A0A087XE77_POEFO Loading...

tRNA (guanine(27)-N(2))-dimethyltransferase

AlphaFold DB , UniProt , Accession A0A087XE77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 678 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	28.1	Very low	249 Å²	249	149.3 Å²	149.3	100%	1.227	83%	0.832	S	S	*	*				0	104.3	0	-67.8	-125.4	-81.3	0	0	106.8
2	A	31.6	Very low	28	Very low	100 Å²	100	153 Å²	153	83%	0.826	84%	0.838	S	S	*	*			cis	-148.1	145.8	10.8	0	0	0	0	0	109
3	E	31.7	Very low	27.9	Very low	184 Å²	184	154.7 Å²	154.7	86%	0.86	84%	0.836	S	S	*	*			trans	-75.6	162.7	163.8	-66.5	168.6	142.1	0	0	110.8
4	L	28	Very low	27.9	Very low	149 Å²	149	155.4 Å²	155.4	78%	0.78	83%	0.831	S	S	*	*			trans	168.3	129.6	151.4	-84.9	145.8	0	0	0	104.8
5	K	29	Very low	27.9	Very low	190 Å²	190	155.7 Å²	155.7	83%	0.826	83%	0.826	S	S	*	*			cis	-165.7	149.4	10.3	-119	167.6	-178.2	176.4	0	108.5
6	E	28.6	Very low	27.8	Very low	192 Å²	192	153.9 Å²	153.9	90%	0.897	82%	0.816	S	S	*	*			trans	-73.1	173.2	170.5	-75.5	177.7	127.9	0	0	114.4
7	A	29.2	Very low	27.8	Very low	93 Å²	93	157.9 Å²	157.9	77%	0.769	82%	0.818	S	S	*	*			trans	121.1	135.1	139.7	0	0	0	0	0	112.7
8	V	26.1	Very low	27.7	Very low	131 Å²	131	153.4 Å²	153.4	79%	0.794	82%	0.816	S	S	*	*			cis	-158.1	147	21.3	175	0	0	0	0	109.6
9	A	24.3	Very low	27.7	Very low	83 Å²	83	154.1 Å²	154.1	69%	0.686	82%	0.818	S	S	*	*			trans	-0.8	160.2	139.5	0	0	0	0	0	119.9
10	S	26	Very low	27.7	Very low	95 Å²	95	154.9 Å²	154.9	66%	0.664	81%	0.814	S	S	*	*			cis	-177.9	153.5	15.8	-104.6	0	0	0	0	109.5
11	Q	25.5	Very low	27.7	Very low	176 Å²	176	156.1 Å²	156.1	82%	0.822	81%	0.808	S	S	*	*			trans	55.8	127	140.2	-65.3	172.7	-16.3	0	0	121.8
12	Q	26.8	Very low	27.5	Very low	194 Å²	194	152.2 Å²	152.2	91%	0.907	79%	0.792	S	S	*	*				-167.5	146.9	101.6	-100.4	172.7	-2.6	0	0	112.9
13	H	26.7	Very low	27.3	Very low	175 Å²	175	155.5 Å²	155.5	81%	0.81	79%	0.79	S	S	*	*			trans	-45.3	158.7	173.2	-78.7	-81.3	0	0	0	114
14	Q	27.3	Very low	27.1	Very low	165 Å²	165	154 Å²	154	77%	0.771	79%	0.789	S	S	*	*				177.8	119.3	72.1	-161.2	154.1	15.6	0	0	108.8
15	E	27.7	Very low	27	Very low	160 Å²	160	153 Å²	153	75%	0.748	79%	0.788	S	S	*	*				64.8	116.4	111.9	-76.3	-179.7	156.6	0	0	119.9
16	D	27.1	Very low	26.8	Very low	126 Å²	126	147 Å²	147	67%	0.674	78%	0.781	S	S	*	*				65.8	122.3	127.4	-95.1	6.7	0	0	0	125
17	R	27.8	Very low	26.7	Very low	223 Å²	223	146.4 Å²	146.4	84%	0.842	78%	0.778	S	S	*	*			trans	64.8	125	131.7	-68.3	177.9	-175.6	-152.2	-2.1	120.7
18	G	26.5	Very low	26.5	Very low	77 Å²	77	150 Å²	150	79%	0.794	78%	0.778	S	S	*	*			trans	-91.3	170	174.2	0	0	0	0	0	115.9
19	I	27.4	Very low	26.5	Very low	166 Å²	166	150.3 Å²	150.3	85%	0.851	78%	0.776	S	S	*	*			trans	-149.7	114.2	168.3	-71.9	177.5	0	0	0	103.7
20	K	27.8	Very low	26.5	Very low	169 Å²	169	151.3 Å²	151.3	74%	0.735	78%	0.778	S	S	*	*				34.9	148.7	108.2	-78.7	-173.2	173.2	175.7	0	113.9
21	R	26.4	Very low	26.4	Very low	181 Å²	181	151.9 Å²	151.9	68%	0.683	79%	0.788	S	S	*	*			cis	-175.8	155	-2.3	-109.6	176.9	-178.3	-169.4	-5.6	100.8
22	D	25.7	Very low	26.3	Very low	168 Å²	168	146.7 Å²	146.7	90%	0.898	78%	0.782	S	S	*	*				-169.2	133.6	122.7	-89.7	-18.3	0	0	0	109.7
23	E	27.4	Very low	26.1	Very low	168 Å²	168	143.1 Å²	143.1	79%	0.785	78%	0.778	S	S	*	*			trans	-90.4	168.6	174.3	-73	173.8	137.2	0	0	109.5
24	D	26.9	Very low	26	Very low	154 Å²	154	139.1 Å²	139.1	82%	0.824	78%	0.776	S	S	*	*			trans	78	137.5	149.8	-107.2	5	0	0	0	116.1
25	T	26.5	Very low	26.6	Very low	127 Å²	127	137 Å²	137	78%	0.779	78%	0.776	S	S	*	*			cis	-158.3	148.7	27.9	42.4	0	0	0	0	108.3
26	G	25.9	Very low	26.6	Very low	64 Å²	64	134.1 Å²	134.1	66%	0.66	78%	0.78	S	S	*	*				133.3	124.2	93.6	0	0	0	0	0	110.1
27	E	26.1	Very low	26.5	Very low	179 Å²	179	133.3 Å²	133.3	84%	0.836	79%	0.79	S	S	*	*				92.7	108.1	115.1	-76.7	-178.6	173.8	0	0	113.2
28	E	25.4	Very low	26.4	Very low	168 Å²	168	125.8 Å²	125.8	79%	0.785	78%	0.783	S	S	*	*				96.4	125.4	86.3	-84.6	-166.2	174.3	0	0	113.3
29	D	24.5	Very low	26.3	Very low	138 Å²	138	133.6 Å²	133.6	74%	0.738	79%	0.788	S	S	*	*			trans	58.6	113.8	144	-72.8	-6	0	0	0	124.4
30	S	24.6	Very low	26.2	Very low	105 Å²	105	130.6 Å²	130.6	73%	0.734	78%	0.782	S	S	*	*				79.1	120.9	120.5	81	0	0	0	0	120.8
31	A	25	Very low	26.1	Very low	106 Å²	106	129.2 Å²	129.2	88%	0.876	78%	0.783	S	S	*	*			trans	50.5	130.8	131.7	0	0	0	0	0	121.7
32	G	23.4	Very low	26.1	Very low	67 Å²	67	125.3 Å²	125.3	69%	0.691	79%	0.789	S	S	*	*			trans	123.2	84.9	155.3	0	0	0	0	0	112.8
33	S	22.7	Very low	26.1	Very low	119 Å²	119	121.9 Å²	121.9	83%	0.832	78%	0.784	S	S	*	*				80	112.7	98.5	70	0	0	0	0	114.9
34	A	24.2	Very low	26.1	Very low	91 Å²	91	118.4 Å²	118.4	75%	0.752	78%	0.784	S	S	*	*			trans	-6.4	160.9	144.2	0	0	0	0	0	117.7
35	P	38.9	Very low	26	Very low	121 Å²	121	119.3 Å²	119.3	79%	0.786	79%	0.789	S	S	*	*			cis	-159.8	170.9	44.1	41.9	-18	0	0	0	120.9
36	A	27.3	Very low	25.9	Very low	100 Å²	100	116.9 Å²	116.9	83%	0.826	79%	0.789	S	S	*	*			trans	58	132.9	133.3	0	0	0	0	0	124
37	A	25	Very low	25.8	Very low	108 Å²	108	121.2 Å²	121.2	89%	0.893	80%	0.797	S	S	*	*				169.7	148.7	105.4	0	0	0	0	0	109.4
38	G	25.8	Very low	25.8	Very low	66 Å²	66	117.7 Å²	117.7	68%	0.68	79%	0.792	S	S	*	*			cis	-168.7	144.3	3.7	0	0	0	0	0	108.1
39	R	26.1	Very low	25.9	Very low	241 Å²	241	118.6 Å²	118.6	91%	0.909	79%	0.794	S	S	*	*				71.5	133.4	98.1	-69.8	-171.8	176.8	-171.3	-1	113.7
40	S	25.3	Very low	26	Very low	102 Å²	102	118.1 Å²	118.1	71%	0.713	80%	0.798	S	S	*	*				-172	164.3	53.6	46.7	0	0	0	0	109.5
41	D	25.1	Very low	26.4	Very low	141 Å²	141	117.2 Å²	117.2	75%	0.754	79%	0.791	S	S	*	*			cis	-168.3	146.6	-10.6	-97.9	-29.8	0	0	0	110.7
42	A	26.8	Very low	26.4	Very low	99 Å²	99	119 Å²	119	82%	0.818	79%	0.791	S	S	*	*			trans	36.5	157	141.6	0	0	0	0	0	124.1
43	A	25.4	Very low	27	Very low	96 Å²	96	121.7 Å²	121.7	79%	0.793	80%	0.795	S	S	*	*			cis	179.2	151	-19.4	0	0	0	0	0	105.3
44	A	26	Very low	27.2	Very low	95 Å²	95	121.6 Å²	121.6	79%	0.785	79%	0.789	S	S	*	*				-175.5	147.6	65.6	0	0	0	0	0	114.7
45	D	25.8	Very low	28	Very low	173 Å²	173	123.4 Å²	123.4	93%	0.925	79%	0.793	S	S	*	*			trans	62.1	133	142.6	-87.8	-16.1	0	0	0	129.8
46	G	23.6	Very low	28.8	Very low	76 Å²	76	124.8 Å²	124.8	78%	0.784	79%	0.794	S	S	*	*			trans	89.7	129.9	152.3	0	0	0	0	0	117.6
47	D	24.2	Very low	31	Very low	155 Å²	155	128 Å²	128	83%	0.829	79%	0.785	S	S	*	*			cis	-168.1	152.1	11.9	-167.3	5.9	0	0	0	110.4
48	S	25.9	Very low	34	Very low	104 Å²	104	125.2 Å²	125.2	73%	0.727	75%	0.753	S	S	*	*			trans	57.1	119.5	159.4	68.9	0	0	0	0	124.3
49	K	27.2	Very low	36.9	Very low	188 Å²	188	125.5 Å²	125.5	82%	0.817	74%	0.739	S	S	*	*			trans	-78.4	164.4	159.4	-117.6	177.7	-170.7	175.6	0	110
50	P	27.8	Very low	39.9	Very low	128 Å²	128	114 Å²	114	83%	0.831	70%	0.695	S	S	*	*				-138.5	143	91.5	33.7	-17.9	0	0	0	114.7
51	S	32.2	Very low	43	Very low	85 Å²	85	110.1 Å²	110.1	59%	0.594	67%	0.666	S	S	*	*			trans	-65.6	145.5	162.7	48.4	0	0	0	0	112.2
52	T	25.4	Very low	46.1	Very low	143 Å²	143	104.9 Å²	104.9	88%	0.877	64%	0.637	S	S	*	*			trans	-178.5	159	130.3	17.6	0	0	0	0	114.6
53	T	36.3	Very low	48.9	Very low	125 Å²	125	104.6 Å²	104.6	77%	0.767	63%	0.626	S	S	*	*			trans	-67.5	139.3	-173	45.7	0	0	0	0	118.5
54	T	27.3	Very low	51.9	Low	116 Å²	116	106.7 Å²	106.7	71%	0.712	62%	0.617	S	S	*	*			trans	-167.5	151	142.1	43.7	0	0	0	0	110	D56	T54-D56 PolarHBondContact O-N 3.19Å
55	P	41.1	Very low	54.7	Low	129 Å²	129	103.8 Å²	103.8	84%	0.838	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-69.4	116.2	171.1	28.8	-31	0	0	0	109.6	R57	P55-R57 PolarHBondContact O-N 3.19Å
56	D	54.8	Low	57.5	Low	151 Å²	151	100.8 Å²	100.8	81%	0.807	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-63.4	130.3	-166	-87.6	-32.1	0	0	0	114.2	T54	T54-D56 PolarHBondContact O-N 3.19Å
57	R	74.2	Confident	60.3	Low	166 Å²	166	97.9 Å²	97.9	63%	0.626	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-69.2	140.9	169.2	-65.1	177.5	178.8	-179	1.9	109	P55 I59	P55-R57 PolarHBondContact O-N 3.19Å; R57-I59 PolarHBondContact O-N 3.43Å
58	H	87.3	Confident	63.1	Low	50 Å²	50	90.5 Å²	90.5	23%	0.231	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-59.5	138	178.1	-173.2	-95.4	0	0	0	111.6	S60 I61 C125 H146	H58-S60 WeakPolarHBondContact ND1-CB 3.44Å; H58-S60 PolarHBondContact ND1-N 3.19Å; H58-S60 PolarHBondContact ND1-OG 3.4Å; H58-S60 PolarHBondContact O-N 3.44Å; H58-I61 WeakPolarHBondContact O-CB 3.33Å; H58-I61 PolarHBondContact O-N 2.83Å; H58-C125 PolarHBondContact NE2-SG 3.27Å; H58-H146 HydrophobicContact CB-CB 4.13Å; H58-H146 AromaticContact CD2-CE1 3.48Å; H58-H146 PolarHBondContact CD2-CE1 2.91Å; H58-H146 VanDerWaalsContact CD2-CE1 3.48Å; H58-H146 AromaticContact CD2-ND1 3.9Å; H58-H146 AromaticContact CD2-NE2 3.79Å; H58-H146 AromaticContact CE1-CD2 3.63Å; H58-H146 AromaticContact CE1-CE1 3.76Å; H58-H146 AromaticContact CE1-NE2 3.25Å; H58-H146 PolarHBondContact CE1-NE2 3.38Å; H58-H146 VanDerWaalsContact CE1-NE2 3.25Å; H58-H146 AromaticContact CG-CD2 3.76Å; H58-H146 AromaticContact CG-CE1 3.52Å; H58-H146 AromaticContact CG-CG 3.68Å; H58-H146 AromaticContact CG-ND1 3.55Å; H58-H146 AromaticContact CG-NE2 3.68Å; H58-H146 AromaticContact ND1-CD2 3.27Å; H58-H146 PolarHBondContact ND1-CD2 3.31Å; H58-H146 VanDerWaalsContact ND1-CD2 3.27Å; H58-H146 AromaticContact ND1-CE1 3.69Å; H58-H146 AromaticContact ND1-CG 3.63Å; H58-H146 AromaticContact ND1-ND1 3.89Å; H58-H146 AromaticContact ND1-NE2 3.34Å; H58-H146 PolarHBondContact ND1-NE2 2.89Å; H58-H146 AromaticContact NE2-CE1 3.63Å; H58-H146 AromaticContact NE2-NE2 3.52Å
59	I	87.8	Confident	65.7	Low	72 Å²	72	87.2 Å²	87.2	37%	0.369	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.1	-174.8	57.3	166.1	0	0	0	115.2	R57 I61 Q62 L71 P83 L84	R57-I59 PolarHBondContact O-N 3.43Å; I59-I61 PolarHBondContact O-N 3.07Å; I59-Q62 PolarHBondContact O-NE2 3.11Å; I59-L71 HydrophobicContact CB-CD1 4.14Å; I59-L71 HydrophobicContact CB-CD2 4.22Å; I59-L71 HydrophobicContact CG2-CD2 4.28Å; I59-P83 HydrophobicContact CD1-CB 4.46Å; I59-L84 HydrophobicContact CD1-CD2 3.92Å; I59-L84 HydrophobicContact CG1-CD2 3.87Å
60	S	88.6	Confident	68.4	Low	0 Å²	0	85.6 Å²	85.6	0%	0	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.9	174.2	73.2	0	0	0	0	113.7	H58 C119 H146	H58-S60 WeakPolarHBondContact ND1-CB 3.44Å; H58-S60 PolarHBondContact ND1-N 3.19Å; H58-S60 PolarHBondContact ND1-OG 3.4Å; H58-S60 PolarHBondContact O-N 3.44Å; S60-C119 VanDerWaalsContact O-CB 3.31Å; S60-C119 WeakPolarHBondContact O-CB 3.35Å; S60-C119 PolarHBondContact O-N 2.92Å; S60-H146 PolarHBondContact OG-CD2 2.86Å; S60-H146 VanDerWaalsContact OG-CD2 3.3Å
61	I	90.7	Very high	70.9	Confident	20 Å²	20	82.4 Å²	82.4	10%	0.103	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	110.9	179.6	-56	172.6	0	0	0	107.8	H58 I59 R117 M118 H146 V148	H58-I61 WeakPolarHBondContact O-CB 3.33Å; H58-I61 PolarHBondContact O-N 2.83Å; I59-I61 PolarHBondContact O-N 3.07Å; I61-R117 WeakPolarHBondContact CA-O 3.3Å; I61-M118 HydrophobicContact CG1-CG 4.27Å; I61-M118 HydrophobicContact CG2-CG 4.47Å; I61-H146 HydrophobicContact CD1-CB 4.07Å; I61-H146 HydrophobicContact CG1-CB 4.27Å; I61-V148 HydrophobicContact CD1-CB 4.18Å; I61-V148 HydrophobicContact CD1-CG2 4.45Å; I61-V148 HydrophobicContact CG2-CB 4.31Å; I61-V148 HydrophobicContact CG2-CG2 4.01Å
62	Q	89	Confident	73.1	Confident	32 Å²	32	79.7 Å²	79.7	15%	0.15	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150.1	-172.4	-64.6	-63.1	-18.6	0	0	111.1	I59 L68 W107 R117	I59-Q62 PolarHBondContact O-NE2 3.11Å; Q62-L68 HydrophobicContact CB-CG 4.47Å; Q62-L68 HydrophobicContact CG-CD2 3.64Å; Q62-L68 HydrophobicContact CG-CG 3.87Å; Q62-W107 HydrophobicContact CB-CZ3 4.09Å; Q62-R117 PolarHBondContact N-O 2.91Å; Q62-R117 WeakPolarHBondContact O-CA 3.43Å; Q62-R117 WeakPolarHBondContact O-CB 3.47Å; Q62-R117 PolarHBondContact O-N 3.1Å
63	T	86.4	Confident	75.6	Confident	93 Å²	93	77.3 Å²	77.3	57%	0.571	41%	0.406	S	S	*	.	S	Bend	trans	-94.3	-31.2	177.1	52.8	0	0	0	0	112.2
64	K	88.6	Confident	77.3	Confident	140 Å²	140	72 Å²	72	61%	0.609	37%	0.373	S	S	*	.	S	Bend	trans	-135.6	161.6	177.9	-52.5	-176.3	177.5	177.6	0	111.5	E66 G67 W107	K64-E66 VanDerWaalsContact C-N 3.26Å; K64-E66 WeakPolarHBondContact CB-OE2 3.48Å; K64-E66 PolarHBondContact O-N 2.94Å; K64-G67 PolarHBondContact O-N 3.05Å; K64-G67 VanDerWaalsContact O-N 3.09Å; K64-W107 VanDerWaalsContact C-CZ3 3.41Å; K64-W107 WeakPolarHBondContact O-CH2 3.42Å; K64-W107 WeakPolarHBondContact O-CZ3 3.44Å
65	L	85.3	Confident	79.4	Confident	34 Å²	34	73.6 Å²	73.6	18%	0.178	38%	0.377	C	S	.	.	H	α-helix	trans	-64.2	-37	-176.8	172	61.2	0	0	0	111.1	G67 L68 E69 Q103 W107	L65-G67 PolarHBondContact O-N 3.07Å; L65-G67 VanDerWaalsContact O-N 3.12Å; L65-L68 PolarHBondContact O-N 3.47Å; L65-E69 PolarHBondContact O-N 3.15Å; L65-Q103 HydrophobicContact CD1-CG 3.71Å; L65-Q103 HydrophobicContact CD2-CG 3.73Å; L65-Q103 HydrophobicContact CG-CG 4.29Å; L65-W107 HydrophobicContact CB-CD2 3.93Å; L65-W107 HydrophobicContact CB-CE3 4.38Å; L65-W107 HydrophobicContact CB-CG 4.38Å; L65-W107 HydrophobicContact CB-CH2 4.41Å; L65-W107 HydrophobicContact CB-CZ2 3.91Å; L65-W107 HydrophobicContact CD1-CB 3.77Å; L65-W107 HydrophobicContact CD1-CD2 3.79Å; L65-W107 HydrophobicContact CD1-CE3 4.29Å; L65-W107 HydrophobicContact CD1-CG 3.54Å; L65-W107 HydrophobicContact CG-CD2 4.44Å; L65-W107 HydrophobicContact CG-CG 4.44Å; L65-W107 VanDerWaalsContact N-CZ2 3.32Å
66	E	83.9	Confident	80.7	Confident	110 Å²	110	68.6 Å²	68.6	51%	0.514	35%	0.349	S	S	.	.	H	α-helix	trans	-55.8	-30.1	176.4	-60	74.8	-161.4	0	0	110.9	K64 L68 E69 M70	K64-E66 VanDerWaalsContact C-N 3.26Å; K64-E66 WeakPolarHBondContact CB-OE2 3.48Å; K64-E66 PolarHBondContact O-N 2.94Å; E66-L68 VanDerWaalsContact C-N 3.35Å; E66-L68 PolarHBondContact O-N 2.63Å; E66-E69 CarbonylContact O-C 3.32Å; E66-E69 PolarHBondContact O-N 3.39Å; E66-M70 WeakPolarHBondContact O-CB 3.35Å; E66-M70 VanDerWaalsContact O-CG 3.23Å; E66-M70 WeakPolarHBondContact O-CG 3.32Å; E66-M70 PolarHBondContact O-N 2.89Å
67	G	82.4	Confident	81.1	Confident	14 Å²	14	66.6 Å²	66.6	14%	0.144	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-34.9	175.4	0	0	0	0	0	113.9	K64 L65 L71	K64-G67 PolarHBondContact O-N 3.05Å; K64-G67 VanDerWaalsContact O-N 3.09Å; L65-G67 PolarHBondContact O-N 3.07Å; L65-G67 VanDerWaalsContact O-N 3.12Å; G67-L71 WeakPolarHBondContact O-CG 3.24Å
68	L	82.4	Confident	81.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-76.2	-36.9	171.6	-72.5	-180	0	0	0	111.9	Q62 L65 E66 M70 L71 L84 H106 W107	Q62-L68 HydrophobicContact CB-CG 4.47Å; Q62-L68 HydrophobicContact CG-CD2 3.64Å; Q62-L68 HydrophobicContact CG-CG 3.87Å; L65-L68 PolarHBondContact O-N 3.47Å; E66-L68 VanDerWaalsContact C-N 3.35Å; E66-L68 PolarHBondContact O-N 2.63Å; L68-M70 VanDerWaalsContact C-N 3.3Å; L68-L71 HydrophobicContact CD2-CD1 4.01Å; L68-L71 WeakPolarHBondContact O-CB 3.44Å; L68-L71 PolarHBondContact O-N 2.87Å; L68-L84 HydrophobicContact CD2-CD1 3.75Å; L68-H106 HydrophobicContact CD1-CB 4.05Å; L68-W107 HydrophobicContact CD1-CB 4.16Å; L68-W107 HydrophobicContact CD1-CE3 3.85Å; L68-W107 HydrophobicContact CG-CE3 4.39Å
69	E	81.7	Confident	81.1	Confident	35 Å²	35	67 Å²	67	16%	0.164	37%	0.369	C	S	.	.	H	α-helix	trans	-69.9	-28.4	-179.8	-66	-166.4	-169	0	0	112.1	L65 E66 L71 L74 R99 Q103	L65-E69 PolarHBondContact O-N 3.15Å; E66-E69 CarbonylContact O-C 3.32Å; E66-E69 PolarHBondContact O-N 3.39Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L74 HydrophobicContact CB-CD1 3.72Å; E69-L74 HydrophobicContact CG-CD1 4.02Å; E69-R99 WeakPolarHBondContact OE1-CG 3.08Å; E69-R99 IonicContact OE1-NE 3.36Å; E69-R99 IonicContact OE2-CZ 2.79Å; E69-R99 IonicContact OE2-NE 2.91Å; E69-R99 PolarHBondContact OE2-NE 2.94Å; E69-R99 IonicContact OE2-NH2 3.85Å; E69-Q103 PolarHBondContact OE1-NE2 3.28Å
70	M	83.1	Confident	80.9	Confident	155 Å²	155	65.3 Å²	65.3	76%	0.764	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-15	174.8	-78.3	171	29.8	0	0	114.2	E66 L68 V72	E66-M70 WeakPolarHBondContact O-CB 3.35Å; E66-M70 VanDerWaalsContact O-CG 3.23Å; E66-M70 WeakPolarHBondContact O-CG 3.32Å; E66-M70 PolarHBondContact O-N 2.89Å; L68-M70 VanDerWaalsContact C-N 3.3Å; M70-V72 PolarHBondContact O-N 3.32Å
71	L	80.3	Confident	80.9	Confident	61 Å²	61	68.2 Å²	68.2	32%	0.319	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.2	176.5	-64.5	176.3	0	0	0	112.6	I59 G67 L68 E69 P83	I59-L71 HydrophobicContact CB-CD1 4.14Å; I59-L71 HydrophobicContact CB-CD2 4.22Å; I59-L71 HydrophobicContact CG2-CD2 4.28Å; G67-L71 WeakPolarHBondContact O-CG 3.24Å; L68-L71 HydrophobicContact CD2-CD1 4.01Å; L68-L71 WeakPolarHBondContact O-CB 3.44Å; L68-L71 PolarHBondContact O-N 2.87Å; E69-L71 VanDerWaalsContact C-N 3.33Å; L71-P83 HydrophobicContact CB-CB 4.25Å; L71-P83 HydrophobicContact CB-CG 3.96Å; L71-P83 HydrophobicContact CD1-CB 4.46Å; L71-P83 HydrophobicContact CD1-CG 4.11Å
72	V	79.4	Confident	80.8	Confident	27 Å²	27	67.5 Å²	67.5	16%	0.164	38%	0.376	C	S	.	.	S	Bend	trans	-139.5	133.4	178.8	-177.9	0	0	0	0	108.6	M70 L74 K80 P83 L98	M70-V72 PolarHBondContact O-N 3.32Å; V72-L74 PolarHBondContact O-N 2.99Å; V72-K80 HydrophobicContact CG1-CB 4.17Å; V72-K80 HydrophobicContact CG1-CD 4.11Å; V72-K80 HydrophobicContact CG1-CG 4.42Å; V72-P83 HydrophobicContact CG2-CB 4.19Å; V72-P83 HydrophobicContact CG2-CG 3.88Å; V72-L98 HydrophobicContact CB-CD2 4.31Å; V72-L98 HydrophobicContact CG1-CD2 3.97Å; V72-L98 HydrophobicContact CG2-CD2 4.46Å
73	D	76.4	Confident	80.8	Confident	93 Å²	93	67.4 Å²	67.4	50%	0.497	38%	0.378	S	S	.	.			trans	-65.5	102.1	171.9	169.1	30.6	0	0	0	110.7	N75 G76 K80	D73-N75 VanDerWaalsContact C-N 3.33Å; D73-N75 PolarHBondContact OD1-N 2.69Å; D73-G76 PolarHBondContact OD1-N 3.42Å; D73-G76 VanDerWaalsContact OD1-N 3.14Å; D73-G76 VanDerWaalsContact OD2-CA 3.23Å; D73-G76 WeakPolarHBondContact OD2-CA 3.37Å; D73-G76 PolarHBondContact OD2-N 2.93Å; D73-G76 VanDerWaalsContact OD2-N 3.08Å; D73-K80 WeakPolarHBondContact O-CE 3.46Å; D73-K80 PolarHBondContact O-NZ 3.12Å; D73-K80 IonicContact OD2-NZ 3.89Å
74	L	72.9	Confident	81	Confident	14 Å²	14	63 Å²	63	7%	0.073	35%	0.351	C	S	.	.	S	Bend	trans	-80.3	-11.3	179.2	-65.9	179.1	0	0	0	113.5	E69 V72 S95 L98 R99	E69-L74 HydrophobicContact CB-CD1 3.72Å; E69-L74 HydrophobicContact CG-CD1 4.02Å; V72-L74 PolarHBondContact O-N 2.99Å; L74-S95 VanDerWaalsContact O-CB 3.24Å; L74-S95 WeakPolarHBondContact O-CB 3.27Å; L74-L98 HydrophobicContact CD2-CD2 3.85Å; L74-L98 HydrophobicContact CD2-CG 4.22Å; L74-R99 HydrophobicContact CD1-CB 4.49Å
75	N	71.6	Confident	81	Confident	149 Å²	149	56.7 Å²	56.7	80%	0.797	33%	0.325	S	S	*	.	S	Bend	trans	-98.7	-19.6	-175.8	-67.1	-19.9	0	0	0	112.8	D73	D73-N75 VanDerWaalsContact C-N 3.33Å; D73-N75 PolarHBondContact OD1-N 2.69Å
76	G	68.5	Low	81.1	Confident	25 Å²	25	57.2 Å²	57.2	26%	0.258	33%	0.33	S	S	.	.	S	Bend	trans	-73.8	151.9	175	0	0	0	0	0	114.7	D73 K80	D73-G76 PolarHBondContact OD1-N 3.42Å; D73-G76 VanDerWaalsContact OD1-N 3.14Å; D73-G76 VanDerWaalsContact OD2-CA 3.23Å; D73-G76 WeakPolarHBondContact OD2-CA 3.37Å; D73-G76 PolarHBondContact OD2-N 2.93Å; D73-G76 VanDerWaalsContact OD2-N 3.08Å; G76-K80 WeakPolarHBondContact O-CE 3.48Å
77	A	63.2	Low	81	Confident	108 Å²	108	59.3 Å²	59.3	89%	0.893	34%	0.34	S	S	*	.	S	Bend	trans	-66	150	176.2	0	0	0	0	0	112.5
78	G	78.3	Confident	81.1	Confident	52 Å²	52	67.7 Å²	67.7	54%	0.536	38%	0.375	S	S	.	.	S	Bend	trans	113	176.9	174.3	0	0	0	0	0	115.6
79	R	83.4	Confident	81.1	Confident	174 Å²	174	72.7 Å²	72.7	66%	0.657	40%	0.397	S	S	*	.			trans	-83.1	134.6	175.5	-66.4	-175.7	-179.1	-173.5	2.7	109.7	A92	R79-A92 HydrophobicContact CB-CB 4.05Å
80	K	82.6	Confident	81.3	Confident	35 Å²	35	72.2 Å²	72.2	15%	0.152	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-116.5	134.7	-174.8	-54.2	-70.9	177.4	155.3	0	110.1	V72 D73 G76 A92 C93 L98	V72-K80 HydrophobicContact CG1-CB 4.17Å; V72-K80 HydrophobicContact CG1-CD 4.11Å; V72-K80 HydrophobicContact CG1-CG 4.42Å; D73-K80 WeakPolarHBondContact O-CE 3.46Å; D73-K80 PolarHBondContact O-NZ 3.12Å; D73-K80 IonicContact OD2-NZ 3.89Å; G76-K80 WeakPolarHBondContact O-CE 3.48Å; K80-A92 CarbonylContact O-C 3.05Å; K80-A92 VanDerWaalsContact O-CA 3.23Å; K80-A92 WeakPolarHBondContact O-CA 3.36Å; K80-C93 PolarHBondContact N-O 3.05Å; K80-C93 PolarHBondContact O-N 3.36Å; K80-L98 HydrophobicContact CB-CD2 3.56Å
81	S	88.1	Confident	81.4	Confident	62 Å²	62	72.8 Å²	72.8	43%	0.434	39%	0.393	S	S	.	.			trans	-88.7	163.8	174.4	53	0	0	0	0	111.2	L98	S81-L98 WeakPolarHBondContact O-CD2 3.21Å
82	C	89.8	Confident	81.7	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.034	39%	0.389	C	S	.	.			trans	-88.6	128.7	176.7	175	0	0	0	0	109.8	L84 C85 F90 L98 H101 H106	C82-L84 PolarHBondContact O-N 2.93Å; C82-L84 VanDerWaalsContact O-N 3.17Å; C82-C85 HydrophobicContact CB-CB 4Å; C82-C85 PolarHBondContact O-N 2.69Å; C82-C85 VanDerWaalsContact O-O 3.14Å; C82-F90 HydrophobicContact CB-CB 3.89Å; C82-F90 HydrophobicContact CB-CD1 3.46Å; C82-F90 VanDerWaalsContact CB-CD1 3.46Å; C82-F90 HydrophobicContact CB-CE1 4.13Å; C82-F90 HydrophobicContact CB-CG 3.71Å; C82-L98 HydrophobicContact CB-CD1 3.85Å; C82-H101 VanDerWaalsContact SG-CD2 3.58Å; C82-H101 PolarHBondContact SG-NE2 2.74Å; C82-H101 VanDerWaalsContact SG-NE2 3.41Å; C82-H106 PolarHBondContact SG-NE2 3.03Å; C82-H106 VanDerWaalsContact SG-NE2 3.39Å
83	P	87.8	Confident	82	Confident	29 Å²	29	71.4 Å²	71.4	19%	0.188	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.6	-177.1	31.3	-36.7	0	0	0	113.4	I59 L71 V72 L102 L123	I59-P83 HydrophobicContact CD1-CB 4.46Å; L71-P83 HydrophobicContact CB-CB 4.25Å; L71-P83 HydrophobicContact CB-CG 3.96Å; L71-P83 HydrophobicContact CD1-CB 4.46Å; L71-P83 HydrophobicContact CD1-CG 4.11Å; V72-P83 HydrophobicContact CG2-CB 4.19Å; V72-P83 HydrophobicContact CG2-CG 3.88Å; P83-L102 HydrophobicContact CG-CD2 4.43Å; P83-L123 VanDerWaalsContact O-CD1 3.3Å; P83-L123 WeakPolarHBondContact O-CD1 3.21Å
84	L	90.4	Very high	82.4	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	4.5	-177.7	-63.5	-178.8	0	0	0	113.1	I59 L68 C82 H106 H122 L123	I59-L84 HydrophobicContact CD1-CD2 3.92Å; I59-L84 HydrophobicContact CG1-CD2 3.87Å; L68-L84 HydrophobicContact CD2-CD1 3.75Å; C82-L84 PolarHBondContact O-N 2.93Å; C82-L84 VanDerWaalsContact O-N 3.17Å; L84-H106 WeakPolarHBondContact CB-CE1 3.45Å; L84-H106 HydrophobicContact CD1-CB 4.08Å; L84-H122 WeakPolarHBondContact O-CA 3.42Å; L84-H122 WeakPolarHBondContact O-CB 3.36Å; L84-H122 PolarHBondContact O-N 3.49Å; L84-L123 PolarHBondContact O-N 3.42Å
85	C	89.8	Confident	82.9	Confident	9 Å²	9	74.7 Å²	74.7	6%	0.061	40%	0.403	C	S	.	.	S	Bend	trans	-129.9	145.3	179.6	-74.4	0	0	0	0	111.9	C82 K89 F90 H106 H122	C82-C85 HydrophobicContact CB-CB 4Å; C82-C85 PolarHBondContact O-N 2.69Å; C82-C85 VanDerWaalsContact O-O 3.14Å; C85-K89 HydrophobicContact CB-CB 4.21Å; C85-F90 HydrophobicContact CB-CB 3.95Å; C85-H106 VanDerWaalsContact SG-CE1 3.54Å; C85-H106 PolarHBondContact SG-NE2 2.88Å; C85-H122 PolarHBondContact SG-CD2 2.84Å
86	P	87.3	Confident	83.4	Confident	45 Å²	45	73.2 Å²	73.2	29%	0.292	39%	0.391	S	S	.	.			trans	-69.5	159.5	164.4	31.2	-34.6	0	0	0	110.4	E88 K89 F90 H122	P86-E88 PolarHBondContact O-N 2.65Å; P86-E88 VanDerWaalsContact O-N 3.13Å; P86-K89 HydrophobicContact CG-CB 4.32Å; P86-K89 HydrophobicContact CG-CG 4.44Å; P86-K89 PolarHBondContact O-N 3.02Å; P86-F90 PolarHBondContact O-N 3.38Å; P86-F90 VanDerWaalsContact O-N 3.12Å; P86-H122 WeakPolarHBondContact CD-O 3.42Å
87	E	82.6	Confident	84.2	Confident	154 Å²	154	77.2 Å²	77.2	72%	0.72	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.7	-179.6	-65.6	-162.8	155.1	0	0	113.3	K89 F90 K91	E87-K89 PolarHBondContact O-N 3.18Å; E87-F90 CarbonylContact O-C 3.44Å; E87-F90 PolarHBondContact O-N 2.91Å; E87-K91 PolarHBondContact O-N 3.14Å
88	E	83.3	Confident	85.2	Confident	189 Å²	189	72.1 Å²	72.1	88%	0.883	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.9	175.8	-61.9	179	-177.7	0	0	113.1	P86	P86-E88 PolarHBondContact O-N 2.65Å; P86-E88 VanDerWaalsContact O-N 3.13Å
89	K	81.8	Confident	85.6	Confident	106 Å²	106	74.2 Å²	74.2	46%	0.461	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-29.7	179.6	-83.1	-174	173	173.3	0	113.4	C85 P86 E87 H122	C85-K89 HydrophobicContact CB-CB 4.21Å; P86-K89 HydrophobicContact CG-CB 4.32Å; P86-K89 HydrophobicContact CG-CG 4.44Å; P86-K89 PolarHBondContact O-N 3.02Å; E87-K89 PolarHBondContact O-N 3.18Å; K89-H122 HydrophobicContact CD-CB 3.9Å; K89-H122 PolarHBondContact NZ-ND1 2.68Å
90	F	87.3	Confident	85.7	Confident	25 Å²	25	74.5 Å²	74.5	11%	0.11	35%	0.352	C	S	.	.	S	Bend	trans	-141.7	101.7	176.3	-173.3	-91.6	0	0	0	110.3	C82 C85 P86 E87 L98 H101	C82-F90 HydrophobicContact CB-CB 3.89Å; C82-F90 HydrophobicContact CB-CD1 3.46Å; C82-F90 VanDerWaalsContact CB-CD1 3.46Å; C82-F90 HydrophobicContact CB-CE1 4.13Å; C82-F90 HydrophobicContact CB-CG 3.71Å; C85-F90 HydrophobicContact CB-CB 3.95Å; P86-F90 PolarHBondContact O-N 3.38Å; P86-F90 VanDerWaalsContact O-N 3.12Å; E87-F90 CarbonylContact O-C 3.44Å; E87-F90 PolarHBondContact O-N 2.91Å; F90-L98 HydrophobicContact CD1-CD1 4.4Å; F90-L98 HydrophobicContact CE1-CB 4.33Å; F90-L98 HydrophobicContact CE1-CD1 3.69Å; F90-L98 HydrophobicContact CZ-CB 3.97Å; F90-L98 HydrophobicContact CZ-CD1 3.82Å; F90-H101 HydrophobicContact CD2-CB 4.01Å; F90-H101 AromaticContact CD2-CD2 3.54Å; F90-H101 AromaticContact CD2-CE1 3.57Å; F90-H101 AromaticContact CD2-CG 3.42Å; F90-H101 VanDerWaalsContact CD2-CG 3.42Å; F90-H101 AromaticContact CD2-ND1 3.45Å; F90-H101 WeakPolarHBondContact CD2-ND1 3.5Å; F90-H101 AromaticContact CD2-NE2 3.65Å; F90-H101 HydrophobicContact CE2-CB 3.52Å; F90-H101 AromaticContact CE2-CD2 3.83Å; F90-H101 AromaticContact CE2-CG 3.49Å; F90-H101 VanDerWaalsContact CE2-CG 3.49Å; F90-H101 AromaticContact CE2-ND1 3.9Å; F90-H101 AromaticContact CG-NE2 3.88Å; F90-H101 HydrophobicContact CZ-CB 4.31Å
91	K	85.3	Confident	86.1	Confident	167 Å²	167	74.5 Å²	74.5	73%	0.726	35%	0.352	S	S	*	.			trans	-72.2	135.2	173.7	-169.2	170.3	-174.2	170.6	0	109.9	E87 C93	E87-K91 PolarHBondContact O-N 3.14Å; K91-C93 PolarHBondContact O-N 3.21Å
92	A	85.4	Confident	86.1	Confident	28 Å²	28	71.5 Å²	71.5	23%	0.231	33%	0.331	C	S	.	.			trans	-53.4	127.1	-178.2	0	0	0	0	0	111.9	R79 K80	R79-A92 HydrophobicContact CB-CB 4.05Å; K80-A92 CarbonylContact O-C 3.05Å; K80-A92 VanDerWaalsContact O-CA 3.23Å; K80-A92 WeakPolarHBondContact O-CA 3.36Å
93	C	86.6	Confident	86	Confident	30 Å²	30	74.4 Å²	74.4	20%	0.203	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-142.5	-177.3	-173	-151.7	0	0	0	0	111.7	K80 K91 K97	K80-C93 PolarHBondContact N-O 3.05Å; K80-C93 PolarHBondContact O-N 3.36Å; K91-C93 PolarHBondContact O-N 3.21Å; C93-K97 HydrophobicContact CB-CB 4.38Å; C93-K97 HydrophobicContact CB-CD 4.46Å; C93-K97 WeakPolarHBondContact SG-CD 3.42Å
94	Y	85.2	Confident	86.1	Confident	134 Å²	134	77 Å²	77	53%	0.525	36%	0.357	S	S	.	.			trans	-62.1	148.6	178.1	-63.6	-77	0	0	0	112.1	H96 K97 L98	Y94-H96 VanDerWaalsContact C-N 3.3Å; Y94-H96 PolarHBondContact O-N 2.96Å; Y94-K97 WeakPolarHBondContact O-CB 3.33Å; Y94-K97 PolarHBondContact O-N 2.84Å; Y94-L98 PolarHBondContact O-N 3.44Å
95	S	82.4	Confident	86.1	Confident	43 Å²	43	79.7 Å²	79.7	30%	0.301	37%	0.371	S	S	.	.	H	α-helix	trans	-53.4	-39.7	-174.1	54.8	0	0	0	0	114.1	L74 K97 L98 R99	L74-S95 VanDerWaalsContact O-CB 3.24Å; L74-S95 WeakPolarHBondContact O-CB 3.27Å; S95-K97 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact O-N 3.13Å; S95-L98 PolarHBondContact O-N 2.87Å; S95-R99 PolarHBondContact O-N 3.1Å
96	H	82.9	Confident	86.2	Confident	118 Å²	118	79.2 Å²	79.2	55%	0.546	37%	0.368	S	S	.	.	H	α-helix	trans	-63.2	-33.7	177.4	68.6	-88.7	0	0	0	113.4	Y94 R100	Y94-H96 VanDerWaalsContact C-N 3.3Å; Y94-H96 PolarHBondContact O-N 2.96Å; H96-R100 PolarHBondContact O-N 3.4Å
97	K	84.4	Confident	86.4	Confident	109 Å²	109	79 Å²	79	47%	0.474	36%	0.361	S	S	.	.	H	α-helix	trans	-74.3	-38.9	175.8	-76.7	174	179.2	-177.2	0	111.4	C93 Y94 S95 R100 H101	C93-K97 HydrophobicContact CB-CB 4.38Å; C93-K97 HydrophobicContact CB-CD 4.46Å; C93-K97 WeakPolarHBondContact SG-CD 3.42Å; Y94-K97 WeakPolarHBondContact O-CB 3.33Å; Y94-K97 PolarHBondContact O-N 2.84Å; S95-K97 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact O-N 3.13Å; K97-R100 PolarHBondContact O-N 3.09Å; K97-H101 WeakPolarHBondContact O-CB 3.04Å; K97-H101 PolarHBondContact O-N 2.94Å
98	L	85.2	Confident	86.7	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-46.2	173.6	175.2	59.7	0	0	0	111.3	V72 L74 K80 S81 C82 F90 Y94 S95 R100 H101 L102	V72-L98 HydrophobicContact CB-CD2 4.31Å; V72-L98 HydrophobicContact CG1-CD2 3.97Å; V72-L98 HydrophobicContact CG2-CD2 4.46Å; L74-L98 HydrophobicContact CD2-CD2 3.85Å; L74-L98 HydrophobicContact CD2-CG 4.22Å; K80-L98 HydrophobicContact CB-CD2 3.56Å; S81-L98 WeakPolarHBondContact O-CD2 3.21Å; C82-L98 HydrophobicContact CB-CD1 3.85Å; F90-L98 HydrophobicContact CD1-CD1 4.4Å; F90-L98 HydrophobicContact CE1-CB 4.33Å; F90-L98 HydrophobicContact CE1-CD1 3.69Å; F90-L98 HydrophobicContact CZ-CB 3.97Å; F90-L98 HydrophobicContact CZ-CD1 3.82Å; Y94-L98 PolarHBondContact O-N 3.44Å; S95-L98 PolarHBondContact O-N 2.87Å; L98-R100 VanDerWaalsContact C-N 3.34Å; L98-R100 PolarHBondContact O-N 3.44Å; L98-H101 WeakPolarHBondContact O-CB 3.26Å; L98-H101 PolarHBondContact O-N 3.31Å; L98-L102 HydrophobicContact CD1-CD1 4.27Å; L98-L102 HydrophobicContact CD1-CG 4.05Å; L98-L102 HydrophobicContact CG-CD1 4.22Å; L98-L102 HydrophobicContact CG-CG 4.43Å; L98-L102 WeakPolarHBondContact O-CG 3.38Å; L98-L102 PolarHBondContact O-N 3.46Å
99	R	85.8	Confident	87.1	Confident	96 Å²	96	72.2 Å²	72.2	36%	0.362	33%	0.33	S	S	.	.	H	α-helix	trans	-55.9	-48.5	175.8	-176.3	177.2	-75.5	146.3	6.3	111.4	E69 L74 S95 H101 L102 Q103	E69-R99 WeakPolarHBondContact OE1-CG 3.08Å; E69-R99 IonicContact OE1-NE 3.36Å; E69-R99 IonicContact OE2-CZ 2.79Å; E69-R99 IonicContact OE2-NE 2.91Å; E69-R99 PolarHBondContact OE2-NE 2.94Å; E69-R99 IonicContact OE2-NH2 3.85Å; L74-R99 HydrophobicContact CD1-CB 4.49Å; S95-R99 PolarHBondContact O-N 3.1Å; R99-H101 VanDerWaalsContact C-N 3.28Å; R99-H101 PolarHBondContact O-N 3.48Å; R99-L102 PolarHBondContact O-N 3.33Å; R99-Q103 WeakPolarHBondContact O-CB 3.49Å; R99-Q103 VanDerWaalsContact O-CG 3.31Å; R99-Q103 WeakPolarHBondContact O-CG 3.37Å; R99-Q103 PolarHBondContact O-N 3.12Å
100	R	86.5	Confident	87.6	Confident	181 Å²	181	69.9 Å²	69.9	68%	0.683	32%	0.319	S	S	*	.	H	α-helix	trans	-62	-34.4	176.9	-169.2	175.1	178.6	178.8	0.6	112.6	H96 K97 L98 N104	H96-R100 PolarHBondContact O-N 3.4Å; K97-R100 PolarHBondContact O-N 3.09Å; L98-R100 VanDerWaalsContact C-N 3.34Å; L98-R100 PolarHBondContact O-N 3.44Å; R100-N104 WeakPolarHBondContact CG-ND2 3.46Å; R100-N104 WeakPolarHBondContact O-CB 3.48Å; R100-N104 PolarHBondContact O-N 3.13Å; R100-N104 PolarHBondContact O-ND2 2.97Å
101	H	89.6	Confident	87.8	Confident	34 Å²	34	68.9 Å²	68.9	16%	0.157	32%	0.315	C	S	.	.	H	α-helix	trans	-69.9	-47.8	176.6	172.5	83.2	0	0	0	112.4	C82 F90 K97 L98 R99 Q103 N104 L105 H106	C82-H101 VanDerWaalsContact SG-CD2 3.58Å; C82-H101 PolarHBondContact SG-NE2 2.74Å; C82-H101 VanDerWaalsContact SG-NE2 3.41Å; F90-H101 HydrophobicContact CD2-CB 4.01Å; F90-H101 AromaticContact CD2-CD2 3.54Å; F90-H101 AromaticContact CD2-CE1 3.57Å; F90-H101 AromaticContact CD2-CG 3.42Å; F90-H101 VanDerWaalsContact CD2-CG 3.42Å; F90-H101 AromaticContact CD2-ND1 3.45Å; F90-H101 WeakPolarHBondContact CD2-ND1 3.5Å; F90-H101 AromaticContact CD2-NE2 3.65Å; F90-H101 HydrophobicContact CE2-CB 3.52Å; F90-H101 AromaticContact CE2-CD2 3.83Å; F90-H101 AromaticContact CE2-CG 3.49Å; F90-H101 VanDerWaalsContact CE2-CG 3.49Å; F90-H101 AromaticContact CE2-ND1 3.9Å; F90-H101 AromaticContact CG-NE2 3.88Å; F90-H101 HydrophobicContact CZ-CB 4.31Å; K97-H101 WeakPolarHBondContact O-CB 3.04Å; K97-H101 PolarHBondContact O-N 2.94Å; L98-H101 WeakPolarHBondContact O-CB 3.26Å; L98-H101 PolarHBondContact O-N 3.31Å; R99-H101 VanDerWaalsContact C-N 3.28Å; R99-H101 PolarHBondContact O-N 3.48Å; H101-Q103 VanDerWaalsContact C-N 3.28Å; H101-Q103 PolarHBondContact O-N 2.92Å; H101-N104 PolarHBondContact O-N 3.12Å; H101-L105 WeakPolarHBondContact CE1-CD2 3.48Å; H101-L105 WeakPolarHBondContact O-CB 3.45Å; H101-L105 PolarHBondContact O-N 3.16Å; H101-H106 AromaticContact NE2-CD2 3.76Å; H101-H106 AromaticContact NE2-NE2 3.4Å; H101-H106 PolarHBondContact NE2-NE2 3.38Å
102	L	88.4	Confident	88	Confident	0 Å²	0	66 Å²	66	0%	0	30%	0.304	C	S	.	.	I	π-helix	trans	-57.1	-43.7	175.2	-70.1	175.5	0	0	0	111.2	P83 L98 R99 H106 W107	P83-L102 HydrophobicContact CG-CD2 4.43Å; L98-L102 HydrophobicContact CD1-CD1 4.27Å; L98-L102 HydrophobicContact CD1-CG 4.05Å; L98-L102 HydrophobicContact CG-CD1 4.22Å; L98-L102 HydrophobicContact CG-CG 4.43Å; L98-L102 WeakPolarHBondContact O-CG 3.38Å; L98-L102 PolarHBondContact O-N 3.46Å; R99-L102 PolarHBondContact O-N 3.33Å; L102-H106 PolarHBondContact O-N 3.04Å; L102-W107 WeakPolarHBondContact O-CB 3.36Å; L102-W107 PolarHBondContact O-N 3.35Å
103	Q	88.8	Confident	88.2	Confident	66 Å²	66	66.4 Å²	66.4	31%	0.308	30%	0.301	S	S	.	.	I	π-helix	trans	-67.4	-48.7	179	-71.2	175.6	7.1	0	0	113	L65 E69 R99 H101 W107 K108	L65-Q103 HydrophobicContact CD1-CG 3.71Å; L65-Q103 HydrophobicContact CD2-CG 3.73Å; L65-Q103 HydrophobicContact CG-CG 4.29Å; E69-Q103 PolarHBondContact OE1-NE2 3.28Å; R99-Q103 WeakPolarHBondContact O-CB 3.49Å; R99-Q103 VanDerWaalsContact O-CG 3.31Å; R99-Q103 WeakPolarHBondContact O-CG 3.37Å; R99-Q103 PolarHBondContact O-N 3.12Å; H101-Q103 VanDerWaalsContact C-N 3.28Å; H101-Q103 PolarHBondContact O-N 2.92Å; Q103-W107 WeakPolarHBondContact O-CB 3.35Å; Q103-K108 WeakPolarHBondContact O-CB 3.49Å; Q103-K108 PolarHBondContact O-N 2.86Å; Q103-K108 VanDerWaalsContact O-N 3.08Å
104	N	89.4	Confident	88	Confident	83 Å²	83	72.2 Å²	72.2	44%	0.444	32%	0.323	S	S	.	.	I	π-helix	trans	-86.1	-23.9	-170.7	-70.6	-59.1	0	0	0	114.7	R100 H101 K108	R100-N104 WeakPolarHBondContact CG-ND2 3.46Å; R100-N104 WeakPolarHBondContact O-CB 3.48Å; R100-N104 PolarHBondContact O-N 3.13Å; R100-N104 PolarHBondContact O-ND2 2.97Å; H101-N104 PolarHBondContact O-N 3.12Å; N104-K108 WeakPolarHBondContact O-CB 3.39Å
105	L	90.5	Very high	87.8	Confident	56 Å²	56	68.1 Å²	68.1	29%	0.293	32%	0.321	S	S	.	.	I	π-helix	trans	-100.8	-63.3	177.8	-174.2	66.6	0	0	0	111	H101 V109	H101-L105 WeakPolarHBondContact CE1-CD2 3.48Å; H101-L105 WeakPolarHBondContact O-CB 3.45Å; H101-L105 PolarHBondContact O-N 3.16Å; L105-V109 WeakPolarHBondContact O-CB 3.38Å; L105-V109 VanDerWaalsContact O-CG2 3.25Å; L105-V109 WeakPolarHBondContact O-CG2 3.3Å; L105-V109 PolarHBondContact O-N 2.74Å; L105-V109 VanDerWaalsContact O-N 3.16Å
106	H	92.1	Very high	88.1	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	31%	0.311	C	S	.	.	I	π-helix	trans	-76.8	-47.9	-170.4	-65.1	-74	0	0	0	112.7	L68 C82 L84 C85 H101 L102 V109 C119 I120 H122	L68-H106 HydrophobicContact CD1-CB 4.05Å; C82-H106 PolarHBondContact SG-NE2 3.03Å; C82-H106 VanDerWaalsContact SG-NE2 3.39Å; L84-H106 WeakPolarHBondContact CB-CE1 3.45Å; L84-H106 HydrophobicContact CD1-CB 4.08Å; C85-H106 VanDerWaalsContact SG-CE1 3.54Å; C85-H106 PolarHBondContact SG-NE2 2.88Å; H101-H106 AromaticContact NE2-CD2 3.76Å; H101-H106 AromaticContact NE2-NE2 3.4Å; H101-H106 PolarHBondContact NE2-NE2 3.38Å; L102-H106 PolarHBondContact O-N 3.04Å; H106-V109 CarbonylContact O-C 3.59Å; H106-C119 HydrophobicContact CB-CB 4.32Å; H106-C119 VanDerWaalsContact O-CB 3.23Å; H106-C119 WeakPolarHBondContact O-CB 3.36Å; H106-C119 PolarHBondContact O-SG 3.12Å; H106-I120 PolarHBondContact CE1-O 2.84Å; H106-I120 PolarHBondContact ND1-O 2.84Å; H106-H122 AromaticContact CE1-CD2 3.78Å
107	W	91.1	Very high	88.6	Confident	41 Å²	41	63.7 Å²	63.7	16%	0.155	30%	0.295	C	S	.	.	I	π-helix	trans	-74.8	-34.7	-178	-170.6	-110.5	0	0	0	113.1	Q62 K64 L65 L68 L102 Q103 Y110 R117	Q62-W107 HydrophobicContact CB-CZ3 4.09Å; K64-W107 VanDerWaalsContact C-CZ3 3.41Å; K64-W107 WeakPolarHBondContact O-CH2 3.42Å; K64-W107 WeakPolarHBondContact O-CZ3 3.44Å; L65-W107 HydrophobicContact CB-CD2 3.93Å; L65-W107 HydrophobicContact CB-CE3 4.38Å; L65-W107 HydrophobicContact CB-CG 4.38Å; L65-W107 HydrophobicContact CB-CH2 4.41Å; L65-W107 HydrophobicContact CB-CZ2 3.91Å; L65-W107 HydrophobicContact CD1-CB 3.77Å; L65-W107 HydrophobicContact CD1-CD2 3.79Å; L65-W107 HydrophobicContact CD1-CE3 4.29Å; L65-W107 HydrophobicContact CD1-CG 3.54Å; L65-W107 HydrophobicContact CG-CD2 4.44Å; L65-W107 HydrophobicContact CG-CG 4.44Å; L65-W107 VanDerWaalsContact N-CZ2 3.32Å; L68-W107 HydrophobicContact CD1-CB 4.16Å; L68-W107 HydrophobicContact CD1-CE3 3.85Å; L68-W107 HydrophobicContact CG-CE3 4.39Å; L102-W107 WeakPolarHBondContact O-CB 3.36Å; L102-W107 PolarHBondContact O-N 3.35Å; Q103-W107 WeakPolarHBondContact O-CB 3.35Å; W107-Y110 WeakPolarHBondContact O-CD1 3.46Å; W107-R117 HydrophobicContact CH2-CG 4.45Å; W107-R117 HydrophobicContact CZ3-CB 4.39Å
108	K	89.1	Confident	89	Confident	148 Å²	148	58.5 Å²	58.5	64%	0.643	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-29.3	177.5	-163.7	172.4	-176.8	175	0	112.7	Q103 N104	Q103-K108 WeakPolarHBondContact O-CB 3.49Å; Q103-K108 PolarHBondContact O-N 2.86Å; Q103-K108 VanDerWaalsContact O-N 3.08Å; N104-K108 WeakPolarHBondContact O-CB 3.39Å
109	V	90.9	Very high	89.4	Confident	52 Å²	52	58.5 Å²	58.5	32%	0.315	27%	0.272	S	S	.	.	S	Bend	trans	-103.3	85.3	177.9	-171	0	0	0	0	110	L105 H106 I120 F145	L105-V109 WeakPolarHBondContact O-CB 3.38Å; L105-V109 VanDerWaalsContact O-CG2 3.25Å; L105-V109 WeakPolarHBondContact O-CG2 3.3Å; L105-V109 PolarHBondContact O-N 2.74Å; L105-V109 VanDerWaalsContact O-N 3.16Å; H106-V109 CarbonylContact O-C 3.59Å; V109-I120 HydrophobicContact CB-CB 4.38Å; V109-I120 HydrophobicContact CB-CG2 3.92Å; V109-I120 HydrophobicContact CG1-CB 4.17Å; V109-I120 HydrophobicContact CG1-CD1 4.05Å; V109-I120 HydrophobicContact CG1-CG2 4.2Å; V109-I120 PolarHBondContact O-N 2.83Å; V109-F145 HydrophobicContact CG1-CE1 4.38Å; V109-F145 HydrophobicContact CG1-CZ 4.06Å
110	Y	92.6	Very high	89.7	Confident	56 Å²	56	54.9 Å²	54.9	22%	0.22	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	166.9	-177.9	68.4	-79.4	0	0	0	113.1	W107 E112 R117 M118 K157	W107-Y110 WeakPolarHBondContact O-CD1 3.46Å; Y110-E112 HydrophobicContact CD2-CB 4.01Å; Y110-E112 HydrophobicContact CE2-CB 3.81Å; Y110-R117 HydrophobicContact CD2-CB 4.03Å; Y110-R117 HydrophobicContact CD2-CG 3.62Å; Y110-R117 HydrophobicContact CE2-CG 3.97Å; Y110-R117 VanDerWaalsContact CE2-NE 3.3Å; Y110-R117 HydrophobicContact CG-CB 4.36Å; Y110-R117 HydrophobicContact CG-CG 4.28Å; Y110-R117 VanDerWaalsContact CZ-CZ 3.46Å; Y110-R117 PolarHBondContact OH-NH2 2.98Å; Y110-M118 WeakPolarHBondContact CA-O 3.37Å; Y110-K157 WeakPolarHBondContact O-CE 3.22Å; Y110-K157 PolarHBondContact O-NZ 3.3Å
111	V	91.4	Very high	90	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.1	161.3	179.9	0	0	0	0	108.2	M118 F145 K157 M160 I161 L164	V111-M118 HydrophobicContact CB-SD 4.38Å; V111-M118 HydrophobicContact CG1-SD 4.39Å; V111-M118 PolarHBondContact N-O 2.8Å; V111-M118 PolarHBondContact O-N 3.45Å; V111-F145 HydrophobicContact CG2-CD1 4.35Å; V111-F145 HydrophobicContact CG2-CE1 4.45Å; V111-K157 HydrophobicContact CG2-CD 4.4Å; V111-K157 HydrophobicContact CG2-CG 3.72Å; V111-M160 HydrophobicContact CB-CG 4.22Å; V111-M160 HydrophobicContact CG1-CG 4.18Å; V111-M160 HydrophobicContact CG2-CB 4.19Å; V111-M160 HydrophobicContact CG2-CG 4Å; V111-I161 HydrophobicContact CG1-CG1 3.96Å; V111-I161 HydrophobicContact CG2-CG1 4.37Å; V111-L164 HydrophobicContact CG1-CD1 3.54Å
112	E	90.5	Very high	90	Very high	107 Å²	107	45.5 Å²	45.5	50%	0.5	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137	-178.7	-175.7	168.5	171.5	0	0	111.7	Y110 S116 R117	Y110-E112 HydrophobicContact CD2-CB 4.01Å; Y110-E112 HydrophobicContact CE2-CB 3.81Å; E112-S116 WeakPolarHBondContact CA-O 3.4Å; E112-R117 HydrophobicContact CB-CG 4.47Å; E112-R117 HydrophobicContact CG-CG 4.42Å; E112-R117 IonicContact OE2-NE 3.25Å; E112-R117 IonicContact OE2-NH2 2.86Å
113	F	88.1	Confident	90	Very high	35 Å²	35	48 Å²	48	15%	0.154	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	124.1	177.2	-174	-106.1	0	0	0	110.6	G115 S116 M118 V148 V149 L164 F168	F113-G115 VanDerWaalsContact C-N 3.28Å; F113-G115 PolarHBondContact O-N 2.78Å; F113-S116 PolarHBondContact N-O 2.86Å; F113-S116 WeakPolarHBondContact O-CB 3.39Å; F113-S116 PolarHBondContact O-N 3.06Å; F113-M118 HydrophobicContact CB-SD 4.32Å; F113-V148 HydrophobicContact CD1-CG1 3.81Å; F113-V149 HydrophobicContact CD1-CG2 4.43Å; F113-V149 HydrophobicContact CE1-CG2 3.89Å; F113-L164 HydrophobicContact CB-CD1 3.86Å; F113-L164 HydrophobicContact CB-CD2 4.29Å; F113-L164 HydrophobicContact CD1-CD2 4.16Å; F113-L164 HydrophobicContact CD2-CB 4.34Å; F113-L164 HydrophobicContact CD2-CD1 4.25Å; F113-L164 HydrophobicContact CD2-CD2 4.24Å; F113-L164 HydrophobicContact CG-CD1 4.19Å; F113-L164 HydrophobicContact CG-CD2 3.97Å; F113-F168 HydrophobicContact CE2-CD2 4.49Å
114	K	82.3	Confident	89.7	Confident	153 Å²	153	48.4 Å²	48.4	67%	0.665	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	46.9	178.4	-65	-172	173.4	-173.9	0	113.4	S116	K114-S116 PolarHBondContact O-N 2.83Å
115	G	82.6	Confident	89.3	Confident	47 Å²	47	46.2 Å²	46.2	49%	0.485	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	1.8	179.5	0	0	0	0	0	115.7	F113	F113-G115 VanDerWaalsContact C-N 3.28Å; F113-G115 PolarHBondContact O-N 2.78Å
116	S	88.5	Confident	88.2	Confident	14 Å²	14	52.1 Å²	52.1	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.8	171.5	-60.5	0	0	0	0	110.7	E112 F113 K114	E112-S116 WeakPolarHBondContact CA-O 3.4Å; F113-S116 PolarHBondContact N-O 2.86Å; F113-S116 WeakPolarHBondContact O-CB 3.39Å; F113-S116 PolarHBondContact O-N 3.06Å; K114-S116 PolarHBondContact O-N 2.83Å
117	R	92.2	Very high	86.5	Confident	54 Å²	54	59.8 Å²	59.8	20%	0.204	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.5	172.4	-67.5	-170.4	172	178.3	0.7	110.3	I61 Q62 W107 Y110 E112 C119	I61-R117 WeakPolarHBondContact CA-O 3.3Å; Q62-R117 PolarHBondContact N-O 2.91Å; Q62-R117 WeakPolarHBondContact O-CA 3.43Å; Q62-R117 WeakPolarHBondContact O-CB 3.47Å; Q62-R117 PolarHBondContact O-N 3.1Å; W107-R117 HydrophobicContact CH2-CG 4.45Å; W107-R117 HydrophobicContact CZ3-CB 4.39Å; Y110-R117 HydrophobicContact CD2-CB 4.03Å; Y110-R117 HydrophobicContact CD2-CG 3.62Å; Y110-R117 HydrophobicContact CE2-CG 3.97Å; Y110-R117 VanDerWaalsContact CE2-NE 3.3Å; Y110-R117 HydrophobicContact CG-CB 4.36Å; Y110-R117 HydrophobicContact CG-CG 4.28Å; Y110-R117 VanDerWaalsContact CZ-CZ 3.46Å; Y110-R117 PolarHBondContact OH-NH2 2.98Å; E112-R117 HydrophobicContact CB-CG 4.47Å; E112-R117 HydrophobicContact CG-CG 4.42Å; E112-R117 IonicContact OE2-NE 3.25Å; E112-R117 IonicContact OE2-NH2 2.86Å; R117-C119 PolarHBondContact O-N 2.77Å
