61.7	-11.3	0	0	0	112.8	T486 A501 M502 E505	D484-T486 PolarHBondContact O-N 2.87Å; D484-A501 HydrophobicContact CB-CB 4.32Å; D484-M502 WeakPolarHBondContact CB-O 3.42Å; D484-M502 WeakPolarHBondContact O-CB 3.34Å; D484-M502 PolarHBondContact O-N 3.41Å; D484-E505 HydrophobicContact CB-CB 4.33Å
485	K	96.8	Very high	92	Very high	87 Å²	87	56 Å²	56	38%	0.378	31%	0.311	S	S	.	.			trans	-50.4	134.5	-178.9	-66.3	179.9	179.1	-177.7	0	113.8	V456 G474 T483	V456-K485 HydrophobicContact CG2-CD 3.8Å; G474-K485 PolarHBondContact N-O 2.89Å; T483-K485 WeakPolarHBondContact OG1-CG 3.4Å; T483-K485 PolarHBondContact OG1-N 3.19Å
486	T	97.7	Very high	92.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.9	169.5	-55.1	0	0	0	0	109.1	Y471 V472 I473 D484 K499 A500 W538	Y471-T486 HydrophobicContact CD1-CG2 4.42Å; V472-T486 CarbonylContact O-C 3.57Å; V472-T486 WeakPolarHBondContact O-CA 3.49Å; I473-T486 HydrophobicContact CG1-CG2 3.93Å; D484-T486 PolarHBondContact O-N 2.87Å; T486-K499 HydrophobicContact CG2-CB 3.83Å; T486-K499 PolarHBondContact O-N 2.78Å; T486-A500 WeakPolarHBondContact CB-O 3.27Å; T486-A500 PolarHBondContact OG1-O 2.86Å; T486-W538 WeakPolarHBondContact OG1-CZ2 3.42Å
487	Q	97.8	Very high	92.3	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.009	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.2	179.5	-50.7	179.2	72.2	0	0	109.1	V456 Y471 V472 W496 S497 L498	V456-Q487 PolarHBondContact O-NE2 3.16Å; V456-Q487 VanDerWaalsContact O-NE2 3.16Å; Y471-Q487 CarbonylContact C-O 3.56Å; Y471-Q487 WeakPolarHBondContact CA-O 3.38Å; V472-Q487 HydrophobicContact CB-CB 4.25Å; V472-Q487 PolarHBondContact N-O 2.71Å; V472-Q487 PolarHBondContact O-N 2.91Å; Q487-W496 HydrophobicContact CB-CE3 3.78Å; Q487-W496 HydrophobicContact CB-CZ3 4.09Å; Q487-S497 CarbonylContact C-O 3.55Å; Q487-S497 WeakPolarHBondContact CA-O 3.5Å; Q487-L498 HydrophobicContact CG-CD2 4.07Å
488	C	98	Very high	92.6	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.007	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.1	-179.6	178.8	0	0	0	0	110.6	L470 Y471 W496 S497 K499	L470-C488 CarbonylContact O-C 3.56Å; L470-C488 VanDerWaalsContact O-CA 3.29Å; L470-C488 WeakPolarHBondContact O-CA 3.43Å; Y471-C488 HydrophobicContact CD1-CB 4.06Å; Y471-C488 HydrophobicContact CE1-CB 3.85Å; Y471-C488 VanDerWaalsContact CE1-SG 3.58Å; C488-W496 CarbonylContact O-C 3.53Å; C488-W496 VanDerWaalsContact O-CA 3.31Å; C488-W496 WeakPolarHBondContact O-CA 3.5Å; C488-S497 PolarHBondContact N-O 2.79Å; C488-S497 PolarHBondContact O-N 2.84Å; C488-S497 PolarHBondContact O-OG 2.86Å; C488-K499 HydrophobicContact CB-CD 4.49Å; C488-K499 HydrophobicContact CB-CG 3.7Å
489	Y	98	Very high	93.3	Very high	10 Å²	10	61.9 Å²	61.9	4%	0.039	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.9	175.1	179.6	-115.6	0	0	0	110.9	Y424 A452 K469 L470 P491 N494 K495 W496	Y424-Y489 AromaticContact CE1-CE1 3.9Å; Y424-Y489 HydrophobicContact CE1-CE1 3.9Å; A452-Y489 HydrophobicContact CB-CE2 4.12Å; K469-Y489 WeakPolarHBondContact CA-O 3.48Å; K469-Y489 WeakPolarHBondContact CB-O 3.4Å; L470-Y489 HydrophobicContact CB-CD1 4.43Å; L470-Y489 HydrophobicContact CD1-CD1 3.63Å; L470-Y489 HydrophobicContact CD1-CE1 4.3Å; L470-Y489 HydrophobicContact CD1-CG 4.37Å; L470-Y489 HydrophobicContact CG-CD1 3.94Å; L470-Y489 PolarHBondContact N-O 3.14Å; L470-Y489 VanDerWaalsContact N-O 3.16Å; L470-Y489 PolarHBondContact O-N 2.9Å; Y489-P491 HydrophobicContact CE1-CB 3.91Å; Y489-N494 WeakPolarHBondContact CE2-OD1 3.47Å; Y489-N494 PolarHBondContact OH-OD1 2.88Å; Y489-K495 WeakPolarHBondContact CA-O 3.34Å; Y489-W496 AromaticContact CD2-CD1 3.84Å; Y489-W496 HydrophobicContact CD2-CD2 4.06Å; Y489-W496 AromaticContact CD2-CE2 3.64Å; Y489-W496 HydrophobicContact CD2-CG 4.16Å; Y489-W496 HydrophobicContact CD2-CZ2 4.13Å; Y489-W496 AromaticContact CD2-NE1 3.49Å; Y489-W496 HydrophobicContact CG-CD2 4.29Å; Y489-W496 AromaticContact CG-CE2 3.88Å; Y489-W496 HydrophobicContact CG-CH2 4.39Å; Y489-W496 AromaticContact CG-CZ2 3.94Å; Y489-W496 HydrophobicContact CG-CZ2 3.94Å
490	D	96	Very high	94.5	Very high	32 Å²	32	60.4 Å²	60.4	17%	0.171	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	109.6	170.4	-165.1	-37	0	0	0	109.9	K469 S492 T493 N494 K495	K469-D490 WeakPolarHBondContact CE-OD2 3.32Å; K469-D490 IonicContact NZ-OD2 3.88Å; K469-D490 PolarHBondContact NZ-OD2 3.3Å; D490-S492 PolarHBondContact O-N 3.18Å; D490-S492 WeakPolarHBondContact OD1-CB 3.25Å; D490-S492 PolarHBondContact OD1-N 3.18Å; D490-S492 PolarHBondContact OD1-OG 2.93Å; D490-T493 PolarHBondContact O-N 2.75Å; D490-T493 PolarHBondContact O-OG1 2.76Å; D490-N494 PolarHBondContact O-N 3.01Å; D490-K495 PolarHBondContact N-O 2.72Å; D490-K495 PolarHBondContact O-N 3.14Å
491	P	93.4	Very high	95.8	Very high	48 Å²	48	53.5 Å²	53.5	31%	0.312	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.8	-178.6	30.6	-39.4	0	0	0	112.8	L419 K468 Y489 T493	L419-P491 HydrophobicContact CD2-CB 4.26Å; L419-P491 HydrophobicContact CD2-CG 3.96Å; K468-P491 VanDerWaalsContact O-CD 3.29Å; K468-P491 WeakPolarHBondContact O-CD 3.43Å; K468-P491 VanDerWaalsContact O-CG 3.31Å; K468-P491 WeakPolarHBondContact O-CG 3.26Å; Y489-P491 HydrophobicContact CE1-CB 3.91Å; P491-T493 VanDerWaalsContact C-N 3.31Å; P491-T493 PolarHBondContact O-N 3.09Å
492	S	94.2	Very high	96.3	Very high	101 Å²	101	48.2 Å²	48.2	71%	0.706	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.9	-179.6	69.9	0	0	0	0	112.7	D490	D490-S492 PolarHBondContact O-N 3.18Å; D490-S492 WeakPolarHBondContact OD1-CB 3.25Å; D490-S492 PolarHBondContact OD1-N 3.18Å; D490-S492 PolarHBondContact OD1-OG 2.93Å
493	T	95.4	Very high	96.3	Very high	78 Å²	78	50.9 Å²	50.9	48%	0.479	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-7.1	178.9	65	0	0	0	0	113	D490 P491 K495	D490-T493 PolarHBondContact O-N 2.75Å; D490-T493 PolarHBondContact O-OG1 2.76Å; P491-T493 VanDerWaalsContact C-N 3.31Å; P491-T493 PolarHBondContact O-N 3.09Å; T493-K495 VanDerWaalsContact C-N 3.27Å; T493-K495 WeakPolarHBondContact O-CG 3.44Å; T493-K495 PolarHBondContact O-N 3.34Å
494	N	95.7	Very high	96.2	Very high	80 Å²	80	53.1 Å²	53.1	43%	0.428	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	48	-171.8	-169.9	23.4	0	0	0	111.7	A452 Y489 D490	A452-N494 WeakPolarHBondContact CB-O 3.05Å; A452-N494 VanDerWaalsContact CB-OD1 3.23Å; A452-N494 WeakPolarHBondContact CB-OD1 3.38Å; A452-N494 PolarHBondContact N-OD1 3.16Å; Y489-N494 WeakPolarHBondContact CE2-OD1 3.47Å; Y489-N494 PolarHBondContact OH-OD1 2.88Å; D490-N494 PolarHBondContact O-N 3.01Å
495	K	97.1	Very high	96.2	Very high	148 Å²	148	55.9 Å²	55.9	64%	0.643	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.6	-177.4	-73.2	178.6	-174.1	-176.9	0	112.1	Y489 D490 T493	Y489-K495 WeakPolarHBondContact CA-O 3.34Å; D490-K495 PolarHBondContact N-O 2.72Å; D490-K495 PolarHBondContact O-N 3.14Å; T493-K495 VanDerWaalsContact C-N 3.27Å; T493-K495 WeakPolarHBondContact O-CG 3.44Å; T493-K495 PolarHBondContact O-N 3.34Å
496	W	98.1	Very high	96	Very high	24 Å²	24	52 Å²	52	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	147.1	171.1	-68.4	89.7	0	0	0	111.1	V438 A452 P453 L454 L455 L470 V472 Q487 C488 Y489	V438-W496 HydrophobicContact CG2-CZ2 4.09Å; A452-W496 PolarHBondContact O-NE1 2.85Å; P453-W496 PolarHBondContact O-NE1 3.01Å; L454-W496 HydrophobicContact CD2-CD2 3.96Å; L454-W496 HydrophobicContact CD2-CE3 3.94Å; L454-W496 HydrophobicContact CD2-CH2 3.38Å; L454-W496 HydrophobicContact CD2-CZ2 3.39Å; L454-W496 HydrophobicContact CD2-CZ3 3.66Å; L454-W496 HydrophobicContact CG-CZ2 4.46Å; L455-W496 HydrophobicContact CD1-CB 4.15Å; L455-W496 HydrophobicContact CD2-CB 4.18Å; L455-W496 HydrophobicContact CG-CB 3.76Å; L470-W496 HydrophobicContact CB-CH2 4.35Å; V472-W496 HydrophobicContact CB-CZ3 4.16Å; V472-W496 HydrophobicContact CG2-CH2 3.66Å; V472-W496 HydrophobicContact CG2-CZ3 3.79Å; Q487-W496 HydrophobicContact CB-CE3 3.78Å; Q487-W496 HydrophobicContact CB-CZ3 4.09Å; C488-W496 CarbonylContact O-C 3.53Å; C488-W496 VanDerWaalsContact O-CA 3.31Å; C488-W496 WeakPolarHBondContact O-CA 3.5Å; Y489-W496 AromaticContact CD2-CD1 3.84Å; Y489-W496 HydrophobicContact CD2-CD2 4.06Å; Y489-W496 AromaticContact CD2-CE2 3.64Å; Y489-W496 HydrophobicContact CD2-CG 4.16Å; Y489-W496 HydrophobicContact CD2-CZ2 4.13Å; Y489-W496 AromaticContact CD2-NE1 3.49Å; Y489-W496 HydrophobicContact CG-CD2 4.29Å; Y489-W496 AromaticContact CG-CE2 3.88Å; Y489-W496 HydrophobicContact CG-CH2 4.39Å; Y489-W496 AromaticContact CG-CZ2 3.94Å; Y489-W496 HydrophobicContact CG-CZ2 3.94Å
497	S	97.5	Very high	95.8	Very high	51 Å²	51	55.8 Å²	55.8	36%	0.357	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.3	175.5	58.2	0	0	0	0	110.4	Q487 C488	Q487-S497 CarbonylContact C-O 3.55Å; Q487-S497 WeakPolarHBondContact CA-O 3.5Å; C488-S497 PolarHBondContact N-O 2.79Å; C488-S497 PolarHBondContact O-N 2.84Å; C488-S497 PolarHBondContact O-OG 2.86Å
498	L	97.9	Very high	95.6	Very high	98 Å²	98	57.2 Å²	57.2	51%	0.513	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	145	172.7	-66.8	175.9	0	0	0	110.6	L455 Q487	L455-L498 HydrophobicContact CD1-CD2 4.05Å; L455-L498 HydrophobicContact CD1-CG 3.9Å; Q487-L498 HydrophobicContact CG-CD2 4.07Å
499	K	97.8	Very high	95.4	Very high	70 Å²	70	57.2 Å²	57.2	30%	0.304	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	178.3	176.6	-66.6	-62.5	179.5	-179.9	0	110.4	T486 C488 A501 Y531 D536	T486-K499 HydrophobicContact CG2-CB 3.83Å; T486-K499 PolarHBondContact O-N 2.78Å; C488-K499 HydrophobicContact CB-CD 4.49Å; C488-K499 HydrophobicContact CB-CG 3.7Å; K499-A501 PolarHBondContact O-N 3.27Å; K499-Y531 WeakPolarHBondContact CB-OH 3.46Å; K499-D536 WeakPolarHBondContact CD-OD2 3.43Å; K499-D536 IonicContact NZ-OD2 2.95Å
500	A	97.1	Very high	95.4	Very high	31 Å²	31	58.2 Å²	58.2	26%	0.256	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-51.6	129.9	177.3	0	0	0	0	0	111	T486 Y531 D536 W538	T486-A500 WeakPolarHBondContact CB-O 3.27Å; T486-A500 PolarHBondContact OG1-O 2.86Å; A500-Y531 HydrophobicContact CB-CE2 4.3Å; A500-D536 WeakPolarHBondContact CB-O 3.42Å; A500-D536 WeakPolarHBondContact CB-OD1 3.42Å; A500-D536 PolarHBondContact N-OD1 2.93Å; A500-W538 PolarHBondContact O-NE1 2.64Å
501	A	96.5	Very high	95.4	Very high	50 Å²	50	57.3 Å²	57.3	41%	0.413	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-66.4	142.6	-179.7	0	0	0	0	0	110.5	D484 K499 W538	D484-A501 HydrophobicContact CB-CB 4.32Å; K499-A501 PolarHBondContact O-N 3.27Å; A501-W538 PolarHBondContact O-NE1 2.91Å
502	M	94.6	Very high	95.4	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.015	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-61.7	143.4	174.8	-174.8	167.8	67.9	0	0	110	I473 D484 V504 A506 I509 V520 M525 W538	I473-M502 HydrophobicContact CG2-CB 4.41Å; I473-M502 HydrophobicContact CG2-CE 4.38Å; I473-M502 HydrophobicContact CG2-SD 3.62Å; D484-M502 WeakPolarHBondContact CB-O 3.42Å; D484-M502 WeakPolarHBondContact O-CB 3.34Å; D484-M502 PolarHBondContact O-N 3.41Å; M502-V504 WeakPolarHBondContact CE-O 3.36Å; M502-V504 PolarHBondContact O-N 3.08Å; M502-V504 VanDerWaalsContact O-N 3.11Å; M502-A506 HydrophobicContact CE-CB 3.81Å; M502-I509 HydrophobicContact CE-CD1 3.92Å; M502-I509 HydrophobicContact SD-CD1 4.37Å; M502-V520 HydrophobicContact SD-CG1 4.17Å; M502-M525 HydrophobicContact CE-SD 4.15Å; M502-M525 HydrophobicContact SD-SD 4.16Å; M502-W538 HydrophobicContact CB-CH2 4.15Å; M502-W538 HydrophobicContact CB-CZ2 3.86Å; M502-W538 HydrophobicContact CG-CE3 4.46Å; M502-W538 HydrophobicContact CG-CH2 3.98Å; M502-W538 HydrophobicContact CG-CZ2 4.19Å; M502-W538 HydrophobicContact CG-CZ3 4.12Å; M502-W538 HydrophobicContact SD-CH2 4.19Å; M502-W538 HydrophobicContact SD-CZ3 4.46Å
503	P	93.8	Very high	95.4	Very high	76 Å²	76	52 Å²	52	49%	0.494	29%	0.289	S	S	.	.	S	Bend	trans	-62.1	-23.7	-175.1	-26.6	35.9	0	0	0	115.2	Y529 W538	P503-Y529 HydrophobicContact CB-CE1 4.2Å; P503-Y529 HydrophobicContact CG-CD1 4.15Å; P503-Y529 HydrophobicContact CG-CE1 4.07Å; P503-W538 HydrophobicContact CG-CB 3.73Å; P503-W538 HydrophobicContact CG-CG 4.12Å
504	V	92.4	Very high	95.2	Very high	62 Å²	62	48.3 Å²	48.3	38%	0.376	27%	0.267	S	S	.	.	S	Bend	trans	-134.2	130.9	-178.1	-177.9	0	0	0	0	107.8	M502 A506 M525 Y529	M502-V504 WeakPolarHBondContact CE-O 3.36Å; M502-V504 PolarHBondContact O-N 3.08Å; M502-V504 VanDerWaalsContact O-N 3.11Å; V504-A506 PolarHBondContact O-N 3.13Å; V504-M525 HydrophobicContact CB-SD 4.45Å; V504-M525 HydrophobicContact CG1-CG 4.37Å; V504-Y529 HydrophobicContact CG2-CE2 4.32Å
505	E	93.5	Very high	94.9	Very high	122 Å²	122	48.9 Å²	48.9	57%	0.57	26%	0.263	S	S	*	.			trans	-68	130.3	171.7	58.4	176.5	-158	0	0	110.8	A482 D484	A482-E505 HydrophobicContact CB-CB 4.04Å; A482-E505 HydrophobicContact CB-CG 4.36Å; D484-E505 HydrophobicContact CB-CB 4.33Å
506	A	93.6	Very high	94.5	Very high	6 Å²	6	46.5 Å²	46.5	5%	0.05	26%	0.257	C	S	.	.			trans	-150.9	150.8	-177.4	0	0	0	0	0	112.9	G475 M502 V504 I509 M525	G475-A506 PolarHBondContact N-O 2.83Å; M502-A506 HydrophobicContact CE-CB 3.81Å; V504-A506 PolarHBondContact O-N 3.13Å; A506-I509 HydrophobicContact CB-CD1 4.49Å; A506-I509 HydrophobicContact CB-CG2 3.63Å; A506-M525 HydrophobicContact CB-CE 4.35Å; A506-M525 HydrophobicContact CB-CG 3.72Å; A506-M525 HydrophobicContact CB-SD 3.69Å
507	K	93.4	Very high	94.4	Very high	78 Å²	78	48.9 Å²	48.9	34%	0.339	27%	0.266	S	S	.	.	S	Bend	trans	-128.1	166.6	168.9	70.2	-173.6	-179.7	-165.1	0	109.3	S460 K480 I509 G523	S460-K507 CarbonylContact O-C 3.55Å; K480-K507 PolarHBondContact O-NZ 2.9Å; K507-I509 VanDerWaalsContact C-N 3.26Å; K507-G523 WeakPolarHBondContact O-CA 3.36Å
508	C	93.4	Very high	94.3	Very high	32 Å²	32	46.4 Å²	46.4	22%	0.216	25%	0.249	C	C	.	.	S	Bend	trans	60.8	38.1	-172.7	-54.3	0	0	0	0	112.3	S460 G523 S550	S460-C508 PolarHBondContact O-N 3.44Å; C508-G523 PolarHBondContact O-N 2.89Å; C508-S550 PolarHBondContact O-N 3.07Å
509	I	95	Very high	94.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	160	179.7	50.5	167.2	0	0	0	111	A462 I473 M502 A506 K507 V520 V521 M525	A462-I509 HydrophobicContact CB-CB 4.18Å; A462-I509 HydrophobicContact CB-CD1 3.71Å; A462-I509 HydrophobicContact CB-CG1 3.7Å; I473-I509 HydrophobicContact CG2-CD1 4.43Å; I473-I509 WeakPolarHBondContact O-CD1 3.4Å; M502-I509 HydrophobicContact CE-CD1 3.92Å; M502-I509 HydrophobicContact SD-CD1 4.37Å; A506-I509 HydrophobicContact CB-CD1 4.49Å; A506-I509 HydrophobicContact CB-CG2 3.63Å; K507-I509 VanDerWaalsContact C-N 3.26Å; I509-V520 HydrophobicContact CB-CG1 4.43Å; I509-V520 HydrophobicContact CD1-CG1 4.16Å; I509-V521 WeakPolarHBondContact CA-O 3.19Å; I509-M525 HydrophobicContact CB-CE 4.45Å; I509-M525 HydrophobicContact CG2-CE 3.54Å
510	N	96.1	Very high	94.2	Very high	32 Å²	32	39.5 Å²	39.5	17%	0.171	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152.5	172.6	-78	-66.8	0	0	0	110.9	K415 A462 V520 V521 C551 I553	K415-N510 WeakPolarHBondContact CE-OD1 3.16Å; K415-N510 PolarHBondContact NZ-OD1 2.96Å; A462-N510 VanDerWaalsContact CB-C 3.5Å; N510-V520 WeakPolarHBondContact O-CA 3.36Å; N510-V521 PolarHBondContact N-O 2.76Å; N510-V521 PolarHBondContact O-N 3.17Å; N510-C551 PolarHBondContact ND2-O 3.11Å; N510-I553 HydrophobicContact CB-CG2 3.72Å
511	A	96	Very high	94.2	Very high	12 Å²	12	38 Å²	38	10%	0.099	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.7	178.3	0	0	0	0	0	111	A462 T464 I473 I518 Y519 V520	A462-A511 HydrophobicContact CB-CB 3.66Å; T464-A511 HydrophobicContact CG2-CB 4.3Å; I473-A511 HydrophobicContact CD1-CB 4.37Å; A511-I518 HydrophobicContact CB-CG2 4.1Å; A511-Y519 CarbonylContact C-O 3.5Å; A511-Y519 WeakPolarHBondContact CA-O 3.47Å; A511-V520 HydrophobicContact CB-CG2 4Å
512	V	94.7	Very high	94.1	Very high	14 Å²	14	35.6 Å²	35.6	9%	0.085	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	137.2	173.2	68	0	0	0	0	109.9	Y519 I553 P555 L560	V512-Y519 PolarHBondContact N-O 2.9Å; V512-Y519 PolarHBondContact O-N 3.3Å; V512-I553 HydrophobicContact CB-CG2 4.27Å; V512-I553 HydrophobicContact CG1-CD1 3.71Å; V512-I553 HydrophobicContact CG1-CG1 3.83Å; V512-I553 HydrophobicContact CG1-CG2 4.27Å; V512-P555 HydrophobicContact CG2-CB 4.4Å; V512-P555 VanDerWaalsContact CG2-CD 3.44Å; V512-P555 HydrophobicContact CG2-CG 3.66Å; V512-L560 HydrophobicContact CG1-CD2 3.63Å
513	S	93.4	Very high	93.9	Very high	24 Å²	24	35.6 Å²	35.6	17%	0.168	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.3	164.3	175.4	0	0	0	0	110	T464 S465 H466	T464-S513 PolarHBondContact OG1-N 3.34Å; S465-S513 WeakPolarHBondContact O-CB 3.36Å; S465-S513 PolarHBondContact O-OG 3Å; H466-S513 PolarHBondContact ND1-OG 3.39Å
514	F	92	Very high	93.6	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	121.8	178.1	178	-104.8	0	0	0	109.8	I305 D516 R517 Y519 P555 N558 L560 P581	I305-F514 HydrophobicContact CD1-CD2 4.14Å; I305-F514 HydrophobicContact CG2-CD2 4.17Å; I305-F514 HydrophobicContact CG2-CE2 3.89Å; F514-D516 PolarHBondContact O-N 2.79Å; F514-R517 PolarHBondContact N-O 3.24Å; F514-R517 PolarHBondContact O-N 3.34Å; F514-R517 VanDerWaalsContact O-O 3.05Å; F514-Y519 HydrophobicContact CB-CD2 3.85Å; F514-Y519 HydrophobicContact CB-CE2 3.92Å; F514-Y519 HydrophobicContact CD1-CD2 4.38Å; F514-Y519 AromaticContact CD1-CE2 3.78Å; F514-Y519 HydrophobicContact CD1-CE2 3.78Å; F514-Y519 HydrophobicContact CG-CE2 4.36Å; F514-P555 HydrophobicContact CD2-CB 3.7Å; F514-P555 HydrophobicContact CE2-CB 4.34Å; F514-N558 WeakPolarHBondContact CZ-O 3.33Å; F514-N558 WeakPolarHBondContact CZ-OD1 3.12Å; F514-L560 HydrophobicContact CB-CD1 4.37Å; F514-L560 HydrophobicContact CB-CD2 3.67Å; F514-L560 HydrophobicContact CB-CG 4.28Å; F514-L560 HydrophobicContact CD1-CD1 3.88Å; F514-L560 HydrophobicContact CD1-CD2 4.06Å; F514-L560 HydrophobicContact CD1-CG 3.77Å; F514-L560 HydrophobicContact CD2-CD2 3.91Å; F514-L560 HydrophobicContact CD2-CG 4.31Å; F514-L560 HydrophobicContact CE1-CG 4.17Å; F514-L560 HydrophobicContact CG-CD1 4.23Å; F514-L560 HydrophobicContact CG-CD2 3.6Å; F514-L560 HydrophobicContact CG-CG 3.85Å; F514-P581 HydrophobicContact CE1-CB 4.28Å; F514-P581 HydrophobicContact CE1-CG 3.96Å; F514-P581 HydrophobicContact CZ-CG 4.15Å
515	R	88.5	Confident	93.6	Very high	92 Å²	92	32.6 Å²	32.6	35%	0.347	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-126.6	-169.8	-56.3	179.8	179	-173.3	-2.4	110.2	H466 N558 P581 E582	H466-R515 PolarHBondContact CE1-O 2.86Å; R515-N558 PolarHBondContact NE-OD1 3.07Å; R515-N558 PolarHBondContact NH2-ND2 3.47Å; R515-N558 PolarHBondContact NH2-OD1 2.96Å; R515-P581 VanDerWaalsContact CZ-CG 3.48Å; R515-E582 IonicContact NH2-OE1 3.89Å
516	D	89.5	Confident	93.5	Very high	97 Å²	97	32.4 Å²	32.4	52%	0.519	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	8.1	-177	-73.1	-58.1	0	0	0	115.4	H466 K467 F514	H466-D516 VanDerWaalsContact CE1-C 3.42Å; K467-D516 WeakPolarHBondContact CE-OD1 3.44Å; K467-D516 IonicContact NZ-OD1 3.24Å; K467-D516 PolarHBondContact NZ-OD1 3.01Å; F514-D516 PolarHBondContact O-N 2.79Å