118	M	93.9	Very high	84.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	96.4	172.5	-53.2	126.4	81.4	0	0	107.3	I61 Y110 V111 F113 F145 H146 V148 M160 L164	I61-M118 HydrophobicContact CG1-CG 4.27Å; I61-M118 HydrophobicContact CG2-CG 4.47Å; Y110-M118 WeakPolarHBondContact CA-O 3.37Å; V111-M118 HydrophobicContact CB-SD 4.38Å; V111-M118 HydrophobicContact CG1-SD 4.39Å; V111-M118 PolarHBondContact N-O 2.8Å; V111-M118 PolarHBondContact O-N 3.45Å; F113-M118 HydrophobicContact CB-SD 4.32Å; M118-F145 WeakPolarHBondContact O-CD1 3.31Å; M118-H146 VanDerWaalsContact CE-O 3.27Å; M118-H146 WeakPolarHBondContact CE-O 3.36Å; M118-H146 WeakPolarHBondContact CG-O 3.4Å; M118-V148 HydrophobicContact CG-CB 4.49Å; M118-V148 HydrophobicContact SD-CG1 4.35Å; M118-M160 HydrophobicContact CE-CE 3.92Å; M118-M160 HydrophobicContact CE-CG 3.73Å; M118-M160 HydrophobicContact CE-SD 3.41Å; M118-M160 WeakPolarHBondContact CE-SD 3.32Å; M118-L164 HydrophobicContact CE-CD1 3.78Å; M118-L164 HydrophobicContact CE-CD2 3.86Å; M118-L164 HydrophobicContact CE-CG 4.04Å; M118-L164 HydrophobicContact SD-CD1 4Å; M118-L164 HydrophobicContact SD-CD2 4.5Å
119	C	93.6	Very high	81.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	151.2	178.2	-66.3	0	0	0	0	110.9	S60 H106 R117	S60-C119 VanDerWaalsContact O-CB 3.31Å; S60-C119 WeakPolarHBondContact O-CB 3.35Å; S60-C119 PolarHBondContact O-N 2.92Å; H106-C119 HydrophobicContact CB-CB 4.32Å; H106-C119 VanDerWaalsContact O-CB 3.23Å; H106-C119 WeakPolarHBondContact O-CB 3.36Å; H106-C119 PolarHBondContact O-SG 3.12Å; R117-C119 PolarHBondContact O-N 2.77Å
120	I	92.8	Very high	78.8	Confident	21 Å²	21	69.7 Å²	69.7	11%	0.108	37%	0.368	C	S	.	.			trans	-60.6	138.1	174.6	-167.1	165	0	0	0	110.2	H106 V109 A143 F145	H106-I120 PolarHBondContact CE1-O 2.84Å; H106-I120 PolarHBondContact ND1-O 2.84Å; V109-I120 HydrophobicContact CB-CB 4.38Å; V109-I120 HydrophobicContact CB-CG2 3.92Å; V109-I120 HydrophobicContact CG1-CB 4.17Å; V109-I120 HydrophobicContact CG1-CD1 4.05Å; V109-I120 HydrophobicContact CG1-CG2 4.2Å; V109-I120 PolarHBondContact O-N 2.83Å; I120-A143 HydrophobicContact CD1-CB 3.7Å; I120-A143 HydrophobicContact CG1-CB 3.94Å; I120-F145 HydrophobicContact CB-CD1 4.39Å; I120-F145 HydrophobicContact CB-CE1 3.79Å; I120-F145 HydrophobicContact CB-CZ 4.12Å; I120-F145 HydrophobicContact CD1-CZ 4.25Å; I120-F145 HydrophobicContact CG1-CE1 4.33Å; I120-F145 HydrophobicContact CG1-CZ 4.23Å
121	C	92.1	Very high	76.1	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-118.7	140.2	177.4	-174	0	0	0	0	109.3	C125 A143 H144	C121-C125 VanDerWaalsContact SG-SG 3.65Å; C121-A143 WeakPolarHBondContact O-CA 3.48Å; C121-H144 PolarHBondContact N-O 3.26Å; C121-H144 PolarHBondContact O-N 3.18Å
122	H	89	Confident	74	Confident	18 Å²	18	80.2 Å²	80.2	8%	0.083	43%	0.434	C	S	.	.			trans	-117	-1.4	176.9	-66.9	-63.5	0	0	0	113.3	L84 C85 P86 K89 H106 A143	L84-H122 WeakPolarHBondContact O-CA 3.42Å; L84-H122 WeakPolarHBondContact O-CB 3.36Å; L84-H122 PolarHBondContact O-N 3.49Å; C85-H122 PolarHBondContact SG-CD2 2.84Å; P86-H122 WeakPolarHBondContact CD-O 3.42Å; K89-H122 HydrophobicContact CD-CB 3.9Å; K89-H122 PolarHBondContact NZ-ND1 2.68Å; H106-H122 AromaticContact CE1-CD2 3.78Å; H122-A143 WeakPolarHBondContact CE1-CB 3.45Å; H122-A143 WeakPolarHBondContact ND1-CB 3.39Å
123	L	88.4	Confident	71.6	Confident	53 Å²	53	79.5 Å²	79.5	28%	0.277	44%	0.441	S	S	.	.	S	Bend	trans	-65.5	167.6	173.6	-64.1	-179.7	0	0	0	111.8	P83 L84 C125 H144	P83-L123 VanDerWaalsContact O-CD1 3.3Å; P83-L123 WeakPolarHBondContact O-CD1 3.21Å; L84-L123 PolarHBondContact O-N 3.42Å; L123-C125 VanDerWaalsContact C-N 3.34Å; L123-C125 VanDerWaalsContact CB-SG 3.58Å; L123-C125 PolarHBondContact O-N 3.3Å; L123-C125 VanDerWaalsContact O-N 3.12Å; L123-H144 PolarHBondContact O-CE1 3.14Å
124	A	83.4	Confident	69.5	Low	74 Å²	74	81.8 Å²	81.8	61%	0.612	47%	0.474	S	S	*	.			trans	-84	71.4	173.9	0	0	0	0	0	111.2
125	C	80.7	Confident	67.3	Low	37 Å²	37	81.7 Å²	81.7	25%	0.25	48%	0.481	C	S	.	.			trans	-92	13.9	-176	-48.1	0	0	0	0	115.2	H58 C121 L123 H144 H146 T153	H58-C125 PolarHBondContact NE2-SG 3.27Å; C121-C125 VanDerWaalsContact SG-SG 3.65Å; L123-C125 VanDerWaalsContact C-N 3.34Å; L123-C125 VanDerWaalsContact CB-SG 3.58Å; L123-C125 PolarHBondContact O-N 3.3Å; L123-C125 VanDerWaalsContact O-N 3.12Å; C125-H144 WeakPolarHBondContact CB-NE2 3.38Å; C125-H146 WeakPolarHBondContact CB-CE1 3.43Å; C125-T153 HydrophobicContact CB-CG2 4.4Å
126	R	67.5	Low	65.1	Low	180 Å²	180	88.8 Å²	88.8	68%	0.679	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-94.4	123.4	175.8	-83.4	-174.4	170.6	-173.8	-2	109.8	P128	R126-P128 WeakPolarHBondContact O-CD 3.45Å
127	N	55.3	Low	62.5	Low	160 Å²	160	94.1 Å²	94.1	86%	0.856	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-69	122.4	162.4	-80	-11.1	0	0	0	109.1	K129	N127-K129 PolarHBondContact O-N 3.05Å
128	P	43.1	Very low	60.2	Low	120 Å²	120	97.1 Å²	97.1	78%	0.779	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-68	122.5	171	27.2	-29.7	0	0	0	108.7	R126	R126-P128 WeakPolarHBondContact O-CD 3.45Å
129	K	33.1	Very low	57.9	Low	194 Å²	194	99.7 Å²	99.7	84%	0.843	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-68.6	132	160	-80.8	-176.1	175	-176.8	0	107.2	N127 S131	N127-K129 PolarHBondContact O-N 3.05Å; K129-S131 PolarHBondContact O-N 3.32Å; K129-S131 VanDerWaalsContact O-N 3.12Å
130	P	34	Very low	56	Low	136 Å²	136	111.5 Å²	111.5	88%	0.883	63%	0.634	S	S	*	*			trans	-68.8	111.8	173.2	26.9	-29.8	0	0	0	108.5
131	S	35.4	Very low	54.6	Low	94 Å²	94	116.8 Å²	116.8	66%	0.657	66%	0.658	S	S	*	*			trans	-99	127.6	167.7	52.4	0	0	0	0	109.2	K129 S133	K129-S131 PolarHBondContact O-N 3.32Å; K129-S131 VanDerWaalsContact O-N 3.12Å; S131-S133 VanDerWaalsContact C-N 3.28Å; S131-S133 PolarHBondContact O-N 3.38Å
132	L	47.3	Very low	54	Low	188 Å²	188	123.8 Å²	123.8	98%	0.984	69%	0.692	S	S	*	*	S	Bend	trans	-66.2	84.2	167.7	-79	152.2	0	0	0	109.8
133	S	40.2	Very low	53.9	Low	92 Å²	92	123.8 Å²	123.8	64%	0.643	70%	0.696	S	S	*	*			trans	-173.7	107	159.7	53.4	0	0	0	0	107.2	S131 D135	S131-S133 VanDerWaalsContact C-N 3.28Å; S131-S133 PolarHBondContact O-N 3.38Å; S133-D135 PolarHBondContact O-N 3.37Å; S133-D135 VanDerWaalsContact O-N 3.13Å
134	G	44.8	Very low	54.1	Low	83 Å²	83	121.7 Å²	121.7	86%	0.856	68%	0.684	S	S	*	*			trans	-68.2	105.6	175.9	0	0	0	0	0	110.3
135	D	35	Very low	54.6	Low	151 Å²	151	118.4 Å²	118.4	81%	0.807	66%	0.656	S	S	*	*			trans	-156.8	100.2	153.1	-109.8	-16.2	0	0	0	107.7	S133 V137	S133-D135 PolarHBondContact O-N 3.37Å; S133-D135 VanDerWaalsContact O-N 3.13Å; D135-V137 PolarHBondContact O-N 3.05Å; D135-V137 VanDerWaalsContact O-N 3.11Å
136	Q	36.2	Very low	55.1	Low	196 Å²	196	117.1 Å²	117.1	92%	0.916	65%	0.647	S	S	*	*			trans	-76.4	93.4	174	-90.5	-158	50.2	0	0	109.4
137	V	35.7	Very low	56.2	Low	125 Å²	125	108.6 Å²	108.6	76%	0.758	61%	0.614	S	S	*	*			trans	-94.1	114.9	160.5	-177.2	0	0	0	0	107.7	D135 G139	D135-V137 PolarHBondContact O-N 3.05Å; D135-V137 VanDerWaalsContact O-N 3.11Å; V137-G139 VanDerWaalsContact C-N 3.29Å; V137-G139 PolarHBondContact O-N 3.15Å
138	S	43.5	Very low	57.7	Low	118 Å²	118	102.2 Å²	102.2	83%	0.825	58%	0.581	S	S	*	*			trans	-58.4	86.3	173.3	-80.7	0	0	0	0	111.3	R140	S138-R140 PolarHBondContact O-N 2.86Å
139	G	45.2	Very low	59.7	Low	54 Å²	54	98.4 Å²	98.4	56%	0.557	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-71.3	121.2	178.8	0	0	0	0	0	111.3	V137 H141	V137-G139 VanDerWaalsContact C-N 3.29Å; V137-G139 PolarHBondContact O-N 3.15Å; G139-H141 PolarHBondContact O-N 3.06Å
140	R	53.7	Low	62.2	Low	247 Å²	247	91.5 Å²	91.5	93%	0.932	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-53.2	122.3	170.8	-80.3	178.9	173.6	172.2	-1.5	110.6	S138 M142	S138-R140 PolarHBondContact O-N 2.86Å; R140-M142 PolarHBondContact O-N 2.86Å
141	H	64.1	Low	64.6	Low	133 Å²	133	89.2 Å²	89.2	62%	0.616	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-62.1	116.7	176.4	-67.2	92.5	0	0	0	111.2	G139	G139-H141 PolarHBondContact O-N 3.06Å
142	M	77.6	Confident	67	Low	146 Å²	146	88.2 Å²	88.2	72%	0.719	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-87.7	141.5	178.9	-166	177.2	-81.7	0	0	110.8	R140 H144 A155	R140-M142 PolarHBondContact O-N 2.86Å; M142-H144 PolarHBondContact O-ND1 3.37Å; M142-A155 HydrophobicContact CG-CB 4.43Å; M142-A155 HydrophobicContact SD-CB 3.89Å
143	A	88.3	Confident	69	Low	19 Å²	19	80.4 Å²	80.4	16%	0.157	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-57.9	144.8	173.4	0	0	0	0	0	111.5	I120 C121 H122 A155	I120-A143 HydrophobicContact CD1-CB 3.7Å; I120-A143 HydrophobicContact CG1-CB 3.94Å; C121-A143 WeakPolarHBondContact O-CA 3.48Å; H122-A143 WeakPolarHBondContact CE1-CB 3.45Å; H122-A143 WeakPolarHBondContact ND1-CB 3.39Å; A143-A155 WeakPolarHBondContact O-CA 3.38Å
144	H	92.8	Very high	71.4	Confident	9 Å²	9	77.1 Å²	77.1	4%	0.042	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-151	169	-177.8	58.4	-90.2	0	0	0	112.9	C121 L123 C125 M142 H146 T153 I154	C121-H144 PolarHBondContact N-O 3.26Å; C121-H144 PolarHBondContact O-N 3.18Å; L123-H144 PolarHBondContact O-CE1 3.14Å; C125-H144 WeakPolarHBondContact CB-NE2 3.38Å; M142-H144 PolarHBondContact O-ND1 3.37Å; H144-H146 AromaticContact CD2-CD2 3.83Å; H144-H146 AromaticContact CD2-NE2 3.43Å; H144-H146 PolarHBondContact CD2-NE2 3.17Å; H144-H146 AromaticContact NE2-CD2 3.97Å; H144-H146 AromaticContact NE2-CE1 3.76Å; H144-H146 AromaticContact NE2-NE2 3.12Å; H144-H146 PolarHBondContact NE2-NE2 3.08Å; H144-H146 VanDerWaalsContact NE2-NE2 3.12Å; H144-T153 VanDerWaalsContact CD2-CG2 3.45Å; H144-T153 WeakPolarHBondContact CD2-CG2 3.38Å; H144-I154 CarbonylContact C-O 3.57Å; H144-I154 VanDerWaalsContact CA-O 3.3Å; H144-I154 WeakPolarHBondContact CA-O 3.48Å; H144-I154 WeakPolarHBondContact CB-O 3.32Å
145	F	93	Very high	73.4	Confident	5 Å²	5	74.8 Å²	74.8	2%	0.022	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.5	174.7	-58.9	-85.3	0	0	0	109	V109 V111 M118 I120 T153 I154 K157 M160	V109-F145 HydrophobicContact CG1-CE1 4.38Å; V109-F145 HydrophobicContact CG1-CZ 4.06Å; V111-F145 HydrophobicContact CG2-CD1 4.35Å; V111-F145 HydrophobicContact CG2-CE1 4.45Å; M118-F145 WeakPolarHBondContact O-CD1 3.31Å; I120-F145 HydrophobicContact CB-CD1 4.39Å; I120-F145 HydrophobicContact CB-CE1 3.79Å; I120-F145 HydrophobicContact CB-CZ 4.12Å; I120-F145 HydrophobicContact CD1-CZ 4.25Å; I120-F145 HydrophobicContact CG1-CE1 4.33Å; I120-F145 HydrophobicContact CG1-CZ 4.23Å; F145-T153 CarbonylContact O-C 3.59Å; F145-T153 VanDerWaalsContact O-CA 3.3Å; F145-T153 WeakPolarHBondContact O-CA 3.47Å; F145-I154 WeakPolarHBondContact CD2-O 3.4Å; F145-I154 PolarHBondContact N-O 2.89Å; F145-I154 PolarHBondContact O-N 3.02Å; F145-K157 HydrophobicContact CE2-CB 3.97Å; F145-K157 HydrophobicContact CZ-CB 4.11Å; F145-M160 VanDerWaalsContact C-CE 3.45Å; F145-M160 HydrophobicContact CB-CB 4.4Å; F145-M160 HydrophobicContact CB-CE 3.52Å; F145-M160 HydrophobicContact CB-CG 4.08Å; F145-M160 WeakPolarHBondContact O-CE 3.3Å
146	H	92.3	Very high	75.9	Confident	10 Å²	10	75 Å²	75	5%	0.046	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.1	174.4	-70	-98.6	0	0	0	110.5	H58 S60 I61 M118 C125 H144 V148 T153	H58-H146 HydrophobicContact CB-CB 4.13Å; H58-H146 AromaticContact CD2-CE1 3.48Å; H58-H146 PolarHBondContact CD2-CE1 2.91Å; H58-H146 VanDerWaalsContact CD2-CE1 3.48Å; H58-H146 AromaticContact CD2-ND1 3.9Å; H58-H146 AromaticContact CD2-NE2 3.79Å; H58-H146 AromaticContact CE1-CD2 3.63Å; H58-H146 AromaticContact CE1-CE1 3.76Å; H58-H146 AromaticContact CE1-NE2 3.25Å; H58-H146 PolarHBondContact CE1-NE2 3.38Å; H58-H146 VanDerWaalsContact CE1-NE2 3.25Å; H58-H146 AromaticContact CG-CD2 3.76Å; H58-H146 AromaticContact CG-CE1 3.52Å; H58-H146 AromaticContact CG-CG 3.68Å; H58-H146 AromaticContact CG-ND1 3.55Å; H58-H146 AromaticContact CG-NE2 3.68Å; H58-H146 AromaticContact ND1-CD2 3.27Å; H58-H146 PolarHBondContact ND1-CD2 3.31Å; H58-H146 VanDerWaalsContact ND1-CD2 3.27Å; H58-H146 AromaticContact ND1-CE1 3.69Å; H58-H146 AromaticContact ND1-CG 3.63Å; H58-H146 AromaticContact ND1-ND1 3.89Å; H58-H146 AromaticContact ND1-NE2 3.34Å; H58-H146 PolarHBondContact ND1-NE2 2.89Å; H58-H146 AromaticContact NE2-CE1 3.63Å; H58-H146 AromaticContact NE2-NE2 3.52Å; S60-H146 PolarHBondContact OG-CD2 2.86Å; S60-H146 VanDerWaalsContact OG-CD2 3.3Å; I61-H146 HydrophobicContact CD1-CB 4.07Å; I61-H146 HydrophobicContact CG1-CB 4.27Å; M118-H146 VanDerWaalsContact CE-O 3.27Å; M118-H146 WeakPolarHBondContact CE-O 3.36Å; M118-H146 WeakPolarHBondContact CG-O 3.4Å; C125-H146 WeakPolarHBondContact CB-CE1 3.43Å; H144-H146 AromaticContact CD2-CD2 3.83Å; H144-H146 AromaticContact CD2-NE2 3.43Å; H144-H146 PolarHBondContact CD2-NE2 3.17Å; H144-H146 AromaticContact NE2-CD2 3.97Å; H144-H146 AromaticContact NE2-CE1 3.76Å; H144-H146 AromaticContact NE2-NE2 3.12Å; H144-H146 PolarHBondContact NE2-NE2 3.08Å; H144-H146 VanDerWaalsContact NE2-NE2 3.12Å; H146-V148 PolarHBondContact O-N 2.85Å; H146-T153 VanDerWaalsContact CE1-CG2 3.41Å; H146-T153 WeakPolarHBondContact CE1-CG2 3.43Å
147	C	89.6	Confident	78.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.381	C	S	.	.			trans	-74.7	125	175.7	-173.4	0	0	0	0	110.5	V149 C150 S151 V152 M160 H163	C147-V149 PolarHBondContact O-N 3.39Å; C147-V149 PolarHBondContact SG-N 2.97Å; C147-C150 VanDerWaalsContact SG-SG 3.66Å; C147-S151 WeakPolarHBondContact O-CA 3.34Å; C147-S151 PolarHBondContact O-N 3.45Å; C147-V152 PolarHBondContact N-O 3.4Å; C147-M160 HydrophobicContact CB-CE 4.05Å; C147-M160 HydrophobicContact CB-SD 4.22Å; C147-H163 VanDerWaalsContact SG-CD2 3.55Å; C147-H163 PolarHBondContact SG-NE2 2.91Å
148	V	87.1	Confident	81	Confident	27 Å²	27	68.7 Å²	68.7	16%	0.164	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.1	176.2	68.3	0	0	0	0	113.3	I61 F113 M118 H146	I61-V148 HydrophobicContact CD1-CB 4.18Å; I61-V148 HydrophobicContact CD1-CG2 4.45Å; I61-V148 HydrophobicContact CG2-CB 4.31Å; I61-V148 HydrophobicContact CG2-CG2 4.01Å; F113-V148 HydrophobicContact CD1-CG1 3.81Å; M118-V148 HydrophobicContact CG-CB 4.49Å; M118-V148 HydrophobicContact SD-CG1 4.35Å; H146-V148 PolarHBondContact O-N 2.85Å
149	V	85.1	Confident	83.2	Confident	40 Å²	40	65.7 Å²	65.7	24%	0.242	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-43.1	-176.4	-178.3	0	0	0	0	112.4	F113 C147 L164 H167 E172 T173	F113-V149 HydrophobicContact CD1-CG2 4.43Å; F113-V149 HydrophobicContact CE1-CG2 3.89Å; C147-V149 PolarHBondContact O-N 3.39Å; C147-V149 PolarHBondContact SG-N 2.97Å; V149-L164 HydrophobicContact CG2-CD2 4.45Å; V149-H167 HydrophobicContact CB-CB 4.36Å; V149-H167 HydrophobicContact CG1-CB 4.11Å; V149-H167 WeakPolarHBondContact CG1-ND1 3.29Å; V149-H167 HydrophobicContact CG2-CB 4.27Å; V149-E172 WeakPolarHBondContact CG1-O 3.45Å; V149-T173 HydrophobicContact CG1-CG2 3.66Å; V149-T173 HydrophobicContact CG2-CG2 4.35Å
150	C	85.8	Confident	85.4	Confident	48 Å²	48	63.1 Å²	63.1	32%	0.324	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	6.4	-174	70.7	0	0	0	0	114.6	C147 V152 H163 H167	C147-C150 VanDerWaalsContact SG-SG 3.66Å; C150-V152 PolarHBondContact O-N 3.3Å; C150-V152 VanDerWaalsContact SG-CG2 3.55Å; C150-H163 VanDerWaalsContact SG-CE1 3.57Å; C150-H163 PolarHBondContact SG-NE2 3.04Å; C150-H167 PolarHBondContact SG-NE2 3.31Å
151	S	84.2	Confident	87	Confident	88 Å²	88	54.5 Å²	54.5	62%	0.615	29%	0.293	S	S	*	.			trans	62	4	178.6	-54.7	0	0	0	0	116.5	C147	C147-S151 WeakPolarHBondContact O-CA 3.34Å; C147-S151 PolarHBondContact O-N 3.45Å
152	V	86.7	Confident	88	Confident	73 Å²	73	51 Å²	51	44%	0.442	28%	0.283	S	S	.	.			trans	-65.5	143.6	176.3	173.6	0	0	0	0	111.7	C147 C150 I154	C147-V152 PolarHBondContact N-O 3.4Å; C150-V152 PolarHBondContact O-N 3.3Å; C150-V152 VanDerWaalsContact SG-CG2 3.55Å; V152-I154 HydrophobicContact CG1-CG1 4.22Å
153	T	89.3	Confident	88.5	Confident	25 Å²	25	45.1 Å²	45.1	15%	0.153	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.6	174.2	56.1	0	0	0	0	112.2	C125 H144 F145 H146	C125-T153 HydrophobicContact CB-CG2 4.4Å; H144-T153 VanDerWaalsContact CD2-CG2 3.45Å; H144-T153 WeakPolarHBondContact CD2-CG2 3.38Å; F145-T153 CarbonylContact O-C 3.59Å; F145-T153 VanDerWaalsContact O-CA 3.3Å; F145-T153 WeakPolarHBondContact O-CA 3.47Å; H146-T153 VanDerWaalsContact CE1-CG2 3.41Å; H146-T153 WeakPolarHBondContact CE1-CG2 3.43Å
154	I	89.3	Confident	88.4	Confident	22 Å²	22	44.6 Å²	44.6	11%	0.113	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	128	-178.2	-55.2	-177.1	0	0	0	110.2	H144 F145 V152 D159 M160 H163	H144-I154 CarbonylContact C-O 3.57Å; H144-I154 VanDerWaalsContact CA-O 3.3Å; H144-I154 WeakPolarHBondContact CA-O 3.48Å; H144-I154 WeakPolarHBondContact CB-O 3.32Å; F145-I154 WeakPolarHBondContact CD2-O 3.4Å; F145-I154 PolarHBondContact N-O 2.89Å; F145-I154 PolarHBondContact O-N 3.02Å; V152-I154 HydrophobicContact CG1-CG1 4.22Å; I154-D159 HydrophobicContact CG2-CB 3.6Å; I154-M160 HydrophobicContact CB-CB 4.35Å; I154-M160 HydrophobicContact CB-CE 3.82Å; I154-M160 HydrophobicContact CD1-CE 3.93Å; I154-M160 HydrophobicContact CD1-SD 3.81Å; I154-M160 HydrophobicContact CG1-CE 3.86Å; I154-M160 HydrophobicContact CG1-SD 4.39Å; I154-M160 HydrophobicContact CG2-CB 4.29Å; I154-H163 HydrophobicContact CD1-CB 3.38Å; I154-H163 VanDerWaalsContact CD1-CD2 3.47Å; I154-H163 WeakPolarHBondContact CD1-CD2 3.36Å
155	A	87.6	Confident	87.9	Confident	34 Å²	34	50.5 Å²	50.5	28%	0.281	27%	0.274	S	S	.	.	S	Bend	trans	-72	-39.2	-171.5	0	0	0	0	0	114.2	M142 A143	M142-A155 HydrophobicContact CG-CB 4.43Å; M142-A155 HydrophobicContact SD-CB 3.89Å; A143-A155 WeakPolarHBondContact O-CA 3.38Å
156	R	87.9	Confident	87.4	Confident	156 Å²	156	57 Å²	57	59%	0.589	30%	0.298	S	S	*	.			trans	-104.9	139.6	-173.4	-64.6	-173.8	-66.8	-169.4	-1	112.1	T158 D159 M160	R156-T158 PolarHBondContact O-N 3.3Å; R156-D159 HydrophobicContact CB-CB 4.2Å; R156-D159 IonicContact CZ-OD2 3.78Å; R156-D159 VanDerWaalsContact CZ-OD2 3.25Å; R156-D159 IonicContact NE-OD1 3.63Å; R156-D159 IonicContact NE-OD2 2.98Å; R156-D159 PolarHBondContact NE-OD2 3.33Å; R156-D159 IonicContact NH2-OD1 2.79Å; R156-D159 IonicContact NH2-OD2 3.29Å; R156-D159 PolarHBondContact NH2-OD2 3.22Å; R156-D159 PolarHBondContact O-N 3.12Å; R156-M160 PolarHBondContact O-N 3.45Å
157	K	89.5	Confident	86.8	Confident	94 Å²	94	57.4 Å²	57.4	41%	0.409	30%	0.3	S	S	.	.	H	α-helix	trans	-58	-44.3	177.9	-179.2	167.1	175.5	162.9	0	112.5	Y110 V111 F145 D159 M160 I161	Y110-K157 WeakPolarHBondContact O-CE 3.22Å; Y110-K157 PolarHBondContact O-NZ 3.3Å; V111-K157 HydrophobicContact CG2-CD 4.4Å; V111-K157 HydrophobicContact CG2-CG 3.72Å; F145-K157 HydrophobicContact CE2-CB 3.97Å; F145-K157 HydrophobicContact CZ-CB 4.11Å; K157-D159 VanDerWaalsContact C-N 3.3Å; K157-D159 PolarHBondContact O-N 3.18Å; K157-M160 PolarHBondContact O-N 3.29Å; K157-I161 HydrophobicContact CG-CD1 4.11Å; K157-I161 WeakPolarHBondContact O-CG1 3.4Å; K157-I161 PolarHBondContact O-N 2.9Å
158	T	88.9	Confident	85.7	Confident	95 Å²	95	63.8 Å²	63.8	58%	0.583	33%	0.328	S	S	*	.	H	α-helix	trans	-60.5	-39.8	177.4	50.7	0	0	0	0	112.3	R156 I161 S162	R156-T158 PolarHBondContact O-N 3.3Å; T158-I161 PolarHBondContact O-N 3.43Å; T158-S162 PolarHBondContact O-N 3.41Å
159	D	89.4	Confident	84.5	Confident	54 Å²	54	68.3 Å²	68.3	29%	0.289	35%	0.352	S	S	.	.	H	α-helix	trans	-72.7	-36.6	-178.9	-61.9	-5.6	0	0	0	110.5	I154 R156 K157 S162 H163	I154-D159 HydrophobicContact CG2-CB 3.6Å; R156-D159 HydrophobicContact CB-CB 4.2Å; R156-D159 IonicContact CZ-OD2 3.78Å; R156-D159 VanDerWaalsContact CZ-OD2 3.25Å; R156-D159 IonicContact NE-OD1 3.63Å; R156-D159 IonicContact NE-OD2 2.98Å; R156-D159 PolarHBondContact NE-OD2 3.33Å; R156-D159 IonicContact NH2-OD1 2.79Å; R156-D159 IonicContact NH2-OD2 3.29Å; R156-D159 PolarHBondContact NH2-OD2 3.22Å; R156-D159 PolarHBondContact O-N 3.12Å; K157-D159 VanDerWaalsContact C-N 3.3Å; K157-D159 PolarHBondContact O-N 3.18Å; D159-S162 PolarHBondContact O-N 2.85Å; D159-H163 WeakPolarHBondContact O-CB 3.22Å; D159-H163 PolarHBondContact O-N 3Å
160	M	90.5	Very high	83.3	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-65.7	-41	173.5	-178.2	56.2	88.4	0	0	111.6	V111 M118 F145 C147 I154 R156 K157 H163 L164	V111-M160 HydrophobicContact CB-CG 4.22Å; V111-M160 HydrophobicContact CG1-CG 4.18Å; V111-M160 HydrophobicContact CG2-CB 4.19Å; V111-M160 HydrophobicContact CG2-CG 4Å; M118-M160 HydrophobicContact CE-CE 3.92Å; M118-M160 HydrophobicContact CE-CG 3.73Å; M118-M160 HydrophobicContact CE-SD 3.41Å; M118-M160 WeakPolarHBondContact CE-SD 3.32Å; F145-M160 VanDerWaalsContact C-CE 3.45Å; F145-M160 HydrophobicContact CB-CB 4.4Å; F145-M160 HydrophobicContact CB-CE 3.52Å; F145-M160 HydrophobicContact CB-CG 4.08Å; F145-M160 WeakPolarHBondContact O-CE 3.3Å; C147-M160 HydrophobicContact CB-CE 4.05Å; C147-M160 HydrophobicContact CB-SD 4.22Å; I154-M160 HydrophobicContact CB-CB 4.35Å; I154-M160 HydrophobicContact CB-CE 3.82Å; I154-M160 HydrophobicContact CD1-CE 3.93Å; I154-M160 HydrophobicContact CD1-SD 3.81Å; I154-M160 HydrophobicContact CG1-CE 3.86Å; I154-M160 HydrophobicContact CG1-SD 4.39Å; I154-M160 HydrophobicContact CG2-CB 4.29Å; R156-M160 PolarHBondContact O-N 3.45Å; K157-M160 PolarHBondContact O-N 3.29Å; M160-H163 PolarHBondContact O-N 3.44Å; M160-L164 WeakPolarHBondContact O-CG 3.37Å; M160-L164 PolarHBondContact O-N 3.16Å; M160-L164 HydrophobicContact SD-CG 4.33Å
161	I	88.4	Confident	81.6	Confident	66 Å²	66	71.2 Å²	71.2	34%	0.338	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-46	173.9	-66.5	164.5	0	0	0	110.8	V111 K157 T158 H163 L164 K165	V111-I161 HydrophobicContact CG1-CG1 3.96Å; V111-I161 HydrophobicContact CG2-CG1 4.37Å; K157-I161 HydrophobicContact CG-CD1 4.11Å; K157-I161 WeakPolarHBondContact O-CG1 3.4Å; K157-I161 PolarHBondContact O-N 2.9Å; T158-I161 PolarHBondContact O-N 3.43Å; I161-H163 VanDerWaalsContact C-N 3.3Å; I161-H163 PolarHBondContact O-N 3.22Å; I161-L164 PolarHBondContact O-N 3.04Å; I161-K165 HydrophobicContact CG2-CD 4.46Å; I161-K165 WeakPolarHBondContact O-CG 3.47Å; I161-K165 PolarHBondContact O-N 3.4Å
162	S	84.7	Confident	79.6	Confident	59 Å²	59	72 Å²	72	41%	0.413	36%	0.358	S	S	.	.	H	α-helix	trans	-62.2	-38.6	175.4	-176.7	0	0	0	0	112.1	T158 D159 K165 R166	T158-S162 PolarHBondContact O-N 3.41Å; D159-S162 PolarHBondContact O-N 2.85Å; S162-K165 PolarHBondContact O-N 3.33Å; S162-R166 WeakPolarHBondContact O-CG 3.28Å; S162-R166 PolarHBondContact O-N 3.02Å
163	H	88.1	Confident	77.4	Confident	24 Å²	24	72.3 Å²	72.3	11%	0.111	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-44.4	176.4	175.8	84.9	0	0	0	112.9	C147 C150 I154 D159 M160 I161 K165 R166 H167	C147-H163 VanDerWaalsContact SG-CD2 3.55Å; C147-H163 PolarHBondContact SG-NE2 2.91Å; C150-H163 VanDerWaalsContact SG-CE1 3.57Å; C150-H163 PolarHBondContact SG-NE2 3.04Å; I154-H163 HydrophobicContact CD1-CB 3.38Å; I154-H163 VanDerWaalsContact CD1-CD2 3.47Å; I154-H163 WeakPolarHBondContact CD1-CD2 3.36Å; D159-H163 WeakPolarHBondContact O-CB 3.22Å; D159-H163 PolarHBondContact O-N 3Å; M160-H163 PolarHBondContact O-N 3.44Å; I161-H163 VanDerWaalsContact C-N 3.3Å; I161-H163 PolarHBondContact O-N 3.22Å; H163-K165 VanDerWaalsContact C-N 3.35Å; H163-K165 PolarHBondContact O-N 3.25Å; H163-R166 WeakPolarHBondContact O-CA 3.49Å; H163-R166 WeakPolarHBondContact O-CB 3.44Å; H163-R166 PolarHBondContact O-N 3.32Å; H163-R166 VanDerWaalsContact O-N 3.08Å; H163-H167 AromaticContact CD2-CD2 3.74Å; H163-H167 AromaticContact CD2-NE2 3.89Å; H163-H167 AromaticContact CE1-CD2 3.89Å; H163-H167 AromaticContact CE1-NE2 3.33Å; H163-H167 PolarHBondContact CE1-NE2 3.44Å; H163-H167 VanDerWaalsContact CE1-NE2 3.33Å; H163-H167 AromaticContact NE2-CD2 3.43Å; H163-H167 PolarHBondContact NE2-CD2 3.31Å; H163-H167 AromaticContact NE2-NE2 3.09Å; H163-H167 PolarHBondContact NE2-NE2 2.71Å; H163-H167 PolarHBondContact O-N 3.09Å
164	L	86.8	Confident	74.7	Confident	7 Å²	7	80.2 Å²	80.2	4%	0.037	40%	0.396	C	S	.	.	H	α-helix	trans	-63.4	-39.7	173	-72.9	171.7	0	0	0	112.2	V111 F113 M118 V149 M160 I161 R166 H167 F168	V111-L164 HydrophobicContact CG1-CD1 3.54Å; F113-L164 HydrophobicContact CB-CD1 3.86Å; F113-L164 HydrophobicContact CB-CD2 4.29Å; F113-L164 HydrophobicContact CD1-CD2 4.16Å; F113-L164 HydrophobicContact CD2-CB 4.34Å; F113-L164 HydrophobicContact CD2-CD1 4.25Å; F113-L164 HydrophobicContact CD2-CD2 4.24Å; F113-L164 HydrophobicContact CG-CD1 4.19Å; F113-L164 HydrophobicContact CG-CD2 3.97Å; M118-L164 HydrophobicContact CE-CD1 3.78Å; M118-L164 HydrophobicContact CE-CD2 3.86Å; M118-L164 HydrophobicContact CE-CG 4.04Å; M118-L164 HydrophobicContact SD-CD1 4Å; M118-L164 HydrophobicContact SD-CD2 4.5Å; V149-L164 HydrophobicContact CG2-CD2 4.45Å; M160-L164 WeakPolarHBondContact O-CG 3.37Å; M160-L164 PolarHBondContact O-N 3.16Å; M160-L164 HydrophobicContact SD-CG 4.33Å; I161-L164 PolarHBondContact O-N 3.04Å; L164-R166 PolarHBondContact O-N 3.36Å; L164-H167 PolarHBondContact O-N 2.81Å; L164-F168 WeakPolarHBondContact O-CB 3.47Å; L164-F168 PolarHBondContact O-N 3.16Å
165	K	81.9	Confident	71.9	Confident	134 Å²	134	83.1 Å²	83.1	58%	0.583	42%	0.423	S	S	*	.	H	α-helix	trans	-58.6	-35.3	172	-75.2	179.4	179.3	-173.1	0	111.6	I161 S162 H163 F168 N169	I161-K165 HydrophobicContact CG2-CD 4.46Å; I161-K165 WeakPolarHBondContact O-CG 3.47Å; I161-K165 PolarHBondContact O-N 3.4Å; S162-K165 PolarHBondContact O-N 3.33Å; H163-K165 VanDerWaalsContact C-N 3.35Å; H163-K165 PolarHBondContact O-N 3.25Å; K165-F168 PolarHBondContact O-N 3.44Å; K165-N169 VanDerWaalsContact O-CB 3.28Å; K165-N169 WeakPolarHBondContact O-CB 3.47Å; K165-N169 PolarHBondContact O-N 2.8Å; K165-N169 PolarHBondContact O-ND2 2.91Å; K165-N169 PolarHBondContact O-OD1 2.83Å
166	R	82.1	Confident	69.1	Low	140 Å²	140	87.3 Å²	87.3	53%	0.528	45%	0.45	S	S	.	.	H	α-helix	trans	-67.1	-41.1	172.1	-71.3	-177.7	-68.4	-157.5	-3.1	112.2	S162 H163 L164 N169 K170	S162-R166 WeakPolarHBondContact O-CG 3.28Å; S162-R166 PolarHBondContact O-N 3.02Å; H163-R166 WeakPolarHBondContact O-CA 3.49Å; H163-R166 WeakPolarHBondContact O-CB 3.44Å; H163-R166 PolarHBondContact O-N 3.32Å; H163-R166 VanDerWaalsContact O-N 3.08Å; L164-R166 PolarHBondContact O-N 3.36Å; R166-N169 PolarHBondContact O-N 2.85Å; R166-K170 WeakPolarHBondContact O-CB 3.12Å; R166-K170 VanDerWaalsContact O-CG 3.25Å; R166-K170 WeakPolarHBondContact O-CG 3.28Å; R166-K170 PolarHBondContact O-N 3.22Å
167	H	80.2	Confident	66.3	Low	19 Å²	19	89.9 Å²	89.9	9%	0.088	46%	0.461	C	S	.	.	H	α-helix	trans	-63.7	-40.9	173.5	-79.4	-63.8	0	0	0	112.6	V149 C150 H163 L164 K170 G171 E172	V149-H167 HydrophobicContact CB-CB 4.36Å; V149-H167 HydrophobicContact CG1-CB 4.11Å; V149-H167 WeakPolarHBondContact CG1-ND1 3.29Å; V149-H167 HydrophobicContact CG2-CB 4.27Å; C150-H167 PolarHBondContact SG-NE2 3.31Å; H163-H167 AromaticContact CD2-CD2 3.74Å; H163-H167 AromaticContact CD2-NE2 3.89Å; H163-H167 AromaticContact CE1-CD2 3.89Å; H163-H167 AromaticContact CE1-NE2 3.33Å; H163-H167 PolarHBondContact CE1-NE2 3.44Å; H163-H167 VanDerWaalsContact CE1-NE2 3.33Å; H163-H167 AromaticContact NE2-CD2 3.43Å; H163-H167 PolarHBondContact NE2-CD2 3.31Å; H163-H167 AromaticContact NE2-NE2 3.09Å; H163-H167 PolarHBondContact NE2-NE2 2.71Å; H163-H167 PolarHBondContact O-N 3.09Å; L164-H167 PolarHBondContact O-N 2.81Å; H167-K170 CarbonylContact O-C 3.54Å; H167-K170 PolarHBondContact O-N 2.97Å; H167-G171 PolarHBondContact O-N 3.39Å; H167-E172 IonicContact CE1-OE2 3.65Å; H167-E172 IonicContact ND1-OE2 3.68Å
168	F	66.1	Low	63.8	Low	135 Å²	135	91.8 Å²	91.8	59%	0.592	48%	0.483	S	S	*	.	H	α-helix	trans	-62.3	-48.7	176	-172.6	-98	0	0	0	111.4	F113 L164 K165 K170 G171	F113-F168 HydrophobicContact CE2-CD2 4.49Å; L164-F168 WeakPolarHBondContact O-CB 3.47Å; L164-F168 PolarHBondContact O-N 3.16Å; K165-F168 PolarHBondContact O-N 3.44Å; F168-K170 VanDerWaalsContact C-N 3.32Å; F168-K170 PolarHBondContact O-N 2.71Å; F168-G171 PolarHBondContact O-N 3.14Å
169	N	62.8	Low	60.9	Low	122 Å²	122	90.7 Å²	90.7	65%	0.652	49%	0.491	S	S	*	.	H	α-helix	trans	-71.9	-25.7	178.7	-65	-8.7	0	0	0	112.9	K165 R166	K165-N169 VanDerWaalsContact O-CB 3.28Å; K165-N169 WeakPolarHBondContact O-CB 3.47Å; K165-N169 PolarHBondContact O-N 2.8Å; K165-N169 PolarHBondContact O-ND2 2.91Å; K165-N169 PolarHBondContact O-OD1 2.83Å; R166-N169 PolarHBondContact O-N 2.85Å
170	K	58.2	Low	58	Low	117 Å²	117	92.1 Å²	92.1	51%	0.509	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-1.4	176.3	-78.2	-175.8	163.1	-158.3	0	113.8	R166 H167 F168 E172 K216	R166-K170 WeakPolarHBondContact O-CB 3.12Å; R166-K170 VanDerWaalsContact O-CG 3.25Å; R166-K170 WeakPolarHBondContact O-CG 3.28Å; R166-K170 PolarHBondContact O-N 3.22Å; H167-K170 CarbonylContact O-C 3.54Å; H167-K170 PolarHBondContact O-N 2.97Å; F168-K170 VanDerWaalsContact C-N 3.32Å; F168-K170 PolarHBondContact O-N 2.71Å; K170-E172 HydrophobicContact CB-CG 4.33Å; K170-E172 PolarHBondContact O-N 3.09Å; K170-K216 WeakPolarHBondContact O-CE 3.4Å; K170-K216 PolarHBondContact O-NZ 2.91Å
171	G	50.1	Low	55	Low	32 Å²	32	97.5 Å²	97.5	33%	0.33	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	41	39.4	178.8	0	0	0	0	0	114.5	H167 F168 T173 K216	H167-G171 PolarHBondContact O-N 3.39Å; F168-G171 PolarHBondContact O-N 3.14Å; G171-T173 VanDerWaalsContact C-N 3.32Å; G171-T173 PolarHBondContact O-N 2.96Å; G171-K216 VanDerWaalsContact C-NZ 3.26Å; G171-K216 VanDerWaalsContact CA-CE 3.45Å; G171-K216 PolarHBondContact O-NZ 2.97Å
172	E	44	Very low	52.2	Low	103 Å²	103	102.5 Å²	102.5	48%	0.481	58%	0.584	S	S	.	*			trans	-92.3	69.2	175.4	-77.5	170.2	-167.8	0	0	107.7	V149 H167 K170	V149-E172 WeakPolarHBondContact CG1-O 3.45Å; H167-E172 IonicContact CE1-OE2 3.65Å; H167-E172 IonicContact ND1-OE2 3.68Å; K170-E172 HydrophobicContact CB-CG 4.33Å; K170-E172 PolarHBondContact O-N 3.09Å
173	T	40	Very low	49.6	Very low	81 Å²	81	104 Å²	104	50%	0.497	60%	0.6	S	S	.	*			trans	-156	78	157.1	52.2	0	0	0	0	107.7	V149 G171	V149-T173 HydrophobicContact CG1-CG2 3.66Å; V149-T173 HydrophobicContact CG2-CG2 4.35Å; G171-T173 VanDerWaalsContact C-N 3.32Å; G171-T173 PolarHBondContact O-N 2.96Å
174	E	32.9	Very low	47.1	Very low	191 Å²	191	111.6 Å²	111.6	89%	0.893	64%	0.635	S	S	*	*				-154.4	116.1	129.8	-73	-146.4	157.3	0	0	106.1
175	A	29.5	Very low	44.2	Very low	83 Å²	83	119 Å²	119	69%	0.686	67%	0.671	S	S	*	*			trans	-75.5	127	172.1	0	0	0	0	0	107.7	Y177	A175-Y177 HydrophobicContact CB-CE2 4.46Å; A175-Y177 PolarHBondContact O-N 2.75Å
176	S	29.3	Very low	42	Very low	121 Å²	121	120 Å²	120	85%	0.846	68%	0.684	S	S	*	*			trans	-58.4	122.2	171.3	-53	0	0	0	0	110.4
177	Y	28.9	Very low	39.3	Very low	210 Å²	210	120.8 Å²	120.8	82%	0.824	69%	0.693	S	S	*	*			trans	-125.6	128.7	155.4	-75.9	-79	0	0	0	107.8	A175 G179	A175-Y177 HydrophobicContact CB-CE2 4.46Å; A175-Y177 PolarHBondContact O-N 2.75Å; Y177-G179 PolarHBondContact O-N 2.93Å
178	P	37.6	Very low	37.2	Very low	134 Å²	134	125 Å²	125	87%	0.87	72%	0.722	S	S	*	*			trans	-80.9	113.7	166.5	31	-25.1	0	0	0	107.8
179	G	27.1	Very low	35.5	Very low	72 Å²	72	122.1 Å²	122.1	74%	0.742	72%	0.723	S	S	*	*			trans	-134.8	111.7	169.6	0	0	0	0	0	107.8	Y177	Y177-G179 PolarHBondContact O-N 2.93Å
180	G	28.8	Very low	34.2	Very low	84 Å²	84	122.2 Å²	122.2	87%	0.866	73%	0.731	S	S	*	*			trans	-73.8	142.6	179.6	0	0	0	0	0	112.2
181	S	28	Very low	33.5	Very low	114 Å²	114	122.7 Å²	122.7	80%	0.797	75%	0.749	S	S	*	*			trans	-162.5	122.3	143.4	53.4	0	0	0	0	108	A183	S181-A183 PolarHBondContact O-N 3.01Å
182	D	29.7	Very low	33.1	Very low	171 Å²	171	124.6 Å²	124.6	91%	0.914	77%	0.768	S	S	*	*			trans	-44.5	123.4	160.5	-85	-43.2	0	0	0	110.8
183	A	28.9	Very low	33.6	Very low	91 Å²	91	125.9 Å²	125.9	75%	0.752	77%	0.774	S	S	*	*			trans	-157.6	101.8	151.8	0	0	0	0	0	108.2	S181 M185	S181-A183 PolarHBondContact O-N 3.01Å; A183-M185 PolarHBondContact O-N 2.7Å
184	Q	35.8	Very low	34.8	Very low	183 Å²	183	125.6 Å²	125.6	86%	0.855	78%	0.78	S	S	*	*			trans	-56.7	119.4	165.3	-168.6	177	0.2	0	0	109.3
185	M	25.7	Very low	37	Very low	161 Å²	161	121.1 Å²	121.1	79%	0.793	76%	0.756	S	S	*	*			trans	-146.7	104.2	152.7	-79.6	-133.8	98.8	0	0	109.1	A183 E187	A183-M185 PolarHBondContact O-N 2.7Å; M185-E187 PolarHBondContact O-N 3.44Å
186	D	36.3	Very low	39.7	Very low	157 Å²	157	121.1 Å²	121.1	84%	0.84	74%	0.741	S	S	*	*			trans	-58.3	106.5	146.3	-81.2	-52.1	0	0	0	107.4
187	E	26	Very low	42.5	Very low	156 Å²	156	120.4 Å²	120.4	73%	0.729	73%	0.727	S	S	*	*			trans	-126.1	124.9	165	-108.7	-92.4	120.2	0	0	107.3	M185	M185-E187 PolarHBondContact O-N 3.44Å
188	P	34.7	Very low	45.5	Very low	107 Å²	107	111.6 Å²	111.6	70%	0.695	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-62.7	139.5	179.4	-12.9	26.3	0	0	0	109.9
189	A	30.5	Very low	48.1	Very low	75 Å²	75	112.2 Å²	112.2	62%	0.62	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-47.6	138.6	172.8	0	0	0	0	0	110.9	S191	A189-S191 PolarHBondContact O-N 2.89Å
190	P	36.5	Very low	51.1	Low	124 Å²	124	109.6 Å²	109.6	81%	0.805	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-57.7	117.4	-179	21.6	-30.5	0	0	0	109.5	G192	P190-G192 PolarHBondContact O-N 2.99Å; P190-G192 VanDerWaalsContact O-N 3.08Å
191	S	42.4	Very low	54	Low	127 Å²	127	107.5 Å²	107.5	89%	0.888	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	105.5	175.9	38.3	0	0	0	0	109.6	A189	A189-S191 PolarHBondContact O-N 2.89Å
192	G	43	Very low	56.8	Low	71 Å²	71	103.6 Å²	103.6	73%	0.732	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	154.9	3.8	171.8	0	0	0	0	0	118.4	P190 A194	P190-G192 PolarHBondContact O-N 2.99Å; P190-G192 VanDerWaalsContact O-N 3.08Å; G192-A194 PolarHBondContact O-N 3.23Å
193	Q	54.8	Low	59.8	Low	130 Å²	130	95.5 Å²	95.5	61%	0.607	56%	0.555	S	S	*	*			trans	-69.9	104.7	168.7	-93.5	175.3	-20.4	0	0	109.4	Y195	Q193-Y195 HydrophobicContact CB-CE2 4.14Å; Q193-Y195 WeakPolarHBondContact O-CD2 3.17Å; Q193-Y195 WeakPolarHBondContact O-CE2 3.48Å; Q193-Y195 PolarHBondContact O-N 3Å; Q193-Y195 VanDerWaalsContact O-N 3.1Å
194	A	63.9	Low	62.9	Low	76 Å²	76	93.5 Å²	93.5	63%	0.628	53%	0.531	S	S	*	.			trans	-65.7	107.8	174.9	0	0	0	0	0	109.4	G192 P209	G192-A194 PolarHBondContact O-N 3.23Å; A194-P209 WeakPolarHBondContact O-CD 3.34Å; A194-P209 WeakPolarHBondContact O-CG 3.4Å
195	Y	79.4	Confident	65.6	Low	96 Å²	96	84.8 Å²	84.8	38%	0.376	49%	0.491	S	S	.	.			trans	-84.6	137.8	172.8	-66.7	-84.2	0	0	0	110.2	Q193 Q206 L207 L208 M284	Q193-Y195 HydrophobicContact CB-CE2 4.14Å; Q193-Y195 WeakPolarHBondContact O-CD2 3.17Å; Q193-Y195 WeakPolarHBondContact O-CE2 3.48Å; Q193-Y195 PolarHBondContact O-N 3Å; Q193-Y195 VanDerWaalsContact O-N 3.1Å; Y195-Q206 HydrophobicContact CD1-CB 4.3Å; Y195-L207 WeakPolarHBondContact CA-O 3.49Å; Y195-L208 HydrophobicContact CD1-CD2 4.15Å; Y195-L208 HydrophobicContact CE1-CD2 3.52Å; Y195-L208 HydrophobicContact CE1-CG 4.15Å; Y195-M284 HydrophobicContact CE1-CE 4.19Å
196	E	86.4	Confident	68.7	Low	83 Å²	83	78.9 Å²	78.9	39%	0.388	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.7	166.9	-171.7	-173.6	178.4	0	0	108.6	Q206 L207 R223	E196-Q206 CarbonylContact O-C 3.58Å; E196-L207 PolarHBondContact N-O 2.87Å; E196-L207 PolarHBondContact O-N 2.89Å; E196-R223 IonicContact OE1-CZ 2.72Å; E196-R223 IonicContact OE1-NH2 3.59Å; E196-R223 PolarHBondContact OE1-NH2 2.9Å; E196-R223 IonicContact OE2-NH2 3.69Å; E196-R223 PolarHBondContact OE2-NH2 3.13Å
197	I	88.8	Confident	71.2	Confident	106 Å²	106	71.4 Å²	71.4	54%	0.544	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	115.2	171.2	-60	176.8	0	0	0	108.4	N204 Q206	I197-N204 HydrophobicContact CG2-CB 4.11Å; I197-Q206 HydrophobicContact CG1-CG 4.22Å
198	L	90.3	Very high	73.9	Confident	25 Å²	25	64.5 Å²	64.5	13%	0.131	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.3	171.6	-176.4	74.1	0	0	0	110.1	N204 V205 L207 F221	L198-N204 CarbonylContact O-C 3.57Å; L198-N204 WeakPolarHBondContact O-CA 3.4Å; L198-V205 HydrophobicContact CB-CG2 4.2Å; L198-V205 PolarHBondContact N-O 2.77Å; L198-V205 PolarHBondContact O-N 2.88Å; L198-L207 HydrophobicContact CB-CD1 3.69Å; L198-L207 HydrophobicContact CB-CG 4.3Å; L198-L207 HydrophobicContact CD2-CD1 3.99Å; L198-L207 HydrophobicContact CG-CD1 4.44Å; L198-F221 HydrophobicContact CD2-CD1 4.12Å; L198-F221 HydrophobicContact CD2-CE1 3.17Å; L198-F221 HydrophobicContact CD2-CE2 4.06Å; L198-F221 HydrophobicContact CD2-CZ 3.14Å
199	K	92.3	Very high	75.9	Confident	148 Å²	148	64 Å²	64	64%	0.643	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.5	171.7	-172.4	173.1	-178	179.5	0	110.4	T203 N204	K199-T203 WeakPolarHBondContact CA-O 3.37Å; K199-N204 WeakPolarHBondContact CG-OD1 3.46Å
200	E	91.8	Very high	78.2	Confident	16 Å²	16	62.9 Å²	62.9	8%	0.075	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.2	174	-171.5	179.4	106.6	0	0	110.5	G202 T203 K226 R229 I257 Q261	E200-G202 PolarHBondContact O-N 3.33Å; E200-T203 PolarHBondContact N-O 3.25Å; E200-T203 WeakPolarHBondContact O-CB 3.33Å; E200-T203 PolarHBondContact O-N 2.99Å; E200-K226 HydrophobicContact CG-CG 4.46Å; E200-R229 IonicContact OE1-CZ 3.96Å; E200-R229 IonicContact OE1-NE 2.68Å; E200-R229 PolarHBondContact OE1-NE 2.98Å; E200-R229 IonicContact OE1-NH2 3.42Å; E200-R229 PolarHBondContact OE1-NH2 3.39Å; E200-R229 IonicContact OE2-CZ 2.77Å; E200-R229 IonicContact OE2-NE 3.29Å; E200-R229 IonicContact OE2-NH2 3.63Å; E200-R229 PolarHBondContact OE2-NH2 2.94Å; E200-I257 HydrophobicContact CB-CD1 4.26Å; E200-Q261 PolarHBondContact O-NE2 2.86Å; E200-Q261 PolarHBondContact OE1-NE2 3.02Å
201	L	89.4	Confident	80	Confident	40 Å²	40	57.5 Å²	57.5	21%	0.209	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	39.4	-175.5	-161.8	75	0	0	0	112.2	T203 F233 Q261 H265 M519	L201-T203 PolarHBondContact O-N 3.1Å; L201-T203 VanDerWaalsContact O-N 3.16Å; L201-F233 HydrophobicContact CD2-CD2 4.45Å; L201-F233 HydrophobicContact CD2-CE2 4.46Å; L201-Q261 HydrophobicContact CB-CG 4.46Å; L201-Q261 HydrophobicContact CD2-CG 4.45Å; L201-H265 PolarHBondContact O-CE1 3.3Å; L201-H265 PolarHBondContact O-NE2 3.25Å; L201-M519 HydrophobicContact CD1-CE 3.87Å; L201-M519 HydrophobicContact CD1-CG 3.96Å; L201-M519 HydrophobicContact CD2-CE 3.39Å; L201-M519 HydrophobicContact CG-CE 4.28Å
202	G	87	Confident	81.3	Confident	33 Å²	33	54.7 Å²	54.7	34%	0.34	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	0.6	-177.5	0	0	0	0	0	115.4	E200 K264	E200-G202 PolarHBondContact O-N 3.33Å; G202-K264 PolarHBondContact O-NZ 2.84Å
203	T	93	Very high	82.7	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.6	173.1	-57.7	0	0	0	0	109.7	K199 E200 L201 V205 I257 L260 Q261 N292	K199-T203 WeakPolarHBondContact CA-O 3.37Å; E200-T203 PolarHBondContact N-O 3.25Å; E200-T203 WeakPolarHBondContact O-CB 3.33Å; E200-T203 PolarHBondContact O-N 2.99Å; L201-T203 PolarHBondContact O-N 3.1Å; L201-T203 VanDerWaalsContact O-N 3.16Å; T203-V205 HydrophobicContact CG2-CG1 4.46Å; T203-I257 HydrophobicContact CG2-CD1 3.99Å; T203-L260 HydrophobicContact CG2-CB 3.83Å; T203-Q261 HydrophobicContact CG2-CG 4.48Å; T203-N292 WeakPolarHBondContact CA-OD1 3.47Å
204	N	93.1	Very high	83	Confident	49 Å²	49	52.7 Å²	52.7	26%	0.262	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.5	178	-60.2	-39.4	0	0	0	109.5	I197 L198 K199 N292	I197-N204 HydrophobicContact CG2-CB 4.11Å; L198-N204 CarbonylContact O-C 3.57Å; L198-N204 WeakPolarHBondContact O-CA 3.4Å; K199-N204 WeakPolarHBondContact CG-OD1 3.46Å; N204-N292 PolarHBondContact N-OD1 3.08Å; N204-N292 PolarHBondContact O-ND2 3.42Å
205	V	92.8	Very high	83	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.6	173.8	-69.6	0	0	0	0	110	L198 T203 L207 F221 I257 L260 N288	L198-V205 HydrophobicContact CB-CG2 4.2Å; L198-V205 PolarHBondContact N-O 2.77Å; L198-V205 PolarHBondContact O-N 2.88Å; T203-V205 HydrophobicContact CG2-CG1 4.46Å; V205-L207 HydrophobicContact CG2-CD2 4.19Å; V205-F221 HydrophobicContact CG2-CE2 4.49Å; V205-I257 HydrophobicContact CB-CD1 4.48Å; V205-I257 HydrophobicContact CG1-CB 4.1Å; V205-I257 HydrophobicContact CG1-CD1 3.63Å; V205-I257 HydrophobicContact CG1-CG1 4.43Å; V205-I257 HydrophobicContact CG2-CD1 3.98Å; V205-L260 HydrophobicContact CG1-CD1 4.09Å; V205-N288 WeakPolarHBondContact CA-OD1 3.19Å; V205-N288 HydrophobicContact CG1-CB 4.37Å
206	Q	90.6	Very high	82	Confident	38 Å²	38	57.5 Å²	57.5	18%	0.178	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	137.8	168.1	-78.3	168.9	2.8	0	0	109.8	Y195 E196 I197 M284 N288 L291	Y195-Q206 HydrophobicContact CD1-CB 4.3Å; E196-Q206 CarbonylContact O-C 3.58Å; I197-Q206 HydrophobicContact CG1-CG 4.22Å; Q206-M284 VanDerWaalsContact O-SD 3.38Å; Q206-N288 PolarHBondContact N-OD1 2.82Å; Q206-L291 HydrophobicContact CB-CD1 4.27Å; Q206-L291 VanDerWaalsContact CD-CD1 3.46Å; Q206-L291 HydrophobicContact CG-CD1 3.46Å; Q206-L291 VanDerWaalsContact CG-CD1 3.46Å
207	L	87.8	Confident	80.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.8	178.9	-57.4	-179.1	0	0	0	109.5	Y195 E196 L198 V205 H211 F221 T255	Y195-L207 WeakPolarHBondContact CA-O 3.49Å; E196-L207 PolarHBondContact N-O 2.87Å; E196-L207 PolarHBondContact O-N 2.89Å; L198-L207 HydrophobicContact CB-CD1 3.69Å; L198-L207 HydrophobicContact CB-CG 4.3Å; L198-L207 HydrophobicContact CD2-CD1 3.99Å; L198-L207 HydrophobicContact CG-CD1 4.44Å; V205-L207 HydrophobicContact CG2-CD2 4.19Å; L207-H211 HydrophobicContact CB-CB 4.22Å; L207-F221 HydrophobicContact CD1-CB 4.42Å; L207-F221 HydrophobicContact CD1-CD1 3.76Å; L207-F221 HydrophobicContact CD1-CE1 4.24Å; L207-F221 HydrophobicContact CD1-CG 4.05Å; L207-F221 HydrophobicContact CD2-CB 3.54Å; L207-F221 HydrophobicContact CD2-CD1 4.16Å; L207-F221 HydrophobicContact CD2-CD2 3.83Å; L207-F221 HydrophobicContact CD2-CG 3.57Å; L207-T255 HydrophobicContact CD2-CG2 3.71Å
208	L	82.6	Confident	79.7	Confident	11 Å²	11	53.3 Å²	53.3	6%	0.058	30%	0.296	C	S	.	.			trans	-68.8	147.8	165.7	-72	167.6	0	0	0	110.1	Y195 N210 H211 D218 M284	Y195-L208 HydrophobicContact CD1-CD2 4.15Å; Y195-L208 HydrophobicContact CE1-CD2 3.52Å; Y195-L208 HydrophobicContact CE1-CG 4.15Å; L208-N210 WeakPolarHBondContact CB-OD1 3.15Å; L208-N210 PolarHBondContact O-N 3.32Å; L208-H211 WeakPolarHBondContact O-CB 3.28Å; L208-H211 PolarHBondContact O-CD2 3.2Å; L208-H211 VanDerWaalsContact O-CD2 3.27Å; L208-H211 PolarHBondContact O-N 3.27Å; L208-D218 HydrophobicContact CD1-CB 3.95Å; L208-M284 HydrophobicContact CD1-CE 4.33Å; L208-M284 HydrophobicContact CG-CE 4.01Å
209	P	78.4	Confident	79.1	Confident	97 Å²	97	52.1 Å²	52.1	63%	0.63	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.7	179.3	-28.8	35.4	0	0	0	114.5	A194	A194-P209 WeakPolarHBondContact O-CD 3.34Å; A194-P209 WeakPolarHBondContact O-CG 3.4Å
210	N	78	Confident	78.7	Confident	51 Å²	51	48.3 Å²	48.3	27%	0.273	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	16	179.9	67.1	-15.5	0	0	0	113.9	L208 S212 T213 P214 D218	L208-N210 WeakPolarHBondContact CB-OD1 3.15Å; L208-N210 PolarHBondContact O-N 3.32Å; N210-S212 PolarHBondContact O-N 2.76Å; N210-T213 CarbonylContact O-C 3.51Å; N210-T213 PolarHBondContact O-N 2.81Å; N210-P214 WeakPolarHBondContact O-CA 3.37Å; N210-P214 VanDerWaalsContact O-N 3.1Å; N210-D218 PolarHBondContact ND2-OD2 2.91Å