517	R	94.8	Very high	93.6	Very high	74 Å²	74	32.4 Å²	32.4	28%	0.279	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	161.6	-174.5	-65.4	-179	179.8	-101.8	-8.2	112.3	F514 Y519 A530 C539	F514-R517 PolarHBondContact N-O 3.24Å; F514-R517 PolarHBondContact O-N 3.34Å; F514-R517 VanDerWaalsContact O-O 3.05Å; R517-Y519 HydrophobicContact CB-CD2 4.44Å; R517-Y519 HydrophobicContact CB-CE2 3.86Å; R517-A530 HydrophobicContact CB-CB 4.34Å; R517-C539 PolarHBondContact NH1-SG 3.25Å; R517-C539 VanDerWaalsContact NH1-SG 3.37Å
518	I	96.9	Very high	93.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.5	171.2	-63	176.1	0	0	0	108.1	T464 H466 Y471 I473 A511 V520 A530 Y531 P533	T464-I518 HydrophobicContact CG2-CB 4.31Å; T464-I518 HydrophobicContact CG2-CD1 3.85Å; T464-I518 HydrophobicContact CG2-CG1 3.89Å; T464-I518 HydrophobicContact CG2-CG2 3.56Å; H466-I518 HydrophobicContact CB-CD1 3.71Å; H466-I518 HydrophobicContact CB-CG1 3.83Å; Y471-I518 HydrophobicContact CD1-CD1 4.02Å; Y471-I518 HydrophobicContact CD2-CD1 3.38Å; Y471-I518 HydrophobicContact CE1-CD1 4.46Å; Y471-I518 HydrophobicContact CE2-CD1 3.9Å; Y471-I518 HydrophobicContact CG-CD1 3.46Å; Y471-I518 VanDerWaalsContact CG-CD1 3.46Å; I473-I518 HydrophobicContact CD1-CG2 3.89Å; A511-I518 HydrophobicContact CB-CG2 4.1Å; I518-V520 HydrophobicContact CG2-CG2 4.22Å; I518-A530 CarbonylContact O-C 3.48Å; I518-A530 VanDerWaalsContact O-CA 3.27Å; I518-A530 WeakPolarHBondContact O-CA 3.47Å; I518-Y531 HydrophobicContact CB-CD1 4.48Å; I518-Y531 HydrophobicContact CD1-CD1 4.18Å; I518-Y531 PolarHBondContact N-O 2.73Å; I518-Y531 PolarHBondContact O-N 2.84Å; I518-P533 HydrophobicContact CD1-CG 3.93Å; I518-P533 HydrophobicContact CG1-CG 4.18Å
519	Y	96.9	Very high	93.9	Very high	22 Å²	22	28.9 Å²	28.9	9%	0.086	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.1	179.7	-68.7	-100	0	0	0	110	A511 V512 F514 R517 L528 Y529 A530 V541 L560	A511-Y519 CarbonylContact C-O 3.5Å; A511-Y519 WeakPolarHBondContact CA-O 3.47Å; V512-Y519 PolarHBondContact N-O 2.9Å; V512-Y519 PolarHBondContact O-N 3.3Å; F514-Y519 HydrophobicContact CB-CD2 3.85Å; F514-Y519 HydrophobicContact CB-CE2 3.92Å; F514-Y519 HydrophobicContact CD1-CD2 4.38Å; F514-Y519 AromaticContact CD1-CE2 3.78Å; F514-Y519 HydrophobicContact CD1-CE2 3.78Å; F514-Y519 HydrophobicContact CG-CE2 4.36Å; R517-Y519 HydrophobicContact CB-CD2 4.44Å; R517-Y519 HydrophobicContact CB-CE2 3.86Å; Y519-L528 HydrophobicContact CD1-CD1 4.28Å; Y519-L528 HydrophobicContact CD1-CD2 4.13Å; Y519-L528 HydrophobicContact CD1-CG 4.19Å; Y519-Y529 CarbonylContact C-O 3.39Å; Y519-Y529 WeakPolarHBondContact CA-O 3.46Å; Y519-A530 HydrophobicContact CD1-CB 3.96Å; Y519-A530 HydrophobicContact CE1-CB 3.9Å; Y519-A530 HydrophobicContact CG-CB 4.44Å; Y519-V541 HydrophobicContact CD1-CG2 4.14Å; Y519-V541 HydrophobicContact CE1-CG1 4.38Å; Y519-V541 HydrophobicContact CE1-CG2 3.89Å; Y519-L560 HydrophobicContact CD1-CD1 3.54Å; Y519-L560 HydrophobicContact CD2-CD1 3.71Å; Y519-L560 HydrophobicContact CE1-CD1 3.87Å; Y519-L560 HydrophobicContact CE2-CD1 4.04Å; Y519-L560 HydrophobicContact CG-CD1 3.44Å; Y519-L560 VanDerWaalsContact CG-CD1 3.44Å
520	V	97.2	Very high	94	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.8	-176.8	-169.3	0	0	0	0	110.1	A462 I473 M502 I509 N510 A511 I518 M525 Y529 W538	A462-V520 HydrophobicContact CB-CG1 4.14Å; I473-V520 HydrophobicContact CD1-CG2 3.78Å; I473-V520 HydrophobicContact CG2-CG1 4.47Å; I473-V520 HydrophobicContact CG2-CG2 4.44Å; M502-V520 HydrophobicContact SD-CG1 4.17Å; I509-V520 HydrophobicContact CB-CG1 4.43Å; I509-V520 HydrophobicContact CD1-CG1 4.16Å; N510-V520 WeakPolarHBondContact O-CA 3.36Å; A511-V520 HydrophobicContact CB-CG2 4Å; I518-V520 HydrophobicContact CG2-CG2 4.22Å; V520-M525 HydrophobicContact CG1-CE 4.16Å; V520-Y529 PolarHBondContact N-O 2.92Å; V520-Y529 PolarHBondContact O-N 3Å; V520-W538 HydrophobicContact CB-CZ3 4.32Å; V520-W538 HydrophobicContact CG2-CH2 3.83Å; V520-W538 HydrophobicContact CG2-CZ3 3.82Å
521	V	96.3	Very high	94.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.8	-179.7	69.6	0	0	0	0	111.2	I509 N510 L528 L544 I553 I562	I509-V521 WeakPolarHBondContact CA-O 3.19Å; N510-V521 PolarHBondContact N-O 2.76Å; N510-V521 PolarHBondContact O-N 3.17Å; V521-L528 HydrophobicContact CB-CD1 3.93Å; V521-L528 HydrophobicContact CG2-CD1 4.5Å; V521-L544 HydrophobicContact CG2-CD1 3.74Å; V521-I553 HydrophobicContact CG1-CB 3.84Å; V521-I553 HydrophobicContact CG1-CD1 3.71Å; V521-I553 HydrophobicContact CG1-CG1 4.24Å; V521-I553 HydrophobicContact CG1-CG2 4.16Å; V521-I562 HydrophobicContact CG1-CG1 4.33Å; V521-I562 HydrophobicContact CG1-CG2 4.4Å; V521-I562 HydrophobicContact CG2-CD1 4.11Å
522	G	93.8	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.8	-158.4	170.8	0	0	0	0	0	113	M525 R548	G522-M525 VanDerWaalsContact O-CB 3.27Å; G522-M525 WeakPolarHBondContact O-CB 3.34Å; G522-M525 WeakPolarHBondContact O-CE 3.41Å; G522-M525 PolarHBondContact O-N 2.92Å; G522-M525 VanDerWaalsContact O-N 3.15Å; G522-R548 VanDerWaalsContact CA-O 3.26Å; G522-R548 WeakPolarHBondContact CA-O 3.28Å
523	G	90.3	Very high	94.2	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.021	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	-148.5	-169.2	0	0	0	0	0	112.1	K507 C508 M525 A549	K507-G523 WeakPolarHBondContact O-CA 3.36Å; C508-G523 PolarHBondContact O-N 2.89Å; G523-M525 PolarHBondContact O-N 3.24Å; G523-A549 PolarHBondContact O-N 2.77Å
524	A	88.1	Confident	94.2	Very high	69 Å²	69	32.3 Å²	32.3	57%	0.57	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	10.2	171.9	0	0	0	0	0	112.8
525	M	91.6	Very high	94.4	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.03	19%	0.187	C	C	.	.			trans	-80.1	128	178.5	-53.4	-174.3	-56.6	0	0	109.7	M502 V504 A506 I509 V520 G522 G523 A527 Y529	M502-M525 HydrophobicContact CE-SD 4.15Å; M502-M525 HydrophobicContact SD-SD 4.16Å; V504-M525 HydrophobicContact CB-SD 4.45Å; V504-M525 HydrophobicContact CG1-CG 4.37Å; A506-M525 HydrophobicContact CB-CE 4.35Å; A506-M525 HydrophobicContact CB-CG 3.72Å; A506-M525 HydrophobicContact CB-SD 3.69Å; I509-M525 HydrophobicContact CB-CE 4.45Å; I509-M525 HydrophobicContact CG2-CE 3.54Å; V520-M525 HydrophobicContact CG1-CE 4.16Å; G522-M525 VanDerWaalsContact O-CB 3.27Å; G522-M525 WeakPolarHBondContact O-CB 3.34Å; G522-M525 WeakPolarHBondContact O-CE 3.41Å; G522-M525 PolarHBondContact O-N 2.92Å; G522-M525 VanDerWaalsContact O-N 3.15Å; G523-M525 PolarHBondContact O-N 3.24Å; M525-A527 PolarHBondContact O-N 3.17Å; M525-Y529 HydrophobicContact SD-CD2 4.15Å; M525-Y529 HydrophobicContact SD-CE2 4.19Å
526	R	93	Very high	94.8	Very high	118 Å²	118	36.7 Å²	36.7	45%	0.445	19%	0.186	S	C	.	.			trans	-94.4	38.7	172.8	-61.8	171.9	66.9	143	7.9	111.1	Q543 L544 S545 E547 E568	R526-Q543 CarbonylContact O-C 3.59Å; R526-Q543 WeakPolarHBondContact O-CA 3.46Å; R526-L544 PolarHBondContact O-N 3.05Å; R526-S545 PolarHBondContact NH2-O 3Å; R526-E547 HydrophobicContact CG-CG 3.67Å; R526-E568 IonicContact CZ-OE1 2.68Å; R526-E568 IonicContact NE-OE1 3.07Å; R526-E568 IonicContact NH1-OE1 2.87Å; R526-E568 PolarHBondContact NH1-OE1 3.04Å; R526-E568 IonicContact NH1-OE2 3.52Å; R526-E568 IonicContact NH2-OE1 2.78Å
527	A	94.8	Very high	95.1	Very high	6 Å²	6	34 Å²	34	5%	0.05	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	150.9	-171.7	0	0	0	0	0	112.1	M525 Y529 L540 T542	M525-A527 PolarHBondContact O-N 3.17Å; A527-Y529 HydrophobicContact CB-CD2 4.13Å; A527-Y529 HydrophobicContact CB-CE2 3.62Å; A527-L540 HydrophobicContact CB-CD1 3.54Å; A527-T542 WeakPolarHBondContact CA-O 3.34Å
528	L	96.3	Very high	95.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.1	162.8	179.7	65.1	0	0	0	107.7	Y519 V521 V541 T542 I553 W579	Y519-L528 HydrophobicContact CD1-CD1 4.28Å; Y519-L528 HydrophobicContact CD1-CD2 4.13Å; Y519-L528 HydrophobicContact CD1-CG 4.19Å; V521-L528 HydrophobicContact CB-CD1 3.93Å; V521-L528 HydrophobicContact CG2-CD1 4.5Å; L528-V541 HydrophobicContact CB-CB 4.33Å; L528-V541 HydrophobicContact CD2-CB 4.17Å; L528-V541 HydrophobicContact CD2-CG1 3.96Å; L528-V541 HydrophobicContact CG-CB 4.1Å; L528-V541 HydrophobicContact CG-CG1 4.44Å; L528-V541 HydrophobicContact CG-CG2 4.44Å; L528-V541 WeakPolarHBondContact O-CB 3.35Å; L528-V541 PolarHBondContact O-N 2.89Å; L528-T542 HydrophobicContact CB-CG2 3.93Å; L528-T542 HydrophobicContact CD2-CG2 4.28Å; L528-T542 PolarHBondContact N-O 3.33Å; L528-T542 PolarHBondContact O-N 3.25Å; L528-I553 HydrophobicContact CD1-CD1 4.18Å; L528-W579 HydrophobicContact CD2-CB 4.34Å; L528-W579 HydrophobicContact CD2-CD2 4.38Å; L528-W579 HydrophobicContact CD2-CG 4.12Å
529	Y	97.1	Very high	95.2	Very high	35 Å²	35	34.5 Å²	34.5	14%	0.137	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	148.7	174.4	-71	-76.2	0	0	0	110.4	P503 V504 Y519 V520 M525 A527 C539 L540	P503-Y529 HydrophobicContact CB-CE1 4.2Å; P503-Y529 HydrophobicContact CG-CD1 4.15Å; P503-Y529 HydrophobicContact CG-CE1 4.07Å; V504-Y529 HydrophobicContact CG2-CE2 4.32Å; Y519-Y529 CarbonylContact C-O 3.39Å; Y519-Y529 WeakPolarHBondContact CA-O 3.46Å; V520-Y529 PolarHBondContact N-O 2.92Å; V520-Y529 PolarHBondContact O-N 3Å; M525-Y529 HydrophobicContact SD-CD2 4.15Å; M525-Y529 HydrophobicContact SD-CE2 4.19Å; A527-Y529 HydrophobicContact CB-CD2 4.13Å; A527-Y529 HydrophobicContact CB-CE2 3.62Å; Y529-C539 WeakPolarHBondContact CA-O 2.99Å; Y529-L540 HydrophobicContact CD1-CB 4.29Å; Y529-L540 HydrophobicContact CD1-CD1 4.22Å; Y529-L540 HydrophobicContact CE1-CB 4.05Å; Y529-L540 HydrophobicContact CE1-CD1 3.82Å
530	A	97.4	Very high	95.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.1	168.9	0	0	0	0	0	110.4	R517 I518 Y519 W538 C539 V541	R517-A530 HydrophobicContact CB-CB 4.34Å; I518-A530 CarbonylContact O-C 3.48Å; I518-A530 VanDerWaalsContact O-CA 3.27Å; I518-A530 WeakPolarHBondContact O-CA 3.47Å; Y519-A530 HydrophobicContact CD1-CB 3.96Å; Y519-A530 HydrophobicContact CE1-CB 3.9Å; Y519-A530 HydrophobicContact CG-CB 4.44Å; A530-W538 WeakPolarHBondContact O-CA 3.37Å; A530-C539 PolarHBondContact N-O 3.28Å; A530-C539 PolarHBondContact O-N 3.22Å; A530-C539 PolarHBondContact O-SG 2.96Å; A530-V541 HydrophobicContact CB-CG2 3.46Å; A530-V541 VanDerWaalsContact CB-CG2 3.46Å
531	Y	97.9	Very high	95.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.1	173	174.2	-110.9	0	0	0	109.2	Y471 K499 A500 I518 P533 D536 S537 W538	Y471-Y531 HydrophobicContact CD1-CE1 4Å; Y471-Y531 AromaticContact CE1-CE1 3.82Å; Y471-Y531 HydrophobicContact CE1-CE1 3.82Å; K499-Y531 WeakPolarHBondContact CB-OH 3.46Å; A500-Y531 HydrophobicContact CB-CE2 4.3Å; I518-Y531 HydrophobicContact CB-CD1 4.48Å; I518-Y531 HydrophobicContact CD1-CD1 4.18Å; I518-Y531 PolarHBondContact N-O 2.73Å; I518-Y531 PolarHBondContact O-N 2.84Å; Y531-P533 HydrophobicContact CD1-CG 3.86Å; Y531-P533 HydrophobicContact CE1-CB 3.96Å; Y531-P533 HydrophobicContact CE1-CG 3.75Å; Y531-P533 WeakPolarHBondContact O-CD 3.42Å; Y531-D536 PolarHBondContact OH-OD1 3Å; Y531-S537 WeakPolarHBondContact CA-O 3.42Å; Y531-S537 WeakPolarHBondContact CD2-O 3.47Å; Y531-W538 AromaticContact CD2-CD1 3.81Å; Y531-W538 AromaticContact CD2-CD2 3.86Å; Y531-W538 HydrophobicContact CD2-CD2 3.86Å; Y531-W538 AromaticContact CD2-CE2 3.48Å; Y531-W538 VanDerWaalsContact CD2-CE2 3.48Å; Y531-W538 HydrophobicContact CD2-CG 4.06Å; Y531-W538 AromaticContact CD2-CZ2 3.96Å; Y531-W538 HydrophobicContact CD2-CZ2 3.96Å; Y531-W538 AromaticContact CD2-NE1 3.43Å; Y531-W538 AromaticContact CE2-NE1 3.92Å; Y531-W538 HydrophobicContact CG-CD2 4.26Å; Y531-W538 AromaticContact CG-CE2 3.93Å; Y531-W538 HydrophobicContact CG-CH2 4.35Å; Y531-W538 AromaticContact CG-CZ2 3.98Å; Y531-W538 HydrophobicContact CG-CZ2 3.98Å
532	S	96.8	Very high	95.1	Very high	6 Å²	6	41 Å²	41	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	104.5	174.6	179.9	0	0	0	0	109	L534 E535 D536 S537	S532-L534 PolarHBondContact O-N 3.08Å; S532-E535 PolarHBondContact O-N 2.89Å; S532-E535 PolarHBondContact OG-N 2.89Å; S532-D536 WeakPolarHBondContact O-CA 3.13Å; S532-D536 PolarHBondContact O-N 3.09Å; S532-S537 PolarHBondContact N-O 2.93Å; S532-S537 PolarHBondContact O-N 3.25Å
533	P	94.9	Very high	95.1	Very high	21 Å²	21	47.9 Å²	47.9	14%	0.136	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-19	-179.9	-22.5	36.6	0	0	0	114	Y471 I518 Y531	Y471-P533 HydrophobicContact CE1-CB 4.24Å; Y471-P533 HydrophobicContact CE1-CG 4.48Å; Y471-P533 WeakPolarHBondContact OH-CB 3.42Å; I518-P533 HydrophobicContact CD1-CG 3.93Å; I518-P533 HydrophobicContact CG1-CG 4.18Å; Y531-P533 HydrophobicContact CD1-CG 3.86Å; Y531-P533 HydrophobicContact CE1-CB 3.96Å; Y531-P533 HydrophobicContact CE1-CG 3.75Å; Y531-P533 WeakPolarHBondContact O-CD 3.42Å
534	L	94.1	Very high	95.2	Very high	129 Å²	129	48.2 Å²	48.2	68%	0.675	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-44.1	174.7	-76.6	167.2	0	0	0	111.6	S532	S532-L534 PolarHBondContact O-N 3.08Å
535	E	95.6	Very high	95.2	Very high	126 Å²	126	49.4 Å²	49.4	59%	0.589	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-11	-177.9	-64.7	172.2	176	0	0	112.9	S532 S537	S532-E535 PolarHBondContact O-N 2.89Å; S532-E535 PolarHBondContact OG-N 2.89Å; E535-S537 VanDerWaalsContact C-N 3.28Å; E535-S537 WeakPolarHBondContact CB-OG 3.23Å; E535-S537 PolarHBondContact O-N 3.11Å; E535-S537 PolarHBondContact OE2-OG 3.05Å; E535-S537 VanDerWaalsContact OE2-OG 3.13Å
536	D	97	Very high	95.1	Very high	59 Å²	59	54.2 Å²	54.2	32%	0.316	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	48	-170.8	-157.6	-2.9	0	0	0	111.4	K499 A500 Y531 S532	K499-D536 WeakPolarHBondContact CD-OD2 3.43Å; K499-D536 IonicContact NZ-OD2 2.95Å; A500-D536 WeakPolarHBondContact CB-O 3.42Å; A500-D536 WeakPolarHBondContact CB-OD1 3.42Å; A500-D536 PolarHBondContact N-OD1 2.93Å; Y531-D536 PolarHBondContact OH-OD1 3Å; S532-D536 WeakPolarHBondContact O-CA 3.13Å; S532-D536 PolarHBondContact O-N 3.09Å
537	S	97.5	Very high	95	Very high	39 Å²	39	51 Å²	51	27%	0.273	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.9	-171.5	76	0	0	0	0	112.1	Y531 S532 E535	Y531-S537 WeakPolarHBondContact CA-O 3.42Å; Y531-S537 WeakPolarHBondContact CD2-O 3.47Å; S532-S537 PolarHBondContact N-O 2.93Å; S532-S537 PolarHBondContact O-N 3.25Å; E535-S537 VanDerWaalsContact C-N 3.28Å; E535-S537 WeakPolarHBondContact CB-OG 3.23Å; E535-S537 PolarHBondContact O-N 3.11Å; E535-S537 PolarHBondContact OE2-OG 3.05Å; E535-S537 VanDerWaalsContact OE2-OG 3.13Å
538	W	97.8	Very high	94.9	Very high	41 Å²	41	51.4 Å²	51.4	16%	0.155	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142.7	177.8	-71.6	90.6	0	0	0	111	I473 T486 A500 A501 M502 P503 V520 A530 Y531	I473-W538 HydrophobicContact CD1-CH2 4.08Å; I473-W538 HydrophobicContact CG1-CH2 4.44Å; I473-W538 HydrophobicContact CG2-CH2 3.73Å; I473-W538 HydrophobicContact CG2-CZ2 4.1Å; T486-W538 WeakPolarHBondContact OG1-CZ2 3.42Å; A500-W538 PolarHBondContact O-NE1 2.64Å; A501-W538 PolarHBondContact O-NE1 2.91Å; M502-W538 HydrophobicContact CB-CH2 4.15Å; M502-W538 HydrophobicContact CB-CZ2 3.86Å; M502-W538 HydrophobicContact CG-CE3 4.46Å; M502-W538 HydrophobicContact CG-CH2 3.98Å; M502-W538 HydrophobicContact CG-CZ2 4.19Å; M502-W538 HydrophobicContact CG-CZ3 4.12Å; M502-W538 HydrophobicContact SD-CH2 4.19Å; M502-W538 HydrophobicContact SD-CZ3 4.46Å; P503-W538 HydrophobicContact CG-CB 3.73Å; P503-W538 HydrophobicContact CG-CG 4.12Å; V520-W538 HydrophobicContact CB-CZ3 4.32Å; V520-W538 HydrophobicContact CG2-CH2 3.83Å; V520-W538 HydrophobicContact CG2-CZ3 3.82Å; A530-W538 WeakPolarHBondContact O-CA 3.37Å; Y531-W538 AromaticContact CD2-CD1 3.81Å; Y531-W538 AromaticContact CD2-CD2 3.86Å; Y531-W538 HydrophobicContact CD2-CD2 3.86Å; Y531-W538 AromaticContact CD2-CE2 3.48Å; Y531-W538 VanDerWaalsContact CD2-CE2 3.48Å; Y531-W538 HydrophobicContact CD2-CG 4.06Å; Y531-W538 AromaticContact CD2-CZ2 3.96Å; Y531-W538 HydrophobicContact CD2-CZ2 3.96Å; Y531-W538 AromaticContact CD2-NE1 3.43Å; Y531-W538 AromaticContact CE2-NE1 3.92Å; Y531-W538 HydrophobicContact CG-CD2 4.26Å; Y531-W538 AromaticContact CG-CE2 3.93Å; Y531-W538 HydrophobicContact CG-CH2 4.35Å; Y531-W538 AromaticContact CG-CZ2 3.98Å; Y531-W538 HydrophobicContact CG-CZ2 3.98Å
539	C	96.1	Very high	94.7	Very high	45 Å²	45	52.7 Å²	52.7	30%	0.304	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.7	171.7	65.4	0	0	0	0	111.5	R517 Y529 A530	R517-C539 PolarHBondContact NH1-SG 3.25Å; R517-C539 VanDerWaalsContact NH1-SG 3.37Å; Y529-C539 WeakPolarHBondContact CA-O 2.99Å; A530-C539 PolarHBondContact N-O 3.28Å; A530-C539 PolarHBondContact O-N 3.22Å; A530-C539 PolarHBondContact O-SG 2.96Å
540	L	96.7	Very high	94.4	Very high	88 Å²	88	51.7 Å²	51.7	46%	0.461	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	123.9	168.7	176.1	63.8	0	0	0	108.7	A527 Y529 Q543	A527-L540 HydrophobicContact CB-CD1 3.54Å; Y529-L540 HydrophobicContact CD1-CB 4.29Å; Y529-L540 HydrophobicContact CD1-CD1 4.22Å; Y529-L540 HydrophobicContact CE1-CB 4.05Å; Y529-L540 HydrophobicContact CE1-CD1 3.82Å; L540-Q543 HydrophobicContact CD2-CG 4.23Å
541	V	95.9	Very high	94.2	Very high	37 Å²	37	51.7 Å²	51.7	22%	0.224	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-53.7	179	-179.9	0	0	0	0	110.2	Y519 L528 A530 W579	Y519-V541 HydrophobicContact CD1-CG2 4.14Å; Y519-V541 HydrophobicContact CE1-CG1 4.38Å; Y519-V541 HydrophobicContact CE1-CG2 3.89Å; L528-V541 HydrophobicContact CB-CB 4.33Å; L528-V541 HydrophobicContact CD2-CB 4.17Å; L528-V541 HydrophobicContact CD2-CG1 3.96Å; L528-V541 HydrophobicContact CG-CB 4.1Å; L528-V541 HydrophobicContact CG-CG1 4.44Å; L528-V541 HydrophobicContact CG-CG2 4.44Å; L528-V541 WeakPolarHBondContact O-CB 3.35Å; L528-V541 PolarHBondContact O-N 2.89Å; A530-V541 HydrophobicContact CB-CG2 3.46Å; A530-V541 VanDerWaalsContact CB-CG2 3.46Å; V541-W579 HydrophobicContact CG1-CD2 4.06Å; V541-W579 VanDerWaalsContact CG1-CE2 3.44Å; V541-W579 HydrophobicContact CG1-CE3 4.43Å; V541-W579 HydrophobicContact CG1-CH2 3.69Å; V541-W579 HydrophobicContact CG1-CZ2 3.25Å; V541-W579 HydrophobicContact CG1-CZ3 4.26Å
542	T	95.3	Very high	94	Very high	33 Å²	33	51.9 Å²	51.9	20%	0.202	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	156.4	177.3	-174.2	0	0	0	0	110.4	A527 L528 W579 L586	A527-T542 WeakPolarHBondContact CA-O 3.34Å; L528-T542 HydrophobicContact CB-CG2 3.93Å; L528-T542 HydrophobicContact CD2-CG2 4.28Å; L528-T542 PolarHBondContact N-O 3.33Å; L528-T542 PolarHBondContact O-N 3.25Å; T542-W579 HydrophobicContact CG2-CE3 3.9Å; T542-W579 HydrophobicContact CG2-CZ3 3.87Å; T542-L586 HydrophobicContact CG2-CB 4.48Å; T542-L586 HydrophobicContact CG2-CD2 4.2Å
543	Q	94.1	Very high	93.8	Very high	144 Å²	144	52.2 Å²	52.2	67%	0.673	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	147.8	169.8	-67.3	-176	-18.5	0	0	110.6	R526 L540	R526-Q543 CarbonylContact O-C 3.59Å; R526-Q543 WeakPolarHBondContact O-CA 3.46Å; L540-Q543 HydrophobicContact CD2-CG 4.23Å
544	L	91.7	Very high	93.7	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.047	28%	0.278	C	S	.	.			trans	-103.6	144.9	175.5	-57	179.4	0	0	0	109.2	V521 R526 H546 L577 L586	V521-L544 HydrophobicContact CG2-CD1 3.74Å; R526-L544 PolarHBondContact O-N 3.05Å; L544-H546 VanDerWaalsContact C-N 3.27Å; L544-H546 PolarHBondContact O-N 2.68Å; L544-L577 HydrophobicContact CD2-CD1 4.09Å; L544-L586 HydrophobicContact CD2-CD2 3.47Å; L544-L586 VanDerWaalsContact CD2-CD2 3.47Å