211	H	74.4	Confident	78.4	Confident	10 Å²	10	47.7 Å²	47.7	5%	0.046	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-25.6	-173.5	71	78.1	0	0	0	115.2	L207 L208 Y220 F221	L207-H211 HydrophobicContact CB-CB 4.22Å; L208-H211 WeakPolarHBondContact O-CB 3.28Å; L208-H211 PolarHBondContact O-CD2 3.2Å; L208-H211 VanDerWaalsContact O-CD2 3.27Å; L208-H211 PolarHBondContact O-N 3.27Å; H211-Y220 WeakPolarHBondContact O-CD2 3.32Å; H211-F221 HydrophobicContact CB-CB 3.99Å; H211-F221 AromaticContact ND1-CD1 3.84Å; H211-F221 PolarHBondContact ND1-O 3.45Å; H211-F221 PolarHBondContact O-N 3.1Å
212	S	68.8	Low	78.3	Confident	68 Å²	68	47.6 Å²	47.6	48%	0.476	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-26	-179.7	-63.4	0	0	0	0	113.5	N210	N210-S212 PolarHBondContact O-N 2.76Å
213	T	72.6	Confident	78.3	Confident	120 Å²	120	51.7 Å²	51.7	74%	0.736	27%	0.274	S	S	*	.	S	Bend	trans	-140.8	67.1	177	35.3	0	0	0	0	108.3	N210	N210-T213 CarbonylContact O-C 3.51Å; N210-T213 PolarHBondContact O-N 2.81Å
214	P	61.5	Low	78.1	Confident	39 Å²	39	57.9 Å²	57.9	25%	0.253	30%	0.301	S	S	.	.			trans	-67.9	151.6	-175.1	28.8	-35.6	0	0	0	110.5	N210 D218 Y220	N210-P214 WeakPolarHBondContact O-CA 3.37Å; N210-P214 VanDerWaalsContact O-N 3.1Å; P214-D218 HydrophobicContact CB-CB 3.66Å; P214-Y220 HydrophobicContact CG-CD2 3.69Å; P214-Y220 HydrophobicContact CG-CG 4.32Å
215	M	65.1	Low	78	Confident	124 Å²	124	56 Å²	56	61%	0.611	29%	0.291	S	S	*	.			trans	-69.5	166	159.8	-55.8	-176.3	58.5	0	0	108.8	S217 D218	M215-S217 PolarHBondContact O-N 2.95Å; M215-D218 WeakPolarHBondContact CB-OD2 3.28Å; M215-D218 WeakPolarHBondContact CG-OD2 3.43Å; M215-D218 PolarHBondContact N-OD2 3.46Å; M215-D218 PolarHBondContact O-N 2.84Å
216	K	57.3	Low	78.1	Confident	149 Å²	149	59.6 Å²	59.6	65%	0.648	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.1	-177.4	-79.6	-171.5	172	-179.2	0	114.7	K170 G171	K170-K216 WeakPolarHBondContact O-CE 3.4Å; K170-K216 PolarHBondContact O-NZ 2.91Å; G171-K216 VanDerWaalsContact C-NZ 3.26Å; G171-K216 VanDerWaalsContact CA-CE 3.45Å; G171-K216 PolarHBondContact O-NZ 2.97Å
217	S	55.2	Low	78.3	Confident	66 Å²	66	60 Å²	60	46%	0.462	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.7	-179.7	47.5	0	0	0	0	113.9	M215 T280	M215-S217 PolarHBondContact O-N 2.95Å; S217-T280 WeakPolarHBondContact O-CB 3.31Å; S217-T280 PolarHBondContact O-OG1 2.8Å; S217-T280 VanDerWaalsContact O-OG1 3.1Å
218	D	71.3	Confident	78.7	Confident	36 Å²	36	60 Å²	60	19%	0.193	31%	0.312	C	S	.	.	S	Bend	trans	-102.1	156.9	-165.9	-48.9	-20.7	0	0	0	111	L208 N210 P214 M215	L208-D218 HydrophobicContact CD1-CB 3.95Å; N210-D218 PolarHBondContact ND2-OD2 2.91Å; P214-D218 HydrophobicContact CB-CB 3.66Å; M215-D218 WeakPolarHBondContact CB-OD2 3.28Å; M215-D218 WeakPolarHBondContact CG-OD2 3.43Å; M215-D218 PolarHBondContact N-OD2 3.46Å; M215-D218 PolarHBondContact O-N 2.84Å
219	T	77.1	Confident	79.3	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-77.7	130.5	-178.2	59.6	0	0	0	0	111.3	T280 M284	T219-T280 HydrophobicContact CG2-CG2 4.15Å; T219-M284 HydrophobicContact CG2-CB 4.12Å; T219-M284 HydrophobicContact CG2-CE 3.5Å; T219-M284 VanDerWaalsContact CG2-CE 3.5Å; T219-M284 HydrophobicContact CG2-CG 4.45Å; T219-M284 HydrophobicContact CG2-SD 3.51Å; T219-M284 VanDerWaalsContact CG2-SD 3.51Å; T219-M284 WeakPolarHBondContact OG1-CE 3.48Å; T219-M284 PolarHBondContact OG1-SD 3.47Å; T219-M284 VanDerWaalsContact OG1-SD 3.39Å
220	Y	83.9	Confident	80.2	Confident	67 Å²	67	55.9 Å²	55.9	26%	0.263	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-89.3	140.8	177	-177.5	-107.3	0	0	0	112.6	H211 P214 N222 F345	H211-Y220 WeakPolarHBondContact O-CD2 3.32Å; P214-Y220 HydrophobicContact CG-CD2 3.69Å; P214-Y220 HydrophobicContact CG-CG 4.32Å; Y220-N222 HydrophobicContact CE1-CB 3.72Å; Y220-N222 WeakPolarHBondContact OH-CB 3.47Å; Y220-N222 PolarHBondContact OH-ND2 3.31Å; Y220-N222 VanDerWaalsContact OH-ND2 3.16Å; Y220-F345 VanDerWaalsContact CB-CZ 3.45Å; Y220-F345 AromaticContact CD1-CE1 3.37Å; Y220-F345 HydrophobicContact CD1-CE1 3.37Å; Y220-F345 AromaticContact CD1-CZ 3.42Å; Y220-F345 HydrophobicContact CD1-CZ 3.42Å; Y220-F345 VanDerWaalsContact CD1-CZ 3.42Å; Y220-F345 AromaticContact CD2-CE1 3.81Å; Y220-F345 HydrophobicContact CD2-CE1 3.81Å; Y220-F345 AromaticContact CD2-CZ 3.99Å; Y220-F345 HydrophobicContact CD2-CZ 3.99Å; Y220-F345 AromaticContact CE1-CE1 3.52Å; Y220-F345 HydrophobicContact CE1-CE1 3.52Å; Y220-F345 HydrophobicContact CE1-CZ 4.07Å; Y220-F345 AromaticContact CE2-CE1 3.95Å; Y220-F345 HydrophobicContact CE2-CE1 3.95Å; Y220-F345 AromaticContact CG-CE1 3.51Å; Y220-F345 HydrophobicContact CG-CE1 3.51Å; Y220-F345 AromaticContact CG-CZ 3.35Å; Y220-F345 HydrophobicContact CG-CZ 3.35Å; Y220-F345 AromaticContact CZ-CE1 3.79Å
221	F	86.5	Confident	81.1	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.018	27%	0.27	C	S	.	.			trans	-148.1	131.8	166.4	-177.6	-87.5	0	0	0	111.1	L198 V205 L207 H211 R223 T255 I257	L198-F221 HydrophobicContact CD2-CD1 4.12Å; L198-F221 HydrophobicContact CD2-CE1 3.17Å; L198-F221 HydrophobicContact CD2-CE2 4.06Å; L198-F221 HydrophobicContact CD2-CZ 3.14Å; V205-F221 HydrophobicContact CG2-CE2 4.49Å; L207-F221 HydrophobicContact CD1-CB 4.42Å; L207-F221 HydrophobicContact CD1-CD1 3.76Å; L207-F221 HydrophobicContact CD1-CE1 4.24Å; L207-F221 HydrophobicContact CD1-CG 4.05Å; L207-F221 HydrophobicContact CD2-CB 3.54Å; L207-F221 HydrophobicContact CD2-CD1 4.16Å; L207-F221 HydrophobicContact CD2-CD2 3.83Å; L207-F221 HydrophobicContact CD2-CG 3.57Å; H211-F221 HydrophobicContact CB-CB 3.99Å; H211-F221 AromaticContact ND1-CD1 3.84Å; H211-F221 PolarHBondContact ND1-O 3.45Å; H211-F221 PolarHBondContact O-N 3.1Å; F221-R223 HydrophobicContact CD1-CG 4.28Å; F221-R223 HydrophobicContact CE1-CB 4.42Å; F221-R223 HydrophobicContact CE1-CG 3.65Å; F221-T255 HydrophobicContact CB-CG2 4.09Å; F221-T255 HydrophobicContact CD2-CG2 4.36Å; F221-I257 HydrophobicContact CD2-CG2 4.27Å; F221-I257 HydrophobicContact CE2-CB 4.17Å; F221-I257 HydrophobicContact CE2-CG1 4.18Å; F221-I257 HydrophobicContact CE2-CG2 3.9Å
222	N	86.6	Confident	82.2	Confident	38 Å²	38	53 Å²	53	20%	0.203	27%	0.268	C	S	.	.			trans	-121.5	116.3	176.9	-170.4	-8.7	0	0	0	111.7	Y220 K224 M225 R229	Y220-N222 HydrophobicContact CE1-CB 3.72Å; Y220-N222 WeakPolarHBondContact OH-CB 3.47Å; Y220-N222 PolarHBondContact OH-ND2 3.31Å; Y220-N222 VanDerWaalsContact OH-ND2 3.16Å; N222-K224 PolarHBondContact O-N 3.11Å; N222-K224 VanDerWaalsContact OD1-CB 3.29Å; N222-K224 WeakPolarHBondContact OD1-CB 3.44Å; N222-K224 PolarHBondContact OD1-N 3.48Å; N222-M225 HydrophobicContact CB-CG 3.96Å; N222-M225 PolarHBondContact O-N 2.93Å; N222-R229 PolarHBondContact O-NH1 3.33Å; N222-R229 VanDerWaalsContact O-NH1 3.09Å; N222-R229 PolarHBondContact O-NH2 3.39Å
223	R	88.6	Confident	83.6	Confident	118 Å²	118	49.8 Å²	49.8	45%	0.445	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-62.1	-30.7	175.9	-70.1	179.7	-169.6	-152.2	4.5	112.2	E196 F221 M225 K226	E196-R223 IonicContact OE1-CZ 2.72Å; E196-R223 IonicContact OE1-NH2 3.59Å; E196-R223 PolarHBondContact OE1-NH2 2.9Å; E196-R223 IonicContact OE2-NH2 3.69Å; E196-R223 PolarHBondContact OE2-NH2 3.13Å; F221-R223 HydrophobicContact CD1-CG 4.28Å; F221-R223 HydrophobicContact CE1-CB 4.42Å; F221-R223 HydrophobicContact CE1-CG 3.65Å; R223-M225 PolarHBondContact O-N 2.77Å; R223-K226 WeakPolarHBondContact O-CB 3.13Å; R223-K226 PolarHBondContact O-N 3.01Å
224	K	88.5	Confident	84.8	Confident	131 Å²	131	44 Å²	44	57%	0.57	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-68.5	-15.5	179.6	-59.9	-178.9	175.5	-174.3	0	113.4	N222 K226	N222-K224 PolarHBondContact O-N 3.11Å; N222-K224 VanDerWaalsContact OD1-CB 3.29Å; N222-K224 WeakPolarHBondContact OD1-CB 3.44Å; N222-K224 PolarHBondContact OD1-N 3.48Å; K224-K226 VanDerWaalsContact C-N 3.28Å; K224-K226 PolarHBondContact O-N 2.86Å
225	M	91.3	Very high	86.6	Confident	9 Å²	9	42.2 Å²	42.2	4%	0.044	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-85.5	5.1	177	-63.6	-65	-79.6	0	0	113.1	N222 R223 T227 N228 R229 T368 T370 F431	N222-M225 HydrophobicContact CB-CG 3.96Å; N222-M225 PolarHBondContact O-N 2.93Å; R223-M225 PolarHBondContact O-N 2.77Å; M225-T227 VanDerWaalsContact C-N 3.33Å; M225-T227 PolarHBondContact O-N 3.28Å; M225-N228 HydrophobicContact CB-CB 4.48Å; M225-N228 HydrophobicContact CE-CB 3.99Å; M225-N228 WeakPolarHBondContact O-CA 3.24Å; M225-N228 VanDerWaalsContact O-CB 3.31Å; M225-N228 WeakPolarHBondContact O-CB 3.36Å; M225-N228 PolarHBondContact O-N 3.25Å; M225-N228 HydrophobicContact SD-CB 4.45Å; M225-R229 PolarHBondContact O-N 3.29Å; M225-T368 HydrophobicContact CE-CG2 3.77Å; M225-T370 HydrophobicContact CE-CG2 4.38Å; M225-F431 HydrophobicContact CE-CB 4.18Å; M225-F431 HydrophobicContact CE-CD1 4.19Å; M225-F431 HydrophobicContact CE-CG 4.31Å; M225-F431 HydrophobicContact SD-CB 4.23Å; M225-F431 HydrophobicContact SD-CD1 3.62Å; M225-F431 HydrophobicContact SD-CE1 4.4Å; M225-F431 HydrophobicContact SD-CG 4.24Å
226	K	93.8	Very high	88.1	Confident	75 Å²	75	36.3 Å²	36.3	33%	0.326	17%	0.169	S	C	.	.	H	α-helix	trans	-52.6	-48.8	177.1	-175.6	-174.4	-176.8	-166.6	0	112.2	E200 R223 K224 N228 R229 Q230 D521	E200-K226 HydrophobicContact CG-CG 4.46Å; R223-K226 WeakPolarHBondContact O-CB 3.13Å; R223-K226 PolarHBondContact O-N 3.01Å; K224-K226 VanDerWaalsContact C-N 3.28Å; K224-K226 PolarHBondContact O-N 2.86Å; K226-N228 VanDerWaalsContact C-N 3.29Å; K226-N228 PolarHBondContact O-N 2.99Å; K226-R229 PolarHBondContact O-N 2.68Å; K226-Q230 WeakPolarHBondContact O-CG 3.13Å; K226-Q230 PolarHBondContact O-N 2.99Å; K226-D521 WeakPolarHBondContact CE-OD2 3.46Å; K226-D521 IonicContact NZ-OD2 3.5Å; K226-D521 PolarHBondContact NZ-OD2 3.13Å
227	T	94.8	Very high	90	Very high	48 Å²	48	29.4 Å²	29.4	29%	0.294	14%	0.14	S	C	.	.	H	α-helix	trans	-60	-37.8	177	-54.1	0	0	0	0	112.2	M225 L231 I522 L525	M225-T227 VanDerWaalsContact C-N 3.33Å; M225-T227 PolarHBondContact O-N 3.28Å; T227-L231 HydrophobicContact CG2-CD1 4.24Å; T227-L231 VanDerWaalsContact O-CG 3.27Å; T227-L231 WeakPolarHBondContact O-CG 3.4Å; T227-L231 PolarHBondContact O-N 3.3Å; T227-I522 HydrophobicContact CG2-CG2 4.06Å; T227-L525 HydrophobicContact CG2-CD2 3.93Å
228	N	95.9	Very high	92	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-54.1	175.4	-176.4	-76.1	0	0	0	110.4	M225 K226 Q230 L231 V232 T368 F431	M225-N228 HydrophobicContact CB-CB 4.48Å; M225-N228 HydrophobicContact CE-CB 3.99Å; M225-N228 WeakPolarHBondContact O-CA 3.24Å; M225-N228 VanDerWaalsContact O-CB 3.31Å; M225-N228 WeakPolarHBondContact O-CB 3.36Å; M225-N228 PolarHBondContact O-N 3.25Å; M225-N228 HydrophobicContact SD-CB 4.45Å; K226-N228 VanDerWaalsContact C-N 3.29Å; K226-N228 PolarHBondContact O-N 2.99Å; N228-Q230 VanDerWaalsContact C-N 3.28Å; N228-Q230 PolarHBondContact O-N 3.36Å; N228-L231 PolarHBondContact O-N 3.34Å; N228-L231 VanDerWaalsContact O-N 3.1Å; N228-V232 VanDerWaalsContact O-CG2 3.24Å; N228-V232 WeakPolarHBondContact O-CG2 3.29Å; N228-V232 PolarHBondContact O-N 2.99Å; N228-T368 WeakPolarHBondContact ND2-CG2 3.43Å; N228-T368 PolarHBondContact ND2-OG1 2.92Å; N228-T368 VanDerWaalsContact ND2-OG1 3.13Å; N228-F431 HydrophobicContact CB-CD1 4.04Å; N228-F431 HydrophobicContact CB-CD2 4.37Å; N228-F431 HydrophobicContact CB-CE1 3.62Å; N228-F431 HydrophobicContact CB-CE2 3.98Å; N228-F431 HydrophobicContact CB-CG 4.41Å; N228-F431 HydrophobicContact CB-CZ 3.59Å; N228-F431 VanDerWaalsContact ND2-CD2 3.28Å; N228-F431 WeakPolarHBondContact ND2-CD2 3.32Å; N228-F431 WeakPolarHBondContact ND2-CE2 3.4Å
229	R	96.2	Very high	93.2	Very high	13 Å²	13	24.7 Å²	24.7	5%	0.049	11%	0.109	C	C	.	.	H	α-helix	trans	-56.3	-41.6	179.9	-68.8	-172.6	-69.5	-89.4	1.7	112.3	E200 N222 M225 K226 V232 F233 M258	E200-R229 IonicContact OE1-CZ 3.96Å; E200-R229 IonicContact OE1-NE 2.68Å; E200-R229 PolarHBondContact OE1-NE 2.98Å; E200-R229 IonicContact OE1-NH2 3.42Å; E200-R229 PolarHBondContact OE1-NH2 3.39Å; E200-R229 IonicContact OE2-CZ 2.77Å; E200-R229 IonicContact OE2-NE 3.29Å; E200-R229 IonicContact OE2-NH2 3.63Å; E200-R229 PolarHBondContact OE2-NH2 2.94Å; N222-R229 PolarHBondContact O-NH1 3.33Å; N222-R229 VanDerWaalsContact O-NH1 3.09Å; N222-R229 PolarHBondContact O-NH2 3.39Å; M225-R229 PolarHBondContact O-N 3.29Å; K226-R229 PolarHBondContact O-N 2.68Å; R229-V232 PolarHBondContact O-N 2.94Å; R229-F233 VanDerWaalsContact O-CB 3.29Å; R229-F233 WeakPolarHBondContact O-CB 3.5Å; R229-F233 PolarHBondContact O-N 3.43Å; R229-M258 HydrophobicContact CB-SD 4.45Å; R229-M258 HydrophobicContact CG-SD 4.02Å
230	Q	96.8	Very high	94.1	Very high	7 Å²	7	25 Å²	25	3%	0.033	11%	0.112	C	C	.	.	H	α-helix	trans	-67.1	-40.4	177.5	-71.3	177.1	-49.9	0	0	112.8	K226 N228 F233 C234 M519 I522	K226-Q230 WeakPolarHBondContact O-CG 3.13Å; K226-Q230 PolarHBondContact O-N 2.99Å; N228-Q230 VanDerWaalsContact C-N 3.28Å; N228-Q230 PolarHBondContact O-N 3.36Å; Q230-F233 PolarHBondContact O-N 2.83Å; Q230-C234 PolarHBondContact O-N 3.02Å; Q230-C234 PolarHBondContact O-SG 3.14Å; Q230-M519 HydrophobicContact CB-SD 3.72Å; Q230-M519 HydrophobicContact CG-SD 3.75Å; Q230-I522 HydrophobicContact CB-CD1 3.96Å; Q230-I522 HydrophobicContact CB-CG1 4.41Å; Q230-I522 HydrophobicContact CB-CG2 3.7Å; Q230-I522 HydrophobicContact CG-CG2 4.48Å; Q230-I522 VanDerWaalsContact OE1-CG2 3.3Å
231	L	97.5	Very high	94.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-44.2	174.3	-72.7	169.5	0	0	0	111.5	T227 N228 C234 S235 L424 V426 L433 M510 L525 V526	T227-L231 HydrophobicContact CG2-CD1 4.24Å; T227-L231 VanDerWaalsContact O-CG 3.27Å; T227-L231 WeakPolarHBondContact O-CG 3.4Å; T227-L231 PolarHBondContact O-N 3.3Å; N228-L231 PolarHBondContact O-N 3.34Å; N228-L231 VanDerWaalsContact O-N 3.1Å; L231-C234 PolarHBondContact O-N 3.36Å; L231-S235 PolarHBondContact O-N 3.03Å; L231-S235 PolarHBondContact O-OG 2.8Å; L231-L424 HydrophobicContact CD2-CD2 4.26Å; L231-V426 HydrophobicContact CD1-CG1 4.42Å; L231-V426 HydrophobicContact CD1-CG2 4.09Å; L231-L433 HydrophobicContact CB-CD2 3.81Å; L231-L433 HydrophobicContact CD1-CD2 4.04Å; L231-M510 HydrophobicContact CD2-CE 4.19Å; L231-M510 VanDerWaalsContact O-CE 3.28Å; L231-M510 WeakPolarHBondContact O-CE 3.34Å; L231-L525 HydrophobicContact CD1-CD2 4.13Å; L231-V526 HydrophobicContact CD2-CG2 4.06Å
232	V	97.9	Very high	94.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.1	-41.2	178.3	176	0	0	0	0	111.1	N228 R229 S235 L236 M258 W262 Y339 H341 L433	N228-V232 VanDerWaalsContact O-CG2 3.24Å; N228-V232 WeakPolarHBondContact O-CG2 3.29Å; N228-V232 PolarHBondContact O-N 2.99Å; R229-V232 PolarHBondContact O-N 2.94Å; V232-S235 WeakPolarHBondContact CA-OG 3.24Å; V232-S235 PolarHBondContact O-N 2.73Å; V232-S235 PolarHBondContact O-OG 3.38Å; V232-L236 PolarHBondContact O-N 3.43Å; V232-M258 HydrophobicContact CB-SD 4.21Å; V232-M258 HydrophobicContact CG1-SD 3.89Å; V232-W262 HydrophobicContact CG1-CZ2 3.74Å; V232-Y339 HydrophobicContact CG1-CE1 4.17Å; V232-Y339 WeakPolarHBondContact CG1-OH 3.34Å; V232-Y339 PolarHBondContact O-OH 3.43Å; V232-H341 HydrophobicContact CG1-CB 4.44Å; V232-H341 WeakPolarHBondContact CG1-ND1 3.44Å; V232-H341 WeakPolarHBondContact CG2-CE1 3.3Å; V232-L433 HydrophobicContact CG2-CD1 4.01Å; V232-L433 HydrophobicContact CG2-CD2 4.14Å
233	F	98.1	Very high	94.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.3	-49.9	173.1	-179.4	-77.9	0	0	0	110.7	L201 R229 Q230 S235 L236 A237 Q261 W262 H265 L266 H517 M519	L201-F233 HydrophobicContact CD2-CD2 4.45Å; L201-F233 HydrophobicContact CD2-CE2 4.46Å; R229-F233 VanDerWaalsContact O-CB 3.29Å; R229-F233 WeakPolarHBondContact O-CB 3.5Å; R229-F233 PolarHBondContact O-N 3.43Å; Q230-F233 PolarHBondContact O-N 2.83Å; F233-S235 VanDerWaalsContact C-N 3.31Å; F233-S235 PolarHBondContact O-N 3.48Å; F233-L236 PolarHBondContact O-N 3.21Å; F233-L236 VanDerWaalsContact O-N 3.15Å; F233-A237 HydrophobicContact CD1-CB 4.48Å; F233-A237 HydrophobicContact CE1-CB 4.19Å; F233-A237 WeakPolarHBondContact O-CB 3.49Å; F233-A237 PolarHBondContact O-N 2.98Å; F233-Q261 HydrophobicContact CD2-CB 4.42Å; F233-W262 AromaticContact CD2-CD1 3.81Å; F233-H265 HydrophobicContact CE2-CB 3.72Å; F233-H265 HydrophobicContact CZ-CB 3.59Å; F233-L266 HydrophobicContact CE1-CD2 4.35Å; F233-L266 HydrophobicContact CE2-CG 4.18Å; F233-L266 HydrophobicContact CZ-CD2 3.83Å; F233-L266 HydrophobicContact CZ-CG 3.96Å; F233-H517 HydrophobicContact CE1-CB 4.16Å; F233-H517 AromaticContact CE1-CD2 3.63Å; F233-H517 AromaticContact CE1-CG 3.66Å; F233-H517 AromaticContact CE1-ND1 3.93Å; F233-H517 AromaticContact CE1-NE2 3.88Å; F233-H517 AromaticContact CZ-CE1 3.92Å; F233-H517 AromaticContact CZ-ND1 3.88Å; F233-M519 HydrophobicContact CB-CE 4.11Å; F233-M519 HydrophobicContact CD1-CE 3.12Å; F233-M519 HydrophobicContact CD1-SD 4.25Å; F233-M519 HydrophobicContact CD2-CE 4.24Å; F233-M519 HydrophobicContact CE1-CE 3.53Å; F233-M519 HydrophobicContact CG-CE 3.55Å; F233-M519 HydrophobicContact CZ-CE 4.26Å
234	C	97.9	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-38	-179	-68.9	0	0	0	0	111.8	Q230 L231 L236 A237 V238 M510 A513 I522	Q230-C234 PolarHBondContact O-N 3.02Å; Q230-C234 PolarHBondContact O-SG 3.14Å; L231-C234 PolarHBondContact O-N 3.36Å; C234-L236 VanDerWaalsContact C-N 3.34Å; C234-A237 PolarHBondContact O-N 3.05Å; C234-V238 VanDerWaalsContact O-CG2 3.3Å; C234-V238 WeakPolarHBondContact O-CG2 3.24Å; C234-V238 PolarHBondContact O-N 3.46Å; C234-V238 VanDerWaalsContact O-N 3.08Å; C234-M510 HydrophobicContact CB-CB 4.28Å; C234-M510 HydrophobicContact CB-CE 3.86Å; C234-M510 HydrophobicContact CB-CG 4.38Å; C234-A513 HydrophobicContact CB-CB 4.49Å; C234-I522 VanDerWaalsContact SG-CD1 3.6Å
235	S	97.9	Very high	94.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.8	-35.2	175.3	50.8	0	0	0	0	113	L231 V232 F233 L239 Y339	L231-S235 PolarHBondContact O-N 3.03Å; L231-S235 PolarHBondContact O-OG 2.8Å; V232-S235 WeakPolarHBondContact CA-OG 3.24Å; V232-S235 PolarHBondContact O-N 2.73Å; V232-S235 PolarHBondContact O-OG 3.38Å; F233-S235 VanDerWaalsContact C-N 3.31Å; F233-S235 PolarHBondContact O-N 3.48Å; S235-L239 PolarHBondContact O-N 2.87Å; S235-Y339 PolarHBondContact OG-OH 2.66Å
236	L	97.9	Very high	94.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69	-43.5	173.2	174.3	59.2	0	0	0	111.7	V232 F233 C234 V238 L239 A240 L246 C248 W262 L266 V270 Y339	V232-L236 PolarHBondContact O-N 3.43Å; F233-L236 PolarHBondContact O-N 3.21Å; F233-L236 VanDerWaalsContact O-N 3.15Å; C234-L236 VanDerWaalsContact C-N 3.34Å; L236-V238 VanDerWaalsContact C-N 3.3Å; L236-V238 PolarHBondContact O-N 3.42Å; L236-L239 PolarHBondContact O-N 3.24Å; L236-A240 PolarHBondContact O-N 3.19Å; L236-L246 HydrophobicContact CD1-CD1 3.94Å; L236-C248 WeakPolarHBondContact CD1-SG 3.27Å; L236-W262 HydrophobicContact CD2-CB 3.85Å; L236-W262 HydrophobicContact CD2-CD2 3.46Å; L236-W262 VanDerWaalsContact CD2-CD2 3.46Å; L236-W262 HydrophobicContact CD2-CE3 3.85Å; L236-W262 HydrophobicContact CD2-CG 3.46Å; L236-W262 VanDerWaalsContact CD2-CG 3.46Å; L236-L266 HydrophobicContact CB-CD1 4.48Å; L236-L266 HydrophobicContact CD2-CD1 3.72Å; L236-L266 HydrophobicContact CG-CD1 3.66Å; L236-V270 HydrophobicContact CD1-CG1 4.26Å; L236-V270 HydrophobicContact CD2-CG1 4.43Å; L236-V270 HydrophobicContact CG-CG1 4.46Å; L236-Y339 HydrophobicContact CB-CD1 4.47Å; L236-Y339 HydrophobicContact CB-CD2 4.15Å; L236-Y339 HydrophobicContact CB-CE1 4.17Å; L236-Y339 HydrophobicContact CB-CE2 3.84Å; L236-Y339 HydrophobicContact CB-CG 4.46Å; L236-Y339 HydrophobicContact CD1-CD1 4.13Å; L236-Y339 HydrophobicContact CD1-CD2 3.7Å; L236-Y339 HydrophobicContact CD1-CE2 4.29Å; L236-Y339 HydrophobicContact CD1-CG 3.62Å
237	A	97.3	Very high	94.8	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.033	14%	0.139	C	C	.	.	H	α-helix	trans	-57	-44.2	177.9	0	0	0	0	0	111.4	F233 C234 L239 A240 E241 L266 A513	F233-A237 HydrophobicContact CD1-CB 4.48Å; F233-A237 HydrophobicContact CE1-CB 4.19Å; F233-A237 WeakPolarHBondContact O-CB 3.49Å; F233-A237 PolarHBondContact O-N 2.98Å; C234-A237 PolarHBondContact O-N 3.05Å; A237-L239 VanDerWaalsContact C-N 3.31Å; A237-L239 PolarHBondContact O-N 3.22Å; A237-A240 WeakPolarHBondContact O-CB 3.13Å; A237-A240 PolarHBondContact O-N 3.43Å; A237-A240 VanDerWaalsContact O-N 3.14Å; A237-E241 PolarHBondContact O-N 3.46Å; A237-L266 HydrophobicContact CB-CD2 4.04Å; A237-A513 HydrophobicContact CB-CB 4.06Å
238	V	97.1	Very high	95	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-37.4	175.5	175.9	0	0	0	0	112.2	C234 L236 F506 R509 M510 A513	C234-V238 VanDerWaalsContact O-CG2 3.3Å; C234-V238 WeakPolarHBondContact O-CG2 3.24Å; C234-V238 PolarHBondContact O-N 3.46Å; C234-V238 VanDerWaalsContact O-N 3.08Å; L236-V238 VanDerWaalsContact C-N 3.3Å; L236-V238 PolarHBondContact O-N 3.42Å; V238-F506 HydrophobicContact CB-CE2 3.86Å; V238-F506 HydrophobicContact CB-CZ 4.03Å; V238-F506 HydrophobicContact CG1-CD2 3.7Å; V238-F506 HydrophobicContact CG1-CE2 3.39Å; V238-F506 HydrophobicContact CG1-CZ 4.07Å; V238-R509 HydrophobicContact CB-CB 4.43Å; V238-R509 HydrophobicContact CG1-CB 3.79Å; V238-R509 VanDerWaalsContact CG1-NE 3.28Å; V238-R509 HydrophobicContact CG2-CB 3.69Å; V238-M510 HydrophobicContact CG2-CG 4Å; V238-A513 HydrophobicContact CG2-CB 4.41Å
239	L	96.6	Very high	95.1	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-70	-35.3	175.6	-173.4	63.9	0	0	0	112	S235 L236 A237 E241 E242 R243 L246 Y339 I364	S235-L239 PolarHBondContact O-N 2.87Å; L236-L239 PolarHBondContact O-N 3.24Å; A237-L239 VanDerWaalsContact C-N 3.31Å; A237-L239 PolarHBondContact O-N 3.22Å; L239-E241 PolarHBondContact O-N 3.28Å; L239-E242 WeakPolarHBondContact O-CB 3.21Å; L239-E242 PolarHBondContact O-N 3.46Å; L239-R243 PolarHBondContact O-N 2.97Å; L239-R243 VanDerWaalsContact O-N 3.12Å; L239-L246 HydrophobicContact CB-CD1 4.07Å; L239-L246 HydrophobicContact CD2-CD1 3.98Å; L239-L246 HydrophobicContact CD2-CD2 4.37Å; L239-L246 HydrophobicContact CG-CD1 3.76Å; L239-L246 HydrophobicContact CG-CD2 4.2Å; L239-Y339 HydrophobicContact CD2-CD2 3.88Å; L239-I364 HydrophobicContact CB-CD1 3.89Å; L239-I364 HydrophobicContact CD1-CD1 4.04Å; L239-I364 HydrophobicContact CD1-CG1 4.27Å; L239-I364 HydrophobicContact CD2-CB 4.15Å; L239-I364 HydrophobicContact CD2-CD1 3.99Å; L239-I364 HydrophobicContact CD2-CG1 3.97Å; L239-I364 HydrophobicContact CG-CD1 4.19Å
240	A	95.6	Very high	95.2	Very high	6 Å²	6	24.7 Å²	24.7	5%	0.05	12%	0.123	C	C	.	.	H	α-helix	trans	-67.3	-25.1	179.7	0	0	0	0	0	112.8	L236 A237 R243 L246 V270	L236-A240 PolarHBondContact O-N 3.19Å; A237-A240 WeakPolarHBondContact O-CB 3.13Å; A237-A240 PolarHBondContact O-N 3.43Å; A237-A240 VanDerWaalsContact O-N 3.14Å; A240-R243 CarbonylContact C-O 3.59Å; A240-R243 VanDerWaalsContact O-O 3.11Å; A240-L246 HydrophobicContact CB-CD1 3.92Å; A240-V270 HydrophobicContact CB-CG1 4.4Å
241	E	92.3	Very high	95.2	Very high	106 Å²	106	24.5 Å²	24.5	50%	0.495	12%	0.122	S	C	.	.	H	α-helix	trans	-71.3	-31.8	169.2	-68.6	174.9	-178.4	0	0	112.4	A237 L239	A237-E241 PolarHBondContact O-N 3.46Å; L239-E241 PolarHBondContact O-N 3.28Å
242	E	90.1	Very high	95.1	Very high	74 Å²	74	26.7 Å²	26.7	35%	0.346	13%	0.132	S	C	.	.	H	α-helix	trans	-78.4	-34	-179.5	-65.2	179.2	-167.5	0	0	112	L239 R437 R509	L239-E242 WeakPolarHBondContact O-CB 3.21Å; L239-E242 PolarHBondContact O-N 3.46Å; E242-R437 VanDerWaalsContact CD-NH2 3.27Å; E242-R437 IonicContact OE1-CZ 3.1Å; E242-R437 IonicContact OE1-NH2 3.96Å; E242-R437 PolarHBondContact OE1-NH2 2.76Å; E242-R437 IonicContact OE2-CZ 2.78Å; E242-R437 IonicContact OE2-NH1 2.8Å; E242-R437 IonicContact OE2-NH2 3.48Å; E242-R437 PolarHBondContact OE2-NH2 3.32Å; E242-R509 IonicContact OE1-CZ 2.67Å; E242-R509 IonicContact OE1-NE 3.57Å; E242-R509 IonicContact OE1-NH2 2.7Å; E242-R509 PolarHBondContact OE1-NH2 3.21Å
243	R	88.3	Confident	94.9	Very high	101 Å²	101	26.9 Å²	26.9	38%	0.381	13%	0.134	S	C	.	.	S	Bend	trans	-151.4	142.6	-178.5	-61.3	179.2	-178.1	168.8	-0	111.6	L239 A240 L246 N361	L239-R243 PolarHBondContact O-N 2.97Å; L239-R243 VanDerWaalsContact O-N 3.12Å; A240-R243 CarbonylContact C-O 3.59Å; A240-R243 VanDerWaalsContact O-O 3.11Å; R243-L246 HydrophobicContact CB-CD2 3.82Å; R243-L246 WeakPolarHBondContact O-CD2 3.42Å; R243-L246 WeakPolarHBondContact O-CG 3.49Å; R243-N361 PolarHBondContact NH1-O 2.99Å
244	N	85.1	Confident	94.7	Very high	114 Å²	114	27.8 Å²	27.8	61%	0.61	14%	0.142	S	C	*	.	S	Bend	trans	-148.4	146.2	172.8	50.4	48.5	0	0	0	112.1
245	P	86	Confident	94.5	Very high	70 Å²	70	27.9 Å²	27.9	46%	0.455	14%	0.142	S	C	.	.	S	Bend	cis	-81.5	135.9	-7.4	32.9	-33.2	0	0	0	112.9	T269	P245-T269 WeakPolarHBondContact CA-O 3.46Å
246	L	95.1	Very high	94.3	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	144.5	176.5	-61.9	175.8	0	0	0	112	L236 L239 A240 R243 T269 V270 R271 D338	L236-L246 HydrophobicContact CD1-CD1 3.94Å; L239-L246 HydrophobicContact CB-CD1 4.07Å; L239-L246 HydrophobicContact CD2-CD1 3.98Å; L239-L246 HydrophobicContact CD2-CD2 4.37Å; L239-L246 HydrophobicContact CG-CD1 3.76Å; L239-L246 HydrophobicContact CG-CD2 4.2Å; A240-L246 HydrophobicContact CB-CD1 3.92Å; R243-L246 HydrophobicContact CB-CD2 3.82Å; R243-L246 WeakPolarHBondContact O-CD2 3.42Å; R243-L246 WeakPolarHBondContact O-CG 3.49Å; L246-T269 PolarHBondContact N-O 3.34Å; L246-V270 HydrophobicContact CB-CG1 4.4Å; L246-V270 HydrophobicContact CD1-CG1 4.48Å; L246-V270 CarbonylContact O-C 3.59Å; L246-R271 PolarHBondContact O-N 2.79Å; L246-D338 HydrophobicContact CB-CB 4.24Å; L246-D338 HydrophobicContact CD2-CB 3.81Å
247	E	96.9	Very high	94.2	Very high	30 Å²	30	28.4 Å²	28.4	14%	0.14	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.1	163.5	-64.4	-76.8	177.6	0	0	110	R271 F337 D338 Y339	E247-R271 IonicContact OE1-CZ 2.74Å; E247-R271 IonicContact OE1-NE 3.05Å; E247-R271 PolarHBondContact OE1-NE 3.02Å; E247-R271 IonicContact OE1-NH1 2.94Å; E247-R271 PolarHBondContact OE1-NH1 3.45Å; E247-R271 IonicContact OE1-NH2 3.11Å; E247-R271 PolarHBondContact OE1-NH2 2.97Å; E247-R271 VanDerWaalsContact OE1-NH2 3.11Å; E247-F337 HydrophobicContact CB-CD1 4.09Å; E247-D338 PolarHBondContact N-OD2 3.34Å; E247-D338 PolarHBondContact O-N 3.24Å; E247-Y339 PolarHBondContact O-N 3.05Å; E247-Y339 VanDerWaalsContact O-N 3.12Å
248	C	97.9	Very high	94.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.2	-173.9	-57.2	0	0	0	0	111	L236 W262 R271 T273 Y339	L236-C248 WeakPolarHBondContact CD1-SG 3.27Å; C248-W262 HydrophobicContact CB-CE3 4.19Å; C248-W262 HydrophobicContact CB-CZ3 4.26Å; C248-R271 PolarHBondContact N-O 3.41Å; C248-T273 PolarHBondContact O-N 2.85Å; C248-T273 PolarHBondContact O-OG1 2.79Å; C248-Y339 CarbonylContact C-O 3.59Å; C248-Y339 WeakPolarHBondContact CA-O 3.26Å
249	L	98.3	Very high	94.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.1	177	178	62.9	0	0	0	110.8	A251 T273 T275 I331 M332 F337 Y339 I340 H341	L249-A251 HydrophobicContact CD2-CB 4.22Å; L249-A251 HydrophobicContact CG-CB 4.15Å; L249-T273 HydrophobicContact CD1-CG2 4.12Å; L249-T275 HydrophobicContact CD1-CG2 3.94Å; L249-I331 HydrophobicContact CD1-CD1 4.23Å; L249-I331 HydrophobicContact CD1-CG2 3.99Å; L249-I331 HydrophobicContact CD2-CG2 3.72Å; L249-M332 HydrophobicContact CD2-CG 3.54Å; L249-M332 HydrophobicContact CD2-SD 4.33Å; L249-F337 HydrophobicContact CB-CD1 3.72Å; L249-F337 HydrophobicContact CB-CD2 4.15Å; L249-F337 HydrophobicContact CB-CE1 3.82Å; L249-F337 HydrophobicContact CB-CE2 4.24Å; L249-F337 HydrophobicContact CB-CG 3.88Å; L249-F337 HydrophobicContact CB-CZ 4.06Å; L249-F337 HydrophobicContact CD1-CE1 4.4Å; L249-F337 HydrophobicContact CD1-CZ 4.09Å; L249-F337 HydrophobicContact CD2-CD2 4.01Å; L249-F337 HydrophobicContact CD2-CE2 3.77Å; L249-F337 HydrophobicContact CD2-CZ 4.14Å; L249-F337 HydrophobicContact CG-CE2 4.41Å; L249-F337 HydrophobicContact CG-CZ 4.32Å; L249-Y339 PolarHBondContact N-O 3.49Å; L249-I340 HydrophobicContact CD2-CG2 4.28Å; L249-H341 PolarHBondContact O-N 2.87Å
250	D	98	Very high	94.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	95.8	159.2	-174.7	3.7	0	0	0	107.7	F252 G259 W262 T273 I274 T275	D250-F252 VanDerWaalsContact C-N 3.27Å; D250-F252 PolarHBondContact O-N 3.42Å; D250-G259 PolarHBondContact OD2-N 2.87Å; D250-W262 HydrophobicContact CB-CH2 4.03Å; D250-W262 HydrophobicContact CB-CZ3 3.83Å; D250-T273 PolarHBondContact N-O 2.77Å; D250-I274 HydrophobicContact CB-CG1 4.34Å; D250-I274 HydrophobicContact CB-CG2 4.44Å; D250-T275 PolarHBondContact O-N 3.26Å; D250-T275 PolarHBondContact O-OG1 2.91Å
251	A	97.1	Very high	94.1	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	14%	0.142	C	C	.	.	S	Bend	trans	-72.8	-20	-168.4	0	0	0	0	0	113.5	L249 T275 A328 H341 L342	L249-A251 HydrophobicContact CD2-CB 4.22Å; L249-A251 HydrophobicContact CG-CB 4.15Å; A251-T275 CarbonylContact C-O 3.58Å; A251-T275 WeakPolarHBondContact CA-OG1 3.26Å; A251-T275 PolarHBondContact O-OG1 3.33Å; A251-A328 HydrophobicContact CB-CB 4.01Å; A251-H341 VanDerWaalsContact CB-O 3.25Å; A251-H341 WeakPolarHBondContact CB-O 3.38Å; A251-H341 PolarHBondContact N-O 3.28Å; A251-L342 HydrophobicContact CB-CD2 3.81Å
252	F	95.8	Very high	94.3	Very high	47 Å²	47	23.2 Å²	23.2	21%	0.206	12%	0.119	C	C	.	.			trans	-134	76.8	-177.4	-60.1	-83.1	0	0	0	109.8	D250 A254 A328 L342 P344 Y351	D250-F252 VanDerWaalsContact C-N 3.27Å; D250-F252 PolarHBondContact O-N 3.42Å; F252-A254 PolarHBondContact O-N 3.36Å; F252-A328 HydrophobicContact CE1-CB 4.22Å; F252-A328 HydrophobicContact CE2-CB 4.3Å; F252-A328 HydrophobicContact CZ-CB 3.83Å; F252-L342 HydrophobicContact CE2-CB 4.39Å; F252-L342 HydrophobicContact CE2-CD2 4.08Å; F252-P344 HydrophobicContact CD1-CB 4.35Å; F252-P344 HydrophobicContact CD2-CB 4.37Å; F252-P344 HydrophobicContact CE1-CB 3.95Å; F252-P344 HydrophobicContact CE2-CB 3.96Å; F252-P344 HydrophobicContact CE2-CG 4.17Å; F252-P344 HydrophobicContact CZ-CB 3.75Å; F252-P344 HydrophobicContact CZ-CG 4.29Å; F252-Y351 HydrophobicContact CE1-CE1 4.16Å; F252-Y351 HydrophobicContact CE1-CE2 4.16Å; F252-Y351 AromaticContact CE1-CZ 3.81Å; F252-Y351 HydrophobicContact CE2-CD2 4.36Å; F252-Y351 HydrophobicContact CE2-CE2 4.46Å; F252-Y351 HydrophobicContact CE2-CG 4.5Å; F252-Y351 AromaticContact CZ-CD1 3.91Å; F252-Y351 HydrophobicContact CZ-CD1 3.91Å; F252-Y351 AromaticContact CZ-CD2 3.77Å; F252-Y351 HydrophobicContact CZ-CD2 3.77Å; F252-Y351 AromaticContact CZ-CE1 3.7Å; F252-Y351 HydrophobicContact CZ-CE1 3.7Å; F252-Y351 AromaticContact CZ-CE2 3.54Å; F252-Y351 HydrophobicContact CZ-CE2 3.54Å; F252-Y351 AromaticContact CZ-CG 3.94Å; F252-Y351 HydrophobicContact CZ-CG 3.94Å; F252-Y351 AromaticContact CZ-CZ 3.49Å; F252-Y351 VanDerWaalsContact CZ-CZ 3.49Å
253	G	93.1	Very high	94.6	Very high	5 Å²	5	19.8 Å²	19.8	5%	0.052	10%	0.103	C	C	.	.			trans	-63.9	-42.6	-171.9	0	0	0	0	0	113.9	T255 G256 T275	G253-T255 PolarHBondContact O-N 3.21Å; G253-G256 WeakPolarHBondContact O-CA 3.47Å; G253-G256 PolarHBondContact O-N 3.24Å; G253-T275 PolarHBondContact N-O 2.91Å
254	A	93.4	Very high	94.9	Very high	19 Å²	19	17 Å²	17	16%	0.157	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-93.3	-168.7	0	0	0	0	0	112.7	F252 D276 C281	F252-A254 PolarHBondContact O-N 3.36Å; A254-D276 VanDerWaalsContact CA-OD2 3.29Å; A254-D276 WeakPolarHBondContact CA-OD2 3.24Å; A254-D276 PolarHBondContact N-OD2 2.94Å; A254-C281 WeakPolarHBondContact O-CA 3.25Å; A254-C281 VanDerWaalsContact O-CB 3.3Å; A254-C281 WeakPolarHBondContact O-CB 3.49Å
255	T	94.3	Very high	95.3	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.012	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-14.3	174.4	56.5	0	0	0	0	113.5	L207 F221 G253 M284 N288	L207-T255 HydrophobicContact CD2-CG2 3.71Å; F221-T255 HydrophobicContact CB-CG2 4.09Å; F221-T255 HydrophobicContact CD2-CG2 4.36Å; G253-T255 PolarHBondContact O-N 3.21Å; T255-M284 HydrophobicContact CG2-SD 3.86Å; T255-N288 PolarHBondContact O-ND2 3.1Å
256	G	94.9	Very high	95.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.			trans	85.4	1.2	-176.7	0	0	0	0	0	114.5	G253 M258 G259 L260	G253-G256 WeakPolarHBondContact O-CA 3.47Å; G253-G256 PolarHBondContact O-N 3.24Å; G256-M258 PolarHBondContact O-N 2.89Å; G256-G259 PolarHBondContact O-N 2.67Å; G256-L260 VanDerWaalsContact O-CB 3.28Å; G256-L260 WeakPolarHBondContact O-CB 3.49Å; G256-L260 WeakPolarHBondContact O-CD1 3.4Å; G256-L260 WeakPolarHBondContact O-CG 3.38Å; G256-L260 PolarHBondContact O-N 3Å
257	I	95.7	Very high	95.5	Very high	10 Å²	10	19.3 Å²	19.3	5%	0.051	9%	0.088	C	C	.	.	H	α-helix	trans	-49.6	-40.3	-170.8	-177.4	59.4	0	0	0	113.8	E200 T203 V205 F221 Q261	E200-I257 HydrophobicContact CB-CD1 4.26Å; T203-I257 HydrophobicContact CG2-CD1 3.99Å; V205-I257 HydrophobicContact CB-CD1 4.48Å; V205-I257 HydrophobicContact CG1-CB 4.1Å; V205-I257 HydrophobicContact CG1-CD1 3.63Å; V205-I257 HydrophobicContact CG1-CG1 4.43Å; V205-I257 HydrophobicContact CG2-CD1 3.98Å; F221-I257 HydrophobicContact CD2-CG2 4.27Å; F221-I257 HydrophobicContact CE2-CB 4.17Å; F221-I257 HydrophobicContact CE2-CG1 4.18Å; F221-I257 HydrophobicContact CE2-CG2 3.9Å; I257-Q261 HydrophobicContact CD1-CG 4.3Å; I257-Q261 WeakPolarHBondContact O-CB 3.34Å; I257-Q261 VanDerWaalsContact O-CG 3.22Å; I257-Q261 WeakPolarHBondContact O-CG 3.45Å; I257-Q261 PolarHBondContact O-N 3.38Å
258	M	95.4	Very high	95.2	Very high	9 Å²	9	23 Å²	23	4%	0.044	12%	0.118	C	C	.	.	H	α-helix	trans	-76.3	-54.4	-174.1	-177.5	151.2	48.3	0	0	111.7	R229 V232 G256 L260 Q261 W262 H341	R229-M258 HydrophobicContact CB-SD 4.45Å; R229-M258 HydrophobicContact CG-SD 4.02Å; V232-M258 HydrophobicContact CB-SD 4.21Å; V232-M258 HydrophobicContact CG1-SD 3.89Å; G256-M258 PolarHBondContact O-N 2.89Å; M258-L260 VanDerWaalsContact C-N 3.26Å; M258-L260 PolarHBondContact O-N 3.25Å; M258-Q261 WeakPolarHBondContact O-CB 3.49Å; M258-Q261 PolarHBondContact O-N 2.83Å; M258-Q261 VanDerWaalsContact O-N 3.14Å; M258-W262 HydrophobicContact CG-CD2 4.47Å; M258-W262 HydrophobicContact CG-CH2 4.32Å; M258-W262 HydrophobicContact CG-CZ2 3.41Å; M258-W262 VanDerWaalsContact CG-CZ2 3.41Å; M258-W262 VanDerWaalsContact O-CG 3.3Å; M258-W262 PolarHBondContact O-N 3.41Å; M258-W262 HydrophobicContact SD-CZ2 3.98Å; M258-H341 WeakPolarHBondContact CE-CD2 3.41Å; M258-H341 WeakPolarHBondContact CE-NE2 3.18Å
259	G	96.4	Very high	94.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.7	-36.6	172.9	0	0	0	0	0	113.7	D250 G256 W262 A263	D250-G259 PolarHBondContact OD2-N 2.87Å; G256-G259 PolarHBondContact O-N 2.67Å; G259-W262 PolarHBondContact O-N 3.1Å; G259-A263 PolarHBondContact O-N 3.48Å
260	L	96.6	Very high	94.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-42.1	175.2	-69.4	170.3	0	0	0	112.1	T203 V205 G256 M258 W262 A263 K264 I274 N288 C289 I294	T203-L260 HydrophobicContact CG2-CB 3.83Å; V205-L260 HydrophobicContact CG1-CD1 4.09Å; G256-L260 VanDerWaalsContact O-CB 3.28Å; G256-L260 WeakPolarHBondContact O-CB 3.49Å; G256-L260 WeakPolarHBondContact O-CD1 3.4Å; G256-L260 WeakPolarHBondContact O-CG 3.38Å; G256-L260 PolarHBondContact O-N 3Å; M258-L260 VanDerWaalsContact C-N 3.26Å; M258-L260 PolarHBondContact O-N 3.25Å; L260-W262 VanDerWaalsContact C-N 3.34Å; L260-A263 PolarHBondContact O-N 3.07Å; L260-K264 WeakPolarHBondContact O-CB 3.38Å; L260-K264 PolarHBondContact O-N 2.93Å; L260-I274 HydrophobicContact CG-CD1 4.23Å; L260-N288 HydrophobicContact CD1-CB 3.62Å; L260-C289 HydrophobicContact CD2-CB 4.36Å; L260-C289 VanDerWaalsContact CD2-SG 3.57Å; L260-I294 HydrophobicContact CD2-CD1 3.83Å
261	Q	96.1	Very high	94.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-60.7	-43.6	173.4	-77.7	171.7	0.7	0	0	111.3	E200 L201 T203 F233 I257 M258 K264 H265	E200-Q261 PolarHBondContact O-NE2 2.86Å; E200-Q261 PolarHBondContact OE1-NE2 3.02Å; L201-Q261 HydrophobicContact CB-CG 4.46Å; L201-Q261 HydrophobicContact CD2-CG 4.45Å; T203-Q261 HydrophobicContact CG2-CG 4.48Å; F233-Q261 HydrophobicContact CD2-CB 4.42Å; I257-Q261 HydrophobicContact CD1-CG 4.3Å; I257-Q261 WeakPolarHBondContact O-CB 3.34Å; I257-Q261 VanDerWaalsContact O-CG 3.22Å; I257-Q261 WeakPolarHBondContact O-CG 3.45Å; I257-Q261 PolarHBondContact O-N 3.38Å; M258-Q261 WeakPolarHBondContact O-CB 3.49Å; M258-Q261 PolarHBondContact O-N 2.83Å; M258-Q261 VanDerWaalsContact O-N 3.14Å; Q261-K264 PolarHBondContact O-N 3.06Å; Q261-H265 WeakPolarHBondContact O-CB 3.21Å; Q261-H265 PolarHBondContact O-CD2 3.47Å; Q261-H265 PolarHBondContact O-N 3.26Å; Q261-H265 VanDerWaalsContact O-N 3.1Å
262	W	96.8	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-51.7	177	-56.9	-12.8	0	0	0	111.2	V232 F233 L236 C248 D250 M258 G259 L260 K264 L266 V272 Y339 H341	V232-W262 HydrophobicContact CG1-CZ2 3.74Å; F233-W262 AromaticContact CD2-CD1 3.81Å; L236-W262 HydrophobicContact CD2-CB 3.85Å; L236-W262 HydrophobicContact CD2-CD2 3.46Å; L236-W262 VanDerWaalsContact CD2-CD2 3.46Å; L236-W262 HydrophobicContact CD2-CE3 3.85Å; L236-W262 HydrophobicContact CD2-CG 3.46Å; L236-W262 VanDerWaalsContact CD2-CG 3.46Å; C248-W262 HydrophobicContact CB-CE3 4.19Å; C248-W262 HydrophobicContact CB-CZ3 4.26Å; D250-W262 HydrophobicContact CB-CH2 4.03Å; D250-W262 HydrophobicContact CB-CZ3 3.83Å; M258-W262 HydrophobicContact CG-CD2 4.47Å; M258-W262 HydrophobicContact CG-CH2 4.32Å; M258-W262 HydrophobicContact CG-CZ2 3.41Å; M258-W262 VanDerWaalsContact CG-CZ2 3.41Å; M258-W262 VanDerWaalsContact O-CG 3.3Å; M258-W262 PolarHBondContact O-N 3.41Å; M258-W262 HydrophobicContact SD-CZ2 3.98Å; G259-W262 PolarHBondContact O-N 3.1Å; L260-W262 VanDerWaalsContact C-N 3.34Å; W262-K264 PolarHBondContact O-N 3.01Å; W262-L266 VanDerWaalsContact O-CB 3.24Å; W262-L266 WeakPolarHBondContact O-CB 3.34Å; W262-L266 PolarHBondContact O-N 2.98Å; W262-V272 HydrophobicContact CB-CG2 3.94Å; W262-V272 HydrophobicContact CE3-CG1 4.12Å; W262-Y339 HydrophobicContact CH2-CD1 4.23Å; W262-Y339 HydrophobicContact CH2-CE1 4.11Å; W262-Y339 HydrophobicContact CZ2-CE1 4.14Å; W262-H341 HydrophobicContact CH2-CB 3.61Å; W262-H341 HydrophobicContact CZ2-CB 4.06Å
263	A	95.5	Very high	94.8	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-44.1	-178.8	0	0	0	0	0	112.2	G259 L260 R267 V272 I294 A319 V321	G259-A263 PolarHBondContact O-N 3.48Å; L260-A263 PolarHBondContact O-N 3.07Å; A263-R267 WeakPolarHBondContact O-CA 3.36Å; A263-R267 PolarHBondContact O-N 3.42Å; A263-R267 VanDerWaalsContact O-N 3.09Å; A263-V272 HydrophobicContact CB-CB 4.36Å; A263-V272 HydrophobicContact CB-CG2 4.01Å; A263-I294 HydrophobicContact CB-CD1 4.45Å; A263-A319 HydrophobicContact CB-CB 3.98Å; A263-A319 WeakPolarHBondContact O-CB 3.32Å; A263-V321 HydrophobicContact CB-CG2 3.36Å
264	K	94.5	Very high	95.1	Very high	42 Å²	42	28.7 Å²	28.7	18%	0.183	14%	0.141	C	C	.	.	H	α-helix	trans	-65.9	-42.6	-176.6	-168.2	171.4	-165.9	165.9	0	113.1	G202 L260 Q261 W262 N292 I294 V318	G202-K264 PolarHBondContact O-NZ 2.84Å; L260-K264 WeakPolarHBondContact O-CB 3.38Å; L260-K264 PolarHBondContact O-N 2.93Å; Q261-K264 PolarHBondContact O-N 3.06Å; W262-K264 PolarHBondContact O-N 3.01Å; K264-N292 PolarHBondContact NZ-OD1 2.91Å; K264-I294 HydrophobicContact CB-CD1 4.29Å; K264-V318 HydrophobicContact CG-CG1 4.46Å
265	H	94.2	Very high	95.2	Very high	59 Å²	59	27.8 Å²	27.8	27%	0.273	13%	0.134	S	C	.	.	H	α-helix	trans	-96.4	-30.9	-171.1	-65.7	-64.6	0	0	0	113.9	L201 F233 Q261	L201-H265 PolarHBondContact O-CE1 3.3Å; L201-H265 PolarHBondContact O-NE2 3.25Å; F233-H265 HydrophobicContact CE2-CB 3.72Å; F233-H265 HydrophobicContact CZ-CB 3.59Å; Q261-H265 WeakPolarHBondContact O-CB 3.21Å; Q261-H265 PolarHBondContact O-CD2 3.47Å; Q261-H265 PolarHBondContact O-N 3.26Å; Q261-H265 VanDerWaalsContact O-N 3.1Å
266	L	94.3	Very high	95.2	Very high	15 Å²	15	28.7 Å²	28.7	8%	0.079	14%	0.139	C	C	.	.	H	α-helix	trans	-95.7	-15.1	179.5	-56.6	180	0	0	0	112.4	F233 L236 A237 W262 S268 T269 V270	F233-L266 HydrophobicContact CE1-CD2 4.35Å; F233-L266 HydrophobicContact CE2-CG 4.18Å; F233-L266 HydrophobicContact CZ-CD2 3.83Å; F233-L266 HydrophobicContact CZ-CG 3.96Å; L236-L266 HydrophobicContact CB-CD1 4.48Å; L236-L266 HydrophobicContact CD2-CD1 3.72Å; L236-L266 HydrophobicContact CG-CD1 3.66Å; A237-L266 HydrophobicContact CB-CD2 4.04Å; W262-L266 VanDerWaalsContact O-CB 3.24Å; W262-L266 WeakPolarHBondContact O-CB 3.34Å; W262-L266 PolarHBondContact O-N 2.98Å; L266-S268 PolarHBondContact O-N 3.4Å; L266-T269 WeakPolarHBondContact CB-OG1 3.29Å; L266-T269 WeakPolarHBondContact O-CB 3.07Å; L266-T269 PolarHBondContact O-N 3.24Å; L266-T269 VanDerWaalsContact O-N 3.15Å; L266-T269 PolarHBondContact O-OG1 3.39Å; L266-V270 HydrophobicContact CB-CG1 4.03Å; L266-V270 HydrophobicContact CB-CG2 3.67Å; L266-V270 HydrophobicContact CD1-CG1 3.92Å
267	R	91.3	Very high	95.2	Very high	161 Å²	161	34.2 Å²	34.2	61%	0.608	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	49.1	-129.6	171.8	-57.4	-177.2	-177.5	149.1	-1.6	112.4	A263 T269 V270	A263-R267 WeakPolarHBondContact O-CA 3.36Å; A263-R267 PolarHBondContact O-N 3.42Å; A263-R267 VanDerWaalsContact O-N 3.09Å; R267-T269 PolarHBondContact O-N 3.11Å; R267-V270 PolarHBondContact O-N 3.25Å; R267-V270 VanDerWaalsContact O-O 3.09Å
268	S	89.2	Confident	95	Very high	109 Å²	109	35 Å²	35	76%	0.762	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-64.6	-9.9	-175.5	54.6	0	0	0	0	114.8	L266 V270	L266-S268 PolarHBondContact O-N 3.4Å; S268-V270 VanDerWaalsContact C-N 3.25Å; S268-V270 PolarHBondContact O-N 2.74Å
269	T	93.3	Very high	94.9	Very high	38 Å²	38	38.9 Å²	38.9	23%	0.233	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-74.2	-18.1	176	67.9	0	0	0	0	112.7	P245 L246 L266 R267	P245-T269 WeakPolarHBondContact CA-O 3.46Å; L246-T269 PolarHBondContact N-O 3.34Å; L266-T269 WeakPolarHBondContact CB-OG1 3.29Å; L266-T269 WeakPolarHBondContact O-CB 3.07Å; L266-T269 PolarHBondContact O-N 3.24Å; L266-T269 VanDerWaalsContact O-N 3.15Å; L266-T269 PolarHBondContact O-OG1 3.39Å; R267-T269 PolarHBondContact O-N 3.11Å
270	V	95.4	Very high	94.6	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.7	-178	-61.4	0	0	0	0	111.8	L236 A240 L246 L266 R267 S268 V272	L236-V270 HydrophobicContact CD1-CG1 4.26Å; L236-V270 HydrophobicContact CD2-CG1 4.43Å; L236-V270 HydrophobicContact CG-CG1 4.46Å; A240-V270 HydrophobicContact CB-CG1 4.4Å; L246-V270 HydrophobicContact CB-CG1 4.4Å; L246-V270 HydrophobicContact CD1-CG1 4.48Å; L246-V270 CarbonylContact O-C 3.59Å; L266-V270 HydrophobicContact CB-CG1 4.03Å; L266-V270 HydrophobicContact CB-CG2 3.67Å; L266-V270 HydrophobicContact CD1-CG1 3.92Å; R267-V270 PolarHBondContact O-N 3.25Å; R267-V270 VanDerWaalsContact O-O 3.09Å; S268-V270 VanDerWaalsContact C-N 3.25Å; S268-V270 PolarHBondContact O-N 2.74Å; V270-V272 HydrophobicContact CB-CG2 4.27Å; V270-V272 HydrophobicContact CG2-CG2 3.74Å