545	S	88.5	Confident	93.5	Very high	95 Å²	95	46.4 Å²	46.4	66%	0.664	25%	0.253	S	S	*	.	S	Bend	trans	-63.9	-33.9	178.6	-49.3	0	0	0	0	112.9	R526	R526-S545 PolarHBondContact NH2-O 3Å
546	H	88.4	Confident	93.2	Very high	106 Å²	106	40.4 Å²	40.4	49%	0.491	23%	0.225	S	C	.	.	S	Bend	trans	-134.8	156.4	-176.5	-58.7	-66.2	0	0	0	110.9	L544	L544-H546 VanDerWaalsContact C-N 3.27Å; L544-H546 PolarHBondContact O-N 2.68Å
547	E	91.8	Very high	92.6	Very high	50 Å²	50	38 Å²	38	23%	0.234	21%	0.212	C	C	.	.			trans	-58.9	149.6	164.6	-67.3	179.1	-162.3	0	0	110.8	R526 R566 D567 E568	R526-E547 HydrophobicContact CG-CG 3.67Å; E547-R566 CarbonylContact C-O 3.58Å; E547-D567 WeakPolarHBondContact O-CA 3.43Å; E547-E568 HydrophobicContact CB-CG 3.76Å; E547-E568 HydrophobicContact CG-CG 3.62Å
548	R	92.8	Very high	92.1	Very high	15 Å²	15	36.4 Å²	36.4	6%	0.057	20%	0.2	C	C	.	.			trans	-138.2	61	180	-67.3	-166.5	170.1	-119.2	3.1	110.3	G522 S550 C551 G564 R566 I573 T575 L577	G522-R548 VanDerWaalsContact CA-O 3.26Å; G522-R548 WeakPolarHBondContact CA-O 3.28Å; R548-S550 PolarHBondContact O-N 2.89Å; R548-C551 HydrophobicContact CB-CB 4.02Å; R548-C551 WeakPolarHBondContact O-CB 3.43Å; R548-C551 PolarHBondContact O-N 2.92Å; R548-C551 PolarHBondContact O-SG 3.07Å; R548-G564 PolarHBondContact NH1-O 2.78Å; R548-R566 CarbonylContact C-O 3.56Å; R548-R566 VanDerWaalsContact CA-O 3.29Å; R548-R566 WeakPolarHBondContact CA-O 3.48Å; R548-I573 HydrophobicContact CG-CD1 3.76Å; R548-I573 VanDerWaalsContact NH1-CG2 3.32Å; R548-T575 PolarHBondContact NH1-O 2.93Å; R548-T575 PolarHBondContact NH2-OG1 2.86Å; R548-L577 VanDerWaalsContact CZ-CD1 3.45Å
549	A	90.8	Very high	91.8	Very high	28 Å²	28	38.3 Å²	38.3	23%	0.231	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-62.2	137.2	-179.5	0	0	0	0	0	111.1	G523 C551 G565 R566	G523-A549 PolarHBondContact O-N 2.77Å; A549-C551 PolarHBondContact O-N 2.78Å; A549-G565 CarbonylContact O-C 3.54Å; A549-G565 VanDerWaalsContact O-CA 3.23Å; A549-G565 WeakPolarHBondContact O-CA 3.49Å; A549-R566 PolarHBondContact N-O 2.87Å; A549-R566 PolarHBondContact O-N 3.1Å
550	S	90.9	Very high	91.6	Very high	14 Å²	14	36.2 Å²	36.2	10%	0.098	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	32.2	179.6	-56	0	0	0	0	114.3	C508 R548 H598	C508-S550 PolarHBondContact O-N 3.07Å; R548-S550 PolarHBondContact O-N 2.89Å; S550-H598 PolarHBondContact O-N 3.02Å; S550-H598 VanDerWaalsContact O-N 3.13Å; S550-H598 PolarHBondContact OG-CD2 3.07Å; S550-H598 VanDerWaalsContact OG-CD2 3.27Å; S550-H598 PolarHBondContact OG-CE1 2.98Å; S550-H598 PolarHBondContact OG-NE2 3.08Å
551	C	93.9	Very high	91.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.173	C	C	.	.			trans	-76	157.2	170.7	68.5	0	0	0	0	111.8	N510 R548 A549 I562 T563 G564	N510-C551 PolarHBondContact ND2-O 3.11Å; R548-C551 HydrophobicContact CB-CB 4.02Å; R548-C551 WeakPolarHBondContact O-CB 3.43Å; R548-C551 PolarHBondContact O-N 2.92Å; R548-C551 PolarHBondContact O-SG 3.07Å; A549-C551 PolarHBondContact O-N 2.78Å; C551-I562 HydrophobicContact CB-CG2 4.22Å; C551-T563 CarbonylContact C-O 3.52Å; C551-T563 WeakPolarHBondContact CA-O 3.37Å; C551-T563 WeakPolarHBondContact CB-O 3.47Å; C551-G564 WeakPolarHBondContact CB-O 3.48Å
552	G	92.9	Very high	91.4	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	151.7	167.8	0	0	0	0	0	111.6	I562 T563 H599	G552-I562 CarbonylContact O-C 3.58Å; G552-I562 WeakPolarHBondContact O-CA 3.37Å; G552-T563 PolarHBondContact N-O 3.44Å; G552-T563 PolarHBondContact O-N 3.32Å; G552-H599 PolarHBondContact N-NE2 3.05Å
553	I	94.3	Very high	91.3	Very high	14 Å²	14	29.2 Å²	29.2	7%	0.072	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.9	166.1	-171.4	174.4	0	0	0	108.9	N510 V512 V521 L528 Y561 I562	N510-I553 HydrophobicContact CB-CG2 3.72Å; V512-I553 HydrophobicContact CB-CG2 4.27Å; V512-I553 HydrophobicContact CG1-CD1 3.71Å; V512-I553 HydrophobicContact CG1-CG1 3.83Å; V512-I553 HydrophobicContact CG1-CG2 4.27Å; V521-I553 HydrophobicContact CG1-CB 3.84Å; V521-I553 HydrophobicContact CG1-CD1 3.71Å; V521-I553 HydrophobicContact CG1-CG1 4.24Å; V521-I553 HydrophobicContact CG1-CG2 4.16Å; L528-I553 HydrophobicContact CD1-CD1 4.18Å; I553-Y561 VanDerWaalsContact CA-O 3.28Å; I553-Y561 WeakPolarHBondContact CA-O 3.46Å; I553-I562 HydrophobicContact CD1-CG1 4.32Å; I553-I562 HydrophobicContact CG1-CG1 4.23Å
554	A	91.8	Very high	91.2	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.025	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	146.5	179.2	0	0	0	0	0	111	Y561	A554-Y561 PolarHBondContact N-O 2.93Å; A554-Y561 PolarHBondContact O-N 3.42Å
555	P	90.5	Very high	91.2	Very high	24 Å²	24	22 Å²	22	16%	0.156	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.4	172.9	33.3	-21.4	0	0	0	109.3	I305 V512 F514 R559 L560 T603	I305-P555 HydrophobicContact CD1-CB 3.73Å; I305-P555 HydrophobicContact CD1-CG 3.68Å; V512-P555 HydrophobicContact CG2-CB 4.4Å; V512-P555 VanDerWaalsContact CG2-CD 3.44Å; V512-P555 HydrophobicContact CG2-CG 3.66Å; F514-P555 HydrophobicContact CD2-CB 3.7Å; F514-P555 HydrophobicContact CE2-CB 4.34Å; P555-R559 CarbonylContact C-O 3.54Å; P555-R559 WeakPolarHBondContact CA-O 3.4Å; P555-L560 HydrophobicContact CB-CD2 4.08Å; P555-T603 VanDerWaalsContact O-CB 3.32Å; P555-T603 WeakPolarHBondContact O-CB 3.21Å; P555-T603 VanDerWaalsContact O-CG2 3.32Å; P555-T603 WeakPolarHBondContact O-CG2 3.25Å; P555-T603 PolarHBondContact O-OG1 2.79Å
556	C	88.8	Confident	91.4	Very high	1 Å²	1	18 Å²	18	1%	0.007	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	137.3	178.2	-179.5	0	0	0	0	108.6	N558 R559 Y561 T603	C556-N558 VanDerWaalsContact C-N 3.26Å; C556-N558 PolarHBondContact O-N 3.03Å; C556-R559 PolarHBondContact N-O 2.96Å; C556-R559 PolarHBondContact O-N 2.72Å; C556-R559 VanDerWaalsContact O-O 3.11Å; C556-Y561 HydrophobicContact CB-CD2 3.79Å; C556-Y561 HydrophobicContact CB-CE2 3.86Å; C556-Y561 VanDerWaalsContact O-CE2 3.31Å; C556-Y561 WeakPolarHBondContact O-CE2 3.43Å; C556-T603 HydrophobicContact CB-CG2 4.18Å
557	N	84.5	Confident	91.6	Very high	7 Å²	7	14.8 Å²	14.8	4%	0.037	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	46.5	-179.9	-67.1	-41.9	0	0	0	113.1	K310 E319 R559	K310-N557 HydrophobicContact CD-CB 4.3Å; K310-N557 HydrophobicContact CG-CB 4.16Å; E319-N557 PolarHBondContact OE2-N 2.74Å; N557-R559 PolarHBondContact O-N 2.86Å
558	N	86.6	Confident	91.5	Very high	6 Å²	6	17 Å²	17	3%	0.032	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	30.8	-175.4	-158.9	24.6	0	0	0	115.4	E307 F514 R515 C556	E307-N558 WeakPolarHBondContact OE1-CB 2.85Å; E307-N558 PolarHBondContact OE1-ND2 2.76Å; F514-N558 WeakPolarHBondContact CZ-O 3.33Å; F514-N558 WeakPolarHBondContact CZ-OD1 3.12Å; R515-N558 PolarHBondContact NE-OD1 3.07Å; R515-N558 PolarHBondContact NH2-ND2 3.47Å; R515-N558 PolarHBondContact NH2-OD1 2.96Å; C556-N558 VanDerWaalsContact C-N 3.26Å; C556-N558 PolarHBondContact O-N 3.03Å
559	R	90.8	Very high	91.3	Very high	82 Å²	82	24.2 Å²	24.2	31%	0.309	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	165.4	172.1	-62.8	-176.3	-179	-165.7	-7.1	110.7	P555 C556 N557 Y561 C578 D580	P555-R559 CarbonylContact C-O 3.54Å; P555-R559 WeakPolarHBondContact CA-O 3.4Å; C556-R559 PolarHBondContact N-O 2.96Å; C556-R559 PolarHBondContact O-N 2.72Å; C556-R559 VanDerWaalsContact O-O 3.11Å; N557-R559 PolarHBondContact O-N 2.86Å; R559-Y561 HydrophobicContact CB-CE2 3.87Å; R559-C578 VanDerWaalsContact CD-SG 3.57Å; R559-D580 IonicContact CZ-OD2 2.67Å; R559-D580 VanDerWaalsContact CZ-OD2 3.24Å; R559-D580 IonicContact NE-OD2 2.83Å; R559-D580 IonicContact NH1-OD2 2.67Å; R559-D580 IonicContact NH2-OD2 3.76Å; R559-D580 PolarHBondContact NH2-OD2 3.43Å
560	L	93	Very high	91.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.2	177.4	-72.1	177.8	0	0	0	110.6	V512 F514 Y519 P555 C578 W579	V512-L560 HydrophobicContact CG1-CD2 3.63Å; F514-L560 HydrophobicContact CB-CD1 4.37Å; F514-L560 HydrophobicContact CB-CD2 3.67Å; F514-L560 HydrophobicContact CB-CG 4.28Å; F514-L560 HydrophobicContact CD1-CD1 3.88Å; F514-L560 HydrophobicContact CD1-CD2 4.06Å; F514-L560 HydrophobicContact CD1-CG 3.77Å; F514-L560 HydrophobicContact CD2-CD2 3.91Å; F514-L560 HydrophobicContact CD2-CG 4.31Å; F514-L560 HydrophobicContact CE1-CG 4.17Å; F514-L560 HydrophobicContact CG-CD1 4.23Å; F514-L560 HydrophobicContact CG-CD2 3.6Å; F514-L560 HydrophobicContact CG-CG 3.85Å; Y519-L560 HydrophobicContact CD1-CD1 3.54Å; Y519-L560 HydrophobicContact CD2-CD1 3.71Å; Y519-L560 HydrophobicContact CE1-CD1 3.87Å; Y519-L560 HydrophobicContact CE2-CD1 4.04Å; Y519-L560 HydrophobicContact CG-CD1 3.44Å; Y519-L560 VanDerWaalsContact CG-CD1 3.44Å; P555-L560 HydrophobicContact CB-CD2 4.08Å; L560-C578 CarbonylContact O-C 3.54Å; L560-C578 WeakPolarHBondContact O-CA 3.42Å; L560-W579 HydrophobicContact CB-CB 4.13Å; L560-W579 PolarHBondContact N-O 3.42Å; L560-W579 PolarHBondContact O-N 2.97Å
561	Y	92.9	Very high	91.1	Very high	10 Å²	10	29.7 Å²	29.7	4%	0.039	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.4	177.9	-67.3	-95.8	0	0	0	110.6	F321 P342 I553 A554 C556 R559 V576 L577 C578 E589	F321-Y561 HydrophobicContact CE1-CD1 4.25Å; F321-Y561 HydrophobicContact CE1-CE1 4.48Å; P342-Y561 HydrophobicContact CB-CE1 3.76Å; P342-Y561 VanDerWaalsContact CB-OH 3.26Å; P342-Y561 WeakPolarHBondContact CB-OH 3.46Å; P342-Y561 HydrophobicContact CG-CE1 4.26Å; P342-Y561 HydrophobicContact CG-CE2 4.22Å; I553-Y561 VanDerWaalsContact CA-O 3.28Å; I553-Y561 WeakPolarHBondContact CA-O 3.46Å; A554-Y561 PolarHBondContact N-O 2.93Å; A554-Y561 PolarHBondContact O-N 3.42Å; C556-Y561 HydrophobicContact CB-CD2 3.79Å; C556-Y561 HydrophobicContact CB-CE2 3.86Å; C556-Y561 VanDerWaalsContact O-CE2 3.31Å; C556-Y561 WeakPolarHBondContact O-CE2 3.43Å; R559-Y561 HydrophobicContact CB-CE2 3.87Å; Y561-V576 HydrophobicContact CD1-CG1 3.94Å; Y561-L577 CarbonylContact C-O 3.51Å; Y561-L577 VanDerWaalsContact CA-O 3.32Å; Y561-L577 WeakPolarHBondContact CA-O 3.4Å; Y561-C578 HydrophobicContact CD1-CB 4.12Å; Y561-C578 HydrophobicContact CE1-CB 3.89Å; Y561-E589 HydrophobicContact CE1-CG 4.18Å