271	R	96.2	Very high	94.4	Very high	120 Å²	120	42.1 Å²	42.1	45%	0.453	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	109.8	165.7	-73	179.7	-76.2	179.9	-1.2	107.4	L246 E247 C248	L246-R271 PolarHBondContact O-N 2.79Å; E247-R271 IonicContact OE1-CZ 2.74Å; E247-R271 IonicContact OE1-NE 3.05Å; E247-R271 PolarHBondContact OE1-NE 3.02Å; E247-R271 IonicContact OE1-NH1 2.94Å; E247-R271 PolarHBondContact OE1-NH1 3.45Å; E247-R271 IonicContact OE1-NH2 3.11Å; E247-R271 PolarHBondContact OE1-NH2 2.97Å; E247-R271 VanDerWaalsContact OE1-NH2 3.11Å; C248-R271 PolarHBondContact N-O 3.41Å
272	V	97.5	Very high	94.3	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.7	-172	-177.5	0	0	0	0	110.5	W262 A263 V270 I274 V321 E322	W262-V272 HydrophobicContact CB-CG2 3.94Å; W262-V272 HydrophobicContact CE3-CG1 4.12Å; A263-V272 HydrophobicContact CB-CB 4.36Å; A263-V272 HydrophobicContact CB-CG2 4.01Å; V270-V272 HydrophobicContact CB-CG2 4.27Å; V270-V272 HydrophobicContact CG2-CG2 3.74Å; V272-I274 HydrophobicContact CG1-CG1 3.94Å; V272-V321 HydrophobicContact CB-CG2 4.31Å; V272-V321 HydrophobicContact CG1-CG1 4.42Å; V272-E322 PolarHBondContact O-N 3.41Å
273	T	97.7	Very high	94.1	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.1	169.4	-44.4	0	0	0	0	108.6	C248 L249 D250 T275 E322 I331 R335	C248-T273 PolarHBondContact O-N 2.85Å; C248-T273 PolarHBondContact O-OG1 2.79Å; L249-T273 HydrophobicContact CD1-CG2 4.12Å; D250-T273 PolarHBondContact N-O 2.77Å; T273-T275 HydrophobicContact CG2-CG2 4.12Å; T273-E322 CarbonylContact C-O 3.53Å; T273-E322 WeakPolarHBondContact CA-O 3.45Å; T273-E322 HydrophobicContact CG2-CB 4.27Å; T273-E322 HydrophobicContact CG2-CG 4.28Å; T273-I331 HydrophobicContact CG2-CD1 3.65Å; T273-R335 VanDerWaalsContact CG2-NH2 3.33Å; T273-R335 PolarHBondContact OG1-NH2 2.95Å
274	I	97.6	Very high	94	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.7	174.2	-51.3	-179.2	0	0	0	107.9	D250 L260 V272 I285 V321 E322 V323 A324	D250-I274 HydrophobicContact CB-CG1 4.34Å; D250-I274 HydrophobicContact CB-CG2 4.44Å; L260-I274 HydrophobicContact CG-CD1 4.23Å; V272-I274 HydrophobicContact CG1-CG1 3.94Å; I274-I285 HydrophobicContact CB-CG2 4.3Å; I274-I285 HydrophobicContact CD1-CG2 4.17Å; I274-I285 HydrophobicContact CG2-CD1 3.76Å; I274-I285 HydrophobicContact CG2-CG1 4.34Å; I274-I285 HydrophobicContact CG2-CG2 4.1Å; I274-V321 HydrophobicContact CB-CG1 4.48Å; I274-V321 HydrophobicContact CD1-CG1 3.72Å; I274-V321 HydrophobicContact CG1-CG1 3.71Å; I274-E322 PolarHBondContact N-O 3.23Å; I274-V323 WeakPolarHBondContact O-CA 3.18Å; I274-A324 PolarHBondContact O-N 2.82Å
275	T	96.1	Very high	94.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145	178.8	60.6	0	0	0	0	112.9	L249 D250 A251 G253 T273 A324 I331	L249-T275 HydrophobicContact CD1-CG2 3.94Å; D250-T275 PolarHBondContact O-N 3.26Å; D250-T275 PolarHBondContact O-OG1 2.91Å; A251-T275 CarbonylContact C-O 3.58Å; A251-T275 WeakPolarHBondContact CA-OG1 3.26Å; A251-T275 PolarHBondContact O-OG1 3.33Å; G253-T275 PolarHBondContact N-O 2.91Å; T273-T275 HydrophobicContact CG2-CG2 4.12Å; T275-A324 WeakPolarHBondContact CA-O 3.3Å; T275-A324 HydrophobicContact CG2-CB 4.13Å; T275-I331 HydrophobicContact CG2-CB 4.47Å; T275-I331 HydrophobicContact CG2-CD1 3.35Å; T275-I331 HydrophobicContact CG2-CG1 4.47Å; T275-I331 HydrophobicContact CG2-CG2 4.15Å
276	D	95.5	Very high	94.1	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.112	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.6	165.6	-154.8	-67.3	0	0	0	109.4	A254 S278 C281 V282 I285 A324 K325 M326	A254-D276 VanDerWaalsContact CA-OD2 3.29Å; A254-D276 WeakPolarHBondContact CA-OD2 3.24Å; A254-D276 PolarHBondContact N-OD2 2.94Å; D276-S278 WeakPolarHBondContact OD1-CB 3.49Å; D276-S278 PolarHBondContact OD1-N 3.43Å; D276-C281 HydrophobicContact CB-CB 3.73Å; D276-V282 HydrophobicContact CB-CG2 4.06Å; D276-I285 HydrophobicContact CB-CD1 4.31Å; D276-A324 PolarHBondContact N-O 3.01Å; D276-K325 WeakPolarHBondContact O-CA 3.42Å; D276-M326 PolarHBondContact O-N 2.65Å; D276-M326 VanDerWaalsContact O-N 3.1Å
277	I	93.7	Very high	94.1	Very high	116 Å²	116	49.1 Å²	49.1	60%	0.595	24%	0.242	S	C	*	.	S	Bend	trans	-82	-27.5	176.5	-164.5	169.2	0	0	0	111.3
278	S	92.4	Very high	94.3	Very high	28 Å²	28	41.5 Å²	41.5	20%	0.196	21%	0.213	C	C	.	.			trans	-80.9	130.8	-178.1	177.6	0	0	0	0	111.6	D276 T280 C281 V282	D276-S278 WeakPolarHBondContact OD1-CB 3.49Å; D276-S278 PolarHBondContact OD1-N 3.43Å; S278-T280 VanDerWaalsContact C-N 3.31Å; S278-T280 PolarHBondContact O-N 3.3Å; S278-T280 PolarHBondContact OG-N 2.83Å; S278-C281 PolarHBondContact O-N 2.79Å; S278-V282 WeakPolarHBondContact O-CG2 3.43Å; S278-V282 PolarHBondContact O-N 2.92Å; S278-V282 VanDerWaalsContact O-N 3.08Å
279	D	91.9	Very high	94.6	Very high	90 Å²	90	36.3 Å²	36.3	48%	0.481	18%	0.176	S	C	.	.	H	α-helix	trans	-61.9	-41	175.6	-157.7	78.2	0	0	0	111.9	C281 V282 K283 K325	D279-C281 PolarHBondContact O-N 3.39Å; D279-V282 PolarHBondContact O-N 3.47Å; D279-K283 WeakPolarHBondContact O-CB 3.4Å; D279-K283 PolarHBondContact O-N 2.82Å; D279-K325 WeakPolarHBondContact OD1-CD 3.49Å; D279-K325 WeakPolarHBondContact OD1-CE 3.35Å; D279-K325 IonicContact OD1-NZ 3.72Å; D279-K325 PolarHBondContact OD1-NZ 3.08Å
280	T	91.3	Very high	94.5	Very high	60 Å²	60	41.4 Å²	41.4	37%	0.368	20%	0.198	S	C	.	.	H	α-helix	trans	-58.6	-45.8	176.7	-44.3	0	0	0	0	111.6	S217 T219 S278 K283 M284	S217-T280 WeakPolarHBondContact O-CB 3.31Å; S217-T280 PolarHBondContact O-OG1 2.8Å; S217-T280 VanDerWaalsContact O-OG1 3.1Å; T219-T280 HydrophobicContact CG2-CG2 4.15Å; S278-T280 VanDerWaalsContact C-N 3.31Å; S278-T280 PolarHBondContact O-N 3.3Å; S278-T280 PolarHBondContact OG-N 2.83Å; T280-K283 PolarHBondContact O-N 2.84Å; T280-M284 WeakPolarHBondContact O-CB 3.3Å; T280-M284 PolarHBondContact O-N 3.34Å
281	C	92.6	Very high	94.4	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.054	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-47.2	177.3	-68	0	0	0	0	110.7	A254 D276 S278 D279 K283 M284 I285	A254-C281 WeakPolarHBondContact O-CA 3.25Å; A254-C281 VanDerWaalsContact O-CB 3.3Å; A254-C281 WeakPolarHBondContact O-CB 3.49Å; D276-C281 HydrophobicContact CB-CB 3.73Å; S278-C281 PolarHBondContact O-N 2.79Å; D279-C281 PolarHBondContact O-N 3.39Å; C281-K283 VanDerWaalsContact C-N 3.34Å; C281-K283 PolarHBondContact O-N 2.89Å; C281-M284 PolarHBondContact O-N 2.84Å; C281-I285 WeakPolarHBondContact O-CD1 3.44Å; C281-I285 WeakPolarHBondContact O-CG1 3.27Å; C281-I285 PolarHBondContact O-N 3.08Å
282	V	93.9	Very high	94.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-41.4	179.8	169.6	0	0	0	0	111.9	D276 S278 D279 I285 R286 V323 K325	D276-V282 HydrophobicContact CB-CG2 4.06Å; S278-V282 WeakPolarHBondContact O-CG2 3.43Å; S278-V282 PolarHBondContact O-N 2.92Å; S278-V282 VanDerWaalsContact O-N 3.08Å; D279-V282 PolarHBondContact O-N 3.47Å; V282-I285 PolarHBondContact O-N 2.75Å; V282-R286 WeakPolarHBondContact O-CG 3.35Å; V282-R286 PolarHBondContact O-N 3.16Å; V282-V323 HydrophobicContact CG1-CG1 4Å; V282-K325 HydrophobicContact CG1-CB 4.38Å; V282-K325 HydrophobicContact CG2-CB 3.92Å; V282-K325 HydrophobicContact CG2-CG 4.25Å
283	K	93	Very high	94.1	Very high	109 Å²	109	43.1 Å²	43.1	47%	0.474	22%	0.215	S	C	.	.	H	α-helix	trans	-60.6	-49.8	173.5	-175.9	179.6	174.9	-177.3	0	111	D279 T280 C281 I285 R286 E287	D279-K283 WeakPolarHBondContact O-CB 3.4Å; D279-K283 PolarHBondContact O-N 2.82Å; T280-K283 PolarHBondContact O-N 2.84Å; C281-K283 VanDerWaalsContact C-N 3.34Å; C281-K283 PolarHBondContact O-N 2.89Å; K283-I285 VanDerWaalsContact C-N 3.33Å; K283-I285 PolarHBondContact O-N 3.37Å; K283-R286 WeakPolarHBondContact O-CB 3.48Å; K283-R286 PolarHBondContact O-N 2.85Å; K283-R286 VanDerWaalsContact O-N 3.12Å; K283-E287 WeakPolarHBondContact CE-OE1 3.27Å; K283-E287 PolarHBondContact O-N 2.91Å
284	M	93.4	Very high	93.8	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-38.1	178.1	-178.3	175.6	-68.8	0	0	112.7	Y195 Q206 L208 T219 T255 T280 C281 R286 E287 N288	Y195-M284 HydrophobicContact CE1-CE 4.19Å; Q206-M284 VanDerWaalsContact O-SD 3.38Å; L208-M284 HydrophobicContact CD1-CE 4.33Å; L208-M284 HydrophobicContact CG-CE 4.01Å; T219-M284 HydrophobicContact CG2-CB 4.12Å; T219-M284 HydrophobicContact CG2-CE 3.5Å; T219-M284 VanDerWaalsContact CG2-CE 3.5Å; T219-M284 HydrophobicContact CG2-CG 4.45Å; T219-M284 HydrophobicContact CG2-SD 3.51Å; T219-M284 VanDerWaalsContact CG2-SD 3.51Å; T219-M284 WeakPolarHBondContact OG1-CE 3.48Å; T219-M284 PolarHBondContact OG1-SD 3.47Å; T219-M284 VanDerWaalsContact OG1-SD 3.39Å; T255-M284 HydrophobicContact CG2-SD 3.86Å; T280-M284 WeakPolarHBondContact O-CB 3.3Å; T280-M284 PolarHBondContact O-N 3.34Å; C281-M284 PolarHBondContact O-N 2.84Å; M284-R286 VanDerWaalsContact C-N 3.3Å; M284-R286 PolarHBondContact O-N 3.33Å; M284-E287 PolarHBondContact O-N 3.32Å; M284-N288 WeakPolarHBondContact O-CB 3.49Å; M284-N288 VanDerWaalsContact O-CG 3.31Å; M284-N288 PolarHBondContact O-N 3.49Å; M284-N288 PolarHBondContact O-ND2 3.48Å
285	I	95.3	Very high	93.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-43.1	175.8	-69.3	158.3	0	0	0	110	I274 D276 C281 V282 K283 N288 C289 V323	I274-I285 HydrophobicContact CB-CG2 4.3Å; I274-I285 HydrophobicContact CD1-CG2 4.17Å; I274-I285 HydrophobicContact CG2-CD1 3.76Å; I274-I285 HydrophobicContact CG2-CG1 4.34Å; I274-I285 HydrophobicContact CG2-CG2 4.1Å; D276-I285 HydrophobicContact CB-CD1 4.31Å; C281-I285 WeakPolarHBondContact O-CD1 3.44Å; C281-I285 WeakPolarHBondContact O-CG1 3.27Å; C281-I285 PolarHBondContact O-N 3.08Å; V282-I285 PolarHBondContact O-N 2.75Å; K283-I285 VanDerWaalsContact C-N 3.33Å; K283-I285 PolarHBondContact O-N 3.37Å; I285-N288 PolarHBondContact O-N 3.12Å; I285-C289 PolarHBondContact O-N 2.67Å; I285-C289 PolarHBondContact O-SG 3.21Å; I285-V323 HydrophobicContact CB-CG1 4.15Å; I285-V323 HydrophobicContact CG2-CB 4.43Å; I285-V323 HydrophobicContact CG2-CG1 3.73Å; I285-V323 HydrophobicContact CG2-CG2 3.76Å
286	R	95.1	Very high	93.2	Very high	98 Å²	98	52.7 Å²	52.7	37%	0.37	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-41.8	177.6	-66.6	-177.8	-166.5	120.3	-0.8	112.3	V282 K283 M284 N288 C289 Q290 A296 V323	V282-R286 WeakPolarHBondContact O-CG 3.35Å; V282-R286 PolarHBondContact O-N 3.16Å; K283-R286 WeakPolarHBondContact O-CB 3.48Å; K283-R286 PolarHBondContact O-N 2.85Å; K283-R286 VanDerWaalsContact O-N 3.12Å; M284-R286 VanDerWaalsContact C-N 3.3Å; M284-R286 PolarHBondContact O-N 3.33Å; R286-N288 VanDerWaalsContact C-N 3.34Å; R286-C289 WeakPolarHBondContact O-CB 3.42Å; R286-C289 PolarHBondContact O-N 3.44Å; R286-Q290 PolarHBondContact O-N 3.11Å; R286-Q290 VanDerWaalsContact O-N 3.16Å; R286-A296 HydrophobicContact CG-CB 4.37Å; R286-V323 HydrophobicContact CG-CB 4.35Å; R286-V323 HydrophobicContact CG-CG1 4.17Å; R286-V323 HydrophobicContact CG-CG2 4.46Å
287	E	93.9	Very high	92.7	Very high	52 Å²	52	55.7 Å²	55.7	24%	0.243	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-44.5	174.1	-69.1	167.2	177.4	0	0	110.4	K283 M284 C289 Q290 L291	K283-E287 WeakPolarHBondContact CE-OE1 3.27Å; K283-E287 PolarHBondContact O-N 2.91Å; M284-E287 PolarHBondContact O-N 3.32Å; E287-C289 VanDerWaalsContact C-N 3.33Å; E287-C289 PolarHBondContact O-N 3.1Å; E287-Q290 WeakPolarHBondContact O-CB 3.43Å; E287-Q290 PolarHBondContact O-N 3.3Å; E287-Q290 VanDerWaalsContact O-N 3.12Å; E287-L291 WeakPolarHBondContact O-CG 3.43Å; E287-L291 PolarHBondContact O-N 2.93Å
288	N	95.3	Very high	91.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-30.1	176	-73.3	-26.8	0	0	0	113.5	V205 Q206 T255 L260 M284 I285 R286 L291 N292	V205-N288 WeakPolarHBondContact CA-OD1 3.19Å; V205-N288 HydrophobicContact CG1-CB 4.37Å; Q206-N288 PolarHBondContact N-OD1 2.82Å; T255-N288 PolarHBondContact O-ND2 3.1Å; L260-N288 HydrophobicContact CD1-CB 3.62Å; M284-N288 WeakPolarHBondContact O-CB 3.49Å; M284-N288 VanDerWaalsContact O-CG 3.31Å; M284-N288 PolarHBondContact O-N 3.49Å; M284-N288 PolarHBondContact O-ND2 3.48Å; I285-N288 PolarHBondContact O-N 3.12Å; R286-N288 VanDerWaalsContact C-N 3.34Å; N288-L291 WeakPolarHBondContact OD1-CD1 3.41Å; N288-N292 PolarHBondContact O-N 3.4Å; N288-N292 PolarHBondContact O-ND2 3.27Å
289	C	94.8	Very high	89.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-48.5	168.9	-71.1	0	0	0	0	110.6	L260 I285 R286 E287 L291 N292 N293 I294 A296	L260-C289 HydrophobicContact CD2-CB 4.36Å; L260-C289 VanDerWaalsContact CD2-SG 3.57Å; I285-C289 PolarHBondContact O-N 2.67Å; I285-C289 PolarHBondContact O-SG 3.21Å; R286-C289 WeakPolarHBondContact O-CB 3.42Å; R286-C289 PolarHBondContact O-N 3.44Å; E287-C289 VanDerWaalsContact C-N 3.33Å; E287-C289 PolarHBondContact O-N 3.1Å; C289-L291 PolarHBondContact O-N 3.44Å; C289-N292 PolarHBondContact O-N 3.14Å; C289-N292 VanDerWaalsContact O-N 3.12Å; C289-N293 PolarHBondContact O-N 2.92Å; C289-I294 CarbonylContact C-O 3.58Å; C289-I294 HydrophobicContact CB-CB 4.29Å; C289-I294 HydrophobicContact CB-CG2 4.36Å; C289-I294 WeakPolarHBondContact CB-O 3.43Å; C289-I294 PolarHBondContact O-N 3.4Å; C289-A296 HydrophobicContact CB-CB 4.04Å
290	Q	92.9	Very high	86.8	Confident	145 Å²	145	54.7 Å²	54.7	68%	0.678	30%	0.301	S	S	*	.	H	α-helix	trans	-61.3	-43.6	179.5	-66.4	171.6	-4.6	0	0	111.7	R286 E287 N292 N293	R286-Q290 PolarHBondContact O-N 3.11Å; R286-Q290 VanDerWaalsContact O-N 3.16Å; E287-Q290 WeakPolarHBondContact O-CB 3.43Å; E287-Q290 PolarHBondContact O-N 3.3Å; E287-Q290 VanDerWaalsContact O-N 3.12Å; Q290-N292 PolarHBondContact O-N 3.18Å; Q290-N293 PolarHBondContact O-N 3Å
291	L	93	Very high	84.4	Confident	61 Å²	61	63.5 Å²	63.5	32%	0.319	33%	0.328	S	S	.	.	H	α-helix	trans	-59.5	-18.6	176.7	-66.9	173.7	0	0	0	114.7	Q206 E287 N288 C289	Q206-L291 HydrophobicContact CB-CD1 4.27Å; Q206-L291 VanDerWaalsContact CD-CD1 3.46Å; Q206-L291 HydrophobicContact CG-CD1 3.46Å; Q206-L291 VanDerWaalsContact CG-CD1 3.46Å; E287-L291 WeakPolarHBondContact O-CG 3.43Å; E287-L291 PolarHBondContact O-N 2.93Å; N288-L291 WeakPolarHBondContact OD1-CD1 3.41Å; C289-L291 PolarHBondContact O-N 3.44Å
292	N	93.4	Very high	81.5	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.021	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	9.9	179.7	-71.1	-82.1	0	0	0	113.3	T203 N204 K264 N288 C289 Q290 I294	T203-N292 WeakPolarHBondContact CA-OD1 3.47Å; N204-N292 PolarHBondContact N-OD1 3.08Å; N204-N292 PolarHBondContact O-ND2 3.42Å; K264-N292 PolarHBondContact NZ-OD1 2.91Å; N288-N292 PolarHBondContact O-N 3.4Å; N288-N292 PolarHBondContact O-ND2 3.27Å; C289-N292 PolarHBondContact O-N 3.14Å; C289-N292 VanDerWaalsContact O-N 3.12Å; Q290-N292 PolarHBondContact O-N 3.18Å; N292-I294 HydrophobicContact CB-CD1 3.86Å; N292-I294 HydrophobicContact CB-CG1 4.07Å; N292-I294 PolarHBondContact O-N 2.88Å
293	N	92.6	Very high	78.9	Confident	104 Å²	104	72 Å²	72	56%	0.556	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	39.6	-173.6	-56.6	-32.8	0	0	0	112.3	C289 Q290 V318	C289-N293 PolarHBondContact O-N 2.92Å; Q290-N293 PolarHBondContact O-N 3Å; N293-V318 HydrophobicContact CB-CG2 4.1Å; N293-V318 PolarHBondContact O-N 3.39Å
294	I	93.1	Very high	76.3	Confident	6 Å²	6	79 Å²	79	3%	0.031	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.8	176.8	-66	172.6	0	0	0	108.4	L260 A263 K264 C289 N292 A296 A319 V321	L260-I294 HydrophobicContact CD2-CD1 3.83Å; A263-I294 HydrophobicContact CB-CD1 4.45Å; K264-I294 HydrophobicContact CB-CD1 4.29Å; C289-I294 CarbonylContact C-O 3.58Å; C289-I294 HydrophobicContact CB-CB 4.29Å; C289-I294 HydrophobicContact CB-CG2 4.36Å; C289-I294 WeakPolarHBondContact CB-O 3.43Å; C289-I294 PolarHBondContact O-N 3.4Å; N292-I294 HydrophobicContact CB-CD1 3.86Å; N292-I294 HydrophobicContact CB-CG1 4.07Å; N292-I294 PolarHBondContact O-N 2.88Å; I294-A296 PolarHBondContact O-N 2.9Å; I294-A319 HydrophobicContact CG1-CB 4.49Å; I294-V321 HydrophobicContact CG2-CB 4.03Å; I294-V321 HydrophobicContact CG2-CG2 3.5Å
295	R	91.8	Very high	73.4	Confident	159 Å²	159	81.4 Å²	81.4	60%	0.6	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	119.5	177.4	-179	177.2	178.5	178.2	2.2	109.8	P317 A319 T320 V321	R295-P317 HydrophobicContact CB-CB 3.92Å; R295-P317 HydrophobicContact CB-CG 4.21Å; R295-A319 PolarHBondContact N-O 2.74Å; R295-T320 HydrophobicContact CB-CG2 4.21Å; R295-T320 CarbonylContact O-C 3.54Å; R295-T320 WeakPolarHBondContact O-CA 3.09Å; R295-V321 PolarHBondContact O-N 3.39Å
296	A	88.6	Confident	70.8	Confident	38 Å²	38	87.5 Å²	87.5	31%	0.314	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.1	172.9	0	0	0	0	0	110.3	R286 C289 I294 V321 V323	R286-A296 HydrophobicContact CG-CB 4.37Å; C289-A296 HydrophobicContact CB-CB 4.04Å; I294-A296 PolarHBondContact O-N 2.9Å; A296-V321 CarbonylContact C-O 3.56Å; A296-V321 WeakPolarHBondContact CA-O 3.37Å; A296-V323 HydrophobicContact CB-CG2 4.06Å
297	D	84.8	Confident	68.2	Low	84 Å²	84	90.7 Å²	90.7	45%	0.449	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.7	171.1	-159.6	12.5	0	0	0	109.5	V321 V323	D297-V321 PolarHBondContact N-O 3.42Å; D297-V323 PolarHBondContact O-N 3.36Å; D297-V323 VanDerWaalsContact O-N 3.13Å
298	G	62.6	Low	65.4	Low	40 Å²	40	100.1 Å²	100.1	41%	0.412	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.8	172.9	0	0	0	0	0	107.7	S300	G298-S300 PolarHBondContact O-N 2.94Å
299	G	53.1	Low	62.9	Low	57 Å²	57	105.1 Å²	105.1	59%	0.588	58%	0.582	S	S	*	*	S	Bend	trans	-55.5	16.9	-168.1	0	0	0	0	0	119.9	R301	G299-R301 PolarHBondContact O-N 3.04Å
300	S	39	Very low	60.1	Low	117 Å²	117	108.6 Å²	108.6	82%	0.818	62%	0.617	S	S	*	*			trans	-84.4	90.9	164.5	-90.5	0	0	0	0	110.7	G298 G302	G298-S300 PolarHBondContact O-N 2.94Å; S300-G302 PolarHBondContact O-N 3.06Å
301	R	39.4	Very low	57.2	Low	245 Å²	245	107.5 Å²	107.5	93%	0.925	62%	0.624	S	S	*	*			trans	-68.8	83.9	157.6	-78.5	-174.6	177.7	178.2	1	109.3	G299	G299-R301 PolarHBondContact O-N 3.04Å
302	G	32.3	Very low	54.4	Low	53 Å²	53	112 Å²	112	55%	0.546	64%	0.643	S	S	.	*			trans	-72.1	160.9	156.4	0	0	0	0	0	110.7	S300 R304	S300-G302 PolarHBondContact O-N 3.06Å; G302-R304 PolarHBondContact O-N 2.98Å
303	P	39.2	Very low	52	Low	133 Å²	133	117.6 Å²	117.6	86%	0.864	68%	0.68	S	S	*	*			trans	-59	134.4	177.8	-15	27.9	0	0	0	110	G305	P303-G305 PolarHBondContact O-N 3.26Å
304	R	38.9	Very low	50.1	Low	256 Å²	256	121.1 Å²	121.1	97%	0.966	69%	0.693	S	S	*	*			trans	-55.3	102.7	171.9	-82.8	179.5	174.2	165	-3.9	109.5	G302	G302-R304 PolarHBondContact O-N 2.98Å
305	G	32.6	Very low	48.3	Very low	58 Å²	58	126.6 Å²	126.6	60%	0.598	73%	0.727	S	S	*	*			trans	-75.3	156.6	159.7	0	0	0	0	0	110.2	P303	P303-G305 PolarHBondContact O-N 3.26Å
306	P	40.6	Very low	47.1	Very low	128 Å²	128	123.1 Å²	123.1	83%	0.831	73%	0.732	S	S	*	*			trans	-68.5	143.2	-175.2	29.4	-32.6	0	0	0	110.9	R308	P306-R308 PolarHBondContact O-N 3.35Å
307	D	40	Very low	46.5	Very low	165 Å²	165	124.7 Å²	124.7	88%	0.882	74%	0.739	S	S	*	*			trans	-47.8	115.4	179.9	-67.5	-47.5	0	0	0	111.9	A309	D307-A309 PolarHBondContact O-N 3.03Å
308	R	36.2	Very low	46.2	Very low	249 Å²	249	123.5 Å²	123.5	94%	0.94	74%	0.735	S	S	*	*			trans	-77.7	98	160.1	-85.3	-171.7	175.4	-174.7	-0.8	107.9	P306 G310	P306-R308 PolarHBondContact O-N 3.35Å; R308-G310 PolarHBondContact O-N 3.35Å
309	A	41.9	Very low	47.5	Very low	106 Å²	106	122.2 Å²	122.2	88%	0.876	72%	0.721	S	S	*	*			trans	-60.3	123.4	161.8	0	0	0	0	0	109.6	D307	D307-A309 PolarHBondContact O-N 3.03Å
310	G	36.8	Very low	49.2	Very low	72 Å²	72	123.8 Å²	123.8	74%	0.742	72%	0.719	S	S	*	*			trans	-174.6	95.2	176.7	0	0	0	0	0	113.1	R308	R308-G310 PolarHBondContact O-N 3.35Å
311	C	30.5	Very low	51.9	Low	122 Å²	122	118.3 Å²	118.3	82%	0.824	68%	0.68	S	S	*	*			trans	53.3	139.3	154.8	-68.6	0	0	0	0	124.2
312	E	35.5	Very low	54.6	Low	156 Å²	156	109 Å²	109	73%	0.729	65%	0.648	S	S	*	*			trans	90	135.9	168.1	-57.5	-56.8	130.1	0	0	117.8	E314	E312-E314 PolarHBondContact O-N 3.5Å
313	P	43.2	Very low	57.7	Low	122 Å²	122	106.6 Å²	106.6	79%	0.792	62%	0.622	S	S	*	*			trans	-77.2	68.4	178.5	34.4	-32.2	0	0	0	109	T315	P313-T315 PolarHBondContact O-N 3.21Å
314	E	51.3	Low	60.4	Low	177 Å²	177	101.1 Å²	101.1	83%	0.827	59%	0.588	S	S	*	*			trans	-65	118.6	168.2	-72.4	-161.4	158.9	0	0	108.1	E312 A316	E312-E314 PolarHBondContact O-N 3.5Å; E314-A316 PolarHBondContact O-N 3.43Å
315	T	56.4	Low	63	Low	122 Å²	122	94.4 Å²	94.4	75%	0.748	57%	0.565	S	S	*	*			trans	-41	118.9	170.1	18	0	0	0	0	109.7	P313	P313-T315 PolarHBondContact O-N 3.21Å
316	A	66.9	Low	66	Low	85 Å²	85	94.1 Å²	94.1	70%	0.702	55%	0.549	S	S	*	.			trans	-50.2	135.8	-178.3	0	0	0	0	0	110.5	E314 V318	E314-A316 PolarHBondContact O-N 3.43Å; A316-V318 PolarHBondContact O-N 2.69Å
317	P	75.8	Confident	68.6	Low	72 Å²	72	90.6 Å²	90.6	47%	0.468	52%	0.524	S	S	.	.			trans	-59.2	138.5	-175.5	23.3	-33	0	0	0	110.5	R295 A319	R295-P317 HydrophobicContact CB-CB 3.92Å; R295-P317 HydrophobicContact CB-CG 4.21Å; P317-A319 VanDerWaalsContact C-N 3.25Å; P317-A319 PolarHBondContact O-N 3.09Å
318	V	78.8	Confident	71.3	Confident	59 Å²	59	83 Å²	83	36%	0.358	48%	0.483	S	S	.	.	S	Bend	trans	-63.6	-34.9	-175.7	177.9	0	0	0	0	111.4	K264 N293 A316	K264-V318 HydrophobicContact CG-CG1 4.46Å; N293-V318 HydrophobicContact CB-CG2 4.1Å; N293-V318 PolarHBondContact O-N 3.39Å; A316-V318 PolarHBondContact O-N 2.69Å
319	A	88.4	Confident	74.2	Confident	13 Å²	13	73.1 Å²	73.1	11%	0.107	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	167.6	177.6	0	0	0	0	0	110.8	A263 I294 R295 P317	A263-A319 HydrophobicContact CB-CB 3.98Å; A263-A319 WeakPolarHBondContact O-CB 3.32Å; I294-A319 HydrophobicContact CG1-CB 4.49Å; R295-A319 PolarHBondContact N-O 2.74Å; P317-A319 VanDerWaalsContact C-N 3.25Å; P317-A319 PolarHBondContact O-N 3.09Å
320	T	90.4	Very high	76.8	Confident	90 Å²	90	71.3 Å²	71.3	55%	0.552	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.9	172	54.1	0	0	0	0	110.1	R295	R295-T320 HydrophobicContact CB-CG2 4.21Å; R295-T320 CarbonylContact O-C 3.54Å; R295-T320 WeakPolarHBondContact O-CA 3.09Å
321	V	95.2	Very high	79.6	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.006	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.1	178.9	174.4	0	0	0	0	109.5	A263 V272 I274 I294 R295 A296 D297 V323	A263-V321 HydrophobicContact CB-CG2 3.36Å; V272-V321 HydrophobicContact CB-CG2 4.31Å; V272-V321 HydrophobicContact CG1-CG1 4.42Å; I274-V321 HydrophobicContact CB-CG1 4.48Å; I274-V321 HydrophobicContact CD1-CG1 3.72Å; I274-V321 HydrophobicContact CG1-CG1 3.71Å; I294-V321 HydrophobicContact CG2-CB 4.03Å; I294-V321 HydrophobicContact CG2-CG2 3.5Å; R295-V321 PolarHBondContact O-N 3.39Å; A296-V321 CarbonylContact C-O 3.56Å; A296-V321 WeakPolarHBondContact CA-O 3.37Å; D297-V321 PolarHBondContact N-O 3.42Å; V321-V323 HydrophobicContact CG1-CG2 4.14Å
322	E	96.4	Very high	82.8	Confident	51 Å²	51	62.4 Å²	62.4	24%	0.238	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.6	170.4	-176.6	179.9	159.3	0	0	109.3	V272 T273 I274 R335	V272-E322 PolarHBondContact O-N 3.41Å; T273-E322 CarbonylContact C-O 3.53Å; T273-E322 WeakPolarHBondContact CA-O 3.45Å; T273-E322 HydrophobicContact CG2-CB 4.27Å; T273-E322 HydrophobicContact CG2-CG 4.28Å; I274-E322 PolarHBondContact N-O 3.23Å; E322-R335 VanDerWaalsContact CD-NH1 3.35Å; E322-R335 VanDerWaalsContact CD-NH2 3.26Å; E322-R335 IonicContact OE1-CZ 2.92Å; E322-R335 IonicContact OE1-NH1 2.69Å; E322-R335 PolarHBondContact OE1-NH1 3.47Å; E322-R335 VanDerWaalsContact OE1-NH1 3.1Å; E322-R335 IonicContact OE1-NH2 3.54Å; E322-R335 PolarHBondContact OE1-NH2 3.01Å; E322-R335 IonicContact OE2-CZ 3.38Å; E322-R335 IonicContact OE2-NH1 3.21Å; E322-R335 PolarHBondContact OE2-NH1 3.41Å; E322-R335 IonicContact OE2-NH2 3.85Å; E322-R335 PolarHBondContact OE2-NH2 2.96Å
323	V	96.8	Very high	85.7	Confident	2 Å²	2	59 Å²	59	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.1	177.7	-173.8	0	0	0	0	109	I274 V282 I285 R286 A296 D297 V321	I274-V323 WeakPolarHBondContact O-CA 3.18Å; V282-V323 HydrophobicContact CG1-CG1 4Å; I285-V323 HydrophobicContact CB-CG1 4.15Å; I285-V323 HydrophobicContact CG2-CB 4.43Å; I285-V323 HydrophobicContact CG2-CG1 3.73Å; I285-V323 HydrophobicContact CG2-CG2 3.76Å; R286-V323 HydrophobicContact CG-CB 4.35Å; R286-V323 HydrophobicContact CG-CG1 4.17Å; R286-V323 HydrophobicContact CG-CG2 4.46Å; A296-V323 HydrophobicContact CB-CG2 4.06Å; D297-V323 PolarHBondContact O-N 3.36Å; D297-V323 VanDerWaalsContact O-N 3.13Å; V321-V323 HydrophobicContact CG1-CG2 4.14Å
324	A	94.9	Very high	88.2	Confident	17 Å²	17	59 Å²	59	14%	0.14	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.5	-176.7	0	0	0	0	0	112.4	I274 T275 D276 M326	I274-A324 PolarHBondContact O-N 2.82Å; T275-A324 WeakPolarHBondContact CA-O 3.3Å; T275-A324 HydrophobicContact CG2-CB 4.13Å; D276-A324 PolarHBondContact N-O 3.01Å; A324-M326 PolarHBondContact O-N 2.68Å
325	K	95.4	Very high	90.2	Very high	115 Å²	115	53.8 Å²	53.8	50%	0.5	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	96.7	171.1	-176.3	-176.4	178.5	177.2	0	108.9	D276 D279 V282	D276-K325 WeakPolarHBondContact O-CA 3.42Å; D279-K325 WeakPolarHBondContact OD1-CD 3.49Å; D279-K325 WeakPolarHBondContact OD1-CE 3.35Å; D279-K325 IonicContact OD1-NZ 3.72Å; D279-K325 PolarHBondContact OD1-NZ 3.08Å; V282-K325 HydrophobicContact CG1-CB 4.38Å; V282-K325 HydrophobicContact CG2-CB 3.92Å; V282-K325 HydrophobicContact CG2-CG 4.25Å
326	M	94.3	Very high	92.1	Very high	53 Å²	53	50.6 Å²	50.6	26%	0.261	29%	0.285	S	S	.	.	S	Bend	trans	-160.8	154.5	-176.8	-137.2	167.6	57.8	0	0	112	D276 A324 V330 I331 L334	D276-M326 PolarHBondContact O-N 2.65Å; D276-M326 VanDerWaalsContact O-N 3.1Å; A324-M326 PolarHBondContact O-N 2.68Å; M326-V330 HydrophobicContact CE-CB 3.97Å; M326-V330 HydrophobicContact CE-CG1 3.66Å; M326-V330 HydrophobicContact CG-CB 4.21Å; M326-V330 HydrophobicContact CG-CG1 4.13Å; M326-V330 HydrophobicContact SD-CB 4.35Å; M326-V330 HydrophobicContact SD-CG1 3.72Å; M326-I331 HydrophobicContact CE-CB 3.27Å; M326-I331 HydrophobicContact CE-CD1 4.32Å; M326-I331 HydrophobicContact CE-CG1 3.74Å; M326-L334 HydrophobicContact CE-CD1 3.62Å; M326-L334 HydrophobicContact CE-CG 4.38Å; M326-L334 HydrophobicContact SD-CD1 3.94Å
327	D	95.9	Very high	93.6	Very high	54 Å²	54	46.6 Å²	46.6	29%	0.289	25%	0.252	S	S	.	.			trans	-66.4	136.7	169.9	-174.4	-74.8	0	0	0	110.3	N329 V330 I331	D327-N329 PolarHBondContact O-N 3.05Å; D327-N329 WeakPolarHBondContact OD1-CA 3.48Å; D327-N329 WeakPolarHBondContact OD1-CB 3.47Å; D327-N329 PolarHBondContact OD1-N 3.1Å; D327-N329 PolarHBondContact OD1-ND2 3.03Å; D327-V330 HydrophobicContact CB-CG2 4.04Å; D327-V330 WeakPolarHBondContact O-CB 3.49Å; D327-V330 PolarHBondContact O-N 2.93Å; D327-I331 PolarHBondContact O-N 3.18Å
328	A	96	Very high	94.6	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-55.5	-37.2	-179	0	0	0	0	0	112.8	A251 F252 V330 I331 M332 Y351	A251-A328 HydrophobicContact CB-CB 4.01Å; F252-A328 HydrophobicContact CE1-CB 4.22Å; F252-A328 HydrophobicContact CE2-CB 4.3Å; F252-A328 HydrophobicContact CZ-CB 3.83Å; A328-V330 VanDerWaalsContact C-N 3.31Å; A328-V330 PolarHBondContact O-N 3.36Å; A328-I331 WeakPolarHBondContact O-CG2 3.49Å; A328-M332 HydrophobicContact CB-CE 4.25Å; A328-M332 WeakPolarHBondContact O-CE 3.29Å; A328-M332 VanDerWaalsContact O-CG 3.3Å; A328-M332 WeakPolarHBondContact O-CG 3.38Å; A328-M332 PolarHBondContact O-N 2.84Å; A328-Y351 HydrophobicContact CB-CD1 3.99Å; A328-Y351 HydrophobicContact CB-CE1 4.17Å
329	N	97.1	Very high	95.6	Very high	43 Å²	43	41 Å²	41	23%	0.23	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-40.5	176.1	-68.7	-57.7	0	0	0	111.5	D327 H333 N350 Y351 A354	D327-N329 PolarHBondContact O-N 3.05Å; D327-N329 WeakPolarHBondContact OD1-CA 3.48Å; D327-N329 WeakPolarHBondContact OD1-CB 3.47Å; D327-N329 PolarHBondContact OD1-N 3.1Å; D327-N329 PolarHBondContact OD1-ND2 3.03Å; N329-H333 PolarHBondContact O-N 3.3Å; N329-H333 PolarHBondContact O-ND1 3.2Å; N329-N350 PolarHBondContact OD1-O 3.26Å; N329-Y351 WeakPolarHBondContact ND2-CD1 3.38Å; N329-Y351 WeakPolarHBondContact OD1-CA 3.47Å; N329-A354 HydrophobicContact CB-CB 4.08Å; N329-A354 VanDerWaalsContact OD1-CB 3.24Å; N329-A354 WeakPolarHBondContact OD1-CB 3.4Å
330	V	96.9	Very high	96	Very high	68 Å²	68	40.5 Å²	40.5	41%	0.412	21%	0.212	S	C	.	.	H	α-helix	trans	-65.6	-48.6	-177.8	-179.6	0	0	0	0	109.7	M326 D327 A328 M332 H333 L334	M326-V330 HydrophobicContact CE-CB 3.97Å; M326-V330 HydrophobicContact CE-CG1 3.66Å; M326-V330 HydrophobicContact CG-CB 4.21Å; M326-V330 HydrophobicContact CG-CG1 4.13Å; M326-V330 HydrophobicContact SD-CB 4.35Å; M326-V330 HydrophobicContact SD-CG1 3.72Å; D327-V330 HydrophobicContact CB-CG2 4.04Å; D327-V330 WeakPolarHBondContact O-CB 3.49Å; D327-V330 PolarHBondContact O-N 2.93Å; A328-V330 VanDerWaalsContact C-N 3.31Å; A328-V330 PolarHBondContact O-N 3.36Å; V330-M332 VanDerWaalsContact C-N 3.31Å; V330-M332 PolarHBondContact O-N 3.21Å; V330-H333 PolarHBondContact O-N 3.35Å; V330-L334 HydrophobicContact CG1-CD1 4.28Å; V330-L334 HydrophobicContact CG1-CG 4.23Å; V330-L334 WeakPolarHBondContact O-CG 3.47Å; V330-L334 PolarHBondContact O-N 3.16Å
331	I	96.3	Very high	96.4	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-37.6	-175.6	-161.8	165	0	0	0	112.5	L249 T273 T275 M326 D327 A328 H333 L334 R335 F337	L249-I331 HydrophobicContact CD1-CD1 4.23Å; L249-I331 HydrophobicContact CD1-CG2 3.99Å; L249-I331 HydrophobicContact CD2-CG2 3.72Å; T273-I331 HydrophobicContact CG2-CD1 3.65Å; T275-I331 HydrophobicContact CG2-CB 4.47Å; T275-I331 HydrophobicContact CG2-CD1 3.35Å; T275-I331 HydrophobicContact CG2-CG1 4.47Å; T275-I331 HydrophobicContact CG2-CG2 4.15Å; M326-I331 HydrophobicContact CE-CB 3.27Å; M326-I331 HydrophobicContact CE-CD1 4.32Å; M326-I331 HydrophobicContact CE-CG1 3.74Å; D327-I331 PolarHBondContact O-N 3.18Å; A328-I331 WeakPolarHBondContact O-CG2 3.49Å; I331-H333 PolarHBondContact O-N 3.45Å; I331-L334 PolarHBondContact O-N 3.48Å; I331-R335 PolarHBondContact O-N 2.93Å; I331-F337 HydrophobicContact CD1-CZ 4.25Å; I331-F337 HydrophobicContact CG1-CE2 4.27Å; I331-F337 HydrophobicContact CG1-CZ 4.05Å
332	M	96.9	Very high	96.5	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-66.7	-24.4	176	-68.1	-173	-73.6	0	0	112.5	L249 A328 V330 I340 L342 A354 A355 N358	L249-M332 HydrophobicContact CD2-CG 3.54Å; L249-M332 HydrophobicContact CD2-SD 4.33Å; A328-M332 HydrophobicContact CB-CE 4.25Å; A328-M332 WeakPolarHBondContact O-CE 3.29Å; A328-M332 VanDerWaalsContact O-CG 3.3Å; A328-M332 WeakPolarHBondContact O-CG 3.38Å; A328-M332 PolarHBondContact O-N 2.84Å; V330-M332 VanDerWaalsContact C-N 3.31Å; V330-M332 PolarHBondContact O-N 3.21Å; M332-I340 HydrophobicContact SD-CD1 4.33Å; M332-I340 HydrophobicContact SD-CG2 3.82Å; M332-L342 HydrophobicContact CE-CD2 4Å; M332-L342 HydrophobicContact SD-CD2 4.02Å; M332-A354 HydrophobicContact CB-CB 4.14Å; M332-A354 HydrophobicContact CE-CB 3.73Å; M332-A355 HydrophobicContact CE-CB 4.44Å; M332-A355 WeakPolarHBondContact SD-CA 3.28Å; M332-A355 HydrophobicContact SD-CB 3.61Å; M332-N358 WeakPolarHBondContact O-CB 3.47Å; M332-N358 PolarHBondContact O-ND2 3.19Å
333	H	96.3	Very high	96.5	Very high	83 Å²	83	35.7 Å²	35.7	38%	0.384	18%	0.184	S	C	.	.	H	α-helix	trans	-84	-29.6	172.8	-76.4	97	0	0	0	113.6	N329 V330 I331 A354 N358	N329-H333 PolarHBondContact O-N 3.3Å; N329-H333 PolarHBondContact O-ND1 3.2Å; V330-H333 PolarHBondContact O-N 3.35Å; I331-H333 PolarHBondContact O-N 3.45Å; H333-A354 WeakPolarHBondContact CE1-CB 3.33Å; H333-N358 WeakPolarHBondContact CA-ND2 3.29Å; H333-N358 PolarHBondContact O-ND2 3.02Å
334	L	95.6	Very high	96.4	Very high	124 Å²	124	36 Å²	36	65%	0.649	19%	0.186	S	C	*	.	H	α-helix	trans	-71.9	-35.2	-178.6	-68.7	-172.7	0	0	0	113.1	M326 V330 I331	M326-L334 HydrophobicContact CE-CD1 3.62Å; M326-L334 HydrophobicContact CE-CG 4.38Å; M326-L334 HydrophobicContact SD-CD1 3.94Å; V330-L334 HydrophobicContact CG1-CD1 4.28Å; V330-L334 HydrophobicContact CG1-CG 4.23Å; V330-L334 WeakPolarHBondContact O-CG 3.47Å; V330-L334 PolarHBondContact O-N 3.16Å; I331-L334 PolarHBondContact O-N 3.48Å
335	R	94.1	Very high	96.1	Very high	67 Å²	67	42.2 Å²	42.2	25%	0.253	21%	0.21	S	C	.	.	S	Bend	trans	-152	156.5	-177.8	71.9	-175.8	-171.6	-166.1	4.7	114	T273 E322 I331 F337	T273-R335 VanDerWaalsContact CG2-NH2 3.33Å; T273-R335 PolarHBondContact OG1-NH2 2.95Å; E322-R335 VanDerWaalsContact CD-NH1 3.35Å; E322-R335 VanDerWaalsContact CD-NH2 3.26Å; E322-R335 IonicContact OE1-CZ 2.92Å; E322-R335 IonicContact OE1-NH1 2.69Å; E322-R335 PolarHBondContact OE1-NH1 3.47Å; E322-R335 VanDerWaalsContact OE1-NH1 3.1Å; E322-R335 IonicContact OE1-NH2 3.54Å; E322-R335 PolarHBondContact OE1-NH2 3.01Å; E322-R335 IonicContact OE2-CZ 3.38Å; E322-R335 IonicContact OE2-NH1 3.21Å; E322-R335 PolarHBondContact OE2-NH1 3.41Å; E322-R335 IonicContact OE2-NH2 3.85Å; E322-R335 PolarHBondContact OE2-NH2 2.96Å; I331-R335 PolarHBondContact O-N 2.93Å; R335-F337 HydrophobicContact CG-CE1 4.39Å; R335-F337 HydrophobicContact CG-CE2 3.73Å; R335-F337 HydrophobicContact CG-CZ 3.68Å; R335-F337 WeakPolarHBondContact O-CD2 3.23Å
336	P	96	Very high	95.8	Very high	55 Å²	55	37.7 Å²	37.7	36%	0.357	20%	0.196	S	C	.	.			trans	-80.9	146.2	177	31.4	-34.3	0	0	0	112.9	N358 R360	P336-N358 WeakPolarHBondContact CA-O 3.43Å; P336-N358 HydrophobicContact CB-CB 4.42Å; P336-N358 WeakPolarHBondContact CB-O 3.49Å; P336-R360 HydrophobicContact CB-CG 3.99Å; P336-R360 PolarHBondContact O-NH1 2.8Å; P336-R360 PolarHBondContact O-NH2 3.13Å
337	F	97.6	Very high	95.8	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.188	C	C	.	.			trans	-125.3	152	175.3	-64.4	-84	0	0	0	111.1	E247 L249 I331 R335 I340 R360	E247-F337 HydrophobicContact CB-CD1 4.09Å; L249-F337 HydrophobicContact CB-CD1 3.72Å; L249-F337 HydrophobicContact CB-CD2 4.15Å; L249-F337 HydrophobicContact CB-CE1 3.82Å; L249-F337 HydrophobicContact CB-CE2 4.24Å; L249-F337 HydrophobicContact CB-CG 3.88Å; L249-F337 HydrophobicContact CB-CZ 4.06Å; L249-F337 HydrophobicContact CD1-CE1 4.4Å; L249-F337 HydrophobicContact CD1-CZ 4.09Å; L249-F337 HydrophobicContact CD2-CD2 4.01Å; L249-F337 HydrophobicContact CD2-CE2 3.77Å; L249-F337 HydrophobicContact CD2-CZ 4.14Å; L249-F337 HydrophobicContact CG-CE2 4.41Å; L249-F337 HydrophobicContact CG-CZ 4.32Å; I331-F337 HydrophobicContact CD1-CZ 4.25Å; I331-F337 HydrophobicContact CG1-CE2 4.27Å; I331-F337 HydrophobicContact CG1-CZ 4.05Å; R335-F337 HydrophobicContact CG-CE1 4.39Å; R335-F337 HydrophobicContact CG-CE2 3.73Å; R335-F337 HydrophobicContact CG-CZ 3.68Å; R335-F337 WeakPolarHBondContact O-CD2 3.23Å; F337-I340 HydrophobicContact CB-CD1 4.15Å; F337-I340 HydrophobicContact CB-CG1 3.67Å; F337-I340 HydrophobicContact CG-CG1 4.37Å; F337-R360 PolarHBondContact O-N 2.81Å
338	D	97.9	Very high	95.7	Very high	14 Å²	14	33.3 Å²	33.3	8%	0.075	18%	0.175	C	C	.	.	S	Bend	trans	-86.8	-34.6	172.4	-64.3	-69.8	0	0	0	111.6	L246 E247 R360 G363 I364	L246-D338 HydrophobicContact CB-CB 4.24Å; L246-D338 HydrophobicContact CD2-CB 3.81Å; E247-D338 PolarHBondContact N-OD2 3.34Å; E247-D338 PolarHBondContact O-N 3.24Å; D338-R360 VanDerWaalsContact CG-NH1 3.29Å; D338-R360 VanDerWaalsContact OD1-CD 3.3Å; D338-R360 WeakPolarHBondContact OD1-CD 3.38Å; D338-R360 IonicContact OD1-NH1 3.63Å; D338-R360 IonicContact OD2-CZ 3.72Å; D338-R360 IonicContact OD2-NH1 2.69Å; D338-R360 PolarHBondContact OD2-NH1 2.88Å; D338-G363 CarbonylContact O-C 3.53Å; D338-G363 WeakPolarHBondContact O-CA 3.27Å; D338-I364 PolarHBondContact O-N 3.43Å
339	Y	98.4	Very high	95.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.9	178.4	-164.7	-86.5	0	0	0	110.2	V232 S235 L236 L239 E247 C248 L249 W262 H341 I364	V232-Y339 HydrophobicContact CG1-CE1 4.17Å; V232-Y339 WeakPolarHBondContact CG1-OH 3.34Å; V232-Y339 PolarHBondContact O-OH 3.43Å; S235-Y339 PolarHBondContact OG-OH 2.66Å; L236-Y339 HydrophobicContact CB-CD1 4.47Å; L236-Y339 HydrophobicContact CB-CD2 4.15Å; L236-Y339 HydrophobicContact CB-CE1 4.17Å; L236-Y339 HydrophobicContact CB-CE2 3.84Å; L236-Y339 HydrophobicContact CB-CG 4.46Å; L236-Y339 HydrophobicContact CD1-CD1 4.13Å; L236-Y339 HydrophobicContact CD1-CD2 3.7Å; L236-Y339 HydrophobicContact CD1-CE2 4.29Å; L236-Y339 HydrophobicContact CD1-CG 3.62Å; L239-Y339 HydrophobicContact CD2-CD2 3.88Å; E247-Y339 PolarHBondContact O-N 3.05Å; E247-Y339 VanDerWaalsContact O-N 3.12Å; C248-Y339 CarbonylContact C-O 3.59Å; C248-Y339 WeakPolarHBondContact CA-O 3.26Å; L249-Y339 PolarHBondContact N-O 3.49Å; W262-Y339 HydrophobicContact CH2-CD1 4.23Å; W262-Y339 HydrophobicContact CH2-CE1 4.11Å; W262-Y339 HydrophobicContact CZ2-CE1 4.14Å; Y339-H341 HydrophobicContact CE1-CB 4.26Å; Y339-I364 WeakPolarHBondContact CA-O 3.24Å; Y339-I364 HydrophobicContact CD2-CB 3.71Å; Y339-I364 HydrophobicContact CD2-CG2 3.91Å; Y339-I364 HydrophobicContact CE2-CB 3.86Å; Y339-I364 HydrophobicContact CE2-CG2 3.53Å
340	I	98.6	Very high	95.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.3	177.4	-58.8	173.1	0	0	0	108.4	L249 M332 F337 L342 A355 V359 I364 I365 S366	L249-I340 HydrophobicContact CD2-CG2 4.28Å; M332-I340 HydrophobicContact SD-CD1 4.33Å; M332-I340 HydrophobicContact SD-CG2 3.82Å; F337-I340 HydrophobicContact CB-CD1 4.15Å; F337-I340 HydrophobicContact CB-CG1 3.67Å; F337-I340 HydrophobicContact CG-CG1 4.37Å; I340-L342 HydrophobicContact CG2-CD2 3.96Å; I340-L342 HydrophobicContact CG2-CG 4.16Å; I340-A355 HydrophobicContact CD1-CB 4.39Å; I340-V359 HydrophobicContact CD1-CB 4.21Å; I340-V359 HydrophobicContact CD1-CG2 4.41Å; I340-I364 PolarHBondContact N-O 2.91Å; I340-I365 HydrophobicContact CB-CG1 4.39Å; I340-I365 WeakPolarHBondContact O-CA 3.38Å; I340-S366 PolarHBondContact O-N 3.02Å
341	H	98.4	Very high	95.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.4	171	-172.8	71.3	0	0	0	111.3	V232 L249 A251 M258 W262 Y339 D343 S366 T368	V232-H341 HydrophobicContact CG1-CB 4.44Å; V232-H341 WeakPolarHBondContact CG1-ND1 3.44Å; V232-H341 WeakPolarHBondContact CG2-CE1 3.3Å; L249-H341 PolarHBondContact O-N 2.87Å; A251-H341 VanDerWaalsContact CB-O 3.25Å; A251-H341 WeakPolarHBondContact CB-O 3.38Å; A251-H341 PolarHBondContact N-O 3.28Å; M258-H341 WeakPolarHBondContact CE-CD2 3.41Å; M258-H341 WeakPolarHBondContact CE-NE2 3.18Å; W262-H341 HydrophobicContact CH2-CB 3.61Å; W262-H341 HydrophobicContact CZ2-CB 4.06Å; Y339-H341 HydrophobicContact CE1-CB 4.26Å; H341-D343 WeakPolarHBondContact NE2-CB 3.45Å; H341-S366 WeakPolarHBondContact CA-O 3.39Å; H341-S366 PolarHBondContact CE1-OG 3.02Å; H341-S366 VanDerWaalsContact ND1-CB 3.32Å; H341-S366 WeakPolarHBondContact ND1-CB 3.39Å; H341-S366 PolarHBondContact ND1-OG 2.77Å; H341-T368 PolarHBondContact CE1-OG1 3.46Å
342	L	97.9	Very high	95.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	106.7	177.1	-57	177.2	0	0	0	109.4	A251 F252 M332 I340 P344 A348 L352 A355 S366 V367 T368	A251-L342 HydrophobicContact CB-CD2 3.81Å; F252-L342 HydrophobicContact CE2-CB 4.39Å; F252-L342 HydrophobicContact CE2-CD2 4.08Å; M332-L342 HydrophobicContact CE-CD2 4Å; M332-L342 HydrophobicContact SD-CD2 4.02Å; I340-L342 HydrophobicContact CG2-CD2 3.96Å; I340-L342 HydrophobicContact CG2-CG 4.16Å; L342-P344 VanDerWaalsContact C-CD 3.42Å; L342-A348 HydrophobicContact CB-CB 4.38Å; L342-L352 HydrophobicContact CD1-CD2 4.16Å; L342-A355 HydrophobicContact CD1-CB 4.1Å; L342-S366 PolarHBondContact N-O 2.85Å; L342-V367 HydrophobicContact CD1-CG2 4.41Å; L342-T368 PolarHBondContact O-N 3.15Å
343	D	95.5	Very high	95.5	Very high	41 Å²	41	39.5 Å²	39.5	22%	0.219	20%	0.203	C	C	.	.			trans	-126.2	66.5	171.5	-172.7	31.1	0	0	0	112.1	H341 T368	H341-D343 WeakPolarHBondContact NE2-CB 3.45Å; D343-T368 VanDerWaalsContact OD1-CB 3.3Å; D343-T368 WeakPolarHBondContact OD1-CB 3.31Å; D343-T368 WeakPolarHBondContact OD1-CG2 3.47Å
344	P	93.9	Very high	95.5	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.045	19%	0.185	C	C	.	.			trans	-77.4	162	174.8	30.8	-31.2	0	0	0	111.9	F252 L342 G346 T347 A348 Y351	F252-P344 HydrophobicContact CD1-CB 4.35Å; F252-P344 HydrophobicContact CD2-CB 4.37Å; F252-P344 HydrophobicContact CE1-CB 3.95Å; F252-P344 HydrophobicContact CE2-CB 3.96Å; F252-P344 HydrophobicContact CE2-CG 4.17Å; F252-P344 HydrophobicContact CZ-CB 3.75Å; F252-P344 HydrophobicContact CZ-CG 4.29Å; L342-P344 VanDerWaalsContact C-CD 3.42Å; P344-G346 PolarHBondContact O-N 3.46Å; P344-T347 WeakPolarHBondContact CG-O 3.38Å; P344-A348 HydrophobicContact CG-CB 3.81Å; P344-Y351 HydrophobicContact CB-CD2 4.35Å; P344-Y351 HydrophobicContact CB-CE2 3.78Å; P344-Y351 HydrophobicContact CG-CD2 4.08Å; P344-Y351 HydrophobicContact CG-CE2 3.98Å
345	F	88.5	Confident	95.6	Very high	148 Å²	148	29.8 Å²	29.8	65%	0.649	15%	0.154	S	C	*	.	S	Bend	trans	-63.2	120.6	166.7	-65.7	-71.3	0	0	0	111.5	Y220 T347	Y220-F345 VanDerWaalsContact CB-CZ 3.45Å; Y220-F345 AromaticContact CD1-CE1 3.37Å; Y220-F345 HydrophobicContact CD1-CE1 3.37Å; Y220-F345 AromaticContact CD1-CZ 3.42Å; Y220-F345 HydrophobicContact CD1-CZ 3.42Å; Y220-F345 VanDerWaalsContact CD1-CZ 3.42Å; Y220-F345 AromaticContact CD2-CE1 3.81Å; Y220-F345 HydrophobicContact CD2-CE1 3.81Å; Y220-F345 AromaticContact CD2-CZ 3.99Å; Y220-F345 HydrophobicContact CD2-CZ 3.99Å; Y220-F345 AromaticContact CE1-CE1 3.52Å; Y220-F345 HydrophobicContact CE1-CE1 3.52Å; Y220-F345 HydrophobicContact CE1-CZ 4.07Å; Y220-F345 AromaticContact CE2-CE1 3.95Å; Y220-F345 HydrophobicContact CE2-CE1 3.95Å; Y220-F345 AromaticContact CG-CE1 3.51Å; Y220-F345 HydrophobicContact CG-CE1 3.51Å; Y220-F345 AromaticContact CG-CZ 3.35Å; Y220-F345 HydrophobicContact CG-CZ 3.35Å; Y220-F345 AromaticContact CZ-CE1 3.79Å; F345-T347 PolarHBondContact O-N 3.29Å
346	G	90.3	Very high	95.8	Very high	21 Å²	21	26.6 Å²	26.6	22%	0.216	14%	0.142	C	C	.	.	S	Bend	trans	85.1	-100	179.2	0	0	0	0	0	112.6	P344 T370 D371	P344-G346 PolarHBondContact O-N 3.46Å; G346-T370 PolarHBondContact N-OG1 3.4Å; G346-T370 PolarHBondContact O-N 3.33Å; G346-D371 PolarHBondContact O-N 2.84Å
347	T	92.7	Very high	95.8	Very high	14 Å²	14	31.4 Å²	31.4	9%	0.086	15%	0.154	C	C	.	.			trans	-118	139.6	-169.7	-169.6	0	0	0	0	112.3	P344 F345 V349 Y387	P344-T347 WeakPolarHBondContact CG-O 3.38Å; F345-T347 PolarHBondContact O-N 3.29Å; T347-V349 WeakPolarHBondContact OG1-CG2 3.35Å; T347-Y387 PolarHBondContact OG1-OH 3.14Å; T347-Y387 VanDerWaalsContact OG1-OH 3.06Å
348	A	94.6	Very high	95.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	17%	0.169	C	C	.	.			trans	-90	-2.4	177.1	0	0	0	0	0	114.8	L342 P344 N350 Y351 V367	L342-A348 HydrophobicContact CB-CB 4.38Å; P344-A348 HydrophobicContact CG-CB 3.81Å; A348-N350 PolarHBondContact O-N 2.96Å; A348-N350 VanDerWaalsContact O-N 3.14Å; A348-Y351 PolarHBondContact O-N 3.09Å; A348-V367 HydrophobicContact CB-CG1 3.38Å
349	V	94.9	Very high	95.5	Very high	27 Å²	27	34 Å²	34	16%	0.164	17%	0.168	C	C	.	.	H	α-helix	trans	-53.5	-40.3	-173.2	170.9	0	0	0	0	112.9	T347 Y351 L352 H386 Y387 T408	T347-V349 WeakPolarHBondContact OG1-CG2 3.35Å; V349-Y351 PolarHBondContact O-N 3.05Å; V349-Y351 VanDerWaalsContact O-N 3.09Å; V349-L352 PolarHBondContact O-N 3.39Å; V349-H386 WeakPolarHBondContact CG1-O 3.3Å; V349-H386 HydrophobicContact CG2-CB 4.32Å; V349-H386 WeakPolarHBondContact CG2-O 3.42Å; V349-Y387 HydrophobicContact CG2-CD1 4Å; V349-Y387 HydrophobicContact CG2-CE1 3.73Å; V349-T408 HydrophobicContact CG1-CG2 4.42Å; V349-T408 HydrophobicContact CG2-CG2 3.99Å
350	N	94.3	Very high	95.4	Very high	106 Å²	106	37.8 Å²	37.8	57%	0.567	18%	0.182	S	C	*	.	H	α-helix	trans	-65.8	-14.1	-175.6	-62.4	-19.8	0	0	0	114	N329 A348	N329-N350 PolarHBondContact OD1-O 3.26Å; A348-N350 PolarHBondContact O-N 2.96Å; A348-N350 VanDerWaalsContact O-N 3.14Å
351	Y	97.1	Very high	95.3	Very high	46 Å²	46	41 Å²	41	18%	0.18	20%	0.199	C	C	.	.	H	α-helix	trans	-109.2	-8.8	-175.9	-54	-78.5	0	0	0	112.8	F252 A328 N329 P344 A348 V349 D353 A354 A355	F252-Y351 HydrophobicContact CE1-CE1 4.16Å; F252-Y351 HydrophobicContact CE1-CE2 4.16Å; F252-Y351 AromaticContact CE1-CZ 3.81Å; F252-Y351 HydrophobicContact CE2-CD2 4.36Å; F252-Y351 HydrophobicContact CE2-CE2 4.46Å; F252-Y351 HydrophobicContact CE2-CG 4.5Å; F252-Y351 AromaticContact CZ-CD1 3.91Å; F252-Y351 HydrophobicContact CZ-CD1 3.91Å; F252-Y351 AromaticContact CZ-CD2 3.77Å; F252-Y351 HydrophobicContact CZ-CD2 3.77Å; F252-Y351 AromaticContact CZ-CE1 3.7Å; F252-Y351 HydrophobicContact CZ-CE1 3.7Å; F252-Y351 AromaticContact CZ-CE2 3.54Å; F252-Y351 HydrophobicContact CZ-CE2 3.54Å; F252-Y351 AromaticContact CZ-CG 3.94Å; F252-Y351 HydrophobicContact CZ-CG 3.94Å; F252-Y351 AromaticContact CZ-CZ 3.49Å; F252-Y351 VanDerWaalsContact CZ-CZ 3.49Å; A328-Y351 HydrophobicContact CB-CD1 3.99Å; A328-Y351 HydrophobicContact CB-CE1 4.17Å; N329-Y351 WeakPolarHBondContact ND2-CD1 3.38Å; N329-Y351 WeakPolarHBondContact OD1-CA 3.47Å; P344-Y351 HydrophobicContact CB-CD2 4.35Å; P344-Y351 HydrophobicContact CB-CE2 3.78Å; P344-Y351 HydrophobicContact CG-CD2 4.08Å; P344-Y351 HydrophobicContact CG-CE2 3.98Å; A348-Y351 PolarHBondContact O-N 3.09Å; V349-Y351 PolarHBondContact O-N 3.05Å; V349-Y351 VanDerWaalsContact O-N 3.09Å; Y351-D353 PolarHBondContact O-N 2.91Å; Y351-A354 PolarHBondContact O-N 2.98Å; Y351-A355 PolarHBondContact O-N 3.32Å
352	L	97.4	Very high	95.3	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-42.4	-174.6	-64.6	178.4	0	0	0	112.1	L342 V349 A354 A355 F356 V367 T408 V409 A412	L342-L352 HydrophobicContact CD1-CD2 4.16Å; V349-L352 PolarHBondContact O-N 3.39Å; L352-A354 VanDerWaalsContact C-N 3.32Å; L352-A354 PolarHBondContact O-N 2.85Å; L352-A355 PolarHBondContact O-N 3.24Å; L352-F356 VanDerWaalsContact O-CD2 3.24Å; L352-F356 WeakPolarHBondContact O-CD2 3.36Å; L352-F356 PolarHBondContact O-N 3Å; L352-V367 HydrophobicContact CD2-CG1 4.32Å; L352-V367 HydrophobicContact CD2-CG2 3.94Å; L352-T408 HydrophobicContact CD1-CG2 3.87Å; L352-V409 HydrophobicContact CD1-CG2 4.19Å; L352-V409 HydrophobicContact CD2-CG2 4.06Å; L352-A412 HydrophobicContact CB-CB 3.71Å; L352-A412 HydrophobicContact CD1-CB 4.37Å
353	D	95.3	Very high	95.2	Very high	69 Å²	69	43.6 Å²	43.6	37%	0.369	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-41.3	-179.7	-76.5	-45.8	0	0	0	112	Y351 R357 R415	Y351-D353 PolarHBondContact O-N 2.91Å; D353-R357 WeakPolarHBondContact O-CG 3.15Å; D353-R357 PolarHBondContact O-N 3.45Å; D353-R415 IonicContact OD1-CZ 3.41Å; D353-R415 IonicContact OD1-NE 3.55Å; D353-R415 PolarHBondContact OD1-NE 3.44Å; D353-R415 IonicContact OD1-NH2 2.67Å; D353-R415 PolarHBondContact OD1-NH2 3.16Å; D353-R415 IonicContact OD2-CZ 3.85Å; D353-R415 IonicContact OD2-NE 3.48Å; D353-R415 IonicContact OD2-NH2 2.75Å; D353-R415 PolarHBondContact OD2-NH2 2.94Å
354	A	96.9	Very high	95.4	Very high	2 Å²	2	41.6 Å²	41.6	2%	0.017	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-44.5	175.3	0	0	0	0	0	111.6	N329 M332 H333 Y351 L352 F356 R357	N329-A354 HydrophobicContact CB-CB 4.08Å; N329-A354 VanDerWaalsContact OD1-CB 3.24Å; N329-A354 WeakPolarHBondContact OD1-CB 3.4Å; M332-A354 HydrophobicContact CB-CB 4.14Å; M332-A354 HydrophobicContact CE-CB 3.73Å; H333-A354 WeakPolarHBondContact CE1-CB 3.33Å; Y351-A354 PolarHBondContact O-N 2.98Å; L352-A354 VanDerWaalsContact C-N 3.32Å; L352-A354 PolarHBondContact O-N 2.85Å; A354-F356 VanDerWaalsContact C-N 3.35Å; A354-F356 PolarHBondContact O-N 3.33Å; A354-R357 PolarHBondContact O-N 3.31Å
355	A	97.7	Very high	95.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-43.5	179.1	0	0	0	0	0	112.2	M332 I340 L342 Y351 L352 R357 V359 I365	M332-A355 HydrophobicContact CE-CB 4.44Å; M332-A355 WeakPolarHBondContact SD-CA 3.28Å; M332-A355 HydrophobicContact SD-CB 3.61Å; I340-A355 HydrophobicContact CD1-CB 4.39Å; L342-A355 HydrophobicContact CD1-CB 4.1Å; Y351-A355 PolarHBondContact O-N 3.32Å; L352-A355 PolarHBondContact O-N 3.24Å; A355-R357 PolarHBondContact O-N 2.77Å; A355-V359 VanDerWaalsContact O-CB 3.32Å; A355-V359 WeakPolarHBondContact O-CB 3.22Å; A355-V359 WeakPolarHBondContact O-CG1 3.37Å; A355-V359 PolarHBondContact O-N 2.85Å; A355-I365 HydrophobicContact CB-CD1 4.02Å
356	F	97.8	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-78.7	-13.2	-178.3	-78.5	-70.9	0	0	0	114.8	L352 A354 V359 I365 V409 A412 A413 C416 K418 I420 V436 V438	L352-F356 VanDerWaalsContact O-CD2 3.24Å; L352-F356 WeakPolarHBondContact O-CD2 3.36Å; L352-F356 PolarHBondContact O-N 3Å; A354-F356 VanDerWaalsContact C-N 3.35Å; A354-F356 PolarHBondContact O-N 3.33Å; F356-V359 HydrophobicContact CD1-CG1 4.32Å; F356-I365 HydrophobicContact CD1-CD1 3.77Å; F356-I365 HydrophobicContact CD2-CD1 4.35Å; F356-I365 HydrophobicContact CE1-CD1 3.6Å; F356-I365 HydrophobicContact CE2-CD1 4.18Å; F356-I365 HydrophobicContact CG-CD1 4.14Å; F356-I365 HydrophobicContact CZ-CD1 3.79Å; F356-V409 HydrophobicContact CE2-CG1 3.77Å; F356-V409 WeakPolarHBondContact CE2-O 3.37Å; F356-V409 HydrophobicContact CZ-CG1 3.53Å; F356-A412 HydrophobicContact CD2-CB 3.87Å; F356-A412 HydrophobicContact CE2-CB 4.21Å; F356-A413 HydrophobicContact CD1-CB 3.56Å; F356-A413 HydrophobicContact CD2-CB 4.27Å; F356-A413 HydrophobicContact CE1-CB 3.42Å; F356-A413 VanDerWaalsContact CE1-CB 3.42Å; F356-A413 HydrophobicContact CE2-CB 4.18Å; F356-A413 HydrophobicContact CG-CB 4Å; F356-A413 HydrophobicContact CZ-CB 3.78Å; F356-C416 HydrophobicContact CB-CB 4.35Å; F356-K418 WeakPolarHBondContact O-CD 3.32Å; F356-K418 WeakPolarHBondContact O-CE 3.37Å; F356-K418 PolarHBondContact O-NZ 3.11Å; F356-I420 HydrophobicContact CE1-CG2 3.99Å; F356-I420 HydrophobicContact CZ-CG2 4.08Å; F356-V436 HydrophobicContact CZ-CG2 4.33Å; F356-V438 HydrophobicContact CD1-CG1 4.31Å; F356-V438 HydrophobicContact CD1-CG2 4.31Å; F356-V438 HydrophobicContact CE1-CG1 4.33Å; F356-V438 HydrophobicContact CE1-CG2 3.81Å
357	R	95.3	Very high	96.4	Very high	157 Å²	157	33.3 Å²	33.3	59%	0.592	16%	0.16	S	C	*	.	H	α-helix	trans	-62.6	-58.7	178.3	-78	-111.4	-175.7	162.8	2.4	111.7	D353 A354 A355 K418	D353-R357 WeakPolarHBondContact O-CG 3.15Å; D353-R357 PolarHBondContact O-N 3.45Å; A354-R357 PolarHBondContact O-N 3.31Å; A355-R357 PolarHBondContact O-N 2.77Å; R357-K418 PolarHBondContact O-NZ 3.1Å
358	N	94.3	Very high	96.6	Very high	62 Å²	62	32.7 Å²	32.7	33%	0.332	16%	0.155	S	C	.	.	H	α-helix	trans	-111.1	0.1	-169.6	-70.2	-29.7	0	0	0	115.4	M332 H333 P336 R360	M332-N358 WeakPolarHBondContact O-CB 3.47Å; M332-N358 PolarHBondContact O-ND2 3.19Å; H333-N358 WeakPolarHBondContact CA-ND2 3.29Å; H333-N358 PolarHBondContact O-ND2 3.02Å; P336-N358 WeakPolarHBondContact CA-O 3.43Å; P336-N358 HydrophobicContact CB-CB 4.42Å; P336-N358 WeakPolarHBondContact CB-O 3.49Å; N358-R360 PolarHBondContact O-N 2.94Å
359	V	96.9	Very high	96.6	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.042	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-53.4	135.6	173.9	63.3	0	0	0	0	111.4	I340 A355 F356 I365 K418 V438	I340-V359 HydrophobicContact CD1-CB 4.21Å; I340-V359 HydrophobicContact CD1-CG2 4.41Å; A355-V359 VanDerWaalsContact O-CB 3.32Å; A355-V359 WeakPolarHBondContact O-CB 3.22Å; A355-V359 WeakPolarHBondContact O-CG1 3.37Å; A355-V359 PolarHBondContact O-N 2.85Å; F356-V359 HydrophobicContact CD1-CG1 4.32Å; V359-I365 HydrophobicContact CB-CD1 4.16Å; V359-I365 HydrophobicContact CG1-CD1 4.09Å; V359-I365 HydrophobicContact CG2-CD1 4.12Å; V359-I365 HydrophobicContact CG2-CG1 4.03Å; V359-K418 HydrophobicContact CG1-CD 4.08Å; V359-V438 HydrophobicContact CG1-CB 4.28Å; V359-V438 HydrophobicContact CG1-CG1 3.89Å; V359-V438 HydrophobicContact CG1-CG2 4.01Å; V359-V438 HydrophobicContact CG2-CG2 4.01Å
360	R	95.7	Very high	96.5	Very high	79 Å²	79	33.6 Å²	33.6	30%	0.298	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-68.7	155.5	179.7	-64.5	-163.1	-174.9	88.4	4.8	111.3	P336 F337 D338 N358 L362 G363	P336-R360 HydrophobicContact CB-CG 3.99Å; P336-R360 PolarHBondContact O-NH1 2.8Å; P336-R360 PolarHBondContact O-NH2 3.13Å; F337-R360 PolarHBondContact O-N 2.81Å; D338-R360 VanDerWaalsContact CG-NH1 3.29Å; D338-R360 VanDerWaalsContact OD1-CD 3.3Å; D338-R360 WeakPolarHBondContact OD1-CD 3.38Å; D338-R360 IonicContact OD1-NH1 3.63Å; D338-R360 IonicContact OD2-CZ 3.72Å; D338-R360 IonicContact OD2-NH1 2.69Å; D338-R360 PolarHBondContact OD2-NH1 2.88Å; N358-R360 PolarHBondContact O-N 2.94Å; R360-L362 PolarHBondContact O-N 3.13Å; R360-G363 PolarHBondContact O-N 3.42Å
361	N	96.3	Very high	96.3	Very high	71 Å²	71	29.5 Å²	29.5	38%	0.38	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	135.1	175.5	-174.8	43.2	0	0	0	110.4	R243 G363 R440	R243-N361 PolarHBondContact NH1-O 2.99Å; N361-G363 PolarHBondContact O-N 3.28Å; N361-R440 HydrophobicContact CB-CB 4Å; N361-R440 VanDerWaalsContact OD1-CB 3.27Å; N361-R440 WeakPolarHBondContact OD1-CB 3.42Å; N361-R440 PolarHBondContact OD1-N 2.82Å
362	L	97.3	Very high	95.8	Very high	52 Å²	52	29.5 Å²	29.5	27%	0.272	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	12.8	-171.6	-54.1	168.1	0	0	0	113.9	R360 R437 V438 L439	R360-L362 PolarHBondContact O-N 3.13Å; L362-R437 HydrophobicContact CD2-CG 4.37Å; L362-V438 VanDerWaalsContact CA-O 3.26Å; L362-V438 WeakPolarHBondContact CA-O 3.44Å; L362-V438 PolarHBondContact N-O 2.91Å; L362-L439 HydrophobicContact CD2-CD2 3.7Å
363	G	97.4	Very high	95.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.01	15%	0.154	C	C	.	.			trans	-67.5	162.5	167.7	0	0	0	0	0	111.7	D338 R360 N361 R437 V438	D338-G363 CarbonylContact O-C 3.53Å; D338-G363 WeakPolarHBondContact O-CA 3.27Å; R360-G363 PolarHBondContact O-N 3.42Å; N361-G363 PolarHBondContact O-N 3.28Å; G363-R437 WeakPolarHBondContact O-CA 3.43Å; G363-V438 PolarHBondContact O-N 2.92Å
364	I	98.6	Very high	95.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.5	179.1	-65.3	179.6	0	0	0	109.9	L239 D338 Y339 I340 L423 V435 V436 F506	L239-I364 HydrophobicContact CB-CD1 3.89Å; L239-I364 HydrophobicContact CD1-CD1 4.04Å; L239-I364 HydrophobicContact CD1-CG1 4.27Å; L239-I364 HydrophobicContact CD2-CB 4.15Å; L239-I364 HydrophobicContact CD2-CD1 3.99Å; L239-I364 HydrophobicContact CD2-CG1 3.97Å; L239-I364 HydrophobicContact CG-CD1 4.19Å; D338-I364 PolarHBondContact O-N 3.43Å; Y339-I364 WeakPolarHBondContact CA-O 3.24Å; Y339-I364 HydrophobicContact CD2-CB 3.71Å; Y339-I364 HydrophobicContact CD2-CG2 3.91Å; Y339-I364 HydrophobicContact CE2-CB 3.86Å; Y339-I364 HydrophobicContact CE2-CG2 3.53Å; I340-I364 PolarHBondContact N-O 2.91Å; I364-L423 HydrophobicContact CD1-CD1 3.58Å; I364-L423 HydrophobicContact CG1-CD1 3.92Å; I364-L423 HydrophobicContact CG2-CD1 4.47Å; I364-V435 HydrophobicContact CG2-CG1 3.42Å; I364-V435 VanDerWaalsContact CG2-CG1 3.42Å; I364-V436 VanDerWaalsContact CA-O 3.31Å; I364-V436 WeakPolarHBondContact CA-O 2.97Å; I364-F506 HydrophobicContact CD1-CE2 4.03Å; I364-F506 HydrophobicContact CD1-CZ 4.01Å
365	I	98.6	Very high	94.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.9	168.7	-57.9	176.8	0	0	0	107.8	I340 A355 F356 V359 V367 V436 V438	I340-I365 HydrophobicContact CB-CG1 4.39Å; I340-I365 WeakPolarHBondContact O-CA 3.38Å; A355-I365 HydrophobicContact CB-CD1 4.02Å; F356-I365 HydrophobicContact CD1-CD1 3.77Å; F356-I365 HydrophobicContact CD2-CD1 4.35Å; F356-I365 HydrophobicContact CE1-CD1 3.6Å; F356-I365 HydrophobicContact CE2-CD1 4.18Å; F356-I365 HydrophobicContact CG-CD1 4.14Å; F356-I365 HydrophobicContact CZ-CD1 3.79Å; V359-I365 HydrophobicContact CB-CD1 4.16Å; V359-I365 HydrophobicContact CG1-CD1 4.09Å; V359-I365 HydrophobicContact CG2-CD1 4.12Å; V359-I365 HydrophobicContact CG2-CG1 4.03Å; I365-V367 HydrophobicContact CG2-CG2 3.82Å; I365-V436 HydrophobicContact CB-CG2 4.15Å; I365-V436 PolarHBondContact N-O 3.45Å; I365-V436 PolarHBondContact O-N 2.95Å; I365-V438 HydrophobicContact CD1-CG2 3.92Å; I365-V438 HydrophobicContact CG1-CG2 4.03Å
366	S	98.3	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125	173.3	175.4	0	0	0	0	109	I340 H341 L342 L433	I340-S366 PolarHBondContact O-N 3.02Å; H341-S366 WeakPolarHBondContact CA-O 3.39Å; H341-S366 PolarHBondContact CE1-OG 3.02Å; H341-S366 VanDerWaalsContact ND1-CB 3.32Å; H341-S366 WeakPolarHBondContact ND1-CB 3.39Å; H341-S366 PolarHBondContact ND1-OG 2.77Å; L342-S366 PolarHBondContact N-O 2.85Å; S366-L433 WeakPolarHBondContact OG-CD1 3.36Å
367	V	98.1	Very high	94.1	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.4	-176.2	-174.7	0	0	0	0	109.7	L342 A348 L352 I365 V409 L433 V434	L342-V367 HydrophobicContact CD1-CG2 4.41Å; A348-V367 HydrophobicContact CB-CG1 3.38Å; L352-V367 HydrophobicContact CD2-CG1 4.32Å; L352-V367 HydrophobicContact CD2-CG2 3.94Å; I365-V367 HydrophobicContact CG2-CG2 3.82Å; V367-V409 HydrophobicContact CG2-CG2 4.21Å; V367-L433 CarbonylContact O-C 3.6Å; V367-L433 WeakPolarHBondContact O-CA 3.43Å; V367-V434 PolarHBondContact N-O 2.97Å; V367-V434 PolarHBondContact O-N 2.8Å
368	T	96.8	Very high	93.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.3	173.4	-56.7	0	0	0	0	109.6	M225 N228 H341 L342 D343 T370 F431 V432	M225-T368 HydrophobicContact CE-CG2 3.77Å; N228-T368 WeakPolarHBondContact ND2-CG2 3.43Å; N228-T368 PolarHBondContact ND2-OG1 2.92Å; N228-T368 VanDerWaalsContact ND2-OG1 3.13Å; H341-T368 PolarHBondContact CE1-OG1 3.46Å; L342-T368 PolarHBondContact O-N 3.15Å; D343-T368 VanDerWaalsContact OD1-CB 3.3Å; D343-T368 WeakPolarHBondContact OD1-CB 3.31Å; D343-T368 WeakPolarHBondContact OD1-CG2 3.47Å; T368-T370 HydrophobicContact CG2-CG2 4.48Å; T368-F431 HydrophobicContact CG2-CB 3.9Å; T368-F431 HydrophobicContact CG2-CG 4.42Å; T368-V432 WeakPolarHBondContact CA-O 2.86Å
369	S	94.6	Very high	93.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.4	170.9	-72.2	0	0	0	0	110.3	Y387 F431 V432	S369-Y387 PolarHBondContact OG-OH 3.47Å; S369-F431 WeakPolarHBondContact O-CA 3.42Å; S369-V432 PolarHBondContact N-O 3.22Å; S369-V432 PolarHBondContact O-N 3.1Å
370	T	92.2	Very high	93.6	Very high	46 Å²	46	29.4 Å²	29.4	28%	0.282	16%	0.162	S	C	.	.			trans	-113.6	3.2	179.4	53.6	0	0	0	0	112.6	M225 G346 T368 T372 F431	M225-T370 HydrophobicContact CE-CG2 4.38Å; G346-T370 PolarHBondContact N-OG1 3.4Å; G346-T370 PolarHBondContact O-N 3.33Å; T368-T370 HydrophobicContact CG2-CG2 4.48Å; T370-T372 VanDerWaalsContact C-N 3.25Å; T370-T372 PolarHBondContact O-N 3.21Å; T370-F431 HydrophobicContact CG2-CB 4.18Å
371	D	89.6	Confident	93.5	Very high	21 Å²	21	31.4 Å²	31.4	11%	0.112	18%	0.179	C	C	.	.			trans	-77.5	63.8	-178.9	72.2	-38.4	0	0	0	113.9	G346 G373 S374 L375 Y387	G346-D371 PolarHBondContact O-N 2.84Å; D371-G373 PolarHBondContact O-N 2.81Å; D371-S374 PolarHBondContact O-N 3.21Å; D371-S374 WeakPolarHBondContact OD2-CB 3.46Å; D371-S374 PolarHBondContact OD2-OG 2.93Å; D371-L375 WeakPolarHBondContact O-CG 3.5Å; D371-L375 PolarHBondContact O-N 2.83Å; D371-L375 WeakPolarHBondContact OD1-CD1 3.43Å; D371-L375 VanDerWaalsContact OD1-CG 3.32Å; D371-L375 WeakPolarHBondContact OD1-CG 3.4Å; D371-Y387 PolarHBondContact OD1-OH 2.8Å; D371-Y387 WeakPolarHBondContact OD2-CE2 3.49Å; D371-Y387 PolarHBondContact OD2-OH 2.79Å
372	T	86.1	Confident	93.4	Very high	45 Å²	45	29.7 Å²	29.7	28%	0.276	17%	0.171	S	C	.	.	H	α-helix	trans	-53.1	-25.2	179.9	62.3	0	0	0	0	114.2	T370 Y376	T370-T372 VanDerWaalsContact C-N 3.25Å; T370-T372 PolarHBondContact O-N 3.21Å; T372-Y376 HydrophobicContact CG2-CD2 4.13Å; T372-Y376 HydrophobicContact CG2-CE2 3.71Å; T372-Y376 WeakPolarHBondContact O-CB 3.37Å; T372-Y376 PolarHBondContact O-N 3.27Å; T372-Y376 VanDerWaalsContact O-N 3.09Å
373	G	88.1	Confident	93.4	Very high	23 Å²	23	27.2 Å²	27.2	24%	0.237	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-46.9	174	0	0	0	0	0	113.3	D371 K378 S379	D371-G373 PolarHBondContact O-N 2.81Å; G373-K378 WeakPolarHBondContact O-CA 3.22Å; G373-K378 WeakPolarHBondContact O-CB 3.4Å; G373-K378 PolarHBondContact O-N 3.34Å; G373-S379 PolarHBondContact O-N 2.88Å
374	S	90.9	Very high	93.3	Very high	8 Å²	8	31.7 Å²	31.7	6%	0.056	18%	0.181	C	C	.	.	H	α-helix	trans	-78.5	-44.9	177.6	-33.8	0	0	0	0	110.8	D371 Y376 A377 V382 T383	D371-S374 PolarHBondContact O-N 3.21Å; D371-S374 WeakPolarHBondContact OD2-CB 3.46Å; D371-S374 PolarHBondContact OD2-OG 2.93Å; S374-Y376 VanDerWaalsContact C-N 3.33Å; S374-Y376 PolarHBondContact O-N 2.93Å; S374-A377 PolarHBondContact O-N 3.43Å; S374-V382 WeakPolarHBondContact OG-CG1 3.42Å; S374-T383 WeakPolarHBondContact CA-OG1 3.19Å; S374-T383 PolarHBondContact O-OG1 2.96Å
375	L	91.6	Very high	93.1	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-38	-174.3	-66.2	174.5	0	0	0	112.7	D371 Y387 A401 M404 V405 V432	D371-L375 WeakPolarHBondContact O-CG 3.5Å; D371-L375 PolarHBondContact O-N 2.83Å; D371-L375 WeakPolarHBondContact OD1-CD1 3.43Å; D371-L375 VanDerWaalsContact OD1-CG 3.32Å; D371-L375 WeakPolarHBondContact OD1-CG 3.4Å; L375-Y387 HydrophobicContact CD2-CE1 4.22Å; L375-Y387 HydrophobicContact CD2-CE2 3.9Å; L375-A401 HydrophobicContact CB-CB 4Å; L375-A401 HydrophobicContact CD2-CB 4.44Å; L375-M404 HydrophobicContact CD2-CE 3.56Å; L375-V405 HydrophobicContact CD2-CG2 3.62Å; L375-V432 HydrophobicContact CD1-CB 4.17Å; L375-V432 HydrophobicContact CD1-CG2 3.74Å
376	Y	91.7	Very high	92.9	Very high	25 Å²	25	42.5 Å²	42.5	10%	0.098	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	31.9	-174.3	-52.2	-30.5	0	0	0	113	T372 S374 K378 Y397 K398 A401 V428	T372-Y376 HydrophobicContact CG2-CD2 4.13Å; T372-Y376 HydrophobicContact CG2-CE2 3.71Å; T372-Y376 WeakPolarHBondContact O-CB 3.37Å; T372-Y376 PolarHBondContact O-N 3.27Å; T372-Y376 VanDerWaalsContact O-N 3.09Å; S374-Y376 VanDerWaalsContact C-N 3.33Å; S374-Y376 PolarHBondContact O-N 2.93Å; Y376-K378 PolarHBondContact O-N 3Å; Y376-K378 VanDerWaalsContact O-N 3.1Å; Y376-Y397 AromaticContact CD1-CD2 3.39Å; Y376-Y397 HydrophobicContact CD1-CD2 3.39Å; Y376-Y397 AromaticContact CD1-CE2 3.78Å; Y376-Y397 HydrophobicContact CD1-CE2 3.78Å; Y376-Y397 HydrophobicContact CD2-CD2 4.29Å; Y376-Y397 AromaticContact CD2-CE2 3.93Å; Y376-Y397 HydrophobicContact CD2-CE2 3.93Å; Y376-Y397 AromaticContact CE1-CD2 3.92Å; Y376-Y397 HydrophobicContact CE1-CD2 3.92Å; Y376-Y397 HydrophobicContact CE1-CE2 4.03Å; Y376-Y397 HydrophobicContact CE2-CE2 4.19Å; Y376-Y397 AromaticContact CG-CD2 3.59Å; Y376-Y397 HydrophobicContact CG-CD2 3.59Å; Y376-Y397 AromaticContact CG-CE2 3.71Å; Y376-Y397 HydrophobicContact CG-CE2 3.71Å; Y376-K398 HydrophobicContact CE1-CG 4.26Å; Y376-A401 HydrophobicContact CD1-CB 3.97Å; Y376-A401 HydrophobicContact CE1-CB 3.79Å; Y376-V428 PolarHBondContact OH-O 2.92Å
377	A	88.4	Confident	92.8	Very high	9 Å²	9	42.7 Å²	42.7	7%	0.074	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	26.6	173.4	0	0	0	0	0	115.3	S374 I391 R393	S374-A377 PolarHBondContact O-N 3.43Å; A377-I391 HydrophobicContact CB-CD1 3.73Å; A377-I391 HydrophobicContact CB-CG1 3.81Å; A377-R393 HydrophobicContact CB-CG 4.22Å
378	K	90.9	Very high	92.6	Very high	120 Å²	120	44.4 Å²	44.4	52%	0.522	24%	0.243	S	C	.	.	S	Bend	trans	-78.3	-28.5	173.5	-58.6	-179.1	-177.8	171.5	0	111.6	G373 Y376	G373-K378 WeakPolarHBondContact O-CA 3.22Å; G373-K378 WeakPolarHBondContact O-CB 3.4Å; G373-K378 PolarHBondContact O-N 3.34Å; Y376-K378 PolarHBondContact O-N 3Å; Y376-K378 VanDerWaalsContact O-N 3.1Å
379	S	93.1	Very high	92.4	Very high	53 Å²	53	44.4 Å²	44.4	37%	0.371	24%	0.243	S	C	.	.	S	Bend	trans	-134	75.8	179.6	-60.2	0	0	0	0	111.4	G373 N381 V382 T383	G373-S379 PolarHBondContact O-N 2.88Å; S379-N381 PolarHBondContact O-N 2.88Å; S379-N381 VanDerWaalsContact O-N 3.12Å; S379-V382 WeakPolarHBondContact O-CA 3.41Å; S379-V382 WeakPolarHBondContact O-CB 3.4Å; S379-V382 PolarHBondContact O-N 2.96Å; S379-T383 PolarHBondContact O-N 2.85Å; S379-T383 VanDerWaalsContact O-N 3.11Å; S379-T383 PolarHBondContact O-OG1 3.35Å
380	P	91.6	Very high	92.4	Very high	60 Å²	60	49.3 Å²	49.3	39%	0.39	27%	0.266	S	S	.	.	H	α-helix	trans	-55.4	-34.8	-172.6	-26.6	34.7	0	0	0	114.4	V382 T383 L384	P380-V382 VanDerWaalsContact C-N 3.31Å; P380-V382 PolarHBondContact O-N 3.36Å; P380-T383 WeakPolarHBondContact O-CB 3.47Å; P380-T383 PolarHBondContact O-N 3.12Å; P380-L384 WeakPolarHBondContact O-CB 3.49Å; P380-L384 PolarHBondContact O-N 3.21Å
381	N	94.2	Very high	92.5	Very high	120 Å²	120	47.4 Å²	47.4	64%	0.642	25%	0.254	S	S	*	.	H	α-helix	trans	-65	-34	176.7	-65.9	-25.1	0	0	0	112.6	S379 R385	S379-N381 PolarHBondContact O-N 2.88Å; S379-N381 VanDerWaalsContact O-N 3.12Å; N381-R385 WeakPolarHBondContact O-CG 3.37Å; N381-R385 PolarHBondContact O-N 2.61Å; N381-R385 PolarHBondContact O-NH1 3.43Å
382	V	94.1	Very high	92.6	Very high	35 Å²	35	47.7 Å²	47.7	21%	0.212	26%	0.256	C	S	.	.	H	α-helix	trans	-72.7	-42.7	175	-174.9	0	0	0	0	109.3	S374 S379 P380 L384 R385 H386	S374-V382 WeakPolarHBondContact OG-CG1 3.42Å; S379-V382 WeakPolarHBondContact O-CA 3.41Å; S379-V382 WeakPolarHBondContact O-CB 3.4Å; S379-V382 PolarHBondContact O-N 2.96Å; P380-V382 VanDerWaalsContact C-N 3.31Å; P380-V382 PolarHBondContact O-N 3.36Å; V382-L384 VanDerWaalsContact C-N 3.3Å; V382-L384 PolarHBondContact O-N 2.96Å; V382-R385 PolarHBondContact O-N 3.26Å; V382-H386 PolarHBondContact O-N 3.14Å
383	T	95.5	Very high	92.8	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.2	-45.4	174.8	-45.5	0	0	0	0	111.9	S374 S379 P380 R385 Y387 G388 I391 M404	S374-T383 WeakPolarHBondContact CA-OG1 3.19Å; S374-T383 PolarHBondContact O-OG1 2.96Å; S379-T383 PolarHBondContact O-N 2.85Å; S379-T383 VanDerWaalsContact O-N 3.11Å; S379-T383 PolarHBondContact O-OG1 3.35Å; P380-T383 WeakPolarHBondContact O-CB 3.47Å; P380-T383 PolarHBondContact O-N 3.12Å; T383-R385 PolarHBondContact O-N 3.24Å; T383-Y387 HydrophobicContact CG2-CD2 4.28Å; T383-Y387 WeakPolarHBondContact O-CA 3.22Å; T383-Y387 WeakPolarHBondContact O-CB 3.3Å; T383-Y387 PolarHBondContact O-N 3.04Å; T383-G388 PolarHBondContact O-N 2.91Å; T383-I391 HydrophobicContact CG2-CD1 3.7Å; T383-I391 HydrophobicContact CG2-CG1 3.91Å; T383-M404 HydrophobicContact CG2-CE 3.88Å; T383-M404 HydrophobicContact CG2-SD 3.32Å; T383-M404 WeakPolarHBondContact CG2-SD 3.17Å
384	L	95.4	Very high	93	Very high	95 Å²	95	53.5 Å²	53.5	50%	0.497	27%	0.267	S	S	.	.	H	α-helix	trans	-63.3	-42.4	178.1	-175.4	62.7	0	0	0	111.6	P380 V382 G388	P380-L384 WeakPolarHBondContact O-CB 3.49Å; P380-L384 PolarHBondContact O-N 3.21Å; V382-L384 VanDerWaalsContact C-N 3.3Å; V382-L384 PolarHBondContact O-N 2.96Å; L384-G388 WeakPolarHBondContact O-CA 3.48Å; L384-G388 PolarHBondContact O-N 3.36Å
385	R	95	Very high	93	Very high	171 Å²	171	57.1 Å²	57.1	65%	0.645	28%	0.283	S	S	*	.	H	α-helix	trans	-68.4	-44.6	179.1	-72.4	-168.4	-53.1	-92.8	4.7	113.3	N381 V382 T383	N381-R385 WeakPolarHBondContact O-CG 3.37Å; N381-R385 PolarHBondContact O-N 2.61Å; N381-R385 PolarHBondContact O-NH1 3.43Å; V382-R385 PolarHBondContact O-N 3.26Å; T383-R385 PolarHBondContact O-N 3.24Å
386	H	94	Very high	93.1	Very high	57 Å²	57	57 Å²	57	26%	0.264	28%	0.283	S	S	.	.	H	α-helix	trans	-82.4	-46	-175.9	-65	178.6	0	0	0	111.6	V349 V382	V349-H386 WeakPolarHBondContact CG1-O 3.3Å; V349-H386 HydrophobicContact CG2-CB 4.32Å; V349-H386 WeakPolarHBondContact CG2-O 3.42Å; V382-H386 PolarHBondContact O-N 3.14Å
387	Y	95.9	Very high	93.2	Very high	3 Å²	3	59.9 Å²	59.9	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-105.7	-3.1	-172.2	-59.4	-82.2	0	0	0	113.3	T347 V349 S369 D371 L375 T383 C389 M404 V405 T408 R411	T347-Y387 PolarHBondContact OG1-OH 3.14Å; T347-Y387 VanDerWaalsContact OG1-OH 3.06Å; V349-Y387 HydrophobicContact CG2-CD1 4Å; V349-Y387 HydrophobicContact CG2-CE1 3.73Å; S369-Y387 PolarHBondContact OG-OH 3.47Å; D371-Y387 PolarHBondContact OD1-OH 2.8Å; D371-Y387 WeakPolarHBondContact OD2-CE2 3.49Å; D371-Y387 PolarHBondContact OD2-OH 2.79Å; L375-Y387 HydrophobicContact CD2-CE1 4.22Å; L375-Y387 HydrophobicContact CD2-CE2 3.9Å; T383-Y387 HydrophobicContact CG2-CD2 4.28Å; T383-Y387 WeakPolarHBondContact O-CA 3.22Å; T383-Y387 WeakPolarHBondContact O-CB 3.3Å; T383-Y387 PolarHBondContact O-N 3.04Å; Y387-C389 PolarHBondContact O-N 2.95Å; Y387-C389 VanDerWaalsContact O-N 3.09Å; Y387-C389 PolarHBondContact O-SG 3.2Å; Y387-M404 HydrophobicContact CD1-CE 4.24Å; Y387-M404 HydrophobicContact CD1-CG 4.27Å; Y387-M404 HydrophobicContact CD2-CE 3.68Å; Y387-M404 HydrophobicContact CD2-SD 4.22Å; Y387-M404 HydrophobicContact CE2-CE 4.09Å; Y387-M404 HydrophobicContact CG-CE 3.77Å; Y387-M404 HydrophobicContact CG-CG 4.03Å; Y387-M404 HydrophobicContact CG-SD 3.97Å; Y387-V405 HydrophobicContact CE1-CG2 3.92Å; Y387-T408 HydrophobicContact CD1-CG2 4.4Å; Y387-T408 WeakPolarHBondContact CD1-OG1 3.34Å; Y387-T408 PolarHBondContact O-OG1 2.95Å; Y387-R411 PolarHBondContact O-NH2 3.13Å
388	G	94.6	Very high	93.6	Very high	39 Å²	39	60.7 Å²	60.7	40%	0.402	30%	0.296	S	S	.	.			trans	59.6	22.4	179.8	0	0	0	0	0	113.8	T383 L384	T383-G388 PolarHBondContact O-N 2.91Å; L384-G388 WeakPolarHBondContact O-CA 3.48Å; L384-G388 PolarHBondContact O-N 3.36Å
389	C	93.6	Very high	93.8	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.			trans	-121.6	135.8	-172.1	-65.7	0	0	0	0	110.8	Y387 I391 M404 G494 P495	Y387-C389 PolarHBondContact O-N 2.95Å; Y387-C389 VanDerWaalsContact O-N 3.09Å; Y387-C389 PolarHBondContact O-SG 3.2Å; C389-I391 HydrophobicContact CB-CG2 4.42Å; C389-M404 HydrophobicContact CB-CG 3.83Å; C389-M404 HydrophobicContact CB-SD 3.81Å; C389-G494 WeakPolarHBondContact CA-O 3.41Å; C389-P495 PolarHBondContact SG-O 3.04Å
390	H	94	Very high	94	Very high	104 Å²	104	52.6 Å²	52.6	48%	0.481	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-89.8	123.3	167	-174.1	75.7	0	0	0	109.4	L493 G494	H390-L493 CarbonylContact O-C 3.56Å; H390-L493 WeakPolarHBondContact O-CA 3.3Å; H390-G494 PolarHBondContact N-O 3.09Å; H390-G494 PolarHBondContact O-N 3.38Å
391	I	94	Very high	94.2	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.026	24%	0.235	C	C	.	.			trans	-135.5	155.5	179	65.5	172.3	0	0	0	110.7	A377 T383 C389 L400 M404	A377-I391 HydrophobicContact CB-CD1 3.73Å; A377-I391 HydrophobicContact CB-CG1 3.81Å; T383-I391 HydrophobicContact CG2-CD1 3.7Å; T383-I391 HydrophobicContact CG2-CG1 3.91Å; C389-I391 HydrophobicContact CB-CG2 4.42Å; I391-L400 HydrophobicContact CB-CD2 4.16Å; I391-L400 HydrophobicContact CG2-CD2 4.22Å; I391-L400 HydrophobicContact CG2-CG 4.34Å; I391-M404 HydrophobicContact CD1-SD 4.21Å; I391-M404 HydrophobicContact CG2-SD 4.18Å
392	V	92.3	Very high	94.3	Very high	27 Å²	27	44 Å²	44	16%	0.164	21%	0.205	C	C	.	.			trans	-124.4	169.5	171.9	-55.6	0	0	0	0	109.4	T394 V491 L493	V392-T394 HydrophobicContact CG2-CG2 3.97Å; V392-T394 PolarHBondContact O-N 3.5Å; V392-V491 HydrophobicContact CG2-CG2 4.14Å; V392-L493 HydrophobicContact CB-CD2 4.27Å; V392-L493 HydrophobicContact CG1-CD2 3.93Å; V392-L493 HydrophobicContact CG2-CD1 4.23Å; V392-L493 HydrophobicContact CG2-CD2 3.71Å
393	R	90.1	Very high	94.5	Very high	179 Å²	179	42.4 Å²	42.4	68%	0.675	20%	0.195	S	C	*	.			trans	-69.2	130.6	173.6	-59.5	-177.2	99.9	116.1	-4.8	109.5	A377	A377-R393 HydrophobicContact CB-CG 4.22Å
394	T	92.1	Very high	94.6	Very high	12 Å²	12	42.4 Å²	42.4	7%	0.074	20%	0.195	C	C	.	.			trans	-142	161.9	-178.8	56.3	0	0	0	0	108.8	V392 Y396 Y397 L400 L493	V392-T394 HydrophobicContact CG2-CG2 3.97Å; V392-T394 PolarHBondContact O-N 3.5Å; T394-Y396 VanDerWaalsContact C-N 3.27Å; T394-Y396 HydrophobicContact CG2-CE1 4.09Å; T394-Y396 HydrophobicContact CG2-CE2 4.26Å; T394-Y396 PolarHBondContact O-N 2.98Å; T394-Y397 WeakPolarHBondContact O-CB 3.48Å; T394-Y397 VanDerWaalsContact O-CD1 3.29Å; T394-Y397 WeakPolarHBondContact O-CD1 3.14Å; T394-Y397 PolarHBondContact O-N 2.67Å; T394-Y397 PolarHBondContact OG1-N 2.9Å; T394-L400 HydrophobicContact CG2-CD2 4.45Å; T394-L493 HydrophobicContact CG2-CD1 4.26Å
395	E	91.6	Very high	94.7	Very high	83 Å²	83	38 Å²	38	39%	0.388	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-25.2	176.9	-62.4	-64.4	145.9	0	0	112.4	Y397 E462 Y601 R606	E395-Y397 VanDerWaalsContact C-N 3.31Å; E395-Y397 PolarHBondContact O-N 3.46Å; E395-E462 WeakPolarHBondContact CG-OE1 3.47Å; E395-E462 WeakPolarHBondContact CG-OE2 3.31Å; E395-Y601 PolarHBondContact O-OH 2.91Å; E395-Y601 VanDerWaalsContact O-OH 3.06Å; E395-R606 HydrophobicContact CG-CB 4.24Å; E395-R606 HydrophobicContact CG-CG 3.84Å
396	Y	93.9	Very high	94.9	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	24.8	177.6	56.6	-91	0	0	0	113.1	T394 K398 E399 L400 L455 H457 R464 F600 Y601	T394-Y396 VanDerWaalsContact C-N 3.27Å; T394-Y396 HydrophobicContact CG2-CE1 4.09Å; T394-Y396 HydrophobicContact CG2-CE2 4.26Å; T394-Y396 PolarHBondContact O-N 2.98Å; Y396-K398 PolarHBondContact O-N 3.26Å; Y396-K398 VanDerWaalsContact O-N 3.1Å; Y396-E399 PolarHBondContact O-N 2.94Å; Y396-E399 VanDerWaalsContact O-N 3.11Å; Y396-L400 HydrophobicContact CD2-CB 4.19Å; Y396-L400 HydrophobicContact CE2-CB 4.42Å; Y396-L400 HydrophobicContact CE2-CD1 4.42Å; Y396-L400 PolarHBondContact O-N 3.06Å; Y396-L455 HydrophobicContact CE2-CD2 4.13Å; Y396-H457 AromaticContact CE1-CE1 3.88Å; Y396-H457 AromaticContact CE1-ND1 3.87Å; Y396-H457 AromaticContact CZ-ND1 3.9Å; Y396-H457 PolarHBondContact OH-ND1 3.32Å; Y396-R464 VanDerWaalsContact CZ-CD 3.41Å; Y396-F600 AromaticContact CD2-CD1 3.22Å; Y396-F600 HydrophobicContact CD2-CD1 3.22Å; Y396-F600 AromaticContact CD2-CE1 3.42Å; Y396-F600 HydrophobicContact CD2-CE1 3.42Å; Y396-F600 VanDerWaalsContact CD2-CE1 3.42Å; Y396-F600 AromaticContact CD2-CG 4Å; Y396-F600 HydrophobicContact CD2-CG 4Å; Y396-F600 HydrophobicContact CD2-CZ 4.34Å; Y396-F600 AromaticContact CE2-CD1 3.79Å; Y396-F600 HydrophobicContact CE2-CD1 3.79Å; Y396-F600 AromaticContact CE2-CE1 3.67Å; Y396-F600 HydrophobicContact CE2-CE1 3.67Å; Y396-F600 HydrophobicContact CE2-CG 4.35Å; Y396-F600 HydrophobicContact CE2-CZ 4.16Å; Y396-F600 AromaticContact CG-CD1 3.88Å; Y396-F600 HydrophobicContact CG-CD1 3.88Å; Y396-F600 HydrophobicContact CG-CE1 4.49Å; Y396-F600 HydrophobicContact CG-CG 4.43Å; Y396-Y601 WeakPolarHBondContact CA-OH 3.17Å
397	Y	93.9	Very high	95.1	Very high	84 Å²	84	27.2 Å²	27.2	33%	0.329	13%	0.129	S	C	.	.	H	α-helix	trans	-58.3	-28.1	-171.3	68.6	-86.1	0	0	0	114.5	Y376 T394 E395 A401	Y376-Y397 AromaticContact CD1-CD2 3.39Å; Y376-Y397 HydrophobicContact CD1-CD2 3.39Å; Y376-Y397 AromaticContact CD1-CE2 3.78Å; Y376-Y397 HydrophobicContact CD1-CE2 3.78Å; Y376-Y397 HydrophobicContact CD2-CD2 4.29Å; Y376-Y397 AromaticContact CD2-CE2 3.93Å; Y376-Y397 HydrophobicContact CD2-CE2 3.93Å; Y376-Y397 AromaticContact CE1-CD2 3.92Å; Y376-Y397 HydrophobicContact CE1-CD2 3.92Å; Y376-Y397 HydrophobicContact CE1-CE2 4.03Å; Y376-Y397 HydrophobicContact CE2-CE2 4.19Å; Y376-Y397 AromaticContact CG-CD2 3.59Å; Y376-Y397 HydrophobicContact CG-CD2 3.59Å; Y376-Y397 AromaticContact CG-CE2 3.71Å; Y376-Y397 HydrophobicContact CG-CE2 3.71Å; T394-Y397 WeakPolarHBondContact O-CB 3.48Å; T394-Y397 VanDerWaalsContact O-CD1 3.29Å; T394-Y397 WeakPolarHBondContact O-CD1 3.14Å; T394-Y397 PolarHBondContact O-N 2.67Å; T394-Y397 PolarHBondContact OG1-N 2.9Å; E395-Y397 VanDerWaalsContact C-N 3.31Å; E395-Y397 PolarHBondContact O-N 3.46Å; Y397-A401 WeakPolarHBondContact O-CB 3.21Å; Y397-A401 PolarHBondContact O-N 2.67Å
398	K	95.4	Very high	95.1	Very high	26 Å²	26	27.5 Å²	27.5	11%	0.113	13%	0.131	C	C	.	.	H	α-helix	trans	-70.1	-43.3	177.2	-70.2	172.7	176.5	-179.9	0	112.1	Y376 Y396 A401 A402 A427 F636	Y376-K398 HydrophobicContact CE1-CG 4.26Å; Y396-K398 PolarHBondContact O-N 3.26Å; Y396-K398 VanDerWaalsContact O-N 3.1Å; K398-A401 WeakPolarHBondContact O-CB 3.4Å; K398-A401 PolarHBondContact O-N 3.22Å; K398-A402 PolarHBondContact O-N 2.7Å; K398-A427 HydrophobicContact CB-CB 4.09Å; K398-F636 HydrophobicContact CB-CB 4.2Å; K398-F636 HydrophobicContact CB-CD1 3.76Å; K398-F636 HydrophobicContact CB-CG 4.37Å; K398-F636 WeakPolarHBondContact CD-O 3.33Å; K398-F636 PolarHBondContact NZ-O 3.19Å
399	E	96.3	Very high	95.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.5	-37.4	173.1	-175.6	167.4	160.6	0	0	111.1	Y396 A401 A402 R403 L501 F600 Y601 F636 R642	Y396-E399 PolarHBondContact O-N 2.94Å; Y396-E399 VanDerWaalsContact O-N 3.11Å; E399-A401 VanDerWaalsContact C-N 3.28Å; E399-A401 PolarHBondContact O-N 2.81Å; E399-A402 PolarHBondContact O-N 3.36Å; E399-R403 HydrophobicContact CG-CG 4.33Å; E399-R403 WeakPolarHBondContact O-CB 3.46Å; E399-R403 WeakPolarHBondContact O-CG 3.44Å; E399-R403 PolarHBondContact O-N 3.1Å; E399-R403 IonicContact OE1-CZ 2.65Å; E399-R403 VanDerWaalsContact OE1-CZ 3.29Å; E399-R403 IonicContact OE1-NE 3.05Å; E399-R403 PolarHBondContact OE1-NE 3.04Å; E399-R403 IonicContact OE1-NH2 2.68Å; E399-R403 PolarHBondContact OE1-NH2 3.4Å; E399-L501 HydrophobicContact CG-CD1 3.85Å; E399-F600 HydrophobicContact CB-CD1 4.06Å; E399-F600 HydrophobicContact CB-CE1 4.4Å; E399-F600 VanDerWaalsContact CD-CA 3.43Å; E399-F600 HydrophobicContact CG-CD1 3.85Å; E399-F600 HydrophobicContact CG-CE1 4.09Å; E399-F600 VanDerWaalsContact OE1-CA 3.3Å; E399-F600 WeakPolarHBondContact OE1-CA 3.3Å; E399-F600 PolarHBondContact OE1-N 3.4Å; E399-F600 WeakPolarHBondContact OE2-CA 3.2Å; E399-Y601 HydrophobicContact CB-CD1 4.48Å; E399-Y601 HydrophobicContact CB-CE1 4.19Å; E399-F636 HydrophobicContact CB-CD1 4.26Å; E399-F636 HydrophobicContact CB-CD2 3.68Å; E399-F636 HydrophobicContact CB-CE1 4.19Å; E399-F636 HydrophobicContact CB-CE2 3.64Å; E399-F636 HydrophobicContact CB-CG 4.02Å; E399-F636 HydrophobicContact CB-CZ 3.9Å; E399-F636 HydrophobicContact CG-CD2 4.13Å; E399-F636 HydrophobicContact CG-CE2 3.65Å; E399-F636 HydrophobicContact CG-CZ 3.95Å; E399-R642 VanDerWaalsContact CD-NH2 3.34Å; E399-R642 IonicContact OE1-CZ 3.02Å; E399-R642 IonicContact OE1-NH1 3.79Å; E399-R642 PolarHBondContact OE1-NH1 2.91Å; E399-R642 VanDerWaalsContact OE1-NH1 3.1Å; E399-R642 IonicContact OE1-NH2 3.16Å; E399-R642 IonicContact OE2-CZ 2.66Å; E399-R642 IonicContact OE2-NH1 3.87Å; E399-R642 PolarHBondContact OE2-NH1 2.99Å; E399-R642 IonicContact OE2-NH2 3.96Å; E399-R642 PolarHBondContact OE2-NH2 3.16Å
400	L	96.2	Very high	95.5	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-56.6	-44.4	173.4	-175.4	64	0	0	0	111	I391 T394 Y396 R403 M404 L493 L496 F600	I391-L400 HydrophobicContact CB-CD2 4.16Å; I391-L400 HydrophobicContact CG2-CD2 4.22Å; I391-L400 HydrophobicContact CG2-CG 4.34Å; T394-L400 HydrophobicContact CG2-CD2 4.45Å; Y396-L400 HydrophobicContact CD2-CB 4.19Å; Y396-L400 HydrophobicContact CE2-CB 4.42Å; Y396-L400 HydrophobicContact CE2-CD1 4.42Å; Y396-L400 PolarHBondContact O-N 3.06Å; L400-R403 PolarHBondContact O-N 2.84Å; L400-M404 VanDerWaalsContact O-CB 3.31Å; L400-M404 WeakPolarHBondContact O-CB 3.47Å; L400-M404 PolarHBondContact O-N 3.38Å; L400-L493 HydrophobicContact CD2-CD1 4.36Å; L400-L496 HydrophobicContact CD1-CD1 3.32Å; L400-L496 HydrophobicContact CD1-CD2 3.77Å; L400-L496 HydrophobicContact CD1-CG 4.17Å; L400-F600 HydrophobicContact CB-CE1 4.45Å; L400-F600 HydrophobicContact CD1-CE1 4.48Å
401	A	96.3	Very high	95.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.9	-46.9	175.3	0	0	0	0	0	112.3	L375 Y376 Y397 K398 E399 R403 M404 V405 V432	L375-A401 HydrophobicContact CB-CB 4Å; L375-A401 HydrophobicContact CD2-CB 4.44Å; Y376-A401 HydrophobicContact CD1-CB 3.97Å; Y376-A401 HydrophobicContact CE1-CB 3.79Å; Y397-A401 WeakPolarHBondContact O-CB 3.21Å; Y397-A401 PolarHBondContact O-N 2.67Å; K398-A401 WeakPolarHBondContact O-CB 3.4Å; K398-A401 PolarHBondContact O-N 3.22Å; E399-A401 VanDerWaalsContact C-N 3.28Å; E399-A401 PolarHBondContact O-N 2.81Å; A401-R403 PolarHBondContact O-N 3.24Å; A401-M404 WeakPolarHBondContact O-CB 3.4Å; A401-M404 PolarHBondContact O-N 2.82Å; A401-V405 WeakPolarHBondContact O-CG2 3.23Å; A401-V405 PolarHBondContact O-N 3.37Å; A401-V432 HydrophobicContact CB-CG2 4.4Å
402	A	97.2	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.9	-48.2	176.7	0	0	0	0	0	111.7	K398 E399 M404 V405 V406 A425 V432 F636	K398-A402 PolarHBondContact O-N 2.7Å; E399-A402 PolarHBondContact O-N 3.36Å; A402-M404 VanDerWaalsContact C-N 3.29Å; A402-M404 PolarHBondContact O-N 2.88Å; A402-V405 PolarHBondContact O-N 2.66Å; A402-V406 VanDerWaalsContact O-CG2 3.29Å; A402-V406 WeakPolarHBondContact O-CG2 3.36Å; A402-V406 PolarHBondContact O-N 3.25Å; A402-A425 HydrophobicContact CB-CB 4.3Å; A402-V432 HydrophobicContact CB-CG1 4.35Å; A402-F636 HydrophobicContact CB-CE1 4.04Å; A402-F636 HydrophobicContact CB-CZ 4.1Å
403	R	97.9	Very high	96.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-64.2	-32.2	177.4	-71.2	178	178.9	-75	-5.3	113.1	E399 L400 A401 A407 L496 W497 G499 L501 F600	E399-R403 HydrophobicContact CG-CG 4.33Å; E399-R403 WeakPolarHBondContact O-CB 3.46Å; E399-R403 WeakPolarHBondContact O-CG 3.44Å; E399-R403 PolarHBondContact O-N 3.1Å; E399-R403 IonicContact OE1-CZ 2.65Å; E399-R403 VanDerWaalsContact OE1-CZ 3.29Å; E399-R403 IonicContact OE1-NE 3.05Å; E399-R403 PolarHBondContact OE1-NE 3.04Å; E399-R403 IonicContact OE1-NH2 2.68Å; E399-R403 PolarHBondContact OE1-NH2 3.4Å; L400-R403 PolarHBondContact O-N 2.84Å; A401-R403 PolarHBondContact O-N 3.24Å; R403-A407 VanDerWaalsContact O-CB 3.31Å; R403-A407 WeakPolarHBondContact O-CB 3.38Å; R403-A407 PolarHBondContact O-N 3.14Å; R403-L496 HydrophobicContact CB-CB 4.33Å; R403-W497 HydrophobicContact CB-CB 4.35Å; R403-W497 WeakPolarHBondContact CD-O 3.37Å; R403-W497 WeakPolarHBondContact CG-O 3.42Å; R403-W497 PolarHBondContact NH1-O 3.16Å; R403-W497 WeakPolarHBondContact O-CB 3.41Å; R403-W497 PolarHBondContact O-N 2.97Å; R403-W497 VanDerWaalsContact O-N 3.12Å; R403-G499 PolarHBondContact NH1-O 3.39Å; R403-L501 HydrophobicContact CG-CD1 4.09Å; R403-L501 HydrophobicContact CG-CD2 3.97Å; R403-L501 HydrophobicContact CG-CG 4.44Å; R403-F600 VanDerWaalsContact CD-CZ 3.5Å
404	M	97.1	Very high	96.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.6	-45.5	174.4	178.5	179.1	71.8	0	0	111.7	L375 T383 Y387 C389 I391 L400 A401 A402 A407 T408 L496	L375-M404 HydrophobicContact CD2-CE 3.56Å; T383-M404 HydrophobicContact CG2-CE 3.88Å; T383-M404 HydrophobicContact CG2-SD 3.32Å; T383-M404 WeakPolarHBondContact CG2-SD 3.17Å; Y387-M404 HydrophobicContact CD1-CE 4.24Å; Y387-M404 HydrophobicContact CD1-CG 4.27Å; Y387-M404 HydrophobicContact CD2-CE 3.68Å; Y387-M404 HydrophobicContact CD2-SD 4.22Å; Y387-M404 HydrophobicContact CE2-CE 4.09Å; Y387-M404 HydrophobicContact CG-CE 3.77Å; Y387-M404 HydrophobicContact CG-CG 4.03Å; Y387-M404 HydrophobicContact CG-SD 3.97Å; C389-M404 HydrophobicContact CB-CG 3.83Å; C389-M404 HydrophobicContact CB-SD 3.81Å; I391-M404 HydrophobicContact CD1-SD 4.21Å; I391-M404 HydrophobicContact CG2-SD 4.18Å; L400-M404 VanDerWaalsContact O-CB 3.31Å; L400-M404 WeakPolarHBondContact O-CB 3.47Å; L400-M404 PolarHBondContact O-N 3.38Å; A401-M404 WeakPolarHBondContact O-CB 3.4Å; A401-M404 PolarHBondContact O-N 2.82Å; A402-M404 VanDerWaalsContact C-N 3.29Å; A402-M404 PolarHBondContact O-N 2.88Å; M404-A407 WeakPolarHBondContact O-CB 3.38Å; M404-A407 PolarHBondContact O-N 2.93Å; M404-T408 PolarHBondContact O-N 3.39Å; M404-T408 PolarHBondContact O-OG1 2.94Å; M404-L496 HydrophobicContact CB-CD2 3.97Å
405	V	97.6	Very high	96.7	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.018	9%	0.093	C	C	.	.	H	α-helix	trans	-60.9	-47.6	176	175.2	0	0	0	0	110	L375 Y387 A401 A402 A407 T408 V409 V432 V434	L375-V405 HydrophobicContact CD2-CG2 3.62Å; Y387-V405 HydrophobicContact CE1-CG2 3.92Å; A401-V405 WeakPolarHBondContact O-CG2 3.23Å; A401-V405 PolarHBondContact O-N 3.37Å; A402-V405 PolarHBondContact O-N 2.66Å; V405-A407 VanDerWaalsContact C-N 3.29Å; V405-A407 PolarHBondContact O-N 3.41Å; V405-T408 PolarHBondContact O-N 2.74Å; V405-T408 VanDerWaalsContact O-N 3.14Å; V405-V409 HydrophobicContact CG1-CG2 4.4Å; V405-V409 WeakPolarHBondContact O-CG2 3.49Å; V405-V409 PolarHBondContact O-N 3.21Å; V405-V432 HydrophobicContact CG2-CG1 4.1Å; V405-V434 HydrophobicContact CB-CG2 4.09Å; V405-V434 HydrophobicContact CG1-CB 4.18Å; V405-V434 HydrophobicContact CG1-CG2 3.74Å
406	V	98.4	Very high	97	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.3	-41.6	175.5	178.2	0	0	0	0	111.4	A402 T408 V409 A410 I420 V422 V434 W497 L501	A402-V406 VanDerWaalsContact O-CG2 3.29Å; A402-V406 WeakPolarHBondContact O-CG2 3.36Å; A402-V406 PolarHBondContact O-N 3.25Å; V406-T408 VanDerWaalsContact C-N 3.31Å; V406-T408 PolarHBondContact O-N 3.05Å; V406-V409 PolarHBondContact O-N 3.21Å; V406-A410 WeakPolarHBondContact O-CB 3.42Å; V406-A410 PolarHBondContact O-N 3.01Å; V406-I420 HydrophobicContact CG1-CD1 3.95Å; V406-V422 HydrophobicContact CG1-CG2 3.58Å; V406-V422 HydrophobicContact CG2-CG2 4.42Å; V406-V434 HydrophobicContact CG2-CB 4.43Å; V406-V434 HydrophobicContact CG2-CG1 3.66Å; V406-V434 HydrophobicContact CG2-CG2 3.83Å; V406-W497 HydrophobicContact CB-CB 3.83Å; V406-W497 HydrophobicContact CB-CG 4.03Å; V406-W497 HydrophobicContact CG1-CB 3.65Å; V406-W497 HydrophobicContact CG1-CD2 3.47Å; V406-W497 VanDerWaalsContact CG1-CD2 3.47Å; V406-W497 HydrophobicContact CG1-CE3 3.94Å; V406-W497 HydrophobicContact CG1-CG 3.34Å; V406-L501 HydrophobicContact CG2-CD2 4.21Å
407	A	98.1	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.8	-41.1	177.7	0	0	0	0	0	112.2	R403 M404 V405 R411 L452	R403-A407 VanDerWaalsContact O-CB 3.31Å; R403-A407 WeakPolarHBondContact O-CB 3.38Å; R403-A407 PolarHBondContact O-N 3.14Å; M404-A407 WeakPolarHBondContact O-CB 3.38Å; M404-A407 PolarHBondContact O-N 2.93Å; V405-A407 VanDerWaalsContact C-N 3.29Å; V405-A407 PolarHBondContact O-N 3.41Å; A407-R411 WeakPolarHBondContact O-CG 3.5Å; A407-R411 PolarHBondContact O-N 2.63Å; A407-L452 HydrophobicContact CB-CD2 3.76Å
408	T	97.6	Very high	97.3	Very high	10 Å²	10	20.4 Å²	20.4	6%	0.061	10%	0.098	C	C	.	.	H	α-helix	trans	-68.1	-41.6	176.9	-57.1	0	0	0	0	112	V349 L352 Y387 M404 V405 V406 R411 A412	V349-T408 HydrophobicContact CG1-CG2 4.42Å; V349-T408 HydrophobicContact CG2-CG2 3.99Å; L352-T408 HydrophobicContact CD1-CG2 3.87Å; Y387-T408 HydrophobicContact CD1-CG2 4.4Å; Y387-T408 WeakPolarHBondContact CD1-OG1 3.34Å; Y387-T408 PolarHBondContact O-OG1 2.95Å; M404-T408 PolarHBondContact O-N 3.39Å; M404-T408 PolarHBondContact O-OG1 2.94Å; V405-T408 PolarHBondContact O-N 2.74Å; V405-T408 VanDerWaalsContact O-N 3.14Å; V406-T408 VanDerWaalsContact C-N 3.31Å; V406-T408 PolarHBondContact O-N 3.05Å; T408-R411 PolarHBondContact O-N 3.16Å; T408-R411 PolarHBondContact OG1-NH2 3.03Å; T408-A412 PolarHBondContact O-N 3.35Å