562	I	94.4	Very high	91	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.5	174.7	-55.3	163.1	0	0	0	107.6	V521 C551 G552 I553 V576 L577	V521-I562 HydrophobicContact CG1-CG1 4.33Å; V521-I562 HydrophobicContact CG1-CG2 4.4Å; V521-I562 HydrophobicContact CG2-CD1 4.11Å; C551-I562 HydrophobicContact CB-CG2 4.22Å; G552-I562 CarbonylContact O-C 3.58Å; G552-I562 WeakPolarHBondContact O-CA 3.37Å; I553-I562 HydrophobicContact CD1-CG1 4.32Å; I553-I562 HydrophobicContact CG1-CG1 4.23Å; I562-V576 WeakPolarHBondContact O-CA 3.43Å; I562-L577 HydrophobicContact CB-CB 4.26Å; I562-L577 PolarHBondContact N-O 3.26Å; I562-L577 PolarHBondContact O-N 2.89Å
563	T	92.9	Very high	90.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.6	-171.7	57.3	0	0	0	0	111.4	F321 I323 C551 G552 V576 H599 S601	F321-T563 HydrophobicContact CD2-CG2 3.95Å; F321-T563 HydrophobicContact CE2-CG2 3.81Å; I323-T563 HydrophobicContact CD1-CG2 4.25Å; C551-T563 CarbonylContact C-O 3.52Å; C551-T563 WeakPolarHBondContact CA-O 3.37Å; C551-T563 WeakPolarHBondContact CB-O 3.47Å; G552-T563 PolarHBondContact N-O 3.44Å; G552-T563 PolarHBondContact O-N 3.32Å; T563-V576 HydrophobicContact CG2-CG1 3.9Å; T563-V576 HydrophobicContact CG2-CG2 4.11Å; T563-H599 PolarHBondContact O-CE1 2.78Å; T563-H599 PolarHBondContact O-NE2 3.01Å; T563-H599 PolarHBondContact OG1-NE2 2.65Å; T563-S601 PolarHBondContact OG1-OG 2.68Å
564	G	92.2	Very high	90.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.			trans	55.8	-143	171.7	0	0	0	0	0	115.1	R548 C551 I573 V596	R548-G564 PolarHBondContact NH1-O 2.78Å; C551-G564 WeakPolarHBondContact CB-O 3.48Å; G564-I573 VanDerWaalsContact CA-O 3.24Å; G564-I573 WeakPolarHBondContact CA-O 3.45Å; G564-V596 WeakPolarHBondContact CA-O 3.04Å
565	G	93	Very high	90.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.			trans	101.3	-172.2	-175.5	0	0	0	0	0	112.9	A549 I573 V596	A549-G565 CarbonylContact O-C 3.54Å; A549-G565 VanDerWaalsContact O-CA 3.23Å; A549-G565 WeakPolarHBondContact O-CA 3.49Å; G565-I573 PolarHBondContact O-N 2.76Å; G565-V596 PolarHBondContact N-O 3.23Å
566	R	92.1	Very high	90.7	Very high	13 Å²	13	32.9 Å²	32.9	5%	0.049	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-120.7	144.3	173	-60.5	-168.6	179	-114.8	1.8	111.9	T328 K329 E547 R548 A549 N570 E571 V572 S597	T328-R566 PolarHBondContact O-NH2 3.01Å; K329-R566 PolarHBondContact O-NH1 2.61Å; E547-R566 CarbonylContact C-O 3.58Å; R548-R566 CarbonylContact C-O 3.56Å; R548-R566 VanDerWaalsContact CA-O 3.29Å; R548-R566 WeakPolarHBondContact CA-O 3.48Å; A549-R566 PolarHBondContact N-O 2.87Å; A549-R566 PolarHBondContact O-N 3.1Å; R566-N570 WeakPolarHBondContact CD-OD1 3.37Å; R566-N570 PolarHBondContact NH1-O 2.89Å; R566-E571 CarbonylContact C-O 3.48Å; R566-E571 WeakPolarHBondContact CA-O 3.42Å; R566-V572 HydrophobicContact CG-CG1 4.37Å; R566-S597 PolarHBondContact NE-OG 3.38Å; R566-S597 PolarHBondContact NH2-OG 3.4Å
567	D	91.8	Very high	90.9	Very high	38 Å²	38	33.8 Å²	33.8	20%	0.203	17%	0.165	C	C	.	.			trans	-83.9	-177.6	174.2	76.9	0.7	0	0	0	112.7	E547 K569 N570 E571 I573	E547-D567 WeakPolarHBondContact O-CA 3.43Å; D567-K569 PolarHBondContact O-N 2.81Å; D567-K569 VanDerWaalsContact OD1-CA 3.31Å; D567-K569 WeakPolarHBondContact OD1-CA 3.23Å; D567-K569 WeakPolarHBondContact OD1-CB 3.34Å; D567-K569 PolarHBondContact OD1-N 2.77Å; D567-N570 WeakPolarHBondContact O-CA 3.4Å; D567-N570 PolarHBondContact O-N 2.81Å; D567-N570 PolarHBondContact OD1-N 2.99Å; D567-N570 VanDerWaalsContact OD1-N 3.09Å; D567-E571 PolarHBondContact N-O 2.73Å; D567-E571 WeakPolarHBondContact OD1-CB 3.2Å; D567-E571 PolarHBondContact OD1-N 3.43Å; D567-I573 HydrophobicContact CB-CD1 4.1Å; D567-I573 HydrophobicContact CB-CG1 4.35Å
568	E	90.1	Very high	91.4	Very high	95 Å²	95	33.5 Å²	33.5	44%	0.444	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.7	178.7	-50	-179.5	-156.9	0	0	112.8	R526 E547 N570	R526-E568 IonicContact CZ-OE1 2.68Å; R526-E568 IonicContact NE-OE1 3.07Å; R526-E568 IonicContact NH1-OE1 2.87Å; R526-E568 PolarHBondContact NH1-OE1 3.04Å; R526-E568 IonicContact NH1-OE2 3.52Å; R526-E568 IonicContact NH2-OE1 2.78Å; E547-E568 HydrophobicContact CB-CG 3.76Å; E547-E568 HydrophobicContact CG-CG 3.62Å; E568-N570 VanDerWaalsContact C-N 3.33Å
569	K	89.5	Confident	91.8	Very high	168 Å²	168	34 Å²	34	73%	0.73	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	5.8	178.2	-59.1	178.8	-176.4	175.2	0	112.1	D567 E571	D567-K569 PolarHBondContact O-N 2.81Å; D567-K569 VanDerWaalsContact OD1-CA 3.31Å; D567-K569 WeakPolarHBondContact OD1-CA 3.23Å; D567-K569 WeakPolarHBondContact OD1-CB 3.34Å; D567-K569 PolarHBondContact OD1-N 2.77Å; K569-E571 HydrophobicContact CB-CG 4.05Å; K569-E571 PolarHBondContact O-N 3.21Å
570	N	86.9	Confident	91.8	Very high	92 Å²	92	31 Å²	31	49%	0.492	16%	0.155	S	C	.	.	S	Bend	trans	65.4	18.4	-175.3	-161.5	43.1	0	0	0	113.9	R566 D567 E568	R566-N570 WeakPolarHBondContact CD-OD1 3.37Å; R566-N570 PolarHBondContact NH1-O 2.89Å; D567-N570 WeakPolarHBondContact O-CA 3.4Å; D567-N570 PolarHBondContact O-N 2.81Å; D567-N570 PolarHBondContact OD1-N 2.99Å; D567-N570 VanDerWaalsContact OD1-N 3.09Å; E568-N570 VanDerWaalsContact C-N 3.33Å
571	E	90.3	Very high	91.6	Very high	65 Å²	65	32 Å²	32	30%	0.304	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-79.8	141.7	175.4	-63.3	-66.5	149.5	0	0	110.4	K329 R566 D567 K569	K329-E571 WeakPolarHBondContact CD-OE2 3.49Å; K329-E571 WeakPolarHBondContact CE-OE1 3.33Å; K329-E571 WeakPolarHBondContact CE-OE2 3.39Å; K329-E571 IonicContact NZ-OE1 2.79Å; K329-E571 PolarHBondContact NZ-OE1 2.82Å; K329-E571 IonicContact NZ-OE2 3.66Å; K329-E571 PolarHBondContact NZ-OE2 2.95Å; R566-E571 CarbonylContact C-O 3.48Å; R566-E571 WeakPolarHBondContact CA-O 3.42Å; D567-E571 PolarHBondContact N-O 2.73Å; D567-E571 WeakPolarHBondContact OD1-CB 3.2Å; D567-E571 PolarHBondContact OD1-N 3.43Å; K569-E571 HydrophobicContact CB-CG 4.05Å; K569-E571 PolarHBondContact O-N 3.21Å
572	V	91.5	Very high	91.3	Very high	34 Å²	34	37.8 Å²	37.8	21%	0.206	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-76	137	177.2	-69.7	0	0	0	0	111.2	K329 R566 G595	K329-V572 HydrophobicContact CB-CG2 4.01Å; R566-V572 HydrophobicContact CG-CG1 4.37Å; V572-G595 WeakPolarHBondContact CG2-O 3.41Å
573	I	91.3	Very high	91.1	Very high	19 Å²	19	40.8 Å²	40.8	10%	0.097	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-98.2	134.6	-179.4	-57.1	168.5	0	0	0	108.7	R548 G564 G565 D567 T575 G595 V596	R548-I573 HydrophobicContact CG-CD1 3.76Å; R548-I573 VanDerWaalsContact NH1-CG2 3.32Å; G564-I573 VanDerWaalsContact CA-O 3.24Å; G564-I573 WeakPolarHBondContact CA-O 3.45Å; G565-I573 PolarHBondContact O-N 2.76Å; D567-I573 HydrophobicContact CB-CD1 4.1Å; D567-I573 HydrophobicContact CB-CG1 4.35Å; I573-T575 VanDerWaalsContact CG2-OG1 3.27Å; I573-T575 WeakPolarHBondContact CG2-OG1 3.26Å; I573-G595 VanDerWaalsContact O-CA 3.31Å; I573-G595 WeakPolarHBondContact O-CA 3.42Å; I573-V596 PolarHBondContact O-N 2.94Å
574	A	90.3	Very high	91.1	Very high	23 Å²	23	48 Å²	48	19%	0.19	25%	0.248	C	C	.	.			trans	-103.2	-13.4	174	0	0	0	0	0	112.6	V591 L592	A574-V591 HydrophobicContact CB-CG1 3.64Å; A574-L592 HydrophobicContact CB-CB 4.33Å; A574-L592 WeakPolarHBondContact O-CB 3.39Å; A574-L592 VanDerWaalsContact O-CG 3.24Å; A574-L592 WeakPolarHBondContact O-CG 3.35Å; A574-L592 PolarHBondContact O-N 3.4Å
575	T	90.5	Very high	91.1	Very high	36 Å²	36	54.2 Å²	54.2	22%	0.221	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	135.7	-174.8	59.4	0	0	0	0	111.7	R548 I573 E588	R548-T575 PolarHBondContact NH1-O 2.93Å; R548-T575 PolarHBondContact NH2-OG1 2.86Å; I573-T575 VanDerWaalsContact CG2-OG1 3.27Å; I573-T575 WeakPolarHBondContact CG2-OG1 3.26Å; T575-E588 WeakPolarHBondContact CB-OE1 3.37Å; T575-E588 WeakPolarHBondContact CG2-OE1 3.24Å
576	V	91.4	Very high	91.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.2	174.5	-177.7	0	0	0	0	108.6	F321 Y561 I562 T563 E589 C590 L592	F321-V576 HydrophobicContact CE2-CG1 4.32Å; F321-V576 HydrophobicContact CZ-CG1 4.19Å; Y561-V576 HydrophobicContact CD1-CG1 3.94Å; I562-V576 WeakPolarHBondContact O-CA 3.43Å; T563-V576 HydrophobicContact CG2-CG1 3.9Å; T563-V576 HydrophobicContact CG2-CG2 4.11Å; V576-E589 PolarHBondContact O-N 2.92Å; V576-C590 WeakPolarHBondContact CB-O 3.33Å; V576-C590 PolarHBondContact N-O 3.17Å; V576-L592 HydrophobicContact CG2-CD1 4.49Å; V576-L592 HydrophobicContact CG2-CD2 3.48Å; V576-L592 VanDerWaalsContact CG2-CD2 3.48Å; V576-L592 HydrophobicContact CG2-CG 3.75Å
577	L	93.5	Very high	91.2	Very high	20 Å²	20	57.7 Å²	57.7	11%	0.105	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	143.1	175.7	-55.8	173.5	0	0	0	109.7	L544 R548 Y561 I562 L586 T587 E588	L544-L577 HydrophobicContact CD2-CD1 4.09Å; R548-L577 VanDerWaalsContact CZ-CD1 3.45Å; Y561-L577 CarbonylContact C-O 3.51Å; Y561-L577 VanDerWaalsContact CA-O 3.32Å; Y561-L577 WeakPolarHBondContact CA-O 3.4Å; I562-L577 HydrophobicContact CB-CB 4.26Å; I562-L577 PolarHBondContact N-O 3.26Å; I562-L577 PolarHBondContact O-N 2.89Å; L577-L586 HydrophobicContact CB-CD1 4.01Å; L577-L586 HydrophobicContact CB-CG 4.42Å; L577-L586 HydrophobicContact CD1-CD2 4.2Å; L577-T587 CarbonylContact C-O 3.59Å; L577-T587 WeakPolarHBondContact CA-O 3.2Å; L577-E588 HydrophobicContact CD2-CB 4.44Å
578	C	93.8	Very high	91.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.9	174.2	-177	0	0	0	0	109.4	R559 L560 Y561 L586 T587 E589	R559-C578 VanDerWaalsContact CD-SG 3.57Å; L560-C578 CarbonylContact O-C 3.54Å; L560-C578 WeakPolarHBondContact O-CA 3.42Å; Y561-C578 HydrophobicContact CD1-CB 4.12Å; Y561-C578 HydrophobicContact CE1-CB 3.89Å; C578-L586 WeakPolarHBondContact O-CA 3.29Å; C578-T587 PolarHBondContact N-O 3.08Å; C578-T587 PolarHBondContact O-N 3Å; C578-T587 PolarHBondContact O-OG1 3.04Å; C578-E589 HydrophobicContact CB-CB 4.3Å; C578-E589 HydrophobicContact CB-CG 3.18Å
579	W	94.6	Very high	90.9	Very high	16 Å²	16	59.8 Å²	59.8	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113.9	170.1	171.4	-98.9	0	0	0	108.8	L528 V541 T542 L560 P581 Q584 L586	L528-W579 HydrophobicContact CD2-CB 4.34Å; L528-W579 HydrophobicContact CD2-CD2 4.38Å; L528-W579 HydrophobicContact CD2-CG 4.12Å; V541-W579 HydrophobicContact CG1-CD2 4.06Å; V541-W579 VanDerWaalsContact CG1-CE2 3.44Å; V541-W579 HydrophobicContact CG1-CE3 4.43Å; V541-W579 HydrophobicContact CG1-CH2 3.69Å; V541-W579 HydrophobicContact CG1-CZ2 3.25Å; V541-W579 HydrophobicContact CG1-CZ3 4.26Å; T542-W579 HydrophobicContact CG2-CE3 3.9Å; T542-W579 HydrophobicContact CG2-CZ3 3.87Å; L560-W579 HydrophobicContact CB-CB 4.13Å; L560-W579 PolarHBondContact N-O 3.42Å; L560-W579 PolarHBondContact O-N 2.97Å; W579-P581 WeakPolarHBondContact O-CD 3.22Å; W579-Q584 HydrophobicContact CH2-CB 4.07Å; W579-Q584 WeakPolarHBondContact CH2-O 3.18Å; W579-Q584 HydrophobicContact CZ2-CB 4.3Å; W579-L586 HydrophobicContact CB-CD1 4.05Å; W579-L586 HydrophobicContact CE3-CB 4.08Å; W579-L586 HydrophobicContact CE3-CD1 4.38Å; W579-L586 HydrophobicContact CZ3-CB 4.48Å
580	D	91.6	Very high	90.5	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.112	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111.1	171.3	-172	-28	0	0	0	109	R559 E582 A583 Q584 K585	R559-D580 IonicContact CZ-OD2 2.67Å; R559-D580 VanDerWaalsContact CZ-OD2 3.24Å; R559-D580 IonicContact NE-OD2 2.83Å; R559-D580 IonicContact NH1-OD2 2.67Å; R559-D580 IonicContact NH2-OD2 3.76Å; R559-D580 PolarHBondContact NH2-OD2 3.43Å; D580-E582 VanDerWaalsContact C-N 3.26Å; D580-E582 PolarHBondContact O-N 3.04Å; D580-E582 WeakPolarHBondContact OD1-CB 3.25Å; D580-E582 PolarHBondContact OD1-N 2.92Å; D580-A583 HydrophobicContact CB-CB 4.1Å; D580-A583 PolarHBondContact OD1-N 3.32Å; D580-Q584 VanDerWaalsContact O-CA 3.28Å; D580-Q584 WeakPolarHBondContact O-CA 3.46Å; D580-Q584 PolarHBondContact O-N 3.47Å; D580-K585 PolarHBondContact N-O 2.73Å; D580-K585 PolarHBondContact O-N 3.4Å
581	P	88.2	Confident	90.5	Very high	21 Å²	21	53.8 Å²	53.8	14%	0.136	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.9	-179.3	30.9	-37.3	0	0	0	113.4	F514 R515 W579	F514-P581 HydrophobicContact CE1-CB 4.28Å; F514-P581 HydrophobicContact CE1-CG 3.96Å; F514-P581 HydrophobicContact CZ-CG 4.15Å; R515-P581 VanDerWaalsContact CZ-CG 3.48Å; W579-P581 WeakPolarHBondContact O-CD 3.22Å
582	E	88.4	Confident	90.2	Very high	132 Å²	132	51 Å²	51	62%	0.617	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-46.3	-179.4	-59.5	-172.2	170	0	0	110.9	R515 D580 Q584	R515-E582 IonicContact NH2-OE1 3.89Å; D580-E582 VanDerWaalsContact C-N 3.26Å; D580-E582 PolarHBondContact O-N 3.04Å; D580-E582 WeakPolarHBondContact OD1-CB 3.25Å; D580-E582 PolarHBondContact OD1-N 2.92Å; E582-Q584 PolarHBondContact O-N 2.95Å
583	A	90.1	Very high	89.5	Confident	64 Å²	64	53.3 Å²	53.3	53%	0.529	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.5	174.8	0	0	0	0	0	113.1	D580 K585	D580-A583 HydrophobicContact CB-CB 4.1Å; D580-A583 PolarHBondContact OD1-N 3.32Å; A583-K585 HydrophobicContact CB-CB 4.16Å; A583-K585 PolarHBondContact O-N 3.25Å
584	Q	91.1	Very high	89.1	Confident	152 Å²	152	57.6 Å²	57.6	71%	0.71	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	42.1	-171.3	-62.5	-171.7	-17.1	0	0	112.4	W579 D580 E582	W579-Q584 HydrophobicContact CH2-CB 4.07Å; W579-Q584 WeakPolarHBondContact CH2-O 3.18Å; W579-Q584 HydrophobicContact CZ2-CB 4.3Å; D580-Q584 VanDerWaalsContact O-CA 3.28Å; D580-Q584 WeakPolarHBondContact O-CA 3.46Å; D580-Q584 PolarHBondContact O-N 3.47Å; E582-Q584 PolarHBondContact O-N 2.95Å
585	K	93.3	Very high	88.9	Confident	130 Å²	130	57 Å²	57	57%	0.565	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.7	-172.2	-168.9	177.6	179.2	-178	0	110.7	D580 A583 T587	D580-K585 PolarHBondContact N-O 2.73Å; D580-K585 PolarHBondContact O-N 3.4Å; A583-K585 HydrophobicContact CB-CB 4.16Å; A583-K585 PolarHBondContact O-N 3.25Å; K585-T587 HydrophobicContact CD-CG2 4.13Å; K585-T587 HydrophobicContact CG-CG2 4.16Å
586	L	93.6	Very high	88.9	Confident	43 Å²	43	55.6 Å²	55.6	23%	0.225	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.7	169.3	-168	70.9	0	0	0	109	T542 L544 L577 C578 W579	T542-L586 HydrophobicContact CG2-CB 4.48Å; T542-L586 HydrophobicContact CG2-CD2 4.2Å; L544-L586 HydrophobicContact CD2-CD2 3.47Å; L544-L586 VanDerWaalsContact CD2-CD2 3.47Å; L577-L586 HydrophobicContact CB-CD1 4.01Å; L577-L586 HydrophobicContact CB-CG 4.42Å; L577-L586 HydrophobicContact CD1-CD2 4.2Å; C578-L586 WeakPolarHBondContact O-CA 3.29Å; W579-L586 HydrophobicContact CB-CD1 4.05Å; W579-L586 HydrophobicContact CE3-CB 4.08Å; W579-L586 HydrophobicContact CE3-CD1 4.38Å; W579-L586 HydrophobicContact CZ3-CB 4.48Å
587	T	92.9	Very high	88.9	Confident	42 Å²	42	55.6 Å²	55.6	26%	0.258	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	155.6	177.2	52.8	0	0	0	0	110.7	L577 C578 K585 E589	L577-T587 CarbonylContact C-O 3.59Å; L577-T587 WeakPolarHBondContact CA-O 3.2Å; C578-T587 PolarHBondContact N-O 3.08Å; C578-T587 PolarHBondContact O-N 3Å; C578-T587 PolarHBondContact O-OG1 3.04Å; K585-T587 HydrophobicContact CD-CG2 4.13Å; K585-T587 HydrophobicContact CG-CG2 4.16Å; T587-E589 PolarHBondContact OG1-OE1 3.18Å
588	E	90.6	Very high	88.7	Confident	115 Å²	115	57.2 Å²	57.2	54%	0.537	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.4	165.5	-174.3	176.1	167.1	0	0	108.1	T575 L577	T575-E588 WeakPolarHBondContact CB-OE1 3.37Å; T575-E588 WeakPolarHBondContact CG2-OE1 3.24Å; L577-E588 HydrophobicContact CD2-CB 4.44Å
589	E	84.8	Confident	88.7	Confident	63 Å²	63	57.9 Å²	57.9	29%	0.294	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-45.6	-175.6	-74.1	-63.9	153.2	0	0	112.4	Y561 V576 C578 T587	Y561-E589 HydrophobicContact CE1-CG 4.18Å; V576-E589 PolarHBondContact O-N 2.92Å; C578-E589 HydrophobicContact CB-CB 4.3Å; C578-E589 HydrophobicContact CB-CG 3.18Å; T587-E589 PolarHBondContact OG1-OE1 3.18Å
590	C	82.8	Confident	88.5	Confident	44 Å²	44	57.3 Å²	57.3	30%	0.297	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	170.3	-177.6	68.1	0	0	0	0	112.5	V576	V576-C590 WeakPolarHBondContact CB-O 3.33Å; V576-C590 PolarHBondContact N-O 3.17Å
591	V	85.8	Confident	88.5	Confident	89 Å²	89	57.1 Å²	57.1	54%	0.539	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.9	177.8	-171.9	0	0	0	0	108.8	A574	A574-V591 HydrophobicContact CB-CG1 3.64Å
592	L	83.1	Confident	88.7	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.042	30%	0.297	C	S	.	.			trans	-64	147.6	173	-58.9	-176.2	0	0	0	109.9	I323 L340 A574 V576 R594 V596	I323-L592 HydrophobicContact CD1-CD1 3.79Å; I323-L592 HydrophobicContact CD1-CD2 3.15Å; I323-L592 HydrophobicContact CD1-CG 4.1Å; L340-L592 HydrophobicContact CD1-CD2 3.3Å; A574-L592 HydrophobicContact CB-CB 4.33Å; A574-L592 WeakPolarHBondContact O-CB 3.39Å; A574-L592 VanDerWaalsContact O-CG 3.24Å; A574-L592 WeakPolarHBondContact O-CG 3.35Å; A574-L592 PolarHBondContact O-N 3.4Å; V576-L592 HydrophobicContact CG2-CD1 4.49Å; V576-L592 HydrophobicContact CG2-CD2 3.48Å; V576-L592 VanDerWaalsContact CG2-CD2 3.48Å; V576-L592 HydrophobicContact CG2-CG 3.75Å; L592-R594 WeakPolarHBondContact CB-O 3.48Å; L592-R594 PolarHBondContact O-N 2.94Å; L592-V596 HydrophobicContact CD1-CG2 3.76Å
593	P	77.3	Confident	88.8	Confident	82 Å²	82	50.9 Å²	50.9	53%	0.532	27%	0.271	S	S	.	.	S	Bend	trans	-55.1	-28.2	177	-21.8	30.8	0	0	0	112.9
594	R	83.7	Confident	88.8	Confident	109 Å²	109	47.8 Å²	47.8	41%	0.411	25%	0.246	S	C	.	.	S	Bend	trans	-146.6	143.7	178.3	-177.1	169.7	61	-164.5	-15.2	109.3	T328 V334 E336 L592 V596	T328-R594 HydrophobicContact CG2-CG 4.35Å; V334-R594 VanDerWaalsContact CG2-CZ 3.43Å; E336-R594 IonicContact OE2-CZ 3.64Å; E336-R594 IonicContact OE2-NH2 3.14Å; E336-R594 PolarHBondContact OE2-NH2 3.13Å; L592-R594 WeakPolarHBondContact CB-O 3.48Å; L592-R594 PolarHBondContact O-N 2.94Å; R594-V596 PolarHBondContact O-N 3.35Å
595	G	85.6	Confident	88.5	Confident	9 Å²	9	41.9 Å²	41.9	9%	0.093	22%	0.217	C	C	.	.			trans	-66	129.7	169.8	0	0	0	0	0	110.8	V572 I573	V572-G595 WeakPolarHBondContact CG2-O 3.41Å; I573-G595 VanDerWaalsContact O-CA 3.31Å; I573-G595 WeakPolarHBondContact O-CA 3.42Å
596	V	90.1	Very high	88	Confident	8 Å²	8	36.3 Å²	36.3	5%	0.048	19%	0.193	C	C	.	.			trans	-135.4	149	-176	-69.2	0	0	0	0	111.2	I323 V334 G564 G565 I573 L592 R594 H599	I323-V596 HydrophobicContact CG2-CG2 4.23Å; V334-V596 HydrophobicContact CG2-CG1 4.31Å; G564-V596 WeakPolarHBondContact CA-O 3.04Å; G565-V596 PolarHBondContact N-O 3.23Å; I573-V596 PolarHBondContact O-N 2.94Å; L592-V596 HydrophobicContact CD1-CG2 3.76Å; R594-V596 PolarHBondContact O-N 3.35Å; V596-H599 HydrophobicContact CB-CB 4.49Å; V596-H599 HydrophobicContact CG2-CB 4.28Å