409	V	98.3	Very high	97.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-46.7	174.1	172.1	0	0	0	0	110.9	L352 F356 V367 V405 V406 R411 A412 A413 I420 V436	L352-V409 HydrophobicContact CD1-CG2 4.19Å; L352-V409 HydrophobicContact CD2-CG2 4.06Å; F356-V409 HydrophobicContact CE2-CG1 3.77Å; F356-V409 WeakPolarHBondContact CE2-O 3.37Å; F356-V409 HydrophobicContact CZ-CG1 3.53Å; V367-V409 HydrophobicContact CG2-CG2 4.21Å; V405-V409 HydrophobicContact CG1-CG2 4.4Å; V405-V409 WeakPolarHBondContact O-CG2 3.49Å; V405-V409 PolarHBondContact O-N 3.21Å; V406-V409 PolarHBondContact O-N 3.21Å; V409-R411 PolarHBondContact O-N 3.04Å; V409-A412 PolarHBondContact O-N 3.27Å; V409-A413 PolarHBondContact O-N 3.06Å; V409-I420 HydrophobicContact CG1-CD1 4.31Å; V409-V436 HydrophobicContact CG1-CG1 4.19Å; V409-V436 HydrophobicContact CG1-CG2 3.82Å
410	A	98.3	Very high	97.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-42.3	177.3	0	0	0	0	0	112.4	V406 A413 A414 I420 L452 W497	V406-A410 WeakPolarHBondContact O-CB 3.42Å; V406-A410 PolarHBondContact O-N 3.01Å; A410-A413 PolarHBondContact O-N 2.81Å; A410-A414 WeakPolarHBondContact O-CB 3.38Å; A410-A414 PolarHBondContact O-N 3.01Å; A410-I420 HydrophobicContact CB-CD1 3.6Å; A410-I420 HydrophobicContact CB-CG1 3.99Å; A410-L452 HydrophobicContact CB-CD2 4.01Å; A410-W497 HydrophobicContact CB-CE3 4.25Å; A410-W497 HydrophobicContact CB-CZ3 4.07Å
411	R	97.5	Very high	97.7	Very high	56 Å²	56	22.1 Å²	22.1	21%	0.211	11%	0.106	C	C	.	.	H	α-helix	trans	-65.9	-37.8	176.8	-72.6	-170.8	-53.9	-91.6	-4.1	112.4	Y387 A407 T408 V409 R415 L452	Y387-R411 PolarHBondContact O-NH2 3.13Å; A407-R411 WeakPolarHBondContact O-CG 3.5Å; A407-R411 PolarHBondContact O-N 2.63Å; T408-R411 PolarHBondContact O-N 3.16Å; T408-R411 PolarHBondContact OG1-NH2 3.03Å; V409-R411 PolarHBondContact O-N 3.04Å; R411-R415 PolarHBondContact O-N 3.36Å; R411-R415 PolarHBondContact O-NH1 3.23Å; R411-L452 HydrophobicContact CG-CD1 3.42Å; R411-L452 VanDerWaalsContact CG-CD1 3.42Å
412	A	97.6	Very high	97.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.8	-43.7	175.2	0	0	0	0	0	111.8	L352 F356 T408 V409 A414 R415	L352-A412 HydrophobicContact CB-CB 3.71Å; L352-A412 HydrophobicContact CD1-CB 4.37Å; F356-A412 HydrophobicContact CD2-CB 3.87Å; F356-A412 HydrophobicContact CE2-CB 4.21Å; T408-A412 PolarHBondContact O-N 3.35Å; V409-A412 PolarHBondContact O-N 3.27Å; A412-A414 PolarHBondContact O-N 3.13Å; A412-R415 PolarHBondContact O-N 3.07Å
413	A	98.2	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.7	-45.1	174.5	0	0	0	0	0	112.2	F356 V409 A410 R415 C416 K418 I420	F356-A413 HydrophobicContact CD1-CB 3.56Å; F356-A413 HydrophobicContact CD2-CB 4.27Å; F356-A413 HydrophobicContact CE1-CB 3.42Å; F356-A413 VanDerWaalsContact CE1-CB 3.42Å; F356-A413 HydrophobicContact CE2-CB 4.18Å; F356-A413 HydrophobicContact CG-CB 4Å; F356-A413 HydrophobicContact CZ-CB 3.78Å; V409-A413 PolarHBondContact O-N 3.06Å; A410-A413 PolarHBondContact O-N 2.81Å; A413-R415 VanDerWaalsContact C-N 3.32Å; A413-R415 PolarHBondContact O-N 3.35Å; A413-C416 CarbonylContact O-C 3.09Å; A413-C416 WeakPolarHBondContact O-CA 3.16Å; A413-C416 WeakPolarHBondContact O-CB 3.43Å; A413-C416 PolarHBondContact O-N 2.66Å; A413-K418 CarbonylContact C-O 3.57Å; A413-K418 HydrophobicContact CB-CB 4.38Å; A413-K418 WeakPolarHBondContact CB-O 3.31Å; A413-K418 PolarHBondContact O-N 3.32Å; A413-K418 VanDerWaalsContact O-N 3.1Å; A413-K418 VanDerWaalsContact O-O 3.1Å; A413-I420 HydrophobicContact CB-CG2 3.6Å
414	A	97.6	Very high	97.8	Very high	29 Å²	29	22.4 Å²	22.4	24%	0.24	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-37.8	-176.9	0	0	0	0	0	112.6	A410 A412 C416 N417 K418 A445	A410-A414 WeakPolarHBondContact O-CB 3.38Å; A410-A414 PolarHBondContact O-N 3.01Å; A412-A414 PolarHBondContact O-N 3.13Å; A414-C416 PolarHBondContact O-N 2.81Å; A414-C416 VanDerWaalsContact O-N 3.07Å; A414-N417 PolarHBondContact O-N 3.19Å; A414-K418 WeakPolarHBondContact CA-O 3.46Å; A414-K418 PolarHBondContact N-O 2.67Å; A414-A445 HydrophobicContact CB-CB 4.38Å
415	R	96.4	Very high	97.8	Very high	147 Å²	147	22.4 Å²	22.4	56%	0.555	11%	0.108	S	C	*	.	H	α-helix	trans	-56.9	-23.9	173.1	-72.3	-170.5	-68	-92.2	16.4	113.4	D353 R411 A412 A413	D353-R415 IonicContact OD1-CZ 3.41Å; D353-R415 IonicContact OD1-NE 3.55Å; D353-R415 PolarHBondContact OD1-NE 3.44Å; D353-R415 IonicContact OD1-NH2 2.67Å; D353-R415 PolarHBondContact OD1-NH2 3.16Å; D353-R415 IonicContact OD2-CZ 3.85Å; D353-R415 IonicContact OD2-NE 3.48Å; D353-R415 IonicContact OD2-NH2 2.75Å; D353-R415 PolarHBondContact OD2-NH2 2.94Å; R411-R415 PolarHBondContact O-N 3.36Å; R411-R415 PolarHBondContact O-NH1 3.23Å; A412-R415 PolarHBondContact O-N 3.07Å; A413-R415 VanDerWaalsContact C-N 3.32Å; A413-R415 PolarHBondContact O-N 3.35Å
416	C	96.3	Very high	97.8	Very high	28 Å²	28	22.3 Å²	22.3	19%	0.189	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	15.8	-179.4	-60.2	0	0	0	0	113.2	F356 A413 A414 K418	F356-C416 HydrophobicContact CB-CB 4.35Å; A413-C416 CarbonylContact O-C 3.09Å; A413-C416 WeakPolarHBondContact O-CA 3.16Å; A413-C416 WeakPolarHBondContact O-CB 3.43Å; A413-C416 PolarHBondContact O-N 2.66Å; A414-C416 PolarHBondContact O-N 2.81Å; A414-C416 VanDerWaalsContact O-N 3.07Å; C416-K418 VanDerWaalsContact C-N 3.28Å; C416-K418 HydrophobicContact CB-CG 4.42Å; C416-K418 WeakPolarHBondContact O-CG 3.4Å; C416-K418 PolarHBondContact O-N 2.9Å; C416-K418 PolarHBondContact O-NZ 2.97Å
417	N	97.3	Very high	97.6	Very high	101 Å²	101	22.3 Å²	22.3	54%	0.54	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	41.9	-172.5	-63.5	-39.1	0	0	0	112.7	A414 G441	A414-N417 PolarHBondContact O-N 3.19Å; N417-G441 CarbonylContact O-C 3.59Å; N417-G441 WeakPolarHBondContact O-CA 3.46Å; N417-G441 PolarHBondContact O-N 2.73Å
418	K	98.3	Very high	97.1	Very high	22 Å²	22	24 Å²	24	10%	0.096	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138	176.7	-58.4	-176.6	-176.5	74	0	110.3	F356 R357 V359 A413 A414 C416 V438 L439	F356-K418 WeakPolarHBondContact O-CD 3.32Å; F356-K418 WeakPolarHBondContact O-CE 3.37Å; F356-K418 PolarHBondContact O-NZ 3.11Å; R357-K418 PolarHBondContact O-NZ 3.1Å; V359-K418 HydrophobicContact CG1-CD 4.08Å; A413-K418 CarbonylContact C-O 3.57Å; A413-K418 HydrophobicContact CB-CB 4.38Å; A413-K418 WeakPolarHBondContact CB-O 3.31Å; A413-K418 PolarHBondContact O-N 3.32Å; A413-K418 VanDerWaalsContact O-N 3.1Å; A413-K418 VanDerWaalsContact O-O 3.1Å; A414-K418 WeakPolarHBondContact CA-O 3.46Å; A414-K418 PolarHBondContact N-O 2.67Å; C416-K418 VanDerWaalsContact C-N 3.28Å; C416-K418 HydrophobicContact CB-CG 4.42Å; C416-K418 WeakPolarHBondContact O-CG 3.4Å; C416-K418 PolarHBondContact O-N 2.9Å; C416-K418 PolarHBondContact O-NZ 2.97Å; K418-V438 HydrophobicContact CB-CG1 3.89Å; K418-V438 HydrophobicContact CD-CG1 3.62Å; K418-V438 HydrophobicContact CG-CG1 4.22Å; K418-L439 CarbonylContact C-O 3.43Å; K418-L439 WeakPolarHBondContact CA-O 3.49Å
419	G	98.3	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	171.9	166.8	0	0	0	0	0	112.4	L439 Q444 S448	G419-L439 PolarHBondContact N-O 3.37Å; G419-L439 PolarHBondContact O-N 3.24Å; G419-Q444 VanDerWaalsContact CA-O 3.24Å; G419-Q444 WeakPolarHBondContact CA-O 3.34Å; G419-S448 WeakPolarHBondContact CA-OG 3.5Å
420	I	98.6	Very high	95.4	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.9	174.6	64.7	161	0	0	0	111.7	F356 V406 V409 A410 A413 V422 V436 R437 S448 W497	F356-I420 HydrophobicContact CE1-CG2 3.99Å; F356-I420 HydrophobicContact CZ-CG2 4.08Å; V406-I420 HydrophobicContact CG1-CD1 3.95Å; V409-I420 HydrophobicContact CG1-CD1 4.31Å; A410-I420 HydrophobicContact CB-CD1 3.6Å; A410-I420 HydrophobicContact CB-CG1 3.99Å; A413-I420 HydrophobicContact CB-CG2 3.6Å; I420-V422 HydrophobicContact CD1-CG2 4.45Å; I420-V436 HydrophobicContact CB-CB 4.29Å; I420-V436 HydrophobicContact CD1-CG1 4.09Å; I420-V436 HydrophobicContact CG2-CG2 4.37Å; I420-R437 WeakPolarHBondContact CA-O 3.48Å; I420-S448 PolarHBondContact N-OG 3.03Å; I420-W497 HydrophobicContact CD1-CH2 4.31Å; I420-W497 HydrophobicContact CD1-CZ3 4.22Å; I420-W497 HydrophobicContact CG1-CH2 4.06Å; I420-W497 HydrophobicContact CG1-CZ3 4.2Å
421	E	98	Very high	95.2	Very high	62 Å²	62	33.9 Å²	33.9	29%	0.29	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.5	163.3	-179.9	-171.2	179.4	0	0	108.1	L423 V436 R437 L439 N503	E421-L423 PolarHBondContact O-N 3.34Å; E421-V436 CarbonylContact O-C 3.52Å; E421-V436 VanDerWaalsContact O-CA 3.27Å; E421-V436 WeakPolarHBondContact O-CA 3.46Å; E421-R437 HydrophobicContact CB-CB 4.28Å; E421-R437 PolarHBondContact N-O 2.91Å; E421-R437 PolarHBondContact O-N 2.81Å; E421-L439 HydrophobicContact CB-CD1 4.31Å; E421-N503 PolarHBondContact OE1-ND2 2.81Å
422	V	98.4	Very high	95.1	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.042	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	119	179	-172.1	0	0	0	0	108.9	V406 I420 V436 W497 L501	V406-V422 HydrophobicContact CG1-CG2 3.58Å; V406-V422 HydrophobicContact CG2-CG2 4.42Å; I420-V422 HydrophobicContact CD1-CG2 4.45Å; V422-V436 HydrophobicContact CG2-CG1 4.39Å; V422-W497 HydrophobicContact CG2-CZ2 3.81Å; V422-L501 WeakPolarHBondContact CG1-O 3.32Å
423	L	98.2	Very high	95.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-42.9	178.5	-60.8	177.7	0	0	0	110.9	I364 E421 V435 R437 N503 F506	I364-L423 HydrophobicContact CD1-CD1 3.58Å; I364-L423 HydrophobicContact CG1-CD1 3.92Å; I364-L423 HydrophobicContact CG2-CD1 4.47Å; E421-L423 PolarHBondContact O-N 3.34Å; L423-V435 HydrophobicContact CB-CG1 4.4Å; L423-V435 HydrophobicContact CD1-CG1 4.2Å; L423-V435 PolarHBondContact N-O 3.05Å; L423-R437 HydrophobicContact CD1-CB 4.02Å; L423-R437 HydrophobicContact CD2-CB 4.18Å; L423-R437 HydrophobicContact CG-CB 4.12Å; L423-N503 HydrophobicContact CD2-CB 4.18Å; L423-N503 PolarHBondContact O-N 3.46Å; L423-F506 HydrophobicContact CB-CD1 3.76Å; L423-F506 HydrophobicContact CB-CE1 4Å; L423-F506 HydrophobicContact CB-CG 4.1Å; L423-F506 HydrophobicContact CD1-CD1 4.32Å; L423-F506 HydrophobicContact CD1-CD2 4.03Å; L423-F506 HydrophobicContact CD1-CE1 4.03Å; L423-F506 HydrophobicContact CD1-CE2 3.74Å; L423-F506 HydrophobicContact CD1-CG 4.32Å; L423-F506 HydrophobicContact CD1-CZ 3.74Å; L423-F506 HydrophobicContact CD2-CB 4.24Å; L423-F506 HydrophobicContact CD2-CD2 4.03Å; L423-F506 HydrophobicContact CD2-CG 4.02Å; L423-F506 HydrophobicContact CG-CD1 4.44Å; L423-F506 HydrophobicContact CG-CD2 4.47Å; L423-F506 HydrophobicContact CG-CG 4.38Å
424	L	97.4	Very high	95.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	137.7	179.3	170.2	62.2	0	0	0	110.4	L231 V426 V435 L501 F502 L507 M510 L529	L231-L424 HydrophobicContact CD2-CD2 4.26Å; L424-V426 HydrophobicContact CD1-CG2 3.52Å; L424-V426 HydrophobicContact CD2-CG2 3.87Å; L424-V426 HydrophobicContact CG-CG2 3.76Å; L424-V435 HydrophobicContact CB-CB 4.49Å; L424-V435 PolarHBondContact N-O 3.09Å; L424-V435 PolarHBondContact O-N 3.45Å; L424-L501 CarbonylContact C-O 3.08Å; L424-L501 WeakPolarHBondContact CA-O 3.11Å; L424-F502 HydrophobicContact CD1-CD1 3.84Å; L424-F502 HydrophobicContact CD1-CE1 3.95Å; L424-L507 HydrophobicContact CB-CD2 4.14Å; L424-L507 HydrophobicContact CD1-CD2 3.79Å; L424-L507 HydrophobicContact CD2-CD2 4.37Å; L424-L507 HydrophobicContact CG-CD2 4.31Å; L424-M510 HydrophobicContact CD2-CE 3.89Å; L424-M510 HydrophobicContact CD2-SD 4.11Å; L424-L529 HydrophobicContact CD1-CD1 3.6Å; L424-L529 HydrophobicContact CD1-CD2 4.03Å; L424-L529 HydrophobicContact CD1-CG 4.29Å
425	A	97.9	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.9	164.2	0	0	0	0	0	110.9	A402 L433 V434 L501 F502	A402-A425 HydrophobicContact CB-CB 4.3Å; A425-L433 CarbonylContact C-O 3.56Å; A425-L433 WeakPolarHBondContact CA-O 3.31Å; A425-V434 HydrophobicContact CB-CG2 4.17Å; A425-L501 HydrophobicContact CB-CB 4.2Å; A425-L501 HydrophobicContact CB-CD2 4.08Å; A425-L501 PolarHBondContact N-O 3.47Å; A425-F502 VanDerWaalsContact O-CE1 3.24Å; A425-F502 WeakPolarHBondContact O-CE1 3.35Å
426	V	97	Very high	95.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.7	179	178.4	0	0	0	0	109.6	L231 L424 V428 F431 V432 L433 L525 L529 H635	L231-V426 HydrophobicContact CD1-CG1 4.42Å; L231-V426 HydrophobicContact CD1-CG2 4.09Å; L424-V426 HydrophobicContact CD1-CG2 3.52Å; L424-V426 HydrophobicContact CD2-CG2 3.87Å; L424-V426 HydrophobicContact CG-CG2 3.76Å; V426-V428 HydrophobicContact CG1-CG1 3.87Å; V426-F431 HydrophobicContact CG1-CE2 4.42Å; V426-V432 CarbonylContact O-C 3.57Å; V426-V432 WeakPolarHBondContact O-CA 3.43Å; V426-L433 HydrophobicContact CB-CB 4.47Å; V426-L433 PolarHBondContact N-O 2.88Å; V426-L433 PolarHBondContact O-N 3.44Å; V426-L525 HydrophobicContact CG1-CD2 4.49Å; V426-L529 HydrophobicContact CG2-CD1 3.94Å; V426-L529 HydrophobicContact CG2-CD2 4.29Å; V426-H635 WeakPolarHBondContact CA-NE2 3.3Å
427	A	94.9	Very high	95.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	112.4	167.3	0	0	0	0	0	110.7	K398 V432 H635 F636	K398-A427 HydrophobicContact CB-CB 4.09Å; A427-V432 HydrophobicContact CB-CG1 4.41Å; A427-V432 HydrophobicContact CB-CG2 3.82Å; A427-H635 PolarHBondContact N-NE2 3.22Å; A427-H635 VanDerWaalsContact N-NE2 3.15Å; A427-F636 HydrophobicContact CB-CD1 3.82Å; A427-F636 HydrophobicContact CB-CE1 3.61Å
428	V	88.1	Confident	95.5	Very high	36 Å²	36	18.3 Å²	18.3	22%	0.218	9%	0.087	C	C	.	.			trans	-116.2	-179.9	174.6	-66	0	0	0	0	109.5	Y376 V426 H430 F431	Y376-V428 PolarHBondContact OH-O 2.92Å; V426-V428 HydrophobicContact CG1-CG1 3.87Å; V428-H430 PolarHBondContact O-N 2.95Å; V428-H430 VanDerWaalsContact O-N 3.13Å; V428-F431 HydrophobicContact CG2-CD1 3.69Å; V428-F431 HydrophobicContact CG2-CD2 4.14Å; V428-F431 HydrophobicContact CG2-CE1 3.4Å; V428-F431 VanDerWaalsContact CG2-CE1 3.4Å; V428-F431 HydrophobicContact CG2-CE2 3.89Å; V428-F431 HydrophobicContact CG2-CG 4.05Å; V428-F431 HydrophobicContact CG2-CZ 3.51Å; V428-F431 PolarHBondContact N-O 2.89Å
429	E	78.7	Confident	95.5	Very high	144 Å²	144	19 Å²	19	67%	0.673	9%	0.091	S	C	*	.	S	Bend	trans	-59	-29.6	-174.2	-63.7	-171.2	165.3	0	0	113.9
430	H	81.5	Confident	95.4	Very high	72 Å²	72	27.9 Å²	27.9	33%	0.333	13%	0.125	S	C	.	.	S	Bend	trans	-99.2	-27.1	-171	-55.3	-36.2	0	0	0	114.2	V428	V428-H430 PolarHBondContact O-N 2.95Å; V428-H430 VanDerWaalsContact O-N 3.13Å
431	F	92.7	Very high	95.3	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.013	13%	0.133	C	C	.	.			trans	-156.4	158.3	-174	64.5	-95.2	0	0	0	112	M225 N228 T368 S369 T370 V426 V428 L433	M225-F431 HydrophobicContact CE-CB 4.18Å; M225-F431 HydrophobicContact CE-CD1 4.19Å; M225-F431 HydrophobicContact CE-CG 4.31Å; M225-F431 HydrophobicContact SD-CB 4.23Å; M225-F431 HydrophobicContact SD-CD1 3.62Å; M225-F431 HydrophobicContact SD-CE1 4.4Å; M225-F431 HydrophobicContact SD-CG 4.24Å; N228-F431 HydrophobicContact CB-CD1 4.04Å; N228-F431 HydrophobicContact CB-CD2 4.37Å; N228-F431 HydrophobicContact CB-CE1 3.62Å; N228-F431 HydrophobicContact CB-CE2 3.98Å; N228-F431 HydrophobicContact CB-CG 4.41Å; N228-F431 HydrophobicContact CB-CZ 3.59Å; N228-F431 VanDerWaalsContact ND2-CD2 3.28Å; N228-F431 WeakPolarHBondContact ND2-CD2 3.32Å; N228-F431 WeakPolarHBondContact ND2-CE2 3.4Å; T368-F431 HydrophobicContact CG2-CB 3.9Å; T368-F431 HydrophobicContact CG2-CG 4.42Å; S369-F431 WeakPolarHBondContact O-CA 3.42Å; T370-F431 HydrophobicContact CG2-CB 4.18Å; V426-F431 HydrophobicContact CG1-CE2 4.42Å; V428-F431 HydrophobicContact CG2-CD1 3.69Å; V428-F431 HydrophobicContact CG2-CD2 4.14Å; V428-F431 HydrophobicContact CG2-CE1 3.4Å; V428-F431 VanDerWaalsContact CG2-CE1 3.4Å; V428-F431 HydrophobicContact CG2-CE2 3.89Å; V428-F431 HydrophobicContact CG2-CG 4.05Å; V428-F431 HydrophobicContact CG2-CZ 3.51Å; V428-F431 PolarHBondContact N-O 2.89Å; F431-L433 HydrophobicContact CD2-CB 3.76Å; F431-L433 HydrophobicContact CE2-CB 3.7Å; F431-L433 HydrophobicContact CE2-CD2 4.48Å
432	V	96.7	Very high	95.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.1	162.7	179.4	0	0	0	0	107.6	T368 S369 L375 A401 A402 V405 V426 A427 V434	T368-V432 WeakPolarHBondContact CA-O 2.86Å; S369-V432 PolarHBondContact N-O 3.22Å; S369-V432 PolarHBondContact O-N 3.1Å; L375-V432 HydrophobicContact CD1-CB 4.17Å; L375-V432 HydrophobicContact CD1-CG2 3.74Å; A401-V432 HydrophobicContact CB-CG2 4.4Å; A402-V432 HydrophobicContact CB-CG1 4.35Å; V405-V432 HydrophobicContact CG2-CG1 4.1Å; V426-V432 CarbonylContact O-C 3.57Å; V426-V432 WeakPolarHBondContact O-CA 3.43Å; A427-V432 HydrophobicContact CB-CG1 4.41Å; A427-V432 HydrophobicContact CB-CG2 3.82Å; V432-V434 HydrophobicContact CG1-CG2 4.41Å
433	L	97.7	Very high	95.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.1	178	172.4	64.5	0	0	0	108.9	L231 V232 S366 V367 A425 V426 F431 V435	L231-L433 HydrophobicContact CB-CD2 3.81Å; L231-L433 HydrophobicContact CD1-CD2 4.04Å; V232-L433 HydrophobicContact CG2-CD1 4.01Å; V232-L433 HydrophobicContact CG2-CD2 4.14Å; S366-L433 WeakPolarHBondContact OG-CD1 3.36Å; V367-L433 CarbonylContact O-C 3.6Å; V367-L433 WeakPolarHBondContact O-CA 3.43Å; A425-L433 CarbonylContact C-O 3.56Å; A425-L433 WeakPolarHBondContact CA-O 3.31Å; V426-L433 HydrophobicContact CB-CB 4.47Å; V426-L433 PolarHBondContact N-O 2.88Å; V426-L433 PolarHBondContact O-N 3.44Å; F431-L433 HydrophobicContact CD2-CB 3.76Å; F431-L433 HydrophobicContact CE2-CB 3.7Å; F431-L433 HydrophobicContact CE2-CD2 4.48Å; L433-V435 HydrophobicContact CD1-CG2 4.12Å; L433-V435 HydrophobicContact CD2-CG2 4.46Å; L433-V435 HydrophobicContact CG-CG2 4.16Å
434	V	98.4	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.6	174.9	169.7	0	0	0	0	108.4	V367 V405 V406 A425 V432 V436	V367-V434 PolarHBondContact N-O 2.97Å; V367-V434 PolarHBondContact O-N 2.8Å; V405-V434 HydrophobicContact CB-CG2 4.09Å; V405-V434 HydrophobicContact CG1-CB 4.18Å; V405-V434 HydrophobicContact CG1-CG2 3.74Å; V406-V434 HydrophobicContact CG2-CB 4.43Å; V406-V434 HydrophobicContact CG2-CG1 3.66Å; V406-V434 HydrophobicContact CG2-CG2 3.83Å; A425-V434 HydrophobicContact CB-CG2 4.17Å; V432-V434 HydrophobicContact CG1-CG2 4.41Å; V434-V436 HydrophobicContact CG1-CG1 3.79Å
435	V	98.7	Very high	95.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.3	177	-173.7	0	0	0	0	108.3	I364 L423 L424 L433	I364-V435 HydrophobicContact CG2-CG1 3.42Å; I364-V435 VanDerWaalsContact CG2-CG1 3.42Å; L423-V435 HydrophobicContact CB-CG1 4.4Å; L423-V435 HydrophobicContact CD1-CG1 4.2Å; L423-V435 PolarHBondContact N-O 3.05Å; L424-V435 HydrophobicContact CB-CB 4.49Å; L424-V435 PolarHBondContact N-O 3.09Å; L424-V435 PolarHBondContact O-N 3.45Å; L433-V435 HydrophobicContact CD1-CG2 4.12Å; L433-V435 HydrophobicContact CD2-CG2 4.46Å; L433-V435 HydrophobicContact CG-CG2 4.16Å
436	V	98.7	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.1	-177.9	-61.4	0	0	0	0	111.3	F356 I364 I365 V409 I420 E421 V422 V434	F356-V436 HydrophobicContact CZ-CG2 4.33Å; I364-V436 VanDerWaalsContact CA-O 3.31Å; I364-V436 WeakPolarHBondContact CA-O 2.97Å; I365-V436 HydrophobicContact CB-CG2 4.15Å; I365-V436 PolarHBondContact N-O 3.45Å; I365-V436 PolarHBondContact O-N 2.95Å; V409-V436 HydrophobicContact CG1-CG1 4.19Å; V409-V436 HydrophobicContact CG1-CG2 3.82Å; I420-V436 HydrophobicContact CB-CB 4.29Å; I420-V436 HydrophobicContact CD1-CG1 4.09Å; I420-V436 HydrophobicContact CG2-CG2 4.37Å; E421-V436 CarbonylContact O-C 3.52Å; E421-V436 VanDerWaalsContact O-CA 3.27Å; E421-V436 WeakPolarHBondContact O-CA 3.46Å; V422-V436 HydrophobicContact CG2-CG1 4.39Å; V434-V436 HydrophobicContact CG1-CG1 3.79Å
437	R	98.5	Very high	95.2	Very high	33 Å²	33	45.4 Å²	45.4	13%	0.125	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	137	166.7	178.9	176.3	-67	-158.1	-8	109.5	E242 L362 G363 I420 E421 L423	E242-R437 VanDerWaalsContact CD-NH2 3.27Å; E242-R437 IonicContact OE1-CZ 3.1Å; E242-R437 IonicContact OE1-NH2 3.96Å; E242-R437 PolarHBondContact OE1-NH2 2.76Å; E242-R437 IonicContact OE2-CZ 2.78Å; E242-R437 IonicContact OE2-NH1 2.8Å; E242-R437 IonicContact OE2-NH2 3.48Å; E242-R437 PolarHBondContact OE2-NH2 3.32Å; L362-R437 HydrophobicContact CD2-CG 4.37Å; G363-R437 WeakPolarHBondContact O-CA 3.43Å; I420-R437 WeakPolarHBondContact CA-O 3.48Å; E421-R437 HydrophobicContact CB-CB 4.28Å; E421-R437 PolarHBondContact N-O 2.91Å; E421-R437 PolarHBondContact O-N 2.81Å; L423-R437 HydrophobicContact CD1-CB 4.02Å; L423-R437 HydrophobicContact CD2-CB 4.18Å; L423-R437 HydrophobicContact CG-CB 4.12Å
438	V	98.3	Very high	95.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.5	-176.1	-171.9	0	0	0	0	110.7	F356 V359 L362 G363 I365 K418	F356-V438 HydrophobicContact CD1-CG1 4.31Å; F356-V438 HydrophobicContact CD1-CG2 4.31Å; F356-V438 HydrophobicContact CE1-CG1 4.33Å; F356-V438 HydrophobicContact CE1-CG2 3.81Å; V359-V438 HydrophobicContact CG1-CB 4.28Å; V359-V438 HydrophobicContact CG1-CG1 3.89Å; V359-V438 HydrophobicContact CG1-CG2 4.01Å; V359-V438 HydrophobicContact CG2-CG2 4.01Å; L362-V438 VanDerWaalsContact CA-O 3.26Å; L362-V438 WeakPolarHBondContact CA-O 3.44Å; L362-V438 PolarHBondContact N-O 2.91Å; G363-V438 PolarHBondContact O-N 2.92Å; I365-V438 HydrophobicContact CD1-CG2 3.92Å; I365-V438 HydrophobicContact CG1-CG2 4.03Å; K418-V438 HydrophobicContact CB-CG1 3.89Å; K418-V438 HydrophobicContact CD-CG1 3.62Å; K418-V438 HydrophobicContact CG-CG1 4.22Å
439	L	97.9	Very high	95.6	Very high	35 Å²	35	45.9 Å²	45.9	18%	0.183	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	112.9	179.2	-57	178.7	0	0	0	109.1	L362 K418 G419 E421 Q444	L362-L439 HydrophobicContact CD2-CD2 3.7Å; K418-L439 CarbonylContact C-O 3.43Å; K418-L439 WeakPolarHBondContact CA-O 3.49Å; G419-L439 PolarHBondContact N-O 3.37Å; G419-L439 PolarHBondContact O-N 3.24Å; E421-L439 HydrophobicContact CB-CD1 4.31Å; L439-Q444 HydrophobicContact CB-CB 3.82Å; L439-Q444 HydrophobicContact CB-CG 3.92Å
440	R	96.3	Very high	96.4	Very high	187 Å²	187	43.6 Å²	43.6	71%	0.706	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76	135.8	-178	-172.8	177.2	-178.4	169.1	0.7	111.3	N361	N361-R440 HydrophobicContact CB-CB 4Å; N361-R440 VanDerWaalsContact OD1-CB 3.27Å; N361-R440 WeakPolarHBondContact OD1-CB 3.42Å; N361-R440 PolarHBondContact OD1-N 2.82Å
441	G	96.5	Very high	97.1	Very high	19 Å²	19	44 Å²	44	20%	0.196	22%	0.224	C	C	.	.	S	Bend	trans	129.7	147.7	169.6	0	0	0	0	0	112.6	N417 T443 Q444 A445	N417-G441 CarbonylContact O-C 3.59Å; N417-G441 WeakPolarHBondContact O-CA 3.46Å; N417-G441 PolarHBondContact O-N 2.73Å; G441-T443 VanDerWaalsContact C-N 3.33Å; G441-T443 PolarHBondContact O-N 3.1Å; G441-Q444 PolarHBondContact O-N 2.97Å; G441-Q444 VanDerWaalsContact O-N 3.14Å; G441-A445 PolarHBondContact O-N 3.11Å; G441-A445 VanDerWaalsContact O-N 3.09Å
442	P	97.4	Very high	97.2	Very high	74 Å²	74	45.3 Å²	45.3	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-60.4	-41	-178.9	24.2	-33.3	0	0	0	112.1	Q444 A445 D446	P442-Q444 VanDerWaalsContact C-N 3.27Å; P442-Q444 PolarHBondContact O-N 3Å; P442-A445 CarbonylContact O-C 3.6Å; P442-A445 WeakPolarHBondContact O-CA 3.49Å; P442-A445 VanDerWaalsContact O-CB 3.28Å; P442-A445 WeakPolarHBondContact O-CB 3.47Å; P442-A445 PolarHBondContact O-N 2.96Å; P442-D446 VanDerWaalsContact O-CG 3.31Å; P442-D446 PolarHBondContact O-N 2.6Å
443	T	98	Very high	97.1	Very high	93 Å²	93	49.4 Å²	49.4	57%	0.571	25%	0.246	S	C	*	.	H	α-helix	trans	-57.2	-40.5	176	-46.9	0	0	0	0	112.3	G441 D446 E447	G441-T443 VanDerWaalsContact C-N 3.33Å; G441-T443 PolarHBondContact O-N 3.1Å; T443-D446 PolarHBondContact O-N 2.89Å; T443-E447 WeakPolarHBondContact O-CG 3.38Å; T443-E447 PolarHBondContact O-N 3.06Å
444	Q	97.8	Very high	97	Very high	79 Å²	79	54 Å²	54	37%	0.369	27%	0.266	S	S	.	.	H	α-helix	trans	-69.8	-35.7	177.7	-61.7	-61.9	-31.5	0	0	111.7	G419 L439 G441 P442 S448	G419-Q444 VanDerWaalsContact CA-O 3.24Å; G419-Q444 WeakPolarHBondContact CA-O 3.34Å; L439-Q444 HydrophobicContact CB-CB 3.82Å; L439-Q444 HydrophobicContact CB-CG 3.92Å; G441-Q444 PolarHBondContact O-N 2.97Å; G441-Q444 VanDerWaalsContact O-N 3.14Å; P442-Q444 VanDerWaalsContact C-N 3.27Å; P442-Q444 PolarHBondContact O-N 3Å; Q444-S448 WeakPolarHBondContact O-CB 3.16Å; Q444-S448 PolarHBondContact O-N 3.33Å; Q444-S448 PolarHBondContact O-OG 3.39Å
445	A	97.8	Very high	96.7	Very high	4 Å²	4	54 Å²	54	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-45.9	172.7	0	0	0	0	0	111.2	A414 G441 P442 S448 A449	A414-A445 HydrophobicContact CB-CB 4.38Å; G441-A445 PolarHBondContact O-N 3.11Å; G441-A445 VanDerWaalsContact O-N 3.09Å; P442-A445 CarbonylContact O-C 3.6Å; P442-A445 WeakPolarHBondContact O-CA 3.49Å; P442-A445 VanDerWaalsContact O-CB 3.28Å; P442-A445 WeakPolarHBondContact O-CB 3.47Å; P442-A445 PolarHBondContact O-N 2.96Å; A445-S448 WeakPolarHBondContact O-CB 3.48Å; A445-S448 PolarHBondContact O-N 2.95Å; A445-A449 WeakPolarHBondContact O-CB 3.42Å; A445-A449 PolarHBondContact O-N 2.86Å
446	D	97.6	Very high	96.4	Very high	93 Å²	93	54.1 Å²	54.1	50%	0.497	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-45.5	178.5	-64.6	-26.1	0	0	0	111.6	P442 T443 S448 A449 K450	P442-D446 VanDerWaalsContact O-CG 3.31Å; P442-D446 PolarHBondContact O-N 2.6Å; T443-D446 PolarHBondContact O-N 2.89Å; D446-S448 VanDerWaalsContact C-N 3.27Å; D446-S448 PolarHBondContact O-N 3.36Å; D446-A449 PolarHBondContact O-N 2.95Å; D446-K450 VanDerWaalsContact O-CG 3.3Å; D446-K450 WeakPolarHBondContact O-CG 3.06Å; D446-K450 PolarHBondContact O-N 2.83Å
447	E	96.7	Very high	96.1	Very high	81 Å²	81	54.3 Å²	54.3	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-36	175.4	-71.8	-50	126.4	0	0	112.7	T443 K450	T443-E447 WeakPolarHBondContact O-CG 3.38Å; T443-E447 PolarHBondContact O-N 3.06Å; E447-K450 IonicContact OE1-NZ 3.83Å; E447-K450 PolarHBondContact OE1-NZ 2.86Å
448	S	96.9	Very high	95.7	Very high	4 Å²	4	52.7 Å²	52.7	3%	0.028	26%	0.262	C	S	.	.	H	α-helix	trans	-70.8	-40.5	174.9	-57.9	0	0	0	0	111.6	G419 I420 Q444 A445 D446 K450 K451 W497	G419-S448 WeakPolarHBondContact CA-OG 3.5Å; I420-S448 PolarHBondContact N-OG 3.03Å; Q444-S448 WeakPolarHBondContact O-CB 3.16Å; Q444-S448 PolarHBondContact O-N 3.33Å; Q444-S448 PolarHBondContact O-OG 3.39Å; A445-S448 WeakPolarHBondContact O-CB 3.48Å; A445-S448 PolarHBondContact O-N 2.95Å; D446-S448 VanDerWaalsContact C-N 3.27Å; D446-S448 PolarHBondContact O-N 3.36Å; S448-K450 VanDerWaalsContact C-N 3.35Å; S448-K450 PolarHBondContact O-N 3.23Å; S448-K451 WeakPolarHBondContact O-CB 3.4Å; S448-K451 PolarHBondContact O-N 2.84Å; S448-W497 WeakPolarHBondContact O-CZ3 3.4Å
449	A	95.8	Very high	95.3	Very high	42 Å²	42	57.4 Å²	57.4	35%	0.347	28%	0.284	S	S	.	.	H	α-helix	trans	-64.9	-36.4	177.6	0	0	0	0	0	112.2	A445 D446 K451 L452	A445-A449 WeakPolarHBondContact O-CB 3.42Å; A445-A449 PolarHBondContact O-N 2.86Å; D446-A449 PolarHBondContact O-N 2.95Å; A449-K451 PolarHBondContact O-N 2.91Å; A449-K451 VanDerWaalsContact O-N 3.16Å; A449-L452 VanDerWaalsContact O-CB 3.27Å; A449-L452 WeakPolarHBondContact O-CB 3.45Å; A449-L452 PolarHBondContact O-N 3.49Å
450	K	95	Very high	94.8	Very high	95 Å²	95	63.3 Å²	63.3	41%	0.413	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.2	174.6	-72.6	171.1	-170.5	174.4	0	113.9	D446 E447 S448 L452 R453 L469	D446-K450 VanDerWaalsContact O-CG 3.3Å; D446-K450 WeakPolarHBondContact O-CG 3.06Å; D446-K450 PolarHBondContact O-N 2.83Å; E447-K450 IonicContact OE1-NZ 3.83Å; E447-K450 PolarHBondContact OE1-NZ 2.86Å; S448-K450 VanDerWaalsContact C-N 3.35Å; S448-K450 PolarHBondContact O-N 3.23Å; K450-L452 VanDerWaalsContact C-N 3.33Å; K450-R453 PolarHBondContact O-NE 2.82Å; K450-L469 HydrophobicContact CG-CD2 4.29Å
451	K	95.8	Very high	94.4	Very high	80 Å²	80	55 Å²	55	35%	0.348	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.2	176	-65	171.5	-177.2	174.2	0	112.8	S448 A449 R453 W497 A498	S448-K451 WeakPolarHBondContact O-CB 3.4Å; S448-K451 PolarHBondContact O-N 2.84Å; A449-K451 PolarHBondContact O-N 2.91Å; A449-K451 VanDerWaalsContact O-N 3.16Å; K451-R453 PolarHBondContact O-N 3.31Å; K451-W497 HydrophobicContact CB-CD2 4.34Å; K451-W497 HydrophobicContact CB-CE3 3.85Å; K451-W497 HydrophobicContact CB-CH2 3.87Å; K451-W497 HydrophobicContact CB-CZ2 4.32Å; K451-W497 HydrophobicContact CB-CZ3 3.6Å; K451-W497 HydrophobicContact CD-CH2 3.35Å; K451-W497 HydrophobicContact CD-CZ2 3.59Å; K451-W497 HydrophobicContact CD-CZ3 4Å; K451-W497 HydrophobicContact CG-CH2 4.24Å; K451-W497 HydrophobicContact CG-CZ3 4.43Å; K451-A498 WeakPolarHBondContact O-CB 3.26Å; K451-A498 PolarHBondContact O-N 2.93Å
452	L	95.7	Very high	94	Very high	31 Å²	31	54.5 Å²	54.5	16%	0.162	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	108.8	172.9	-58.1	178	0	0	0	109.7	A407 A410 R411 A449 K450 L496 W497	A407-L452 HydrophobicContact CB-CD2 3.76Å; A410-L452 HydrophobicContact CB-CD2 4.01Å; R411-L452 HydrophobicContact CG-CD1 3.42Å; R411-L452 VanDerWaalsContact CG-CD1 3.42Å; A449-L452 VanDerWaalsContact O-CB 3.27Å; A449-L452 WeakPolarHBondContact O-CB 3.45Å; A449-L452 PolarHBondContact O-N 3.49Å; K450-L452 VanDerWaalsContact C-N 3.33Å; L452-L496 WeakPolarHBondContact CA-O 3.37Å; L452-W497 HydrophobicContact CD2-CE3 4.15Å
453	R	94.4	Very high	93.7	Very high	86 Å²	86	52 Å²	52	33%	0.325	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.1	-174.3	-59.1	-174.9	179.3	-175	2.1	111.7	K450 K451 F466 L467 L496 A498	K450-R453 PolarHBondContact O-NE 2.82Å; K451-R453 PolarHBondContact O-N 3.31Å; R453-F466 HydrophobicContact CB-CB 4.34Å; R453-F466 HydrophobicContact CB-CD1 3.91Å; R453-F466 HydrophobicContact CB-CG 4.45Å; R453-L467 WeakPolarHBondContact CD-O 3.45Å; R453-L496 PolarHBondContact N-O 2.86Å; R453-L496 PolarHBondContact O-N 3.44Å; R453-A498 HydrophobicContact CB-CB 4.02Å; R453-A498 HydrophobicContact CG-CB 3.95Å
454	K	93.9	Very high	93.4	Very high	96 Å²	96	48.6 Å²	48.6	42%	0.417	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	148.5	167.5	-73.3	162.2	162.1	-163	0	109.3	F466 L467 Q492 L493	K454-F466 WeakPolarHBondContact O-CA 3.29Å; K454-L467 HydrophobicContact CB-CD1 3.96Å; K454-L467 HydrophobicContact CB-CG 4.42Å; K454-L467 PolarHBondContact O-N 3.21Å; K454-Q492 HydrophobicContact CB-CG 4.03Å; K454-Q492 VanDerWaalsContact CD-CD 3.47Å; K454-Q492 HydrophobicContact CD-CG 4.29Å; K454-Q492 VanDerWaalsContact CD-NE2 3.33Å; K454-Q492 HydrophobicContact CG-CG 4.36Å; K454-L493 WeakPolarHBondContact CA-O 3.34Å
455	L	93.6	Very high	93.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.8	178	177.3	75.4	0	0	0	108.1	Y396 R464 F466 Q492 L493 L496 F600	Y396-L455 HydrophobicContact CE2-CD2 4.13Å; L455-R464 HydrophobicContact CD1-CB 4.08Å; L455-R464 HydrophobicContact CD1-CG 4.49Å; L455-R464 HydrophobicContact CG-CB 4.44Å; L455-F466 HydrophobicContact CB-CD1 4.11Å; L455-F466 HydrophobicContact CB-CE1 4.07Å; L455-F466 HydrophobicContact CD1-CD1 4.03Å; L455-F466 HydrophobicContact CD1-CD2 4.5Å; L455-F466 HydrophobicContact CD1-CE1 4.1Å; L455-F466 HydrophobicContact CD1-CG 4.23Å; L455-F466 HydrophobicContact CD1-CZ 4.38Å; L455-Q492 CarbonylContact O-C 3.52Å; L455-Q492 WeakPolarHBondContact O-CA 3.25Å; L455-L493 HydrophobicContact CB-CB 4.35Å; L455-L493 HydrophobicContact CD2-CD1 4.28Å; L455-L493 PolarHBondContact N-O 3.1Å; L455-L493 PolarHBondContact O-N 3.48Å; L455-L496 HydrophobicContact CB-CD1 3.8Å; L455-L496 HydrophobicContact CD2-CD1 3.88Å; L455-L496 HydrophobicContact CG-CD1 4.49Å; L455-F600 HydrophobicContact CD1-CE2 3.81Å; L455-F600 HydrophobicContact CD2-CE2 3.69Å; L455-F600 HydrophobicContact CD2-CZ 3.65Å; L455-F600 HydrophobicContact CG-CE2 4.42Å
456	V	92.3	Very high	92.8	Very high	3 Å²	3	49 Å²	49	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.7	168.2	-167	0	0	0	0	107.8	R464 V465 L467 V477 A490 V491	V456-R464 CarbonylContact O-C 3.53Å; V456-R464 WeakPolarHBondContact O-CA 3.44Å; V456-V465 PolarHBondContact N-O 3.5Å; V456-V465 PolarHBondContact O-N 2.85Å; V456-L467 HydrophobicContact CG2-CD1 3.86Å; V456-L467 HydrophobicContact CG2-CD2 3.45Å; V456-L467 VanDerWaalsContact CG2-CD2 3.45Å; V456-L467 HydrophobicContact CG2-CG 3.65Å; V456-V477 HydrophobicContact CB-CG2 4.08Å; V456-V477 HydrophobicContact CG1-CG2 3.38Å; V456-A490 HydrophobicContact CG1-CB 3.91Å; V456-V491 WeakPolarHBondContact CA-O 3.08Å
457	H	92	Very high	92.4	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.019	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131	-176.3	163.3	69.5	0	0	0	110.3	Y396 E463 R464 A490 V491 L493	Y396-H457 AromaticContact CE1-CE1 3.88Å; Y396-H457 AromaticContact CE1-ND1 3.87Å; Y396-H457 AromaticContact CZ-ND1 3.9Å; Y396-H457 PolarHBondContact OH-ND1 3.32Å; H457-E463 WeakPolarHBondContact CA-O 3.4Å; H457-R464 HydrophobicContact CB-CB 4.25Å; H457-A490 CarbonylContact O-C 3.49Å; H457-A490 WeakPolarHBondContact O-CA 3.45Å; H457-V491 HydrophobicContact CB-CG2 4.34Å; H457-V491 PolarHBondContact N-O 3.46Å; H457-V491 WeakPolarHBondContact O-CG2 3.45Å; H457-V491 PolarHBondContact O-N 3.44Å; H457-L493 HydrophobicContact CB-CD1 4.1Å
458	C	90.8	Very high	91.8	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	116.7	170	-178.9	0	0	0	0	110.3	W460 E462 E463 V477 T489	C458-W460 PolarHBondContact O-N 3.05Å; C458-W460 VanDerWaalsContact O-N 3.13Å; C458-E462 WeakPolarHBondContact O-CA 3.41Å; C458-E462 PolarHBondContact O-N 3.45Å; C458-E463 PolarHBondContact N-O 2.88Å; C458-V477 HydrophobicContact CB-CG1 4.11Å; C458-V477 HydrophobicContact CB-CG2 4.49Å; C458-T489 CarbonylContact C-O 3.54Å; C458-T489 WeakPolarHBondContact CA-O 3.47Å
459	Q	89.1	Confident	90.6	Very high	99 Å²	99	56.6 Å²	56.6	46%	0.463	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.1	179.3	-60.6	-175	-66.2	0	0	113.6	T489 V491	Q459-T489 PolarHBondContact N-O 2.9Å; Q459-V491 VanDerWaalsContact CD-CG1 3.43Å; Q459-V491 HydrophobicContact CG-CB 4.41Å; Q459-V491 HydrophobicContact CG-CG1 3.83Å; Q459-V491 HydrophobicContact CG-CG2 3.68Å
460	W	87.9	Confident	89.1	Confident	159 Å²	159	57.2 Å²	57.2	60%	0.602	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-60.3	-179	-176.3	-95.6	0	0	0	112.6	C458 L485 T489	C458-W460 PolarHBondContact O-N 3.05Å; C458-W460 VanDerWaalsContact O-N 3.13Å; W460-L485 HydrophobicContact CD2-CD1 3.87Å; W460-L485 HydrophobicContact CD2-CD2 4.22Å; W460-L485 HydrophobicContact CE3-CD1 4.44Å; W460-L485 HydrophobicContact CE3-CD2 3.95Å; W460-L485 HydrophobicContact CG-CD1 4.08Å; W460-L485 HydrophobicContact CH2-CD2 4.04Å; W460-L485 HydrophobicContact CZ2-CD1 4.15Å; W460-L485 HydrophobicContact CZ2-CD2 4.31Å; W460-L485 HydrophobicContact CZ3-CD2 3.86Å; W460-T489 HydrophobicContact CB-CG2 4.45Å
461	C	87.1	Confident	87.2	Confident	12 Å²	12	60.9 Å²	60.9	8%	0.081	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-14.2	-174.5	70.6	0	0	0	0	114.1	E463 C479 C481 H607 L647	C461-E463 VanDerWaalsContact C-N 3.27Å; C461-E463 PolarHBondContact O-N 3.16Å; C461-E463 VanDerWaalsContact SG-CB 3.51Å; C461-E463 PolarHBondContact SG-N 2.93Å; C461-C479 VanDerWaalsContact SG-SG 3.69Å; C461-C481 VanDerWaalsContact CB-SG 3.6Å; C461-C481 VanDerWaalsContact SG-SG 3.67Å; C461-H607 PolarHBondContact O-CE1 3Å; C461-L647 HydrophobicContact CB-CD2 4.21Å; C461-L647 WeakPolarHBondContact O-CD2 3.31Å
462	E	89.6	Confident	85.4	Confident	8 Å²	8	65.7 Å²	65.7	4%	0.037	32%	0.324	C	S	.	.			trans	71.3	10.6	-176.5	-46.5	-170.1	169.8	0	0	117.1	E395 C458 R464 R606	E395-E462 WeakPolarHBondContact CG-OE1 3.47Å; E395-E462 WeakPolarHBondContact CG-OE2 3.31Å; C458-E462 WeakPolarHBondContact O-CA 3.41Å; C458-E462 PolarHBondContact O-N 3.45Å; E462-R464 PolarHBondContact O-NH1 2.73Å; E462-R606 IonicContact OE1-CZ 3.84Å; E462-R606 IonicContact OE1-NE 3.66Å; E462-R606 PolarHBondContact OE1-NE 3.3Å; E462-R606 IonicContact OE1-NH2 3.81Å; E462-R606 PolarHBondContact OE1-NH2 3.31Å
463	E	90.1	Very high	83.5	Confident	22 Å²	22	68.6 Å²	68.6	10%	0.103	34%	0.343	C	S	.	.			trans	-57.2	141	166.1	-170.3	62.5	-88.1	0	0	109.9	H457 C458 C461 V477 P478 C479 L647	H457-E463 WeakPolarHBondContact CA-O 3.4Å; C458-E463 PolarHBondContact N-O 2.88Å; C461-E463 VanDerWaalsContact C-N 3.27Å; C461-E463 PolarHBondContact O-N 3.16Å; C461-E463 VanDerWaalsContact SG-CB 3.51Å; C461-E463 PolarHBondContact SG-N 2.93Å; E463-V477 HydrophobicContact CB-CG1 3.57Å; E463-V477 HydrophobicContact CG-CG1 3.47Å; E463-V477 VanDerWaalsContact CG-CG1 3.47Å; E463-P478 HydrophobicContact CG-CG 3.83Å; E463-C479 HydrophobicContact CB-CB 3.96Å; E463-C479 HydrophobicContact CG-CB 4.22Å; E463-L647 HydrophobicContact CB-CD2 3.92Å; E463-L647 WeakPolarHBondContact OE2-CB 3.49Å
464	R	92.1	Very high	81.9	Confident	21 Å²	21	69.8 Å²	69.8	8%	0.079	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	143.2	-171.3	62.2	-158.1	175.3	-98.8	-3.1	112.2	Y396 L455 V456 H457 E462 F600 Y601	Y396-R464 VanDerWaalsContact CZ-CD 3.41Å; L455-R464 HydrophobicContact CD1-CB 4.08Å; L455-R464 HydrophobicContact CD1-CG 4.49Å; L455-R464 HydrophobicContact CG-CB 4.44Å; V456-R464 CarbonylContact O-C 3.53Å; V456-R464 WeakPolarHBondContact O-CA 3.44Å; H457-R464 HydrophobicContact CB-CB 4.25Å; E462-R464 PolarHBondContact O-NH1 2.73Å; R464-F600 VanDerWaalsContact NE-CB 3.25Å; R464-F600 VanDerWaalsContact NH2-CB 3.27Å; R464-Y601 PolarHBondContact NH2-O 3Å
465	V	90.8	Very high	80.3	Confident	61 Å²	61	69.4 Å²	69.4	37%	0.37	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	137.4	-177.6	66.2	0	0	0	0	110.8	V456	V456-V465 PolarHBondContact N-O 3.5Å; V456-V465 PolarHBondContact O-N 2.85Å
466	F	92.6	Very high	79	Confident	30 Å²	30	73.9 Å²	73.9	13%	0.132	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.5	170	-77.8	-65.3	0	0	0	109.6	R453 K454 L455 K468 L496 A498 A599 F600	R453-F466 HydrophobicContact CB-CB 4.34Å; R453-F466 HydrophobicContact CB-CD1 3.91Å; R453-F466 HydrophobicContact CB-CG 4.45Å; K454-F466 WeakPolarHBondContact O-CA 3.29Å; L455-F466 HydrophobicContact CB-CD1 4.11Å; L455-F466 HydrophobicContact CB-CE1 4.07Å; L455-F466 HydrophobicContact CD1-CD1 4.03Å; L455-F466 HydrophobicContact CD1-CD2 4.5Å; L455-F466 HydrophobicContact CD1-CE1 4.1Å; L455-F466 HydrophobicContact CD1-CG 4.23Å; L455-F466 HydrophobicContact CD1-CZ 4.38Å; F466-K468 PolarHBondContact O-N 3.18Å; F466-L496 HydrophobicContact CE1-CB 4.04Å; F466-L496 HydrophobicContact CE1-CD1 4.31Å; F466-A498 HydrophobicContact CB-CB 4.47Å; F466-A498 HydrophobicContact CD1-CB 3.89Å; F466-A498 HydrophobicContact CD2-CB 3.82Å; F466-A498 HydrophobicContact CE1-CB 4Å; F466-A498 HydrophobicContact CE2-CB 3.91Å; F466-A498 HydrophobicContact CG-CB 3.81Å; F466-A498 HydrophobicContact CZ-CB 4.01Å; F466-A599 HydrophobicContact CD2-CB 4.33Å; F466-A599 HydrophobicContact CE2-CB 3.78Å; F466-F600 HydrophobicContact CE1-CE2 4.46Å; F466-F600 AromaticContact CE2-CE2 3.83Å; F466-F600 HydrophobicContact CE2-CE2 3.83Å; F466-F600 AromaticContact CZ-CE2 3.63Å; F466-F600 HydrophobicContact CZ-CE2 3.63Å; F466-F600 HydrophobicContact CZ-CZ 4.04Å
467	L	89.1	Confident	78.2	Confident	29 Å²	29	74.4 Å²	74.4	15%	0.152	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-63.1	134.3	174.6	-67.7	-177.5	0	0	0	110.1	R453 K454 V456 V473 D474 Q492	R453-L467 WeakPolarHBondContact CD-O 3.45Å; K454-L467 HydrophobicContact CB-CD1 3.96Å; K454-L467 HydrophobicContact CB-CG 4.42Å; K454-L467 PolarHBondContact O-N 3.21Å; V456-L467 HydrophobicContact CG2-CD1 3.86Å; V456-L467 HydrophobicContact CG2-CD2 3.45Å; V456-L467 VanDerWaalsContact CG2-CD2 3.45Å; V456-L467 HydrophobicContact CG2-CG 3.65Å; L467-V473 HydrophobicContact CD1-CG1 4.41Å; L467-D474 WeakPolarHBondContact CD2-O 3.28Å; L467-Q492 HydrophobicContact CD1-CG 4.5Å
468	K	82.6	Confident	77.5	Confident	187 Å²	187	78.7 Å²	78.7	81%	0.813	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-69	152.9	174.5	-66.9	-179.5	-178.6	174.9	0	109.7	F466 G470	F466-K468 PolarHBondContact O-N 3.18Å; K468-G470 PolarHBondContact O-N 3.38Å
469	L	72.2	Confident	77.1	Confident	122 Å²	122	79.9 Å²	79.9	64%	0.639	43%	0.425	S	S	*	.	S	Bend	trans	-70.9	111.7	173.3	-137.6	76.1	0	0	0	107.9	K450	K450-L469 HydrophobicContact CG-CD2 4.29Å
470	G	65.3	Low	76.7	Confident	56 Å²	56	81.9 Å²	81.9	58%	0.577	44%	0.439	S	S	*	.	S	Bend	trans	-178.9	159.7	-179	0	0	0	0	0	112.4	K468 M472	K468-G470 PolarHBondContact O-N 3.38Å; G470-M472 VanDerWaalsContact C-N 3.33Å
471	N	54.1	Low	76.4	Confident	172 Å²	172	75.1 Å²	75.1	92%	0.92	42%	0.416	S	S	*	.	S	Bend	trans	-77.9	-20.1	-178.5	-66.3	-9.9	0	0	0	113
472	M	57.6	Low	75.8	Confident	181 Å²	181	80.4 Å²	80.4	89%	0.892	44%	0.439	S	S	*	.	S	Bend	trans	-89.4	115.6	176.4	-67.1	-80.5	-167.6	0	0	108.9	G470 D474	G470-M472 VanDerWaalsContact C-N 3.33Å; M472-D474 PolarHBondContact O-N 3.36Å
473	V	56.8	Low	75	Confident	92 Å²	92	83.4 Å²	83.4	56%	0.558	47%	0.472	S	S	*	.			trans	-86.4	95.6	174.8	-164.8	0	0	0	0	107.9	L467 D475	L467-V473 HydrophobicContact CD1-CG1 4.41Å; V473-D475 VanDerWaalsContact C-N 3.32Å; V473-D475 HydrophobicContact CG1-CB 4.38Å; V473-D475 WeakPolarHBondContact CG1-OD1 3.37Å; V473-D475 PolarHBondContact O-N 2.86Å
474	D	61.1	Low	74.3	Confident	110 Å²	110	86.9 Å²	86.9	59%	0.588	50%	0.499	S	S	*	.			trans	-79.6	90.7	162	-167.3	-4.3	0	0	0	107.5	L467 M472 T476	L467-D474 WeakPolarHBondContact CD2-O 3.28Å; M472-D474 PolarHBondContact O-N 3.36Å; D474-T476 PolarHBondContact O-N 2.98Å; D474-T476 VanDerWaalsContact O-N 3.16Å; D474-T476 WeakPolarHBondContact OD1-CB 3.48Å; D474-T476 PolarHBondContact OD1-N 3.04Å; D474-T476 PolarHBondContact OD1-OG1 3.26Å
475	D	60.6	Low	73.3	Confident	88 Å²	88	88.6 Å²	88.6	47%	0.471	51%	0.509	S	S	.	.			trans	-74.2	9.6	-179.5	-86	-34.2	0	0	0	112.8	V473	V473-D475 VanDerWaalsContact C-N 3.32Å; V473-D475 HydrophobicContact CG1-CB 4.38Å; V473-D475 WeakPolarHBondContact CG1-OD1 3.37Å; V473-D475 PolarHBondContact O-N 2.86Å
476	T	66.4	Low	71.8	Confident	95 Å²	95	92 Å²	92	58%	0.583	53%	0.533	S	S	*	.			trans	-88.7	126.9	-176.1	65.6	0	0	0	0	112.4	D474	D474-T476 PolarHBondContact O-N 2.98Å; D474-T476 VanDerWaalsContact O-N 3.16Å; D474-T476 WeakPolarHBondContact OD1-CB 3.48Å; D474-T476 PolarHBondContact OD1-N 3.04Å; D474-T476 PolarHBondContact OD1-OG1 3.26Å
477	V	75.4	Confident	70.3	Confident	14 Å²	14	92.4 Å²	92.4	9%	0.085	55%	0.545	C	S	.	.			trans	-77.6	141.3	166.4	-176.9	0	0	0	0	107.2	V456 C458 E463 C479 A490	V456-V477 HydrophobicContact CB-CG2 4.08Å; V456-V477 HydrophobicContact CG1-CG2 3.38Å; C458-V477 HydrophobicContact CB-CG1 4.11Å; C458-V477 HydrophobicContact CB-CG2 4.49Å; E463-V477 HydrophobicContact CB-CG1 3.57Å; E463-V477 HydrophobicContact CG-CG1 3.47Å; E463-V477 VanDerWaalsContact CG-CG1 3.47Å; V477-C479 HydrophobicContact CG1-CB 4.25Å; V477-C479 PolarHBondContact O-N 2.68Å; V477-A490 HydrophobicContact CG2-CB 3.8Å
478	P	77.3	Confident	69.3	Low	95 Å²	95	100.2 Å²	100.2	62%	0.617	58%	0.578	S	S	*	*	S	Bend	trans	-69.9	29.3	-179.6	28.9	-36.2	0	0	0	114.4	E463	E463-P478 HydrophobicContact CG-CG 3.83Å
479	C	81.8	Confident	69.3	Low	24 Å²	24	92.3 Å²	92.3	16%	0.162	55%	0.545	C	S	.	.	S	Bend	trans	-114.6	146.6	178.4	76.1	0	0	0	0	111.5	C461 E463 V477 C481	C461-C479 VanDerWaalsContact SG-SG 3.69Å; E463-C479 HydrophobicContact CB-CB 3.96Å; E463-C479 HydrophobicContact CG-CB 4.22Å; V477-C479 HydrophobicContact CG1-CB 4.25Å; V477-C479 PolarHBondContact O-N 2.68Å; C479-C481 VanDerWaalsContact C-N 3.25Å; C479-C481 PolarHBondContact O-N 3.26Å
480	N	81.2	Confident	70	Confident	142 Å²	142	88.4 Å²	88.4	76%	0.759	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	11.9	-179.9	-64.2	-13.5	0	0	0	113.7	H482 G483 S484	N480-H482 PolarHBondContact O-N 3.11Å; N480-G483 PolarHBondContact O-N 3.42Å; N480-G483 VanDerWaalsContact O-N 3.09Å; N480-S484 PolarHBondContact O-N 2.89Å
481	C	81.8	Confident	71.2	Confident	17 Å²	17	87.1 Å²	87.1	12%	0.115	51%	0.511	C	S	.	.	H	α-helix	trans	-62.3	-27.7	-175.3	-66.2	0	0	0	0	113.6	C461 C479 G483 S484 L485	C461-C481 VanDerWaalsContact CB-SG 3.6Å; C461-C481 VanDerWaalsContact SG-SG 3.67Å; C479-C481 VanDerWaalsContact C-N 3.25Å; C479-C481 PolarHBondContact O-N 3.26Å; C481-G483 VanDerWaalsContact C-N 3.29Å; C481-G483 PolarHBondContact O-N 3.31Å; C481-S484 PolarHBondContact O-N 3.1Å; C481-L485 PolarHBondContact O-N 3.19Å
482	H	73.6	Confident	73	Confident	122 Å²	122	82.2 Å²	82.2	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-63.1	-34.1	175.7	-177.5	-87.3	0	0	0	112.8	N480 L485 G487	N480-H482 PolarHBondContact O-N 3.11Å; H482-L485 CarbonylContact O-C 3.6Å; H482-L485 VanDerWaalsContact O-O 3.09Å; H482-G487 PolarHBondContact CD2-O 3.12Å
483	G	73.7	Confident	74.8	Confident	71 Å²	71	73.6 Å²	73.6	73%	0.732	44%	0.44	S	S	*	.	H	α-helix	trans	-77.1	-34.2	175.5	0	0	0	0	0	112.8	N480 C481	N480-G483 PolarHBondContact O-N 3.42Å; N480-G483 VanDerWaalsContact O-N 3.09Å; C481-G483 VanDerWaalsContact C-N 3.29Å; C481-G483 PolarHBondContact O-N 3.31Å
484	S	74.1	Confident	76.6	Confident	96 Å²	96	69.6 Å²	69.6	67%	0.671	42%	0.418	S	S	*	.	H	α-helix	trans	-80.7	-27.2	179.5	-50.6	0	0	0	0	113.9	N480 C481	N480-S484 PolarHBondContact O-N 2.89Å; C481-S484 PolarHBondContact O-N 3.1Å
485	L	72	Confident	78.2	Confident	57 Å²	57	66.2 Å²	66.2	30%	0.298	40%	0.402	S	S	.	.	S	Bend	trans	-127.5	101.3	174.2	-71.5	106.9	0	0	0	108.2	W460 C481 H482 G487 T489	W460-L485 HydrophobicContact CD2-CD1 3.87Å; W460-L485 HydrophobicContact CD2-CD2 4.22Å; W460-L485 HydrophobicContact CE3-CD1 4.44Å; W460-L485 HydrophobicContact CE3-CD2 3.95Å; W460-L485 HydrophobicContact CG-CD1 4.08Å; W460-L485 HydrophobicContact CH2-CD2 4.04Å; W460-L485 HydrophobicContact CZ2-CD1 4.15Å; W460-L485 HydrophobicContact CZ2-CD2 4.31Å; W460-L485 HydrophobicContact CZ3-CD2 3.86Å; C481-L485 PolarHBondContact O-N 3.19Å; H482-L485 CarbonylContact O-C 3.6Å; H482-L485 VanDerWaalsContact O-O 3.09Å; L485-G487 PolarHBondContact O-N 2.86Å; L485-T489 HydrophobicContact CB-CG2 4.4Å
486	P	58.2	Low	79.9	Confident	133 Å²	133	62 Å²	62	86%	0.864	38%	0.379	S	S	*	.	S	Bend	trans	-63.5	99.9	178.9	23.5	-30.3	0	0	0	109.7
487	G	61.3	Low	81.4	Confident	37 Å²	37	57.6 Å²	57.6	38%	0.381	35%	0.352	S	S	.	.	S	Bend	trans	169	156.2	-176.1	0	0	0	0	0	111.8	H482 L485 T489	H482-G487 PolarHBondContact CD2-O 3.12Å; L485-G487 PolarHBondContact O-N 2.86Å; G487-T489 VanDerWaalsContact C-N 3.34Å; G487-T489 PolarHBondContact O-N 2.91Å
488	K	67.8	Low	82.4	Confident	194 Å²	194	58.1 Å²	58.1	84%	0.843	36%	0.358	S	S	*	.			trans	-72.4	87.3	174.9	-68.4	-174.5	-179.2	-176.8	0	109.9	A490	K488-A490 VanDerWaalsContact C-N 3.31Å
489	T	83.8	Confident	83.3	Confident	20 Å²	20	54.1 Å²	54.1	12%	0.123	33%	0.334	C	S	.	.			trans	-77	-19.5	175.8	59.4	0	0	0	0	112.9	C458 Q459 W460 L485 G487	C458-T489 CarbonylContact C-O 3.54Å; C458-T489 WeakPolarHBondContact CA-O 3.47Å; Q459-T489 PolarHBondContact N-O 2.9Å; W460-T489 HydrophobicContact CB-CG2 4.45Å; L485-T489 HydrophobicContact CB-CG2 4.4Å; G487-T489 VanDerWaalsContact C-N 3.34Å; G487-T489 PolarHBondContact O-N 2.91Å
490	A	87	Confident	83.9	Confident	40 Å²	40	54.4 Å²	54.4	33%	0.331	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.8	178.7	0	0	0	0	0	111.5	V456 H457 V477 K488	V456-A490 HydrophobicContact CG1-CB 3.91Å; H457-A490 CarbonylContact O-C 3.49Å; H457-A490 WeakPolarHBondContact O-CA 3.45Å; V477-A490 HydrophobicContact CG2-CB 3.8Å; K488-A490 VanDerWaalsContact C-N 3.31Å
491	V	90.3	Very high	84.7	Confident	30 Å²	30	47.7 Å²	47.7	18%	0.182	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.6	172.9	-66.2	0	0	0	0	110.2	V392 V456 H457 Q459 L493	V392-V491 HydrophobicContact CG2-CG2 4.14Å; V456-V491 WeakPolarHBondContact CA-O 3.08Å; H457-V491 HydrophobicContact CB-CG2 4.34Å; H457-V491 PolarHBondContact N-O 3.46Å; H457-V491 WeakPolarHBondContact O-CG2 3.45Å; H457-V491 PolarHBondContact O-N 3.44Å; Q459-V491 VanDerWaalsContact CD-CG1 3.43Å; Q459-V491 HydrophobicContact CG-CB 4.41Å; Q459-V491 HydrophobicContact CG-CG1 3.83Å; Q459-V491 HydrophobicContact CG-CG2 3.68Å; V491-L493 HydrophobicContact CG2-CD2 3.99Å; V491-L493 HydrophobicContact CG2-CG 4.49Å
492	Q	92.2	Very high	85.4	Confident	69 Å²	69	47.4 Å²	47.4	32%	0.322	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.5	178.2	-164.5	-153.3	-95.5	0	0	110	K454 L455 L467	K454-Q492 HydrophobicContact CB-CG 4.03Å; K454-Q492 VanDerWaalsContact CD-CD 3.47Å; K454-Q492 HydrophobicContact CD-CG 4.29Å; K454-Q492 VanDerWaalsContact CD-NE2 3.33Å; K454-Q492 HydrophobicContact CG-CG 4.36Å; L455-Q492 CarbonylContact O-C 3.52Å; L455-Q492 WeakPolarHBondContact O-CA 3.25Å; L467-Q492 HydrophobicContact CD1-CG 4.5Å
493	L	94.4	Very high	86.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	157.6	179.8	-47.1	-178.1	0	0	0	110.9	H390 V392 T394 L400 K454 L455 H457 V491	H390-L493 CarbonylContact O-C 3.56Å; H390-L493 WeakPolarHBondContact O-CA 3.3Å; V392-L493 HydrophobicContact CB-CD2 4.27Å; V392-L493 HydrophobicContact CG1-CD2 3.93Å; V392-L493 HydrophobicContact CG2-CD1 4.23Å; V392-L493 HydrophobicContact CG2-CD2 3.71Å; T394-L493 HydrophobicContact CG2-CD1 4.26Å; L400-L493 HydrophobicContact CD2-CD1 4.36Å; K454-L493 WeakPolarHBondContact CA-O 3.34Å; L455-L493 HydrophobicContact CB-CB 4.35Å; L455-L493 HydrophobicContact CD2-CD1 4.28Å; L455-L493 PolarHBondContact N-O 3.1Å; L455-L493 PolarHBondContact O-N 3.48Å; H457-L493 HydrophobicContact CB-CD1 4.1Å; V491-L493 HydrophobicContact CG2-CD2 3.99Å; V491-L493 HydrophobicContact CG2-CG 4.49Å
494	G	93.9	Very high	87.5	Confident	8 Å²	8	42 Å²	42	8%	0.082	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.2	-156.8	172.5	0	0	0	0	0	115.4	C389 H390	C389-G494 WeakPolarHBondContact CA-O 3.41Å; H390-G494 PolarHBondContact N-O 3.09Å; H390-G494 PolarHBondContact O-N 3.38Å
495	P	94.8	Very high	88.6	Confident	39 Å²	39	39 Å²	39	25%	0.253	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-67.3	144.5	8.9	28.9	-35.7	0	0	0	113.1	C389	C389-P495 PolarHBondContact SG-O 3.04Å
496	L	97	Very high	89.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	161.9	-178	-60.1	167.6	0	0	0	110.2	L400 R403 M404 L452 R453 L455 F466 A498 F600	L400-L496 HydrophobicContact CD1-CD1 3.32Å; L400-L496 HydrophobicContact CD1-CD2 3.77Å; L400-L496 HydrophobicContact CD1-CG 4.17Å; R403-L496 HydrophobicContact CB-CB 4.33Å; M404-L496 HydrophobicContact CB-CD2 3.97Å; L452-L496 WeakPolarHBondContact CA-O 3.37Å; R453-L496 PolarHBondContact N-O 2.86Å; R453-L496 PolarHBondContact O-N 3.44Å; L455-L496 HydrophobicContact CB-CD1 3.8Å; L455-L496 HydrophobicContact CD2-CD1 3.88Å; L455-L496 HydrophobicContact CG-CD1 4.49Å; F466-L496 HydrophobicContact CE1-CB 4.04Å; F466-L496 HydrophobicContact CE1-CD1 4.31Å; L496-A498 PolarHBondContact O-N 3.01Å; L496-F600 HydrophobicContact CD1-CZ 4.41Å
497	W	97.8	Very high	91.7	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	116.6	169.1	-177.9	-105.6	0	0	0	110.7	R403 V406 A410 I420 V422 S448 K451 L452 G499 P500	R403-W497 HydrophobicContact CB-CB 4.35Å; R403-W497 WeakPolarHBondContact CD-O 3.37Å; R403-W497 WeakPolarHBondContact CG-O 3.42Å; R403-W497 PolarHBondContact NH1-O 3.16Å; R403-W497 WeakPolarHBondContact O-CB 3.41Å; R403-W497 PolarHBondContact O-N 2.97Å; R403-W497 VanDerWaalsContact O-N 3.12Å; V406-W497 HydrophobicContact CB-CB 3.83Å; V406-W497 HydrophobicContact CB-CG 4.03Å; V406-W497 HydrophobicContact CG1-CB 3.65Å; V406-W497 HydrophobicContact CG1-CD2 3.47Å; V406-W497 VanDerWaalsContact CG1-CD2 3.47Å; V406-W497 HydrophobicContact CG1-CE3 3.94Å; V406-W497 HydrophobicContact CG1-CG 3.34Å; A410-W497 HydrophobicContact CB-CE3 4.25Å; A410-W497 HydrophobicContact CB-CZ3 4.07Å; I420-W497 HydrophobicContact CD1-CH2 4.31Å; I420-W497 HydrophobicContact CD1-CZ3 4.22Å; I420-W497 HydrophobicContact CG1-CH2 4.06Å; I420-W497 HydrophobicContact CG1-CZ3 4.2Å; V422-W497 HydrophobicContact CG2-CZ2 3.81Å; S448-W497 WeakPolarHBondContact O-CZ3 3.4Å; K451-W497 HydrophobicContact CB-CD2 4.34Å; K451-W497 HydrophobicContact CB-CE3 3.85Å; K451-W497 HydrophobicContact CB-CH2 3.87Å; K451-W497 HydrophobicContact CB-CZ2 4.32Å; K451-W497 HydrophobicContact CB-CZ3 3.6Å; K451-W497 HydrophobicContact CD-CH2 3.35Å; K451-W497 HydrophobicContact CD-CZ2 3.59Å; K451-W497 HydrophobicContact CD-CZ3 4Å; K451-W497 HydrophobicContact CG-CH2 4.24Å; K451-W497 HydrophobicContact CG-CZ3 4.43Å; L452-W497 HydrophobicContact CD2-CE3 4.15Å; W497-G499 PolarHBondContact NE1-O 3.44Å; W497-P500 PolarHBondContact NE1-O 2.95Å
498	A	96.6	Very high	93.4	Very high	25 Å²	25	33.5 Å²	33.5	21%	0.207	19%	0.187	C	C	.	.			trans	-91.1	-12.5	176.6	0	0	0	0	0	113.5	K451 R453 F466 L496	K451-A498 WeakPolarHBondContact O-CB 3.26Å; K451-A498 PolarHBondContact O-N 2.93Å; R453-A498 HydrophobicContact CB-CB 4.02Å; R453-A498 HydrophobicContact CG-CB 3.95Å; F466-A498 HydrophobicContact CB-CB 4.47Å; F466-A498 HydrophobicContact CD1-CB 3.89Å; F466-A498 HydrophobicContact CD2-CB 3.82Å; F466-A498 HydrophobicContact CE1-CB 4Å; F466-A498 HydrophobicContact CE2-CB 3.91Å; F466-A498 HydrophobicContact CG-CB 3.81Å; F466-A498 HydrophobicContact CZ-CB 4.01Å; L496-A498 PolarHBondContact O-N 3.01Å
499	G	95.6	Very high	94.8	Very high	11 Å²	11	28.2 Å²	28.2	11%	0.113	16%	0.162	C	C	.	.	S	Bend	trans	-74	-175.9	179.2	0	0	0	0	0	114	R403 W497	R403-G499 PolarHBondContact NH1-O 3.39Å; W497-G499 PolarHBondContact NE1-O 3.44Å
500	P	96.1	Very high	95.5	Very high	30 Å²	30	27.3 Å²	27.3	20%	0.195	16%	0.156	C	C	.	.			trans	-61.2	149.1	174.3	-22.3	34.6	0	0	0	112	W497 D596	W497-P500 PolarHBondContact NE1-O 2.95Å; P500-D596 HydrophobicContact CG-CB 4.1Å; P500-D596 VanDerWaalsContact CG-CG 3.49Å; P500-D596 VanDerWaalsContact CG-OD1 3.26Å; P500-D596 WeakPolarHBondContact CG-OD1 3.42Å
501	L	97.3	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-101.6	-5.3	175.3	-68.4	179	0	0	0	113	E399 R403 V406 V422 L424 A425 H597 F636	E399-L501 HydrophobicContact CG-CD1 3.85Å; R403-L501 HydrophobicContact CG-CD1 4.09Å; R403-L501 HydrophobicContact CG-CD2 3.97Å; R403-L501 HydrophobicContact CG-CG 4.44Å; V406-L501 HydrophobicContact CG2-CD2 4.21Å; V422-L501 WeakPolarHBondContact CG1-O 3.32Å; L424-L501 CarbonylContact C-O 3.08Å; L424-L501 WeakPolarHBondContact CA-O 3.11Å; A425-L501 HydrophobicContact CB-CB 4.2Å; A425-L501 HydrophobicContact CB-CD2 4.08Å; A425-L501 PolarHBondContact N-O 3.47Å; L501-H597 PolarHBondContact N-NE2 3.35Å; L501-F636 HydrophobicContact CD1-CE2 4.28Å; L501-F636 HydrophobicContact CD1-CZ 4.15Å
502	F	96.4	Very high	96.3	Very high	12 Å²	12	29 Å²	29	5%	0.053	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-142.1	141	-171.1	-51.4	-65.2	0	0	0	110.4	L424 A425 L507 L529 E532 S533 H597 H635	L424-F502 HydrophobicContact CD1-CD1 3.84Å; L424-F502 HydrophobicContact CD1-CE1 3.95Å; A425-F502 VanDerWaalsContact O-CE1 3.24Å; A425-F502 WeakPolarHBondContact O-CE1 3.35Å; F502-L507 HydrophobicContact CB-CD1 3.92Å; F502-L507 HydrophobicContact CD1-CD1 4.27Å; F502-L507 HydrophobicContact CG-CD1 4.35Å; F502-L529 HydrophobicContact CD1-CD2 4.34Å; F502-L529 HydrophobicContact CE1-CD2 3.6Å; F502-L529 HydrophobicContact CZ-CD2 4.12Å; F502-E532 HydrophobicContact CE2-CB 4.44Å; F502-E532 HydrophobicContact CE2-CG 3.8Å; F502-E532 HydrophobicContact CZ-CG 4.29Å; F502-S533 VanDerWaalsContact CB-CB 3.49Å; F502-H597 AromaticContact CD2-CD2 3.6Å; F502-H597 AromaticContact CD2-NE2 3.47Å; F502-H597 WeakPolarHBondContact CD2-NE2 3.31Å; F502-H597 AromaticContact CE2-NE2 3.9Å; F502-H635 AromaticContact CZ-CE1 3.85Å
503	N	96.6	Very high	96.5	Very high	44 Å²	44	25.7 Å²	25.7	24%	0.235	15%	0.149	C	C	.	.			trans	-106.7	108.2	163.2	-179.2	-56.1	0	0	0	108.6	E421 L423 G505 F506 L507	E421-N503 PolarHBondContact OE1-ND2 2.81Å; L423-N503 HydrophobicContact CD2-CB 4.18Å; L423-N503 PolarHBondContact O-N 3.46Å; N503-G505 VanDerWaalsContact C-N 3.31Å; N503-G505 PolarHBondContact O-N 3.49Å; N503-G505 PolarHBondContact OD1-N 3.42Å; N503-G505 VanDerWaalsContact OD1-N 3.11Å; N503-F506 HydrophobicContact CB-CB 3.92Å; N503-F506 WeakPolarHBondContact O-CB 3.44Å; N503-F506 PolarHBondContact O-N 3.48Å; N503-F506 VanDerWaalsContact O-N 3.13Å; N503-F506 PolarHBondContact OD1-N 2.83Å; N503-L507 WeakPolarHBondContact O-CG 3.01Å; N503-L507 PolarHBondContact O-N 3.44Å
504	T	95.4	Very high	96.7	Very high	36 Å²	36	25.7 Å²	25.7	22%	0.221	15%	0.149	C	C	.	.	H	α-helix	trans	-57.8	-41.2	-175.7	-51.2	0	0	0	0	113	F506 L507 R508 I530 S533 E534	T504-F506 VanDerWaalsContact C-N 3.33Å; T504-F506 PolarHBondContact O-N 3.32Å; T504-L507 PolarHBondContact O-N 3.44Å; T504-R508 WeakPolarHBondContact O-CG 3.39Å; T504-R508 PolarHBondContact O-N 3.38Å; T504-I530 HydrophobicContact CG2-CG2 4.46Å; T504-S533 WeakPolarHBondContact OG1-CB 3.4Å; T504-S533 PolarHBondContact OG1-OG 3.38Å; T504-E534 HydrophobicContact CG2-CG 3.68Å; T504-E534 VanDerWaalsContact CG2-OE1 3.22Å; T504-E534 WeakPolarHBondContact CG2-OE1 3.45Å
505	G	95.7	Very high	96.8	Very high	33 Å²	33	29.2 Å²	29.2	34%	0.34	17%	0.169	S	C	.	.	H	α-helix	trans	-63.4	-40.9	178.2	0	0	0	0	0	112	N503 R509	N503-G505 VanDerWaalsContact C-N 3.31Å; N503-G505 PolarHBondContact O-N 3.49Å; N503-G505 PolarHBondContact OD1-N 3.42Å; N503-G505 VanDerWaalsContact OD1-N 3.11Å; G505-R509 PolarHBondContact O-N 2.89Å; G505-R509 PolarHBondContact O-NH1 3.02Å
506	F	97.3	Very high	96.9	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-44.6	174.8	-167.2	-95.2	0	0	0	111.7	V238 I364 L423 N503 T504 R508 R509 M510	V238-F506 HydrophobicContact CB-CE2 3.86Å; V238-F506 HydrophobicContact CB-CZ 4.03Å; V238-F506 HydrophobicContact CG1-CD2 3.7Å; V238-F506 HydrophobicContact CG1-CE2 3.39Å; V238-F506 HydrophobicContact CG1-CZ 4.07Å; I364-F506 HydrophobicContact CD1-CE2 4.03Å; I364-F506 HydrophobicContact CD1-CZ 4.01Å; L423-F506 HydrophobicContact CB-CD1 3.76Å; L423-F506 HydrophobicContact CB-CE1 4Å; L423-F506 HydrophobicContact CB-CG 4.1Å; L423-F506 HydrophobicContact CD1-CD1 4.32Å; L423-F506 HydrophobicContact CD1-CD2 4.03Å; L423-F506 HydrophobicContact CD1-CE1 4.03Å; L423-F506 HydrophobicContact CD1-CE2 3.74Å; L423-F506 HydrophobicContact CD1-CG 4.32Å; L423-F506 HydrophobicContact CD1-CZ 3.74Å; L423-F506 HydrophobicContact CD2-CB 4.24Å; L423-F506 HydrophobicContact CD2-CD2 4.03Å; L423-F506 HydrophobicContact CD2-CG 4.02Å; L423-F506 HydrophobicContact CG-CD1 4.44Å; L423-F506 HydrophobicContact CG-CD2 4.47Å; L423-F506 HydrophobicContact CG-CG 4.38Å; N503-F506 HydrophobicContact CB-CB 3.92Å; N503-F506 WeakPolarHBondContact O-CB 3.44Å; N503-F506 PolarHBondContact O-N 3.48Å; N503-F506 VanDerWaalsContact O-N 3.13Å; N503-F506 PolarHBondContact OD1-N 2.83Å; T504-F506 VanDerWaalsContact C-N 3.33Å; T504-F506 PolarHBondContact O-N 3.32Å; F506-R508 VanDerWaalsContact C-N 3.33Å; F506-R508 PolarHBondContact O-N 3.33Å; F506-R509 PolarHBondContact O-N 2.86Å; F506-M510 HydrophobicContact CD1-CG 3.83Å; F506-M510 HydrophobicContact CD1-SD 3.62Å; F506-M510 HydrophobicContact CE1-CG 3.67Å; F506-M510 HydrophobicContact CE1-SD 3.43Å; F506-M510 WeakPolarHBondContact CE1-SD 3.38Å; F506-M510 HydrophobicContact CZ-CG 4.45Å; F506-M510 WeakPolarHBondContact O-CG 3.47Å; F506-M510 PolarHBondContact O-N 3.26Å
507	L	97.7	Very high	96.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-37.3	177.9	-65.5	179.1	0	0	0	113.2	L424 F502 N503 T504 M510 L511 V526 L529 I530	L424-L507 HydrophobicContact CB-CD2 4.14Å; L424-L507 HydrophobicContact CD1-CD2 3.79Å; L424-L507 HydrophobicContact CD2-CD2 4.37Å; L424-L507 HydrophobicContact CG-CD2 4.31Å; F502-L507 HydrophobicContact CB-CD1 3.92Å; F502-L507 HydrophobicContact CD1-CD1 4.27Å; F502-L507 HydrophobicContact CG-CD1 4.35Å; N503-L507 WeakPolarHBondContact O-CG 3.01Å; N503-L507 PolarHBondContact O-N 3.44Å; T504-L507 PolarHBondContact O-N 3.44Å; L507-M510 HydrophobicContact CD2-SD 4.07Å; L507-M510 WeakPolarHBondContact O-CB 3.43Å; L507-M510 PolarHBondContact O-N 3.41Å; L507-L511 PolarHBondContact O-N 3Å; L507-V526 WeakPolarHBondContact O-CG1 3.15Å; L507-L529 HydrophobicContact CD1-CB 3.91Å; L507-L529 HydrophobicContact CD2-CB 4.47Å; L507-I530 HydrophobicContact CB-CD1 4.45Å; L507-I530 HydrophobicContact CB-CG1 3.63Å; L507-I530 HydrophobicContact CD1-CG1 4.43Å
508	R	97.6	Very high	96.6	Very high	108 Å²	108	39.7 Å²	39.7	41%	0.408	22%	0.224	S	C	.	.	H	α-helix	trans	-63.3	-42.9	174.5	-73	176.4	-176.7	-85.1	1.3	111.3	T504 F506 L511 S512 I530 E534	T504-R508 WeakPolarHBondContact O-CG 3.39Å; T504-R508 PolarHBondContact O-N 3.38Å; F506-R508 VanDerWaalsContact C-N 3.33Å; F506-R508 PolarHBondContact O-N 3.33Å; R508-L511 WeakPolarHBondContact O-CB 3.18Å; R508-L511 PolarHBondContact O-N 3.4Å; R508-S512 PolarHBondContact O-N 3.33Å; R508-S512 VanDerWaalsContact O-N 3.14Å; R508-S512 PolarHBondContact O-OG 3.48Å; R508-I530 HydrophobicContact CG-CD1 4.07Å; R508-I530 HydrophobicContact CG-CG1 4.42Å; R508-I530 HydrophobicContact CG-CG2 4.45Å; R508-E534 IonicContact CZ-OE1 3.21Å; R508-E534 IonicContact NE-OE1 3.99Å; R508-E534 IonicContact NH2-OE1 3.1Å; R508-E534 PolarHBondContact NH2-OE1 3.29Å; R508-E534 IonicContact NH2-OE2 3.25Å; R508-E534 PolarHBondContact NH2-OE2 2.98Å
509	R	97.7	Very high	96.5	Very high	84 Å²	84	38.5 Å²	38.5	32%	0.317	21%	0.214	S	C	.	.	H	α-helix	trans	-65.8	-38.3	173.5	-65.2	-163	-62.1	-78.5	10.4	112.3	V238 E242 G505 F506 L511 S512 A513	V238-R509 HydrophobicContact CB-CB 4.43Å; V238-R509 HydrophobicContact CG1-CB 3.79Å; V238-R509 VanDerWaalsContact CG1-NE 3.28Å; V238-R509 HydrophobicContact CG2-CB 3.69Å; E242-R509 IonicContact OE1-CZ 2.67Å; E242-R509 IonicContact OE1-NE 3.57Å; E242-R509 IonicContact OE1-NH2 2.7Å; E242-R509 PolarHBondContact OE1-NH2 3.21Å; G505-R509 PolarHBondContact O-N 2.89Å; G505-R509 PolarHBondContact O-NH1 3.02Å; F506-R509 PolarHBondContact O-N 2.86Å; R509-L511 VanDerWaalsContact C-N 3.28Å; R509-L511 PolarHBondContact O-N 3.35Å; R509-S512 WeakPolarHBondContact O-CB 3.04Å; R509-S512 PolarHBondContact O-N 2.99Å; R509-A513 PolarHBondContact O-N 2.69Å
510	M	97.8	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-37.4	173.2	-72.3	-177	72.7	0	0	112.1	L231 C234 V238 L424 F506 L507 A513 A514 V526	L231-M510 HydrophobicContact CD2-CE 4.19Å; L231-M510 VanDerWaalsContact O-CE 3.28Å; L231-M510 WeakPolarHBondContact O-CE 3.34Å; C234-M510 HydrophobicContact CB-CB 4.28Å; C234-M510 HydrophobicContact CB-CE 3.86Å; C234-M510 HydrophobicContact CB-CG 4.38Å; V238-M510 HydrophobicContact CG2-CG 4Å; L424-M510 HydrophobicContact CD2-CE 3.89Å; L424-M510 HydrophobicContact CD2-SD 4.11Å; F506-M510 HydrophobicContact CD1-CG 3.83Å; F506-M510 HydrophobicContact CD1-SD 3.62Å; F506-M510 HydrophobicContact CE1-CG 3.67Å; F506-M510 HydrophobicContact CE1-SD 3.43Å; F506-M510 WeakPolarHBondContact CE1-SD 3.38Å; F506-M510 HydrophobicContact CZ-CG 4.45Å; F506-M510 WeakPolarHBondContact O-CG 3.47Å; F506-M510 PolarHBondContact O-N 3.26Å; L507-M510 HydrophobicContact CD2-SD 4.07Å; L507-M510 WeakPolarHBondContact O-CB 3.43Å; L507-M510 PolarHBondContact O-N 3.41Å; M510-A513 PolarHBondContact O-N 3.33Å; M510-A514 WeakPolarHBondContact O-CB 3.49Å; M510-A514 PolarHBondContact O-N 2.63Å; M510-V526 HydrophobicContact CB-CG1 4.44Å
511	L	97.8	Very high	96.2	Very high	31 Å²	31	46.4 Å²	46.4	16%	0.162	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-43.4	174.9	-177.8	61.1	0	0	0	111.2	L507 R508 R509 A514 V515 Q523 V526 K527 I530	L507-L511 PolarHBondContact O-N 3Å; R508-L511 WeakPolarHBondContact O-CB 3.18Å; R508-L511 PolarHBondContact O-N 3.4Å; R509-L511 VanDerWaalsContact C-N 3.28Å; R509-L511 PolarHBondContact O-N 3.35Å; L511-A514 PolarHBondContact O-N 3.18Å; L511-V515 WeakPolarHBondContact O-CG2 3.46Å; L511-V515 PolarHBondContact O-N 3.45Å; L511-Q523 HydrophobicContact CD1-CB 4Å; L511-Q523 HydrophobicContact CD1-CG 4.09Å; L511-V526 HydrophobicContact CB-CG1 3.82Å; L511-V526 HydrophobicContact CD1-CB 4.35Å; L511-V526 HydrophobicContact CD1-CG1 4.38Å; L511-K527 HydrophobicContact CD1-CG 4.15Å; L511-K527 HydrophobicContact CD2-CG 3.9Å; L511-I530 HydrophobicContact CB-CD1 4.24Å; L511-I530 HydrophobicContact CD2-CD1 3.97Å
512	S	97.5	Very high	96.1	Very high	75 Å²	75	46.4 Å²	46.4	52%	0.524	25%	0.253	S	S	.	.	H	α-helix	trans	-59.6	-46.1	174.4	-58.7	0	0	0	0	111.8	R508 R509 A514 V515 Q516	R508-S512 PolarHBondContact O-N 3.33Å; R508-S512 VanDerWaalsContact O-N 3.14Å; R508-S512 PolarHBondContact O-OG 3.48Å; R509-S512 WeakPolarHBondContact O-CB 3.04Å; R509-S512 PolarHBondContact O-N 2.99Å; S512-A514 VanDerWaalsContact C-N 3.35Å; S512-A514 PolarHBondContact O-N 2.61Å; S512-V515 PolarHBondContact O-N 3.37Å; S512-Q516 WeakPolarHBondContact O-CB 3.24Å; S512-Q516 PolarHBondContact O-N 3.4Å
513	A	96.6	Very high	96	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-41.2	176.1	0	0	0	0	0	112.1	C234 A237 V238 R509 M510 V515 Q516 H517	C234-A513 HydrophobicContact CB-CB 4.49Å; A237-A513 HydrophobicContact CB-CB 4.06Å; V238-A513 HydrophobicContact CG2-CB 4.41Å; R509-A513 PolarHBondContact O-N 2.69Å; M510-A513 PolarHBondContact O-N 3.33Å; A513-V515 VanDerWaalsContact C-N 3.31Å; A513-V515 PolarHBondContact O-N 3.2Å; A513-Q516 PolarHBondContact O-N 3.22Å; A513-H517 PolarHBondContact O-CD2 2.84Å; A513-H517 VanDerWaalsContact O-CD2 3.31Å; A513-H517 PolarHBondContact O-N 3.49Å
514	A	97.1	Very high	96	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-38.3	176.3	0	0	0	0	0	112.3	M510 L511 S512 S518 M519 I522 Q523	M510-A514 WeakPolarHBondContact O-CB 3.49Å; M510-A514 PolarHBondContact O-N 2.63Å; L511-A514 PolarHBondContact O-N 3.18Å; S512-A514 VanDerWaalsContact C-N 3.35Å; S512-A514 PolarHBondContact O-N 2.61Å; A514-S518 PolarHBondContact O-N 3.34Å; A514-M519 HydrophobicContact CB-CB 4.32Å; A514-M519 PolarHBondContact O-N 2.74Å; A514-I522 HydrophobicContact CB-CD1 3.86Å; A514-I522 HydrophobicContact CB-CG1 4.09Å; A514-Q523 HydrophobicContact CB-CG 4.18Å
515	V	96.8	Very high	96	Very high	82 Å²	82	49 Å²	49	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-68.7	-47.6	174.9	172.9	0	0	0	0	110.7	L511 S512 A513 H517 S518 Q523	L511-V515 WeakPolarHBondContact O-CG2 3.46Å; L511-V515 PolarHBondContact O-N 3.45Å; S512-V515 PolarHBondContact O-N 3.37Å; A513-V515 VanDerWaalsContact C-N 3.31Å; A513-V515 PolarHBondContact O-N 3.2Å; V515-H517 VanDerWaalsContact C-N 3.26Å; V515-H517 PolarHBondContact O-N 2.82Å; V515-S518 PolarHBondContact O-N 2.86Å; V515-S518 VanDerWaalsContact O-N 3.09Å; V515-Q523 HydrophobicContact CG2-CG 4.48Å
516	Q	95.6	Very high	96	Very high	132 Å²	132	47.5 Å²	47.5	62%	0.617	25%	0.253	S	S	*	.	H	α-helix	trans	-59.1	-36.4	-179	-177.7	177.7	-1.6	0	0	112.9	S512 A513	S512-Q516 WeakPolarHBondContact O-CB 3.24Å; S512-Q516 PolarHBondContact O-N 3.4Å; A513-Q516 PolarHBondContact O-N 3.22Å
517	H	94.4	Very high	96	Very high	37 Å²	37	51.3 Å²	51.3	17%	0.171	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	16.4	179.4	-67.9	-81.3	0	0	0	113.7	F233 A513 V515 M519	F233-H517 HydrophobicContact CE1-CB 4.16Å; F233-H517 AromaticContact CE1-CD2 3.63Å; F233-H517 AromaticContact CE1-CG 3.66Å; F233-H517 AromaticContact CE1-ND1 3.93Å; F233-H517 AromaticContact CE1-NE2 3.88Å; F233-H517 AromaticContact CZ-CE1 3.92Å; F233-H517 AromaticContact CZ-ND1 3.88Å; A513-H517 PolarHBondContact O-CD2 2.84Å; A513-H517 VanDerWaalsContact O-CD2 3.31Å; A513-H517 PolarHBondContact O-N 3.49Å; V515-H517 VanDerWaalsContact C-N 3.26Å; V515-H517 PolarHBondContact O-N 2.82Å; H517-M519 VanDerWaalsContact C-N 3.34Å; H517-M519 HydrophobicContact CB-CE 3.83Å; H517-M519 HydrophobicContact CB-CG 4.31Å; H517-M519 PolarHBondContact O-N 3.49Å
518	S	94.6	Very high	95.8	Very high	91 Å²	91	53.2 Å²	53.2	64%	0.636	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	42.7	175.4	-49.1	0	0	0	0	114.2	A514 V515 D520	A514-S518 PolarHBondContact O-N 3.34Å; V515-S518 PolarHBondContact O-N 2.86Å; V515-S518 VanDerWaalsContact O-N 3.09Å; S518-D520 PolarHBondContact O-N 2.81Å
519	M	94.6	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.			trans	-97.4	63.7	178.2	-56.1	-166.2	-170.6	0	0	111.9	L201 Q230 F233 A514 H517 D521 I522	L201-M519 HydrophobicContact CD1-CE 3.87Å; L201-M519 HydrophobicContact CD1-CG 3.96Å; L201-M519 HydrophobicContact CD2-CE 3.39Å; L201-M519 HydrophobicContact CG-CE 4.28Å; Q230-M519 HydrophobicContact CB-SD 3.72Å; Q230-M519 HydrophobicContact CG-SD 3.75Å; F233-M519 HydrophobicContact CB-CE 4.11Å; F233-M519 HydrophobicContact CD1-CE 3.12Å; F233-M519 HydrophobicContact CD1-SD 4.25Å; F233-M519 HydrophobicContact CD2-CE 4.24Å; F233-M519 HydrophobicContact CE1-CE 3.53Å; F233-M519 HydrophobicContact CG-CE 3.55Å; F233-M519 HydrophobicContact CZ-CE 4.26Å; A514-M519 HydrophobicContact CB-CB 4.32Å; A514-M519 PolarHBondContact O-N 2.74Å; H517-M519 VanDerWaalsContact C-N 3.34Å; H517-M519 HydrophobicContact CB-CE 3.83Å; H517-M519 HydrophobicContact CB-CG 4.31Å; H517-M519 PolarHBondContact O-N 3.49Å; M519-D521 VanDerWaalsContact C-N 3.26Å; M519-D521 PolarHBondContact O-N 3.46Å; M519-I522 HydrophobicContact CB-CD1 4.21Å; M519-I522 HydrophobicContact CB-CG1 3.92Å; M519-I522 WeakPolarHBondContact O-CG1 3.35Å; M519-I522 PolarHBondContact O-N 3.35Å; M519-I522 HydrophobicContact SD-CD1 4.3Å
520	D	93.4	Very high	95.7	Very high	107 Å²	107	44.1 Å²	44.1	57%	0.572	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-61.1	-32.8	-173	-60.3	-42.8	0	0	0	113.7	S518 I522 Q523 P524	S518-D520 PolarHBondContact O-N 2.81Å; D520-I522 VanDerWaalsContact C-N 3.27Å; D520-I522 PolarHBondContact O-N 2.92Å; D520-Q523 PolarHBondContact O-N 3.33Å; D520-Q523 PolarHBondContact OD1-NE2 3.43Å; D520-P524 WeakPolarHBondContact O-CD 3.26Å
521	D	91.8	Very high	95.5	Very high	101 Å²	101	44.4 Å²	44.4	54%	0.54	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-58.4	-34.2	-177.8	-62.8	-33.6	0	0	0	113.7	K226 M519	K226-D521 WeakPolarHBondContact CE-OD2 3.46Å; K226-D521 IonicContact NZ-OD2 3.5Å; K226-D521 PolarHBondContact NZ-OD2 3.13Å; M519-D521 VanDerWaalsContact C-N 3.26Å; M519-D521 PolarHBondContact O-N 3.46Å
522	I	95.3	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-94.3	-16.6	-176	62.2	160.5	0	0	0	113.5	T227 Q230 C234 A514 M519 D520 P524 L525 V526	T227-I522 HydrophobicContact CG2-CG2 4.06Å; Q230-I522 HydrophobicContact CB-CD1 3.96Å; Q230-I522 HydrophobicContact CB-CG1 4.41Å; Q230-I522 HydrophobicContact CB-CG2 3.7Å; Q230-I522 HydrophobicContact CG-CG2 4.48Å; Q230-I522 VanDerWaalsContact OE1-CG2 3.3Å; C234-I522 VanDerWaalsContact SG-CD1 3.6Å; A514-I522 HydrophobicContact CB-CD1 3.86Å; A514-I522 HydrophobicContact CB-CG1 4.09Å; M519-I522 HydrophobicContact CB-CD1 4.21Å; M519-I522 HydrophobicContact CB-CG1 3.92Å; M519-I522 WeakPolarHBondContact O-CG1 3.35Å; M519-I522 PolarHBondContact O-N 3.35Å; M519-I522 HydrophobicContact SD-CD1 4.3Å; D520-I522 VanDerWaalsContact C-N 3.27Å; D520-I522 PolarHBondContact O-N 2.92Å; I522-P524 VanDerWaalsContact C-CD 3.48Å; I522-L525 WeakPolarHBondContact O-CB 3.49Å; I522-L525 PolarHBondContact O-N 3.09Å; I522-V526 HydrophobicContact CD1-CG2 4.45Å; I522-V526 WeakPolarHBondContact O-CG2 3.38Å; I522-V526 PolarHBondContact O-N 3.46Å
523	Q	95.7	Very high	95.2	Very high	30 Å²	30	39.6 Å²	39.6	14%	0.14	22%	0.218	C	C	.	.	H	α-helix	trans	-57	-41.2	-176.8	-63.8	176.8	25.2	0	0	113.1	L511 A514 V515 D520 L525 V526 K527	L511-Q523 HydrophobicContact CD1-CB 4Å; L511-Q523 HydrophobicContact CD1-CG 4.09Å; A514-Q523 HydrophobicContact CB-CG 4.18Å; V515-Q523 HydrophobicContact CG2-CG 4.48Å; D520-Q523 PolarHBondContact O-N 3.33Å; D520-Q523 PolarHBondContact OD1-NE2 3.43Å; Q523-L525 VanDerWaalsContact C-N 3.31Å; Q523-L525 PolarHBondContact O-N 3.23Å; Q523-V526 PolarHBondContact O-N 3.32Å; Q523-K527 WeakPolarHBondContact O-CB 3.18Å; Q523-K527 VanDerWaalsContact O-CG 3.28Å; Q523-K527 WeakPolarHBondContact O-CG 3.47Å; Q523-K527 PolarHBondContact O-N 2.72Å
524	P	95.4	Very high	95	Very high	81 Å²	81	42.1 Å²	42.1	53%	0.526	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-37.8	175.6	-23.3	34.5	0	0	0	113	D520 I522 T528	D520-P524 WeakPolarHBondContact O-CD 3.26Å; I522-P524 VanDerWaalsContact C-CD 3.48Å; P524-T528 WeakPolarHBondContact O-CB 3.41Å; P524-T528 PolarHBondContact O-N 3.01Å; P524-T528 PolarHBondContact O-OG1 3.39Å
525	L	95.6	Very high	94.8	Very high	35 Å²	35	42.2 Å²	42.2	18%	0.183	23%	0.23	C	C	.	.	H	α-helix	trans	-67.1	-48.9	176.7	177.9	59.9	0	0	0	110.3	T227 L231 V426 I522 Q523 K527 T528 L529 H635	T227-L525 HydrophobicContact CG2-CD2 3.93Å; L231-L525 HydrophobicContact CD1-CD2 4.13Å; V426-L525 HydrophobicContact CG1-CD2 4.49Å; I522-L525 WeakPolarHBondContact O-CB 3.49Å; I522-L525 PolarHBondContact O-N 3.09Å; Q523-L525 VanDerWaalsContact C-N 3.31Å; Q523-L525 PolarHBondContact O-N 3.23Å; L525-K527 VanDerWaalsContact C-N 3.33Å; L525-K527 PolarHBondContact O-N 3.41Å; L525-T528 WeakPolarHBondContact O-CA 3.18Å; L525-T528 WeakPolarHBondContact O-CB 3.33Å; L525-T528 PolarHBondContact O-N 3.31Å; L525-T528 VanDerWaalsContact O-N 3.08Å; L525-L529 HydrophobicContact CD1-CD1 4.33Å; L525-L529 HydrophobicContact CD1-CG 4.32Å; L525-L529 HydrophobicContact CG-CD1 4.02Å; L525-L529 HydrophobicContact CG-CG 4.48Å; L525-L529 VanDerWaalsContact O-CG 3.26Å; L525-L529 WeakPolarHBondContact O-CG 3.27Å; L525-L529 PolarHBondContact O-N 3.04Å; L525-H635 HydrophobicContact CD1-CB 3.93Å
526	V	96.6	Very high	94.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-61	-41.4	178.3	-177.9	0	0	0	0	111.4	L231 L507 M510 L511 I522 Q523 T528 L529 I530	L231-V526 HydrophobicContact CD2-CG2 4.06Å; L507-V526 WeakPolarHBondContact O-CG1 3.15Å; M510-V526 HydrophobicContact CB-CG1 4.44Å; L511-V526 HydrophobicContact CB-CG1 3.82Å; L511-V526 HydrophobicContact CD1-CB 4.35Å; L511-V526 HydrophobicContact CD1-CG1 4.38Å; I522-V526 HydrophobicContact CD1-CG2 4.45Å; I522-V526 WeakPolarHBondContact O-CG2 3.38Å; I522-V526 PolarHBondContact O-N 3.46Å; Q523-V526 PolarHBondContact O-N 3.32Å; V526-T528 VanDerWaalsContact C-N 3.32Å; V526-T528 PolarHBondContact O-N 3.08Å; V526-L529 WeakPolarHBondContact O-CB 3.41Å; V526-L529 PolarHBondContact O-N 3.05Å; V526-I530 HydrophobicContact CG1-CD1 4.26Å; V526-I530 WeakPolarHBondContact O-CG1 3.33Å; V526-I530 PolarHBondContact O-N 2.95Å
527	K	95.7	Very high	93.9	Very high	82 Å²	82	35.8 Å²	35.8	36%	0.357	20%	0.2	S	C	.	.	H	α-helix	trans	-59.8	-41.3	173.1	-73.9	171.8	-178	173.3	0	112.2	L511 Q523 L525 I530 C531	L511-K527 HydrophobicContact CD1-CG 4.15Å; L511-K527 HydrophobicContact CD2-CG 3.9Å; Q523-K527 WeakPolarHBondContact O-CB 3.18Å; Q523-K527 VanDerWaalsContact O-CG 3.28Å; Q523-K527 WeakPolarHBondContact O-CG 3.47Å; Q523-K527 PolarHBondContact O-N 2.72Å; L525-K527 VanDerWaalsContact C-N 3.33Å; L525-K527 PolarHBondContact O-N 3.41Å; K527-I530 PolarHBondContact O-N 2.86Å; K527-C531 PolarHBondContact O-N 3.44Å; K527-C531 VanDerWaalsContact O-N 3.11Å; K527-C531 PolarHBondContact O-SG 3.2Å
528	T	95	Very high	92.8	Very high	40 Å²	40	38.8 Å²	38.8	25%	0.245	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-42.9	175.3	-58.7	0	0	0	0	111.1	P524 L525 V526 I530 C531 E532 H635	P524-T528 WeakPolarHBondContact O-CB 3.41Å; P524-T528 PolarHBondContact O-N 3.01Å; P524-T528 PolarHBondContact O-OG1 3.39Å; L525-T528 WeakPolarHBondContact O-CA 3.18Å; L525-T528 WeakPolarHBondContact O-CB 3.33Å; L525-T528 PolarHBondContact O-N 3.31Å; L525-T528 VanDerWaalsContact O-N 3.08Å; V526-T528 VanDerWaalsContact C-N 3.32Å; V526-T528 PolarHBondContact O-N 3.08Å; T528-I530 PolarHBondContact O-N 3.41Å; T528-C531 PolarHBondContact O-N 2.71Å; T528-E532 WeakPolarHBondContact O-CB 3.41Å; T528-E532 PolarHBondContact O-N 3.25Å; T528-H635 HydrophobicContact CG2-CB 4.43Å
529	L	95.8	Very high	91.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-37.9	177.8	-65.4	164.8	0	0	0	112.2	L424 V426 F502 L507 L525 V526 E532 S533 H635	L424-L529 HydrophobicContact CD1-CD1 3.6Å; L424-L529 HydrophobicContact CD1-CD2 4.03Å; L424-L529 HydrophobicContact CD1-CG 4.29Å; V426-L529 HydrophobicContact CG2-CD1 3.94Å; V426-L529 HydrophobicContact CG2-CD2 4.29Å; F502-L529 HydrophobicContact CD1-CD2 4.34Å; F502-L529 HydrophobicContact CE1-CD2 3.6Å; F502-L529 HydrophobicContact CZ-CD2 4.12Å; L507-L529 HydrophobicContact CD1-CB 3.91Å; L507-L529 HydrophobicContact CD2-CB 4.47Å; L525-L529 HydrophobicContact CD1-CD1 4.33Å; L525-L529 HydrophobicContact CD1-CG 4.32Å; L525-L529 HydrophobicContact CG-CD1 4.02Å; L525-L529 HydrophobicContact CG-CG 4.48Å; L525-L529 VanDerWaalsContact O-CG 3.26Å; L525-L529 WeakPolarHBondContact O-CG 3.27Å; L525-L529 PolarHBondContact O-N 3.04Å; V526-L529 WeakPolarHBondContact O-CB 3.41Å; V526-L529 PolarHBondContact O-N 3.05Å; L529-E532 PolarHBondContact O-N 3.49Å; L529-S533 WeakPolarHBondContact O-CB 3.37Å; L529-S533 PolarHBondContact O-N 2.7Å; L529-H635 HydrophobicContact CD2-CB 4.33Å; L529-H635 WeakPolarHBondContact CD2-ND1 3.43Å
530	I	96.1	Very high	89.5	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-50.5	173.6	-67.2	164.6	0	0	0	110	T504 L507 R508 L511 V526 K527 T528 E532 S533 E534 L541	T504-I530 HydrophobicContact CG2-CG2 4.46Å; L507-I530 HydrophobicContact CB-CD1 4.45Å; L507-I530 HydrophobicContact CB-CG1 3.63Å; L507-I530 HydrophobicContact CD1-CG1 4.43Å; R508-I530 HydrophobicContact CG-CD1 4.07Å; R508-I530 HydrophobicContact CG-CG1 4.42Å; R508-I530 HydrophobicContact CG-CG2 4.45Å; L511-I530 HydrophobicContact CB-CD1 4.24Å; L511-I530 HydrophobicContact CD2-CD1 3.97Å; V526-I530 HydrophobicContact CG1-CD1 4.26Å; V526-I530 WeakPolarHBondContact O-CG1 3.33Å; V526-I530 PolarHBondContact O-N 2.95Å; K527-I530 PolarHBondContact O-N 2.86Å; T528-I530 PolarHBondContact O-N 3.41Å; I530-E532 VanDerWaalsContact C-N 3.26Å; I530-E532 PolarHBondContact O-N 3.27Å; I530-S533 PolarHBondContact O-N 3.47Å; I530-S533 VanDerWaalsContact O-N 3.16Å; I530-S533 PolarHBondContact O-OG 3.05Å; I530-E534 PolarHBondContact O-N 3.26Å; I530-E534 VanDerWaalsContact O-N 3.12Å; I530-L541 HydrophobicContact CG2-CD1 3.83Å
531	C	94.5	Very high	87.5	Confident	6 Å²	6	43 Å²	43	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-38.7	176.8	-63.4	0	0	0	0	111.8	K527 T528 C535 T536 S632	K527-C531 PolarHBondContact O-N 3.44Å; K527-C531 VanDerWaalsContact O-N 3.11Å; K527-C531 PolarHBondContact O-SG 3.2Å; T528-C531 PolarHBondContact O-N 2.71Å; C531-C535 CarbonylContact O-C 3.57Å; C531-C535 VanDerWaalsContact O-CA 3.3Å; C531-C535 WeakPolarHBondContact O-CA 3.41Å; C531-C535 PolarHBondContact O-N 3.38Å; C531-T536 WeakPolarHBondContact CB-O 3.34Å; C531-T536 PolarHBondContact O-N 3.31Å; C531-S632 WeakPolarHBondContact O-CB 3.45Å
532	E	94.5	Very high	85.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.7	-38.6	177.3	-171.3	168.8	-172.9	0	0	112.4	F502 T528 L529 I530 E534 C535 H597 T634 H635 R642	F502-E532 HydrophobicContact CE2-CB 4.44Å; F502-E532 HydrophobicContact CE2-CG 3.8Å; F502-E532 HydrophobicContact CZ-CG 4.29Å; T528-E532 WeakPolarHBondContact O-CB 3.41Å; T528-E532 PolarHBondContact O-N 3.25Å; L529-E532 PolarHBondContact O-N 3.49Å; I530-E532 VanDerWaalsContact C-N 3.26Å; I530-E532 PolarHBondContact O-N 3.27Å; E532-E534 VanDerWaalsContact C-N 3.35Å; E532-C535 PolarHBondContact O-N 3.09Å; E532-H597 VanDerWaalsContact O-CB 3.23Å; E532-H597 WeakPolarHBondContact O-CB 3.4Å; E532-T634 VanDerWaalsContact OE1-CB 3.3Å; E532-T634 WeakPolarHBondContact OE1-CB 3.32Å; E532-T634 PolarHBondContact OE1-OG1 2.82Å; E532-H635 IonicContact OE1-ND1 3.63Å; E532-H635 IonicContact OE2-CE1 2.69Å; E532-H635 IonicContact OE2-CG 2.74Å; E532-H635 PolarHBondContact OE2-N 2.93Å; E532-H635 IonicContact OE2-ND1 3.39Å; E532-H635 PolarHBondContact OE2-ND1 3.43Å; E532-R642 IonicContact OE1-CZ 3.82Å; E532-R642 IonicContact OE1-NE 2.77Å; E532-R642 PolarHBondContact OE1-NE 3.41Å; E532-R642 IonicContact OE1-NH2 2.87Å; E532-R642 PolarHBondContact OE1-NH2 3.24Å
533	S	94.1	Very high	82.2	Confident	4 Å²	4	49.4 Å²	49.4	3%	0.028	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-36.5	177.4	75.3	0	0	0	0	112.9	F502 T504 L529 I530	F502-S533 VanDerWaalsContact CB-CB 3.49Å; T504-S533 WeakPolarHBondContact OG1-CB 3.4Å; T504-S533 PolarHBondContact OG1-OG 3.38Å; L529-S533 WeakPolarHBondContact O-CB 3.37Å; L529-S533 PolarHBondContact O-N 2.7Å; I530-S533 PolarHBondContact O-N 3.47Å; I530-S533 VanDerWaalsContact O-N 3.16Å; I530-S533 PolarHBondContact O-OG 3.05Å
534	E	92.6	Very high	79.3	Confident	54 Å²	54	51.4 Å²	51.4	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-89.8	-9.8	177.8	-63.8	178.1	156.4	0	0	112	T504 R508 I530 E532 T536 R630	T504-E534 HydrophobicContact CG2-CG 3.68Å; T504-E534 VanDerWaalsContact CG2-OE1 3.22Å; T504-E534 WeakPolarHBondContact CG2-OE1 3.45Å; R508-E534 IonicContact CZ-OE1 3.21Å; R508-E534 IonicContact NE-OE1 3.99Å; R508-E534 IonicContact NH2-OE1 3.1Å; R508-E534 PolarHBondContact NH2-OE1 3.29Å; R508-E534 IonicContact NH2-OE2 3.25Å; R508-E534 PolarHBondContact NH2-OE2 2.98Å; I530-E534 PolarHBondContact O-N 3.26Å; I530-E534 VanDerWaalsContact O-N 3.12Å; E532-E534 VanDerWaalsContact C-N 3.35Å; E534-T536 VanDerWaalsContact C-N 3.32Å; E534-T536 HydrophobicContact CB-CG2 3.88Å; E534-R630 PolarHBondContact O-NE 2.93Å; E534-R630 PolarHBondContact O-NH2 3.46Å
535	C	92.3	Very high	76.3	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.007	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	51	-169.2	-161.1	0	0	0	0	112.2	C531 E532 P598 R630 V631 R642	C531-C535 CarbonylContact O-C 3.57Å; C531-C535 VanDerWaalsContact O-CA 3.3Å; C531-C535 WeakPolarHBondContact O-CA 3.41Å; C531-C535 PolarHBondContact O-N 3.38Å; E532-C535 PolarHBondContact O-N 3.09Å; C535-P598 HydrophobicContact CB-CG 4.5Å; C535-R630 HydrophobicContact CB-CB 4.17Å; C535-V631 CarbonylContact C-O 3.55Å; C535-V631 CarbonylContact O-C 3.19Å; C535-V631 PolarHBondContact O-N 3.03Å; C535-V631 VanDerWaalsContact O-N 3.13Å; C535-R642 PolarHBondContact SG-O 3.2Å
536	T	90.4	Very high	73.1	Confident	38 Å²	38	55.5 Å²	55.5	23%	0.233	32%	0.324	C	S	.	.			trans	-121.2	161.6	-179.6	56.5	0	0	0	0	111.7	C531 E534 V631 S632	C531-T536 WeakPolarHBondContact CB-O 3.34Å; C531-T536 PolarHBondContact O-N 3.31Å; E534-T536 VanDerWaalsContact C-N 3.32Å; E534-T536 HydrophobicContact CB-CG2 3.88Å; T536-V631 CarbonylContact C-O 3.51Å; T536-V631 WeakPolarHBondContact CA-O 3.3Å; T536-S632 WeakPolarHBondContact O-CB 3.48Å
537	T	83.8	Confident	70	Confident	42 Å²	42	61.2 Å²	61.2	26%	0.258	36%	0.359	S	S	.	.			trans	-86.2	149.9	173.6	66.3	0	0	0	0	110.8	K539 S540 V631	T537-K539 PolarHBondContact O-N 2.97Å; T537-K539 VanDerWaalsContact O-N 3.14Å; T537-S540 VanDerWaalsContact O-CB 3.27Å; T537-S540 WeakPolarHBondContact O-CB 3.11Å; T537-S540 PolarHBondContact O-N 3.24Å; T537-V631 PolarHBondContact N-O 3.33Å
538	L	70.7	Confident	66.8	Low	100 Å²	100	65.1 Å²	65.1	52%	0.524	38%	0.383	S	S	.	.	H	α-helix	trans	-60.1	-29.6	-175.9	-159.6	144.8	0	0	0	113.3	S540 L541	L538-S540 VanDerWaalsContact C-N 3.29Å; L538-S540 PolarHBondContact O-N 3.47Å; L538-L541 WeakPolarHBondContact O-CB 3.36Å; L538-L541 PolarHBondContact O-N 2.92Å
539	K	61.8	Low	63.4	Low	166 Å²	166	67.8 Å²	67.8	72%	0.722	40%	0.403	S	S	*	.	H	α-helix	trans	-64.4	-32.9	174.4	-68.4	-174.7	178	-175.5	0	112.4	T537 L541 V542 H543	T537-K539 PolarHBondContact O-N 2.97Å; T537-K539 VanDerWaalsContact O-N 3.14Å; K539-L541 VanDerWaalsContact C-N 3.3Å; K539-L541 PolarHBondContact O-N 3.49Å; K539-V542 PolarHBondContact O-N 2.88Å; K539-H543 PolarHBondContact O-N 2.81Å; K539-H543 PolarHBondContact O-ND1 3.45Å
540	S	57.9	Low	60	Low	67 Å²	67	74.5 Å²	74.5	47%	0.469	44%	0.439	S	S	.	.	H	α-helix	trans	-69.3	-27.8	178.2	-165.9	0	0	0	0	112.6	T537 L538 V542 H543	T537-S540 VanDerWaalsContact O-CB 3.27Å; T537-S540 WeakPolarHBondContact O-CB 3.11Å; T537-S540 PolarHBondContact O-N 3.24Å; L538-S540 VanDerWaalsContact C-N 3.29Å; L538-S540 PolarHBondContact O-N 3.47Å; S540-V542 VanDerWaalsContact C-N 3.29Å; S540-V542 PolarHBondContact O-N 3.2Å; S540-H543 PolarHBondContact O-N 3.29Å
541	L	51.8	Low	56.5	Low	54 Å²	54	83.7 Å²	83.7	28%	0.283	48%	0.482	S	S	.	.	H	α-helix	trans	-68.5	-30.7	179.1	-154.3	92	0	0	0	112.1	I530 L538 K539	I530-L541 HydrophobicContact CG2-CD1 3.83Å; L538-L541 WeakPolarHBondContact O-CB 3.36Å; L538-L541 PolarHBondContact O-N 2.92Å; K539-L541 VanDerWaalsContact C-N 3.3Å; K539-L541 PolarHBondContact O-N 3.49Å
542	V	41.3	Very low	53.2	Low	96 Å²	96	89 Å²	89	58%	0.582	51%	0.514	S	S	*	.	H	α-helix	trans	-78.8	-33.2	178.6	-174.9	0	0	0	0	111.2	K539 S540 G544 S545	K539-V542 PolarHBondContact O-N 2.88Å; S540-V542 VanDerWaalsContact C-N 3.29Å; S540-V542 PolarHBondContact O-N 3.2Å; V542-G544 PolarHBondContact O-N 3.26Å; V542-S545 PolarHBondContact O-N 3.41Å
543	H	35.7	Very low	50	Low	139 Å²	139	97.8 Å²	97.8	64%	0.644	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-0	179.2	-69.9	74.2	0	0	0	113.9	K539 S540 S545	K539-H543 PolarHBondContact O-N 2.81Å; K539-H543 PolarHBondContact O-ND1 3.45Å; S540-H543 PolarHBondContact O-N 3.29Å; H543-S545 VanDerWaalsContact C-N 3.29Å
544	G	34.6	Very low	47	Very low	71 Å²	71	104 Å²	104	73%	0.732	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-2.1	170.5	0	0	0	0	0	114.6	V542	V542-G544 PolarHBondContact O-N 3.26Å
545	S	32.6	Very low	43.7	Very low	101 Å²	101	105.2 Å²	105.2	71%	0.706	62%	0.623	S	S	*	*	S	Bend	trans	-152.6	109.3	166.9	-167.6	0	0	0	0	109.3	V542 H543	V542-S545 PolarHBondContact O-N 3.41Å; H543-S545 VanDerWaalsContact C-N 3.29Å
546	S	27.4	Very low	40.4	Very low	102 Å²	102	111.7 Å²	111.7	71%	0.713	66%	0.663	S	S	*	*			trans	63	122.6	173.2	-164.7	0	0	0	0	118.4
547	V	30.8	Very low	37.2	Very low	121 Å²	121	116.4 Å²	116.4	73%	0.733	69%	0.691	S	S	*	*			trans	-45.8	131.6	160.8	175.9	0	0	0	0	111
548	L	29	Very low	34.7	Very low	163 Å²	163	120.9 Å²	120.9	85%	0.853	71%	0.712	S	S	*	*			trans	-174	143.6	137	-95.4	169.5	0	0	0	110.7
549	S	22.9	Very low	32.3	Very low	97 Å²	97	126.1 Å²	126.1	68%	0.678	73%	0.731	S	S	*	*			trans	-90.6	150.3	-163.8	-167	0	0	0	0	113.7
550	N	24.4	Very low	30.4	Very low	141 Å²	141	123.8 Å²	123.8	75%	0.754	73%	0.731	S	S	*	*			trans	47.2	116.5	155.4	-64.1	-22.2	0	0	0	121.1
551	Q	23.8	Very low	28.7	Very low	195 Å²	195	127.8 Å²	127.8	91%	0.911	75%	0.746	S	S	*	*				174.6	177.2	110.1	-91.9	-174.5	37.8	0	0	112.4