597	S	91.6	Very high	87.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-136.3	158	174.1	65.4	0	0	0	0	110.3	G326 C327 R566 H599	G326-S597 CarbonylContact C-O 3.59Å; G326-S597 WeakPolarHBondContact CA-O 3.19Å; C327-S597 PolarHBondContact N-O 2.92Å; C327-S597 PolarHBondContact O-N 3.48Å; C327-S597 PolarHBondContact O-OG 2.95Å; R566-S597 PolarHBondContact NE-OG 3.38Å; R566-S597 PolarHBondContact NH2-OG 3.4Å; S597-H599 PolarHBondContact O-N 3.01Å; S597-H599 VanDerWaalsContact O-N 3.08Å
598	H	90.1	Very high	85.7	Confident	53 Å²	53	36 Å²	36	25%	0.245	19%	0.191	C	C	.	.	S	Bend	trans	57	20.6	-176.9	-53	85.8	0	0	0	113.3	S550	S550-H598 PolarHBondContact O-N 3.02Å; S550-H598 VanDerWaalsContact O-N 3.13Å; S550-H598 PolarHBondContact OG-CD2 3.07Å; S550-H598 VanDerWaalsContact OG-CD2 3.27Å; S550-H598 PolarHBondContact OG-CE1 2.98Å; S550-H598 PolarHBondContact OG-NE2 3.08Å
599	H	92.6	Very high	83.8	Confident	14 Å²	14	34.6 Å²	34.6	7%	0.065	19%	0.19	C	C	.	.			trans	-76.7	152.1	173.8	59.7	-75.4	0	0	0	110.2	I323 I324 G325 G552 T563 V596 S597	I323-H599 HydrophobicContact CG2-CB 4.24Å; I324-H599 WeakPolarHBondContact O-CA 3.32Å; G325-H599 VanDerWaalsContact O-CB 3.26Å; G325-H599 WeakPolarHBondContact O-CB 3.42Å; G552-H599 PolarHBondContact N-NE2 3.05Å; T563-H599 PolarHBondContact O-CE1 2.78Å; T563-H599 PolarHBondContact O-NE2 3.01Å; T563-H599 PolarHBondContact OG1-NE2 2.65Å; V596-H599 HydrophobicContact CB-CB 4.49Å; V596-H599 HydrophobicContact CG2-CB 4.28Å; S597-H599 PolarHBondContact O-N 3.01Å; S597-H599 VanDerWaalsContact O-N 3.08Å
600	G	91.3	Very high	81.8	Confident	5 Å²	5	39.1 Å²	39.1	5%	0.052	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	141	163.9	0	0	0	0	0	110.2	I323 I324 C372	I323-G600 WeakPolarHBondContact CA-O 3.36Å; I324-G600 PolarHBondContact N-O 3.25Å; I324-G600 PolarHBondContact O-N 2.94Å; C372-G600 WeakPolarHBondContact SG-CA 3.26Å
601	S	91.4	Very high	80	Confident	17 Å²	17	42 Å²	42	12%	0.119	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	117.4	173.6	-171.7	0	0	0	0	108.7	M322 T563	M322-S601 WeakPolarHBondContact O-CA 3.47Å; T563-S601 PolarHBondContact OG1-OG 2.68Å
602	V	92.6	Very high	77.7	Confident	10 Å²	10	48.7 Å²	48.7	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157.8	-178.6	-61.5	0	0	0	0	110.5	F321 M322 I324 C372 T374 V379	F321-V602 CarbonylContact C-O 3.53Å; F321-V602 WeakPolarHBondContact CA-O 3.42Å; M322-V602 HydrophobicContact CB-CG2 3.97Å; M322-V602 PolarHBondContact N-O 3.36Å; M322-V602 PolarHBondContact O-N 2.86Å; M322-V602 VanDerWaalsContact O-N 3.09Å; M322-V602 HydrophobicContact SD-CG2 4.49Å; I324-V602 HydrophobicContact CD1-CG2 3.89Å; C372-V602 HydrophobicContact CB-CG1 4.07Å; C372-V602 VanDerWaalsContact SG-CG1 3.53Å; T374-V602 WeakPolarHBondContact OG1-CB 3.4Å; V379-V602 HydrophobicContact CB-CG2 4.49Å; V379-V602 HydrophobicContact CG1-CG2 3.9Å; V379-V602 HydrophobicContact CG2-CG2 3.76Å
603	T	91.3	Very high	75.6	Confident	11 Å²	11	59 Å²	59	7%	0.067	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.3	175.9	-56	0	0	0	0	110.1	E319 V320 T374 P555 C556	E319-T603 VanDerWaalsContact CD-CG2 3.48Å; E319-T603 HydrophobicContact CG-CG2 3.26Å; E319-T603 VanDerWaalsContact OE1-CG2 3.26Å; E319-T603 WeakPolarHBondContact OE1-CG2 3.18Å; V320-T603 WeakPolarHBondContact O-CA 3.39Å; T374-T603 WeakPolarHBondContact CG2-O 3.47Å; T374-T603 PolarHBondContact OG1-O 2.86Å; P555-T603 VanDerWaalsContact O-CB 3.32Å; P555-T603 WeakPolarHBondContact O-CB 3.21Å; P555-T603 VanDerWaalsContact O-CG2 3.32Å; P555-T603 WeakPolarHBondContact O-CG2 3.25Å; P555-T603 PolarHBondContact O-OG1 2.79Å; C556-T603 HydrophobicContact CB-CG2 4.18Å
604	I	88.9	Confident	73.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.2	174.7	61.6	168.8	0	0	0	110.2	V320 M322 T374 N377 V379	V320-I604 HydrophobicContact CG2-CD1 4.28Å; V320-I604 HydrophobicContact CG2-CG1 3.6Å; V320-I604 WeakPolarHBondContact CG2-O 3.41Å; V320-I604 PolarHBondContact N-O 3.3Å; V320-I604 PolarHBondContact O-N 3.25Å; V320-I604 VanDerWaalsContact O-O 3.09Å; M322-I604 HydrophobicContact SD-CD1 3.68Å; M322-I604 HydrophobicContact SD-CG1 4.43Å; T374-I604 HydrophobicContact CG2-CG2 3.94Å; N377-I604 WeakPolarHBondContact OD1-CB 3.26Å; V379-I604 HydrophobicContact CG2-CG2 3.47Å; V379-I604 VanDerWaalsContact CG2-CG2 3.47Å
605	R	85.9	Confident	71.6	Confident	28 Å²	28	58.1 Å²	58.1	11%	0.106	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.6	164.8	-67.7	-177.6	179.9	177.1	-2.5	110.2	L265 Y297 T309 S318 N377	L265-R605 VanDerWaalsContact CD2-CZ 3.42Å; Y297-R605 PolarHBondContact OH-NE 3.19Å; Y297-R605 PolarHBondContact OH-NH1 2.62Å; Y297-R605 PolarHBondContact OH-NH2 3.35Å; T309-R605 PolarHBondContact O-NH2 2.7Å; S318-R605 CarbonylContact O-C 3.59Å; S318-R605 VanDerWaalsContact O-CA 3.24Å; S318-R605 WeakPolarHBondContact O-CA 3.48Å; N377-R605 PolarHBondContact ND2-O 3.34Å; N377-R605 PolarHBondContact OD1-N 3.21Å; N377-R605 PolarHBondContact OD1-O 2.93Å
606	K	81.7	Confident	69	Low	13 Å²	13	63.7 Å²	63.7	6%	0.057	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.2	-178.7	-156.9	167.4	-174.1	81.9	0	111.3	S318 V320 L348 V350 Y394 S396	S318-K606 PolarHBondContact N-O 3.21Å; S318-K606 PolarHBondContact O-N 3.49Å; V320-K606 HydrophobicContact CG1-CB 4.42Å; V320-K606 HydrophobicContact CG2-CB 3.92Å; L348-K606 HydrophobicContact CD2-CD 3.87Å; L348-K606 VanDerWaalsContact CD2-CE 3.47Å; V350-K606 HydrophobicContact CG1-CD 4.33Å; V350-K606 VanDerWaalsContact CG1-CE 3.42Å; Y394-K606 PolarHBondContact OH-NZ 3.29Å; S396-K606 PolarHBondContact OG-NZ 3.36Å
607	S	74.3	Confident	66.6	Low	45 Å²	45	66.9 Å²	66.9	32%	0.315	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.4	172.3	55.3	0	0	0	0	111	F316 T609	F316-S607 WeakPolarHBondContact O-CA 3.48Å; S607-T609 PolarHBondContact O-N 2.9Å
608	Y	64.3	Low	63.6	Low	32 Å²	32	70.8 Å²	70.8	13%	0.125	38%	0.38	C	S	.	.			trans	-93	68.1	176.4	-76.6	-95.9	0	0	0	110.9	F316 S318 V320 D341 S346 I611	F316-Y608 PolarHBondContact O-N 2.91Å; S318-Y608 VanDerWaalsContact CB-CE2 3.44Å; V320-Y608 HydrophobicContact CG1-CE2 4.04Å; V320-Y608 WeakPolarHBondContact CG1-OH 3.4Å; D341-Y608 VanDerWaalsContact CB-OH 3.29Å; D341-Y608 WeakPolarHBondContact CB-OH 3.39Å; S346-Y608 WeakPolarHBondContact OG-CE1 3.32Å; Y608-I611 HydrophobicContact CD1-CG1 4.02Å
609	T	51.5	Low	60.9	Low	86 Å²	86	74.4 Å²	74.4	53%	0.528	41%	0.405	S	S	.	.	S	Bend	trans	-80.5	-16.6	175.9	51.1	0	0	0	0	113.6	F316 S607	F316-T609 HydrophobicContact CE1-CG2 4.18Å; F316-T609 HydrophobicContact CE2-CG2 3.63Å; F316-T609 HydrophobicContact CZ-CG2 3.17Å; S607-T609 PolarHBondContact O-N 2.9Å
610	H	42.1	Very low	58	Low	158 Å²	158	78.8 Å²	78.8	73%	0.731	44%	0.437	S	S	*	.	S	Bend	trans	-139.9	92.3	-179	-72.2	77.3	0	0	0	110.4
611	I	45.7	Very low	55.2	Low	105 Å²	105	88.4 Å²	88.4	54%	0.538	50%	0.495	S	S	.	.			trans	-90.2	121.7	-179.9	-63.1	173.7	0	0	0	110.2	Y608 R613	Y608-I611 HydrophobicContact CD1-CG1 4.02Å; I611-R613 HydrophobicContact CG2-CB 4.41Å; I611-R613 HydrophobicContact CG2-CG 4.04Å
612	R	36.4	Very low	53.4	Low	229 Å²	229	92 Å²	92	86%	0.864	51%	0.514	S	S	*	.			trans	-94.1	110.2	144.5	-74.7	-170.4	178.6	-174.5	0.8	107.2	I614	R612-I614 PolarHBondContact O-N 3.34Å
613	R	39.2	Very low	51.3	Low	225 Å²	225	96.3 Å²	96.3	85%	0.849	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-63.7	129.8	173.4	-103.3	179.5	172.5	174.4	-2.2	108	I611 V615	I611-R613 HydrophobicContact CG2-CB 4.41Å; I611-R613 HydrophobicContact CG2-CG 4.04Å; R613-V615 PolarHBondContact O-N 3.29Å
614	I	42.2	Very low	49.1	Very low	69 Å²	69	101.1 Å²	101.1	35%	0.354	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-77.8	118.8	164.4	-50.5	174.5	0	0	0	106.7	R347 R612	R347-I614 HydrophobicContact CB-CD1 3.62Å; R347-I614 VanDerWaalsContact CD-CD1 3.42Å; R347-I614 HydrophobicContact CG-CD1 3.33Å; R347-I614 HydrophobicContact CG-CG1 3.88Å; R612-I614 PolarHBondContact O-N 3.34Å
615	V	34.4	Very low	46.7	Very low	103 Å²	103	107 Å²	107	62%	0.624	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-82.9	130.4	166.2	-174.5	0	0	0	0	107.4	R613 G617	R613-V615 PolarHBondContact O-N 3.29Å; V615-G617 PolarHBondContact O-N 3.09Å
616	P	31.7	Very low	44.3	Very low	126 Å²	126	111.9 Å²	111.9	82%	0.818	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	126.9	173.7	-19	30	0	0	0	110.1
617	G	38.4	Very low	41.8	Very low	75 Å²	75	118.5 Å²	118.5	77%	0.773	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	106.6	-1.7	173.7	0	0	0	0	0	116.8	V615 V619	V615-G617 PolarHBondContact O-N 3.09Å; G617-V619 VanDerWaalsContact C-N 3.32Å; G617-V619 PolarHBondContact O-N 3.35Å
618	A	30	Very low	39.5	Very low	83 Å²	83	123.8 Å²	123.8	69%	0.686	69%	0.691	S	S	*	*			trans	-80.1	82.2	170.3	0	0	0	0	0	110.5	S620	A618-S620 PolarHBondContact O-N 3.31Å
619	V	32.4	Very low	37.6	Very low	129 Å²	129	130.8 Å²	130.8	78%	0.782	73%	0.734	S	S	*	*			trans	-62.7	112.8	156.6	-175.7	0	0	0	0	105.8	G617 V621	G617-V619 VanDerWaalsContact C-N 3.32Å; G617-V619 PolarHBondContact O-N 3.35Å; V619-V621 PolarHBondContact O-N 2.96Å
620	S	32.7	Very low	36.4	Very low	105 Å²	105	134.6 Å²	134.6	73%	0.734	75%	0.751	S	S	*	*			trans	-66.7	118.3	169.1	52.3	0	0	0	0	107.8	A618	A618-S620 PolarHBondContact O-N 3.31Å
621	V	31.6	Very low	35.9	Very low	208 Å²	208	132.5 Å²	132.5	100%	1.261	75%	0.753	S	S	*	*			trans	-59.5	0	164.4	-178.1	0	0	0	0	109.6	V619	V619-V621 PolarHBondContact O-N 2.96Å

Retrieved 621 of 621 residues in 189.1 ms (Link to these results)

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