552	V	25	Very low	27.3	Very low	117 Å²	117	133.6 Å²	133.6	71%	0.709	77%	0.772	S	S	*	*			trans	-100.8	149.2	-145.4	176.1	0	0	0	0	113.8
553	E	26.5	Very low	26.6	Very low	185 Å²	185	134.3 Å²	134.3	86%	0.864	78%	0.781	S	S	*	*			trans	58.2	150.5	154.7	-80.2	174.1	153.3	0	0	125
554	C	31.8	Very low	26	Very low	135 Å²	135	131.6 Å²	131.6	91%	0.912	79%	0.79	S	S	*	*			trans	-39.6	132.6	171.5	-66.1	0	0	0	0	116.2
555	G	23.6	Very low	25.6	Very low	78 Å²	78	137.3 Å²	137.3	80%	0.804	80%	0.798	S	S	*	*			trans	167.7	120.5	161	0	0	0	0	0	112.6
556	V	23.5	Very low	25.3	Very low	137 Å²	137	140.6 Å²	140.6	83%	0.83	81%	0.807	S	S	*	*			trans	-71.8	134	177.5	173.6	0	0	0	0	111.1
557	V	21.6	Very low	25.1	Very low	137 Å²	137	139.2 Å²	139.2	83%	0.83	81%	0.81	S	S	*	*			trans	-156.5	130.6	135.2	178	0	0	0	0	109.5
558	I	31.5	Very low	24.8	Very low	137 Å²	137	137 Å²	137	70%	0.703	81%	0.811	S	S	*	*			trans	-83.7	136.7	171.7	-61.6	165.5	0	0	0	109.7
559	K	20.7	Very low	25.1	Very low	209 Å²	209	135.4 Å²	135.4	91%	0.909	81%	0.81	S	S	*	*			trans	-148	134.1	140.2	-79.7	-161.9	178.7	173.2	0	111.6
560	T	22.1	Very low	25.2	Very low	118 Å²	118	135 Å²	135	72%	0.724	81%	0.813	S	S	*	*			trans	-95	161.1	-177.4	-29.7	0	0	0	0	111.8
561	L	22.4	Very low	25.3	Very low	151 Å²	151	135.1 Å²	135.1	79%	0.791	81%	0.814	S	S	*	*			trans	91.4	118.9	153.8	-68.9	157.7	0	0	0	119.5
562	Q	22.6	Very low	25.4	Very low	176 Å²	176	133.9 Å²	133.9	82%	0.822	81%	0.808	S	S	*	*				179.9	114.4	99.9	-88.7	176	5.4	0	0	107.9
563	S	25.5	Very low	25.4	Very low	111 Å²	111	133.1 Å²	133.1	78%	0.776	81%	0.814	S	S	*	*				48.7	113.6	91.6	67.2	0	0	0	0	114.6
564	G	24.4	Very low	25.3	Very low	81 Å²	81	127.7 Å²	127.7	84%	0.835	81%	0.807	S	S	*	*			trans	-172.9	94.9	169.3	0	0	0	0	0	110.1
565	E	25.6	Very low	24.9	Very low	191 Å²	191	131.2 Å²	131.2	89%	0.893	81%	0.807	S	S	*	*			trans	-68.8	143.9	170.2	-65	166.8	125.2	0	0	111
566	D	25.5	Very low	25.1	Very low	170 Å²	170	139.1 Å²	139.1	91%	0.909	81%	0.813	S	S	*	*			trans	172.5	134.1	139.7	-102.5	-19.7	0	0	0	106.5
567	G	23.8	Very low	25.2	Very low	74 Å²	74	142.9 Å²	142.9	76%	0.763	82%	0.818	S	S	*	*			cis	134.9	103.9	18.6	0	0	0	0	0	107.8
568	G	24.6	Very low	25.2	Very low	74 Å²	74	142.3 Å²	142.3	76%	0.763	82%	0.82	S	S	*	*			trans	97.5	162.5	156.6	0	0	0	0	0	119.5
569	P	35.5	Very low	24.7	Very low	129 Å²	129	138.6 Å²	138.6	84%	0.838	82%	0.815	S	S	*	*				-136.6	-172.2	-115.9	39.6	-22	0	0	0	115.9
570	A	25.3	Very low	24.8	Very low	88 Å²	88	138.2 Å²	138.2	73%	0.727	82%	0.817	S	S	*	*			trans	76	144.3	163.8	0	0	0	0	0	115.5
571	D	25.2	Very low	24.9	Very low	145 Å²	145	139.7 Å²	139.7	78%	0.775	82%	0.82	S	S	*	*			cis	-163.4	175.9	36	-132.7	-22.6	0	0	0	113.5
572	Q	27.3	Very low	24.9	Very low	169 Å²	169	138.7 Å²	138.7	79%	0.79	83%	0.825	S	S	*	*			trans	-77.3	159.5	-160.6	-58.9	170.8	30.2	0	0	118.5
573	A	25.1	Very low	25.1	Very low	101 Å²	101	133.3 Å²	133.3	84%	0.835	82%	0.816	S	S	*	*			trans	66.3	135.3	132.2	0	0	0	0	0	122.4
574	G	23.4	Very low	25	Very low	70 Å²	70	135.5 Å²	135.5	72%	0.722	82%	0.819	S	S	*	*			trans	140.9	95	132.8	0	0	0	0	0	119.3
575	K	24.1	Very low	25.1	Very low	209 Å²	209	138.2 Å²	138.2	91%	0.909	82%	0.819	S	S	*	*			trans	62.4	120.2	135.4	-76	176.7	176.3	172.7	0	122.3
576	R	28	Very low	25.2	Very low	245 Å²	245	135.1 Å²	135.1	93%	0.925	81%	0.813	S	S	*	*			trans	-21.4	142	148.7	-62.8	172.5	178.9	166.2	-0.7	117.5
577	K	24.6	Very low	25.3	Very low	216 Å²	216	135.6 Å²	135.6	94%	0.939	81%	0.807	S	S	*	*			trans	-151.8	139.1	135.8	-131.8	178.3	-178	-177	0	111.3
578	S	22.4	Very low	25.4	Very low	125 Å²	125	141.6 Å²	141.6	87%	0.874	81%	0.812	S	S	*	*			trans	-105.5	151	178	152.4	0	0	0	0	109
579	G	21.4	Very low	25.7	Very low	59 Å²	59	145.6 Å²	145.6	61%	0.608	82%	0.815	S	S	*	*			trans	150.9	103.8	159.9	0	0	0	0	0	115.1
580	E	22.8	Very low	25.1	Very low	201 Å²	201	147.5 Å²	147.5	94%	0.939	81%	0.81	S	S	*	*			trans	52.9	157	144.2	-66.3	166.5	138.6	0	0	121.3
581	D	23.9	Very low	25.3	Very low	148 Å²	148	149.2 Å²	149.2	79%	0.791	81%	0.814	S	S	*	*			cis	-166.2	132.4	-37.7	178.8	23.7	0	0	0	101.8
582	C	22.9	Very low	25.3	Very low	131 Å²	131	149 Å²	149	89%	0.885	81%	0.813	S	S	*	*			trans	-165.1	112.7	154.9	-137.5	0	0	0	0	110.3
583	G	25.4	Very low	25.7	Very low	62 Å²	62	145.1 Å²	145.1	64%	0.639	81%	0.81	S	S	*	*			trans	-59.3	142.3	-174.6	0	0	0	0	0	115
584	N	24.1	Very low	26.8	Very low	157 Å²	157	144 Å²	144	84%	0.84	80%	0.796	S	S	*	*			trans	-130.3	119.4	145.3	-102.9	-29.5	0	0	0	108.3	V586	N584-V586 VanDerWaalsContact C-N 3.32Å; N584-V586 PolarHBondContact O-N 2.99Å
585	V	27.2	Very low	28.5	Very low	138 Å²	138	148.3 Å²	148.3	84%	0.836	80%	0.801	S	S	*	*			trans	-60.6	91.5	176.6	177.1	0	0	0	0	108.4	K587	V585-K587 PolarHBondContact O-N 3.43Å; V585-K587 VanDerWaalsContact O-N 3.1Å
586	V	26.9	Very low	31.2	Very low	127 Å²	127	141.9 Å²	141.9	77%	0.77	78%	0.777	S	S	*	*			trans	-72	104.1	165.6	178.8	0	0	0	0	106.2	N584 K588	N584-V586 VanDerWaalsContact C-N 3.32Å; N584-V586 PolarHBondContact O-N 2.99Å; V586-K588 PolarHBondContact O-N 2.91Å
587	K	27.1	Very low	33.9	Very low	179 Å²	179	130.8 Å²	130.8	78%	0.778	74%	0.736	S	S	*	*			trans	-47.2	108.2	163.6	-75	178.1	178	175.1	0	107.4	V585 L589	V585-K587 PolarHBondContact O-N 3.43Å; V585-K587 VanDerWaalsContact O-N 3.1Å; K587-L589 PolarHBondContact O-N 3Å
588	K	27.1	Very low	37.1	Very low	201 Å²	201	121.5 Å²	121.5	87%	0.874	70%	0.697	S	S	*	*			trans	-65.3	80.8	178.1	-159.3	176.8	-174.3	178.7	0	108.3	V586 K590	V586-K588 PolarHBondContact O-N 2.91Å; K588-K590 PolarHBondContact O-N 2.8Å
589	L	29.4	Very low	40.4	Very low	158 Å²	158	117.7 Å²	117.7	83%	0.827	67%	0.674	S	S	*	*			trans	-66.8	111.6	164.6	-90	152.5	0	0	0	106.5	K587 P591	K587-L589 PolarHBondContact O-N 3Å; L589-P591 WeakPolarHBondContact O-CD 3.42Å
590	K	22.9	Very low	43.9	Very low	168 Å²	168	115.1 Å²	115.1	73%	0.73	65%	0.646	S	S	*	*			trans	-49	122.4	178.4	-70.6	179.1	173.7	-177.2	0	110.7	K588 D592	K588-K590 PolarHBondContact O-N 2.8Å; K590-D592 HydrophobicContact CB-CB 4.49Å; K590-D592 PolarHBondContact O-N 2.76Å; K590-D592 VanDerWaalsContact O-N 3.11Å
591	P	29.2	Very low	47.3	Very low	125 Å²	125	105.9 Å²	105.9	81%	0.812	60%	0.602	S	S	*	*			trans	-84.2	75.3	165.1	33.9	-27.5	0	0	0	107.9	L589	L589-P591 WeakPolarHBondContact O-CD 3.42Å
592	D	25.9	Very low	50.6	Low	139 Å²	139	99.9 Å²	99.9	74%	0.743	57%	0.569	S	S	*	*			trans	-107.2	14.3	175.4	-103.9	-24.6	0	0	0	112.3	K590 S594	K590-D592 HydrophobicContact CB-CB 4.49Å; K590-D592 PolarHBondContact O-N 2.76Å; K590-D592 VanDerWaalsContact O-N 3.11Å; D592-S594 PolarHBondContact O-N 3.49Å
593	A	35	Very low	53.8	Low	88 Å²	88	93.9 Å²	93.9	73%	0.727	53%	0.528	S	S	*	.	S	Bend	trans	-86.9	104	167.1	0	0	0	0	0	107.7	L595	A593-L595 PolarHBondContact O-N 3.38Å
594	S	48.9	Very low	56.8	Low	78 Å²	78	91.2 Å²	91.2	55%	0.545	50%	0.499	S	S	.	.			trans	-55.1	131.6	173.4	74.1	0	0	0	0	108.7	D592 D596	D592-S594 PolarHBondContact O-N 3.49Å; S594-D596 VanDerWaalsContact CB-OD2 3.29Å; S594-D596 WeakPolarHBondContact CB-OD2 3.48Å; S594-D596 PolarHBondContact O-N 2.98Å; S594-D596 PolarHBondContact OG-OD2 3.38Å
595	L	60.1	Low	59.6	Low	160 Å²	160	89.4 Å²	89.4	84%	0.838	49%	0.486	S	S	*	.	S	Bend	trans	-64.9	2.1	-179.3	-69.1	168.4	0	0	0	112.9	A593 R630	A593-L595 PolarHBondContact O-N 3.38Å; L595-R630 PolarHBondContact O-NH2 3.18Å
596	D	79.1	Confident	62.3	Low	74 Å²	74	88.1 Å²	88.1	40%	0.396	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-62.7	151	-178.1	-56.5	-40.3	0	0	0	111.5	P500 S594 R630	P500-D596 HydrophobicContact CG-CB 4.1Å; P500-D596 VanDerWaalsContact CG-CG 3.49Å; P500-D596 VanDerWaalsContact CG-OD1 3.26Å; P500-D596 WeakPolarHBondContact CG-OD1 3.42Å; S594-D596 VanDerWaalsContact CB-OD2 3.29Å; S594-D596 WeakPolarHBondContact CB-OD2 3.48Å; S594-D596 PolarHBondContact O-N 2.98Å; S594-D596 PolarHBondContact OG-OD2 3.38Å; D596-R630 PolarHBondContact O-NH1 2.76Å; D596-R630 PolarHBondContact O-NH2 2.7Å
597	H	86.1	Confident	65	Low	12 Å²	12	82.9 Å²	82.9	6%	0.056	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-69	145.7	172.9	67.1	86.6	0	0	0	110.7	L501 F502 E532 R642	L501-H597 PolarHBondContact N-NE2 3.35Å; F502-H597 AromaticContact CD2-CD2 3.6Å; F502-H597 AromaticContact CD2-NE2 3.47Å; F502-H597 WeakPolarHBondContact CD2-NE2 3.31Å; F502-H597 AromaticContact CE2-NE2 3.9Å; E532-H597 VanDerWaalsContact O-CB 3.23Å; E532-H597 WeakPolarHBondContact O-CB 3.4Å; H597-R642 PolarHBondContact ND1-NH1 3.02Å; H597-R642 VanDerWaalsContact ND1-NH1 3.19Å
598	P	91.3	Very high	67.4	Low	21 Å²	21	76.9 Å²	76.9	14%	0.136	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-55.4	148.5	173.5	-25.2	34.5	0	0	0	111.7	C535 R642 T643 D644	C535-P598 HydrophobicContact CB-CG 4.5Å; P598-R642 HydrophobicContact CB-CG 4.28Å; P598-R642 HydrophobicContact CG-CG 4.48Å; P598-R642 WeakPolarHBondContact O-CD 3.32Å; P598-R642 PolarHBondContact O-NH1 3.14Å; P598-T643 WeakPolarHBondContact CB-O 3.23Å; P598-T643 VanDerWaalsContact CG-C 3.44Å; P598-T643 WeakPolarHBondContact CG-O 3.33Å; P598-D644 HydrophobicContact CG-CB 3.93Å
599	A	91.3	Very high	69.8	Low	45 Å²	45	69.9 Å²	69.9	37%	0.372	39%	0.385	S	S	.	.	S	Bend	trans	-76.9	136.5	176.9	0	0	0	0	0	111.7	F466	F466-A599 HydrophobicContact CD2-CB 4.33Å; F466-A599 HydrophobicContact CE2-CB 3.78Å
600	F	94.8	Very high	71.9	Confident	5 Å²	5	73.5 Å²	73.5	2%	0.022	39%	0.388	C	S	.	.	S	Bend	trans	61	179.6	-177.7	-55.3	-75.7	0	0	0	114.4	Y396 E399 L400 R403 L455 R464 F466 L496 R642	Y396-F600 AromaticContact CD2-CD1 3.22Å; Y396-F600 HydrophobicContact CD2-CD1 3.22Å; Y396-F600 AromaticContact CD2-CE1 3.42Å; Y396-F600 HydrophobicContact CD2-CE1 3.42Å; Y396-F600 VanDerWaalsContact CD2-CE1 3.42Å; Y396-F600 AromaticContact CD2-CG 4Å; Y396-F600 HydrophobicContact CD2-CG 4Å; Y396-F600 HydrophobicContact CD2-CZ 4.34Å; Y396-F600 AromaticContact CE2-CD1 3.79Å; Y396-F600 HydrophobicContact CE2-CD1 3.79Å; Y396-F600 AromaticContact CE2-CE1 3.67Å; Y396-F600 HydrophobicContact CE2-CE1 3.67Å; Y396-F600 HydrophobicContact CE2-CG 4.35Å; Y396-F600 HydrophobicContact CE2-CZ 4.16Å; Y396-F600 AromaticContact CG-CD1 3.88Å; Y396-F600 HydrophobicContact CG-CD1 3.88Å; Y396-F600 HydrophobicContact CG-CE1 4.49Å; Y396-F600 HydrophobicContact CG-CG 4.43Å; E399-F600 HydrophobicContact CB-CD1 4.06Å; E399-F600 HydrophobicContact CB-CE1 4.4Å; E399-F600 VanDerWaalsContact CD-CA 3.43Å; E399-F600 HydrophobicContact CG-CD1 3.85Å; E399-F600 HydrophobicContact CG-CE1 4.09Å; E399-F600 VanDerWaalsContact OE1-CA 3.3Å; E399-F600 WeakPolarHBondContact OE1-CA 3.3Å; E399-F600 PolarHBondContact OE1-N 3.4Å; E399-F600 WeakPolarHBondContact OE2-CA 3.2Å; L400-F600 HydrophobicContact CB-CE1 4.45Å; L400-F600 HydrophobicContact CD1-CE1 4.48Å; R403-F600 VanDerWaalsContact CD-CZ 3.5Å; L455-F600 HydrophobicContact CD1-CE2 3.81Å; L455-F600 HydrophobicContact CD2-CE2 3.69Å; L455-F600 HydrophobicContact CD2-CZ 3.65Å; L455-F600 HydrophobicContact CG-CE2 4.42Å; R464-F600 VanDerWaalsContact NE-CB 3.25Å; R464-F600 VanDerWaalsContact NH2-CB 3.27Å; F466-F600 HydrophobicContact CE1-CE2 4.46Å; F466-F600 AromaticContact CE2-CE2 3.83Å; F466-F600 HydrophobicContact CE2-CE2 3.83Å; F466-F600 AromaticContact CZ-CE2 3.63Å; F466-F600 HydrophobicContact CZ-CE2 3.63Å; F466-F600 HydrophobicContact CZ-CZ 4.04Å; L496-F600 HydrophobicContact CD1-CZ 4.41Å; F600-R642 PolarHBondContact O-NH1 3.08Å
601	Y	94.7	Very high	74.4	Confident	7 Å²	7	76.1 Å²	76.1	3%	0.027	39%	0.393	C	S	.	.			trans	-136.7	162.1	179.1	63.1	-92.1	0	0	0	110.3	E395 Y396 E399 R464 T634 F636 D637 V641	E395-Y601 PolarHBondContact O-OH 2.91Å; E395-Y601 VanDerWaalsContact O-OH 3.06Å; Y396-Y601 WeakPolarHBondContact CA-OH 3.17Å; E399-Y601 HydrophobicContact CB-CD1 4.48Å; E399-Y601 HydrophobicContact CB-CE1 4.19Å; R464-Y601 PolarHBondContact NH2-O 3Å; Y601-T634 HydrophobicContact CD1-CG2 3.95Å; Y601-T634 HydrophobicContact CD2-CG2 3.97Å; Y601-T634 HydrophobicContact CG-CG2 3.65Å; Y601-F636 HydrophobicContact CD1-CB 4.06Å; Y601-F636 HydrophobicContact CD1-CD2 4.22Å; Y601-F636 HydrophobicContact CE1-CB 3.37Å; Y601-F636 HydrophobicContact CE1-CD2 4.16Å; Y601-F636 HydrophobicContact CE1-CG 4.05Å; Y601-D637 HydrophobicContact CD2-CB 4.14Å; Y601-D637 HydrophobicContact CE2-CB 3.33Å; Y601-V641 CarbonylContact C-O 3.4Å; Y601-V641 WeakPolarHBondContact CA-O 3.38Å; Y601-V641 WeakPolarHBondContact CB-O 3.43Å
602	Y	94	Very high	76.7	Confident	22 Å²	22	73 Å²	73	9%	0.086	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.4	173.4	-62.1	-63	0	0	0	110	H607 G640 V641 T643 L647 F650	Y602-H607 AromaticContact CD1-NE2 3.75Å; Y602-G640 CarbonylContact O-C 3.49Å; Y602-G640 WeakPolarHBondContact O-CA 3.15Å; Y602-V641 PolarHBondContact N-O 3.39Å; Y602-V641 PolarHBondContact O-N 3.5Å; Y602-T643 HydrophobicContact CD2-CG2 4.01Å; Y602-T643 HydrophobicContact CE2-CG2 4.22Å; Y602-L647 HydrophobicContact CD1-CD1 3.75Å; Y602-L647 HydrophobicContact CE1-CB 4.13Å; Y602-L647 HydrophobicContact CE1-CD1 3.62Å; Y602-L647 HydrophobicContact CE1-CG 4.4Å; Y602-L647 HydrophobicContact CG-CD1 4.5Å; Y602-L647 PolarHBondContact OH-N 3.35Å; Y602-F650 HydrophobicContact CD2-CB 4.39Å; Y602-F650 AromaticContact CD2-CD2 3.84Å; Y602-F650 HydrophobicContact CD2-CD2 3.84Å; Y602-F650 HydrophobicContact CD2-CE2 4.21Å; Y602-F650 HydrophobicContact CD2-CG 4.04Å; Y602-F650 HydrophobicContact CG-CD2 4.36Å; Y602-F650 HydrophobicContact CG-CE2 4.42Å; Y602-F650 HydrophobicContact CG-CG 4.38Å
603	S	90.1	Very high	79.4	Confident	6 Å²	6	70.6 Å²	70.6	4%	0.042	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.1	169.9	178.4	0	0	0	0	109.3	H605 R606 H607 T639	S603-H605 VanDerWaalsContact C-N 3.3Å; S603-H605 PolarHBondContact O-N 2.86Å; S603-R606 PolarHBondContact O-N 2.91Å; S603-H607 PolarHBondContact O-CD2 2.89Å; S603-H607 PolarHBondContact O-N 2.85Å; S603-T639 PolarHBondContact OG-OG1 2.84Å
604	I	86.7	Confident	81.7	Confident	6 Å²	6	68.8 Å²	68.8	3%	0.031	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-40	178.9	-52.2	179.9	0	0	0	110.1	R606 H607 S608 M614 L617 F620 T639 V641 F650 L654	I604-R606 VanDerWaalsContact C-N 3.33Å; I604-R606 PolarHBondContact O-N 3.32Å; I604-H607 CarbonylContact O-C 3.53Å; I604-H607 PolarHBondContact O-N 2.84Å; I604-S608 PolarHBondContact O-N 3.44Å; I604-M614 HydrophobicContact CB-CE 4.11Å; I604-M614 HydrophobicContact CG2-CE 3.44Å; I604-M614 VanDerWaalsContact CG2-CE 3.44Å; I604-M614 HydrophobicContact CG2-SD 3.53Å; I604-M614 VanDerWaalsContact CG2-SD 3.53Å; I604-L617 HydrophobicContact CD1-CB 4.38Å; I604-L617 HydrophobicContact CD1-CD1 3.34Å; I604-L617 HydrophobicContact CD1-CG 4.44Å; I604-L617 HydrophobicContact CG1-CD1 4.42Å; I604-F620 HydrophobicContact CD1-CB 4.44Å; I604-F620 HydrophobicContact CD1-CD1 3.52Å; I604-F620 HydrophobicContact CD1-CE1 4.17Å; I604-F620 HydrophobicContact CD1-CG 4.29Å; I604-F620 HydrophobicContact CG1-CD1 4.07Å; I604-F620 HydrophobicContact CG1-CE1 4.22Å; I604-T639 PolarHBondContact N-O 3.39Å; I604-V641 HydrophobicContact CD1-CG2 3.81Å; I604-V641 HydrophobicContact CG1-CG2 3.8Å; I604-F650 HydrophobicContact CG1-CZ 4.29Å; I604-L654 HydrophobicContact CG2-CD1 3.81Å; I604-L654 HydrophobicContact CG2-CD2 4.21Å
605	H	83.7	Confident	83.4	Confident	118 Å²	118	66 Å²	66	55%	0.546	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-38.9	-179.4	-73.9	-75.7	0	0	0	112.6	S603 H607 S608	S603-H605 VanDerWaalsContact C-N 3.3Å; S603-H605 PolarHBondContact O-N 2.86Å; H605-H607 VanDerWaalsContact C-N 3.31Å; H605-H607 PolarHBondContact O-N 3.27Å; H605-S608 VanDerWaalsContact O-CB 3.26Å; H605-S608 WeakPolarHBondContact O-CB 3.35Å; H605-S608 PolarHBondContact O-N 3.24Å; H605-S608 PolarHBondContact O-OG 3.48Å
606	R	84.4	Confident	84.7	Confident	112 Å²	112	66.4 Å²	66.4	42%	0.423	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-39	177.6	-179.6	62.6	169.2	144.5	4	112.6	E395 E462 S603 I604 S608	E395-R606 HydrophobicContact CG-CB 4.24Å; E395-R606 HydrophobicContact CG-CG 3.84Å; E462-R606 IonicContact OE1-CZ 3.84Å; E462-R606 IonicContact OE1-NE 3.66Å; E462-R606 PolarHBondContact OE1-NE 3.3Å; E462-R606 IonicContact OE1-NH2 3.81Å; E462-R606 PolarHBondContact OE1-NH2 3.31Å; S603-R606 PolarHBondContact O-N 2.91Å; I604-R606 VanDerWaalsContact C-N 3.33Å; I604-R606 PolarHBondContact O-N 3.32Å; R606-S608 VanDerWaalsContact C-N 3.31Å
607	H	82.4	Confident	85.1	Confident	17 Å²	17	64.6 Å²	64.6	8%	0.079	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	12.1	-179.1	-59.6	-49.2	0	0	0	113.2	C461 Y602 S603 I604 H605 F650 K651 L654	C461-H607 PolarHBondContact O-CE1 3Å; Y602-H607 AromaticContact CD1-NE2 3.75Å; S603-H607 PolarHBondContact O-CD2 2.89Å; S603-H607 PolarHBondContact O-N 2.85Å; I604-H607 CarbonylContact O-C 3.53Å; I604-H607 PolarHBondContact O-N 2.84Å; H605-H607 VanDerWaalsContact C-N 3.31Å; H605-H607 PolarHBondContact O-N 3.27Å; H607-F650 HydrophobicContact CB-CE1 4.27Å; H607-K651 HydrophobicContact CB-CG 4.49Å; H607-L654 HydrophobicContact CB-CD2 4.33Å; H607-L654 WeakPolarHBondContact O-CD2 3.42Å
608	S	79.2	Confident	85.3	Confident	53 Å²	53	68.8 Å²	68.8	37%	0.371	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-61.5	143.2	175.7	66.8	0	0	0	0	111.6	I604 H605 R606 M614	I604-S608 PolarHBondContact O-N 3.44Å; H605-S608 VanDerWaalsContact O-CB 3.26Å; H605-S608 WeakPolarHBondContact O-CB 3.35Å; H605-S608 PolarHBondContact O-N 3.24Å; H605-S608 PolarHBondContact O-OG 3.48Å; R606-S608 VanDerWaalsContact C-N 3.31Å; S608-M614 WeakPolarHBondContact CB-SD 3.49Å
609	I	76.8	Confident	85.3	Confident	54 Å²	54	73.3 Å²	73.3	28%	0.277	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-90.6	127.9	177.1	-58.1	167.5	0	0	0	107.5	R611 M612 T655	I609-R611 PolarHBondContact O-N 2.95Å; I609-M612 HydrophobicContact CB-CB 4.31Å; I609-M612 HydrophobicContact CB-CG 4.15Å; I609-M612 HydrophobicContact CB-SD 3.87Å; I609-M612 HydrophobicContact CD1-SD 3.81Å; I609-M612 HydrophobicContact CG1-SD 4.45Å; I609-M612 HydrophobicContact CG2-CE 4.31Å; I609-M612 HydrophobicContact CG2-CG 4.01Å; I609-M612 HydrophobicContact CG2-SD 3.79Å; I609-M612 PolarHBondContact O-N 3.34Å; I609-T655 HydrophobicContact CD1-CG2 3.72Å; I609-T655 VanDerWaalsContact CD1-OG1 3.24Å; I609-T655 WeakPolarHBondContact CD1-OG1 3.24Å
610	R	73.8	Confident	85.3	Confident	233 Å²	233	71.1 Å²	71.1	88%	0.879	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	135.3	177.6	-72.5	-177.2	175.5	178	-1.5	109.8	M612	R610-M612 VanDerWaalsContact C-N 3.3Å; R610-M612 PolarHBondContact O-N 2.9Å
611	R	75.1	Confident	85.1	Confident	224 Å²	224	71.4 Å²	71.4	85%	0.845	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	23.4	-179.3	-48	-176.3	-177.7	-152.4	1.3	115.1	I609 T661	I609-R611 PolarHBondContact O-N 2.95Å; R611-T661 PolarHBondContact O-N 3.28Å; R611-T661 PolarHBondContact O-OG1 3.45Å
612	M	78.4	Confident	85	Confident	59 Å²	59	75.9 Å²	75.9	29%	0.291	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.5	167	-64.4	-169.8	169.3	0	0	111.7	I609 R610 V659 T661	I609-M612 HydrophobicContact CB-CB 4.31Å; I609-M612 HydrophobicContact CB-CG 4.15Å; I609-M612 HydrophobicContact CB-SD 3.87Å; I609-M612 HydrophobicContact CD1-SD 3.81Å; I609-M612 HydrophobicContact CG1-SD 4.45Å; I609-M612 HydrophobicContact CG2-CE 4.31Å; I609-M612 HydrophobicContact CG2-CG 4.01Å; I609-M612 HydrophobicContact CG2-SD 3.79Å; I609-M612 PolarHBondContact O-N 3.34Å; R610-M612 VanDerWaalsContact C-N 3.3Å; R610-M612 PolarHBondContact O-N 2.9Å; M612-V659 CarbonylContact C-O 3.59Å; M612-V659 WeakPolarHBondContact CA-O 3.42Å; M612-T661 PolarHBondContact N-OG1 2.86Å
613	N	82	Confident	85	Confident	88 Å²	88	77.3 Å²	77.3	47%	0.471	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.5	167.7	-67.1	-22.8	0	0	0	108.9	V659 T661	N613-V659 PolarHBondContact N-O 3.4Å; N613-V659 PolarHBondContact O-N 3.18Å; N613-T661 PolarHBondContact OD1-OG1 3.01Å
614	M	83.2	Confident	85.2	Confident	51 Å²	51	77 Å²	77	25%	0.251	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-77.4	146.1	-178.5	-63.4	-150	-58	0	0	112.2	I604 S608 L654	I604-M614 HydrophobicContact CB-CE 4.11Å; I604-M614 HydrophobicContact CG2-CE 3.44Å; I604-M614 VanDerWaalsContact CG2-CE 3.44Å; I604-M614 HydrophobicContact CG2-SD 3.53Å; I604-M614 VanDerWaalsContact CG2-SD 3.53Å; S608-M614 WeakPolarHBondContact CB-SD 3.49Å; M614-L654 HydrophobicContact SD-CD1 4.38Å; M614-L654 HydrophobicContact SD-CD2 4.44Å
615	P	84.1	Confident	85.5	Confident	19 Å²	19	80.1 Å²	80.1	12%	0.123	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-60.5	147.4	170.1	25.9	-33.5	0	0	0	110.8	L617 F620 Y623 L654	P615-L617 PolarHBondContact O-N 3.3Å; P615-F620 HydrophobicContact CB-CB 4.35Å; P615-F620 HydrophobicContact CG-CB 4Å; P615-F620 HydrophobicContact CG-CD2 3.92Å; P615-F620 HydrophobicContact CG-CG 4.25Å; P615-Y623 HydrophobicContact CB-CE2 4.08Å; P615-L654 HydrophobicContact CG-CD1 4.16Å
616	K	87.8	Confident	86	Confident	169 Å²	169	80.1 Å²	80.1	74%	0.735	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-56.5	139.1	170.3	-67.6	-172.6	178	-176.2	0	109.4	N618 K619 F620	K616-N618 VanDerWaalsContact C-N 3.28Å; K616-N618 PolarHBondContact O-N 3.41Å; K616-N618 VanDerWaalsContact O-N 3.11Å; K616-K619 WeakPolarHBondContact O-CA 3.43Å; K616-K619 WeakPolarHBondContact O-CB 3.47Å; K616-K619 PolarHBondContact O-N 2.76Å; K616-F620 PolarHBondContact O-N 2.88Å
617	L	87.9	Confident	86.4	Confident	35 Å²	35	77.3 Å²	77.3	18%	0.183	37%	0.367	C	S	.	.	H	α-helix	trans	-44.6	-49.8	-177.6	173.3	61.5	0	0	0	112.8	I604 P615 K619 F620 L621 P638 V641	I604-L617 HydrophobicContact CD1-CB 4.38Å; I604-L617 HydrophobicContact CD1-CD1 3.34Å; I604-L617 HydrophobicContact CD1-CG 4.44Å; I604-L617 HydrophobicContact CG1-CD1 4.42Å; P615-L617 PolarHBondContact O-N 3.3Å; L617-K619 VanDerWaalsContact C-N 3.34Å; L617-K619 PolarHBondContact O-N 2.79Å; L617-F620 WeakPolarHBondContact O-CB 2.98Å; L617-F620 PolarHBondContact O-N 3.18Å; L617-F620 VanDerWaalsContact O-N 3.1Å; L617-L621 HydrophobicContact CD1-CD1 4.43Å; L617-L621 HydrophobicContact CD1-CD2 4.27Å; L617-L621 HydrophobicContact CD1-CG 4.15Å; L617-L621 HydrophobicContact CG-CD1 4.4Å; L617-L621 WeakPolarHBondContact O-CG 3.48Å; L617-L621 PolarHBondContact O-N 2.86Å; L617-P638 WeakPolarHBondContact CD2-O 3.1Å; L617-V641 HydrophobicContact CD1-CG2 3.64Å
618	N	89.9	Confident	86.9	Confident	100 Å²	100	79.7 Å²	79.7	54%	0.535	40%	0.395	S	S	.	.	H	α-helix	trans	-60.8	-37.8	179.9	-76.1	-20.4	0	0	0	114.3	K616 Q622 R633	K616-N618 VanDerWaalsContact C-N 3.28Å; K616-N618 PolarHBondContact O-N 3.41Å; K616-N618 VanDerWaalsContact O-N 3.11Å; N618-Q622 PolarHBondContact O-N 2.89Å; N618-R633 PolarHBondContact ND2-NH2 3.24Å; N618-R633 PolarHBondContact OD1-NH2 3.41Å
619	K	90.7	Very high	87.6	Confident	116 Å²	116	79 Å²	79	50%	0.504	39%	0.386	S	S	.	.	H	α-helix	trans	-70.2	-38.8	175.2	-70.9	-167.8	174.1	-170.5	0	110.7	K616 L617 Q622 Y623	K616-K619 WeakPolarHBondContact O-CA 3.43Å; K616-K619 WeakPolarHBondContact O-CB 3.47Å; K616-K619 PolarHBondContact O-N 2.76Å; L617-K619 VanDerWaalsContact C-N 3.34Å; L617-K619 PolarHBondContact O-N 2.79Å; K619-Q622 WeakPolarHBondContact O-CB 3.3Å; K619-Q622 PolarHBondContact O-N 3.05Å; K619-Y623 HydrophobicContact CB-CE2 4.24Å; K619-Y623 WeakPolarHBondContact O-CD2 3.39Å; K619-Y623 VanDerWaalsContact O-CG 3.3Å; K619-Y623 PolarHBondContact O-N 2.81Å
620	F	91.3	Very high	88.5	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-65.6	-39.9	178.4	-174.6	-114.8	0	0	0	112.9	I604 P615 K616 L617 Q622 Y623 L624 V641 F650 V653 L654	I604-F620 HydrophobicContact CD1-CB 4.44Å; I604-F620 HydrophobicContact CD1-CD1 3.52Å; I604-F620 HydrophobicContact CD1-CE1 4.17Å; I604-F620 HydrophobicContact CD1-CG 4.29Å; I604-F620 HydrophobicContact CG1-CD1 4.07Å; I604-F620 HydrophobicContact CG1-CE1 4.22Å; P615-F620 HydrophobicContact CB-CB 4.35Å; P615-F620 HydrophobicContact CG-CB 4Å; P615-F620 HydrophobicContact CG-CD2 3.92Å; P615-F620 HydrophobicContact CG-CG 4.25Å; K616-F620 PolarHBondContact O-N 2.88Å; L617-F620 WeakPolarHBondContact O-CB 2.98Å; L617-F620 PolarHBondContact O-N 3.18Å; L617-F620 VanDerWaalsContact O-N 3.1Å; F620-Q622 VanDerWaalsContact C-N 3.26Å; F620-Q622 PolarHBondContact O-N 3.4Å; F620-Y623 HydrophobicContact CD2-CD2 4.48Å; F620-Y623 PolarHBondContact O-N 3.38Å; F620-L624 HydrophobicContact CD1-CD1 4.08Å; F620-L624 HydrophobicContact CE1-CD1 3.57Å; F620-L624 HydrophobicContact CE1-CG 4.26Å; F620-L624 HydrophobicContact CE2-CG 4.39Å; F620-L624 HydrophobicContact CZ-CD1 3.83Å; F620-L624 HydrophobicContact CZ-CD2 4.38Å; F620-L624 HydrophobicContact CZ-CG 4.07Å; F620-L624 PolarHBondContact O-N 3.25Å; F620-V641 HydrophobicContact CD1-CG2 4.43Å; F620-F650 HydrophobicContact CE1-CD2 4.22Å; F620-F650 HydrophobicContact CE1-CE1 4.27Å; F620-F650 AromaticContact CE1-CE2 3.48Å; F620-F650 HydrophobicContact CE1-CE2 3.48Å; F620-F650 VanDerWaalsContact CE1-CE2 3.48Å; F620-F650 AromaticContact CE1-CZ 3.51Å; F620-F650 HydrophobicContact CE1-CZ 3.51Å; F620-F650 HydrophobicContact CZ-CD2 4.24Å; F620-F650 HydrophobicContact CZ-CE1 4.31Å; F620-F650 AromaticContact CZ-CE2 3.92Å; F620-F650 HydrophobicContact CZ-CE2 3.92Å; F620-F650 AromaticContact CZ-CZ 3.96Å; F620-F650 HydrophobicContact CZ-CZ 3.96Å; F620-V653 HydrophobicContact CE2-CB 4.4Å; F620-V653 HydrophobicContact CE2-CG1 3.94Å; F620-L654 HydrophobicContact CD2-CD1 3.94Å; F620-L654 HydrophobicContact CE1-CD1 4.44Å; F620-L654 HydrophobicContact CE2-CB 3.77Å; F620-L654 HydrophobicContact CE2-CD1 3.68Å; F620-L654 HydrophobicContact CE2-CG 4.34Å; F620-L654 HydrophobicContact CG-CD1 4.45Å; F620-L654 HydrophobicContact CZ-CB 3.87Å; F620-L654 HydrophobicContact CZ-CD1 3.94Å; F620-L654 HydrophobicContact CZ-CG 4.43Å
621	L	92	Very high	89.5	Confident	10 Å²	10	69.2 Å²	69.2	5%	0.052	35%	0.346	C	S	.	.	H	α-helix	trans	-56.8	-43.3	171.5	-64.7	175.6	0	0	0	111.1	L617 L624 T625 V631 R633 V641	L617-L621 HydrophobicContact CD1-CD1 4.43Å; L617-L621 HydrophobicContact CD1-CD2 4.27Å; L617-L621 HydrophobicContact CD1-CG 4.15Å; L617-L621 HydrophobicContact CG-CD1 4.4Å; L617-L621 WeakPolarHBondContact O-CG 3.48Å; L617-L621 PolarHBondContact O-N 2.86Å; L621-L624 PolarHBondContact O-N 3.41Å; L621-T625 PolarHBondContact O-N 3.12Å; L621-T625 PolarHBondContact O-OG1 2.92Å; L621-T625 VanDerWaalsContact O-OG1 3.1Å; L621-V631 HydrophobicContact CB-CG1 4.48Å; L621-V631 HydrophobicContact CD2-CG1 3.39Å; L621-R633 HydrophobicContact CD1-CG 3.78Å; L621-V641 HydrophobicContact CD2-CB 4.33Å; L621-V641 HydrophobicContact CD2-CG1 3.66Å; L621-V641 HydrophobicContact CD2-CG2 3.86Å
622	Q	91.8	Very high	90.4	Very high	102 Å²	102	58.5 Å²	58.5	48%	0.477	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-44.7	176.6	179.3	177.8	-2.6	0	0	112	N618 K619 F620 L624 T625 E626	N618-Q622 PolarHBondContact O-N 2.89Å; K619-Q622 WeakPolarHBondContact O-CB 3.3Å; K619-Q622 PolarHBondContact O-N 3.05Å; F620-Q622 VanDerWaalsContact C-N 3.26Å; F620-Q622 PolarHBondContact O-N 3.4Å; Q622-L624 VanDerWaalsContact C-N 3.29Å; Q622-L624 PolarHBondContact O-N 3.09Å; Q622-T625 PolarHBondContact O-N 3.21Å; Q622-T625 VanDerWaalsContact O-N 3.13Å; Q622-E626 HydrophobicContact CG-CG 4.3Å; Q622-E626 VanDerWaalsContact CG-OE1 3.23Å; Q622-E626 WeakPolarHBondContact CG-OE1 3.33Å; Q622-E626 PolarHBondContact NE2-OE1 3.32Å; Q622-E626 WeakPolarHBondContact O-CB 3.46Å; Q622-E626 WeakPolarHBondContact O-CG 3.47Å; Q622-E626 PolarHBondContact O-N 3.12Å
623	Y	93.8	Very high	91.2	Very high	52 Å²	52	61.4 Å²	61.4	20%	0.204	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-36.4	177.4	-59.2	-33.1	0	0	0	112.9	P615 K619 F620 A627 Y657	P615-Y623 HydrophobicContact CB-CE2 4.08Å; K619-Y623 HydrophobicContact CB-CE2 4.24Å; K619-Y623 WeakPolarHBondContact O-CD2 3.39Å; K619-Y623 VanDerWaalsContact O-CG 3.3Å; K619-Y623 PolarHBondContact O-N 2.81Å; F620-Y623 HydrophobicContact CD2-CD2 4.48Å; F620-Y623 PolarHBondContact O-N 3.38Å; Y623-A627 WeakPolarHBondContact O-CB 3.37Å; Y623-A627 PolarHBondContact O-N 3.33Å; Y623-Y657 HydrophobicContact CD1-CD1 4.28Å; Y623-Y657 HydrophobicContact CD1-CE1 4.15Å; Y623-Y657 HydrophobicContact CD1-CE2 4.43Å; Y623-Y657 HydrophobicContact CD1-CG 4.47Å; Y623-Y657 AromaticContact CD2-CD1 3.97Å; Y623-Y657 HydrophobicContact CD2-CD1 3.97Å; Y623-Y657 AromaticContact CD2-CD2 3.69Å; Y623-Y657 HydrophobicContact CD2-CD2 3.69Å; Y623-Y657 HydrophobicContact CD2-CE2 4.35Å; Y623-Y657 AromaticContact CD2-CG 3.49Å; Y623-Y657 HydrophobicContact CD2-CG 3.49Å; Y623-Y657 VanDerWaalsContact CD2-CG 3.49Å; Y623-Y657 HydrophobicContact CE1-CD1 4.11Å; Y623-Y657 HydrophobicContact CE1-CE1 4.15Å; Y623-Y657 AromaticContact CE2-CD1 3.76Å; Y623-Y657 HydrophobicContact CE2-CD1 3.76Å; Y623-Y657 HydrophobicContact CE2-CD2 4.29Å; Y623-Y657 AromaticContact CE2-CG 3.61Å; Y623-Y657 HydrophobicContact CE2-CG 3.61Å; Y623-Y657 HydrophobicContact CG-CD1 4.23Å; Y623-Y657 AromaticContact CG-CD2 3.82Å; Y623-Y657 HydrophobicContact CG-CD2 3.82Å; Y623-Y657 HydrophobicContact CG-CE1 4.38Å; Y623-Y657 HydrophobicContact CG-CE2 4.02Å; Y623-Y657 AromaticContact CG-CG 3.95Å; Y623-Y657 HydrophobicContact CG-CG 3.95Å; Y623-Y657 AromaticContact CZ-CD1 3.83Å
624	L	93.7	Very high	91.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.6	-40.5	173.9	-75.3	170.2	0	0	0	111.9	F620 L621 Q622 A627 G628 F629 V631 V641 F650 V653	F620-L624 HydrophobicContact CD1-CD1 4.08Å; F620-L624 HydrophobicContact CE1-CD1 3.57Å; F620-L624 HydrophobicContact CE1-CG 4.26Å; F620-L624 HydrophobicContact CE2-CG 4.39Å; F620-L624 HydrophobicContact CZ-CD1 3.83Å; F620-L624 HydrophobicContact CZ-CD2 4.38Å; F620-L624 HydrophobicContact CZ-CG 4.07Å; F620-L624 PolarHBondContact O-N 3.25Å; L621-L624 PolarHBondContact O-N 3.41Å; Q622-L624 VanDerWaalsContact C-N 3.29Å; Q622-L624 PolarHBondContact O-N 3.09Å; L624-A627 PolarHBondContact O-N 3.12Å; L624-G628 PolarHBondContact O-N 3.12Å; L624-F629 HydrophobicContact CD2-CD2 4.28Å; L624-F629 PolarHBondContact O-N 3.21Å; L624-F629 VanDerWaalsContact O-N 3.14Å; L624-V631 HydrophobicContact CB-CG1 4.37Å; L624-V631 HydrophobicContact CB-CG2 3.49Å; L624-V631 VanDerWaalsContact CB-CG2 3.49Å; L624-V631 HydrophobicContact CD1-CG1 4.08Å; L624-V641 HydrophobicContact CD1-CG1 3.9Å; L624-F650 HydrophobicContact CD1-CD2 4.06Å; L624-F650 HydrophobicContact CD1-CE2 4.04Å; L624-F650 HydrophobicContact CD2-CD2 4.47Å; L624-V653 HydrophobicContact CD2-CB 4.01Å; L624-V653 HydrophobicContact CD2-CG1 4.02Å; L624-V653 HydrophobicContact CD2-CG2 4.09Å; L624-V653 HydrophobicContact CG-CG1 4.3Å
625	T	93.6	Very high	92.3	Very high	70 Å²	70	56.3 Å²	56.3	43%	0.429	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-42.8	174	-58.4	0	0	0	0	111.9	L621 Q622 A627 G628	L621-T625 PolarHBondContact O-N 3.12Å; L621-T625 PolarHBondContact O-OG1 2.92Å; L621-T625 VanDerWaalsContact O-OG1 3.1Å; Q622-T625 PolarHBondContact O-N 3.21Å; Q622-T625 VanDerWaalsContact O-N 3.13Å; T625-A627 PolarHBondContact O-N 3.28Å; T625-G628 WeakPolarHBondContact O-CA 3.16Å; T625-G628 PolarHBondContact O-N 3.43Å
626	E	93.4	Very high	92.9	Very high	119 Å²	119	55.4 Å²	55.4	56%	0.556	28%	0.28	S	S	*	.	H	α-helix	trans	-63.8	-28.7	175.4	-73.4	169.7	-174.9	0	0	112.2	Q622 G628	Q622-E626 HydrophobicContact CG-CG 4.3Å; Q622-E626 VanDerWaalsContact CG-OE1 3.23Å; Q622-E626 WeakPolarHBondContact CG-OE1 3.33Å; Q622-E626 PolarHBondContact NE2-OE1 3.32Å; Q622-E626 WeakPolarHBondContact O-CB 3.46Å; Q622-E626 WeakPolarHBondContact O-CG 3.47Å; Q622-E626 PolarHBondContact O-N 3.12Å; E626-G628 PolarHBondContact O-N 3.25Å
627	A	93.3	Very high	93.1	Very high	53 Å²	53	48.4 Å²	48.4	44%	0.438	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	0.5	171.8	0	0	0	0	0	113.7	Y623 L624 T625 F629 V653	Y623-A627 WeakPolarHBondContact O-CB 3.37Å; Y623-A627 PolarHBondContact O-N 3.33Å; L624-A627 PolarHBondContact O-N 3.12Å; T625-A627 PolarHBondContact O-N 3.28Å; A627-F629 HydrophobicContact CB-CD2 3.83Å; A627-F629 HydrophobicContact CB-CE2 3.86Å; A627-V653 HydrophobicContact CB-CG2 4.32Å
628	G	93.3	Very high	93.3	Very high	66 Å²	66	51.8 Å²	51.8	68%	0.68	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	10.8	174.4	0	0	0	0	0	115.4	L624 T625 E626	L624-G628 PolarHBondContact O-N 3.12Å; T625-G628 WeakPolarHBondContact O-CA 3.16Å; T625-G628 PolarHBondContact O-N 3.43Å; E626-G628 PolarHBondContact O-N 3.25Å
629	F	94.5	Very high	93.3	Very high	40 Å²	40	48.9 Å²	48.9	18%	0.175	26%	0.261	C	S	.	.			trans	-91.7	149.5	179.8	-60.7	-69.6	0	0	0	112.2	L624 A627 V631 D644 A645 Q649	L624-F629 HydrophobicContact CD2-CD2 4.28Å; L624-F629 PolarHBondContact O-N 3.21Å; L624-F629 VanDerWaalsContact O-N 3.14Å; A627-F629 HydrophobicContact CB-CD2 3.83Å; A627-F629 HydrophobicContact CB-CE2 3.86Å; F629-V631 HydrophobicContact CB-CG2 4.37Å; F629-V631 WeakPolarHBondContact O-CG2 3.23Å; F629-D644 WeakPolarHBondContact CA-OD1 3.25Å; F629-D644 WeakPolarHBondContact CB-OD1 3.35Å; F629-A645 HydrophobicContact CB-CB 4.35Å; F629-A645 HydrophobicContact CD1-CB 3.57Å; F629-A645 HydrophobicContact CD2-CB 3.98Å; F629-A645 HydrophobicContact CE1-CB 3.76Å; F629-A645 HydrophobicContact CE2-CB 4.15Å; F629-A645 HydrophobicContact CG-CB 3.69Å; F629-A645 HydrophobicContact CZ-CB 4.06Å; F629-Q649 HydrophobicContact CE2-CB 4.39Å; F629-Q649 HydrophobicContact CZ-CB 3.91Å; F629-Q649 HydrophobicContact CZ-CG 4.08Å
630	R	94.4	Very high	93.4	Very high	77 Å²	77	43.4 Å²	43.4	29%	0.291	24%	0.237	S	C	.	.			trans	-71	137.4	164.5	-69.8	172.5	63.2	-162.9	1.9	108.4	E534 C535 L595 D596 T643 D644	E534-R630 PolarHBondContact O-NE 2.93Å; E534-R630 PolarHBondContact O-NH2 3.46Å; C535-R630 HydrophobicContact CB-CB 4.17Å; L595-R630 PolarHBondContact O-NH2 3.18Å; D596-R630 PolarHBondContact O-NH1 2.76Å; D596-R630 PolarHBondContact O-NH2 2.7Å; R630-T643 WeakPolarHBondContact O-CA 3.23Å; R630-T643 WeakPolarHBondContact O-CB 3.43Å; R630-T643 PolarHBondContact O-OG1 2.95Å; R630-D644 PolarHBondContact N-OD1 3.4Å
631	V	94.8	Very high	93.6	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	134	-175.8	-154.9	0	0	0	0	110.8	C535 T536 T537 L621 L624 F629 V641 R642	C535-V631 CarbonylContact C-O 3.55Å; C535-V631 CarbonylContact O-C 3.19Å; C535-V631 PolarHBondContact O-N 3.03Å; C535-V631 VanDerWaalsContact O-N 3.13Å; T536-V631 CarbonylContact C-O 3.51Å; T536-V631 WeakPolarHBondContact CA-O 3.3Å; T537-V631 PolarHBondContact N-O 3.33Å; L621-V631 HydrophobicContact CB-CG1 4.48Å; L621-V631 HydrophobicContact CD2-CG1 3.39Å; L624-V631 HydrophobicContact CB-CG1 4.37Å; L624-V631 HydrophobicContact CB-CG2 3.49Å; L624-V631 VanDerWaalsContact CB-CG2 3.49Å; L624-V631 HydrophobicContact CD1-CG1 4.08Å; F629-V631 HydrophobicContact CB-CG2 4.37Å; F629-V631 WeakPolarHBondContact O-CG2 3.23Å; V631-V641 HydrophobicContact CG1-CG1 3.41Å; V631-V641 VanDerWaalsContact CG1-CG1 3.41Å; V631-R642 WeakPolarHBondContact CA-O 3.33Å
632	S	95.1	Very high	93.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.4	166.7	70.6	0	0	0	0	110.9	C531 T536 R642	C531-S632 WeakPolarHBondContact O-CB 3.45Å; T536-S632 WeakPolarHBondContact O-CB 3.48Å; S632-R642 PolarHBondContact N-O 3.4Å; S632-R642 PolarHBondContact O-N 3.22Å
633	R	94.6	Very high	93.9	Very high	119 Å²	119	38.4 Å²	38.4	45%	0.449	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	166.9	157.4	-66.4	-178.3	173.5	-159.6	-4.8	109.3	N618 L621	N618-R633 PolarHBondContact ND2-NH2 3.24Å; N618-R633 PolarHBondContact OD1-NH2 3.41Å; L621-R633 HydrophobicContact CD1-CG 3.78Å
634	T	94.4	Very high	93.9	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.037	22%	0.224	C	C	.	.			trans	-125.8	144.5	171.3	176	0	0	0	0	110.5	E532 Y601 F636 D637	E532-T634 VanDerWaalsContact OE1-CB 3.3Å; E532-T634 WeakPolarHBondContact OE1-CB 3.32Å; E532-T634 PolarHBondContact OE1-OG1 2.82Å; Y601-T634 HydrophobicContact CD1-CG2 3.95Å; Y601-T634 HydrophobicContact CD2-CG2 3.97Å; Y601-T634 HydrophobicContact CG-CG2 3.65Å; T634-F636 HydrophobicContact CG2-CB 4.48Å; T634-F636 PolarHBondContact O-N 2.81Å; T634-F636 WeakPolarHBondContact OG1-CD2 3.17Å; T634-F636 PolarHBondContact OG1-N 2.96Å; T634-F636 VanDerWaalsContact OG1-N 3.16Å; T634-D637 HydrophobicContact CG2-CB 4.44Å
635	H	95.2	Very high	93.9	Very high	26 Å²	26	39.8 Å²	39.8	12%	0.12	23%	0.225	C	C	.	.	S	Bend	trans	-71	-18.2	172.6	77.6	-79.5	0	0	0	112.8	V426 A427 F502 L525 T528 L529 E532	V426-H635 WeakPolarHBondContact CA-NE2 3.3Å; A427-H635 PolarHBondContact N-NE2 3.22Å; A427-H635 VanDerWaalsContact N-NE2 3.15Å; F502-H635 AromaticContact CZ-CE1 3.85Å; L525-H635 HydrophobicContact CD1-CB 3.93Å; T528-H635 HydrophobicContact CG2-CB 4.43Å; L529-H635 HydrophobicContact CD2-CB 4.33Å; L529-H635 WeakPolarHBondContact CD2-ND1 3.43Å; E532-H635 IonicContact OE1-ND1 3.63Å; E532-H635 IonicContact OE2-CE1 2.69Å; E532-H635 IonicContact OE2-CG 2.74Å; E532-H635 PolarHBondContact OE2-N 2.93Å; E532-H635 IonicContact OE2-ND1 3.39Å; E532-H635 PolarHBondContact OE2-ND1 3.43Å
636	F	95.1	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-68.1	-40.5	-178.5	-66.7	-61.1	0	0	0	111.8	K398 E399 A402 A427 L501 Y601 T634	K398-F636 HydrophobicContact CB-CB 4.2Å; K398-F636 HydrophobicContact CB-CD1 3.76Å; K398-F636 HydrophobicContact CB-CG 4.37Å; K398-F636 WeakPolarHBondContact CD-O 3.33Å; K398-F636 PolarHBondContact NZ-O 3.19Å; E399-F636 HydrophobicContact CB-CD1 4.26Å; E399-F636 HydrophobicContact CB-CD2 3.68Å; E399-F636 HydrophobicContact CB-CE1 4.19Å; E399-F636 HydrophobicContact CB-CE2 3.64Å; E399-F636 HydrophobicContact CB-CG 4.02Å; E399-F636 HydrophobicContact CB-CZ 3.9Å; E399-F636 HydrophobicContact CG-CD2 4.13Å; E399-F636 HydrophobicContact CG-CE2 3.65Å; E399-F636 HydrophobicContact CG-CZ 3.95Å; A402-F636 HydrophobicContact CB-CE1 4.04Å; A402-F636 HydrophobicContact CB-CZ 4.1Å; A427-F636 HydrophobicContact CB-CD1 3.82Å; A427-F636 HydrophobicContact CB-CE1 3.61Å; L501-F636 HydrophobicContact CD1-CE2 4.28Å; L501-F636 HydrophobicContact CD1-CZ 4.15Å; Y601-F636 HydrophobicContact CD1-CB 4.06Å; Y601-F636 HydrophobicContact CD1-CD2 4.22Å; Y601-F636 HydrophobicContact CE1-CB 3.37Å; Y601-F636 HydrophobicContact CE1-CD2 4.16Å; Y601-F636 HydrophobicContact CE1-CG 4.05Å; T634-F636 HydrophobicContact CG2-CB 4.48Å; T634-F636 PolarHBondContact O-N 2.81Å; T634-F636 WeakPolarHBondContact OG1-CD2 3.17Å; T634-F636 PolarHBondContact OG1-N 2.96Å; T634-F636 VanDerWaalsContact OG1-N 3.16Å
637	D	93.1	Very high	93.7	Very high	23 Å²	23	34.2 Å²	34.2	12%	0.123	20%	0.199	C	C	.	.			trans	-137.3	123	-178	178.4	-3.5	0	0	0	110.2	Y601 T634 T639 G640	Y601-D637 HydrophobicContact CD2-CB 4.14Å; Y601-D637 HydrophobicContact CE2-CB 3.33Å; T634-D637 HydrophobicContact CG2-CB 4.44Å; D637-T639 PolarHBondContact O-N 3.08Å; D637-T639 PolarHBondContact OD1-N 3.13Å; D637-T639 PolarHBondContact OD1-OG1 3.41Å; D637-T639 PolarHBondContact OD2-OG1 3.17Å; D637-G640 PolarHBondContact O-N 2.96Å
638	P	90.5	Very high	93.5	Very high	105 Å²	105	39.1 Å²	39.1	68%	0.682	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-25.2	175.5	-25.6	34.2	0	0	0	114.6	L617	L617-P638 WeakPolarHBondContact CD2-O 3.1Å
639	T	90.3	Very high	93.5	Very high	40 Å²	40	39.9 Å²	39.9	25%	0.245	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	4.8	179.5	69.2	0	0	0	0	112.9	S603 I604 D637	S603-T639 PolarHBondContact OG-OG1 2.84Å; I604-T639 PolarHBondContact N-O 3.39Å; D637-T639 PolarHBondContact O-N 3.08Å; D637-T639 PolarHBondContact OD1-N 3.13Å; D637-T639 PolarHBondContact OD1-OG1 3.41Å; D637-T639 PolarHBondContact OD2-OG1 3.17Å
640	G	93.3	Very high	93.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	143.8	-178.9	0	0	0	0	0	112.7	Y602 D637	Y602-G640 CarbonylContact O-C 3.49Å; Y602-G640 WeakPolarHBondContact O-CA 3.15Å; D637-G640 PolarHBondContact O-N 2.96Å
641	V	94.9	Very high	93.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.5	176.9	-179.1	0	0	0	0	108.8	Y601 Y602 I604 L617 F620 L621 L624 V631 F650	Y601-V641 CarbonylContact C-O 3.4Å; Y601-V641 WeakPolarHBondContact CA-O 3.38Å; Y601-V641 WeakPolarHBondContact CB-O 3.43Å; Y602-V641 PolarHBondContact N-O 3.39Å; Y602-V641 PolarHBondContact O-N 3.5Å; I604-V641 HydrophobicContact CD1-CG2 3.81Å; I604-V641 HydrophobicContact CG1-CG2 3.8Å; L617-V641 HydrophobicContact CD1-CG2 3.64Å; F620-V641 HydrophobicContact CD1-CG2 4.43Å; L621-V641 HydrophobicContact CD2-CB 4.33Å; L621-V641 HydrophobicContact CD2-CG1 3.66Å; L621-V641 HydrophobicContact CD2-CG2 3.86Å; L624-V641 HydrophobicContact CD1-CG1 3.9Å; V631-V641 HydrophobicContact CG1-CG1 3.41Å; V631-V641 VanDerWaalsContact CG1-CG1 3.41Å; V641-F650 HydrophobicContact CB-CE2 4Å; V641-F650 HydrophobicContact CG1-CE2 4.14Å
642	R	95.3	Very high	93.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.4	170.2	-173.1	-179.1	-62.9	-86.4	1.7	108	E399 E532 C535 H597 P598 F600 V631 S632	E399-R642 VanDerWaalsContact CD-NH2 3.34Å; E399-R642 IonicContact OE1-CZ 3.02Å; E399-R642 IonicContact OE1-NH1 3.79Å; E399-R642 PolarHBondContact OE1-NH1 2.91Å; E399-R642 VanDerWaalsContact OE1-NH1 3.1Å; E399-R642 IonicContact OE1-NH2 3.16Å; E399-R642 IonicContact OE2-CZ 2.66Å; E399-R642 IonicContact OE2-NH1 3.87Å; E399-R642 PolarHBondContact OE2-NH1 2.99Å; E399-R642 IonicContact OE2-NH2 3.96Å; E399-R642 PolarHBondContact OE2-NH2 3.16Å; E532-R642 IonicContact OE1-CZ 3.82Å; E532-R642 IonicContact OE1-NE 2.77Å; E532-R642 PolarHBondContact OE1-NE 3.41Å; E532-R642 IonicContact OE1-NH2 2.87Å; E532-R642 PolarHBondContact OE1-NH2 3.24Å; C535-R642 PolarHBondContact SG-O 3.2Å; H597-R642 PolarHBondContact ND1-NH1 3.02Å; H597-R642 VanDerWaalsContact ND1-NH1 3.19Å; P598-R642 HydrophobicContact CB-CG 4.28Å; P598-R642 HydrophobicContact CG-CG 4.48Å; P598-R642 WeakPolarHBondContact O-CD 3.32Å; P598-R642 PolarHBondContact O-NH1 3.14Å; F600-R642 PolarHBondContact O-NH1 3.08Å; V631-R642 WeakPolarHBondContact CA-O 3.33Å; S632-R642 PolarHBondContact N-O 3.4Å; S632-R642 PolarHBondContact O-N 3.22Å
643	T	95.1	Very high	92.9	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.049	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	155.9	-178.1	-176.7	0	0	0	0	111.2	P598 Y602 R630 A645 F650	P598-T643 WeakPolarHBondContact CB-O 3.23Å; P598-T643 VanDerWaalsContact CG-C 3.44Å; P598-T643 WeakPolarHBondContact CG-O 3.33Å; Y602-T643 HydrophobicContact CD2-CG2 4.01Å; Y602-T643 HydrophobicContact CE2-CG2 4.22Å; R630-T643 WeakPolarHBondContact O-CA 3.23Å; R630-T643 WeakPolarHBondContact O-CB 3.43Å; R630-T643 PolarHBondContact O-OG1 2.95Å; T643-A645 VanDerWaalsContact C-N 3.31Å; T643-A645 HydrophobicContact CG2-CB 3.89Å; T643-A645 PolarHBondContact OG1-N 3.37Å; T643-F650 HydrophobicContact CG2-CD2 4.08Å
644	D	94.1	Very high	92.7	Very high	76 Å²	76	36.2 Å²	36.2	41%	0.406	20%	0.2	S	C	.	.	S	Bend	trans	-84.8	-3	171.6	56.5	-4.1	0	0	0	113.1	P598 F629 R630	P598-D644 HydrophobicContact CG-CB 3.93Å; F629-D644 WeakPolarHBondContact CA-OD1 3.25Å; F629-D644 WeakPolarHBondContact CB-OD1 3.35Å; R630-D644 PolarHBondContact N-OD1 3.4Å
645	A	93.2	Very high	92.4	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.033	22%	0.218	C	C	.	.	S	Bend	trans	-62.8	139.6	169.6	0	0	0	0	0	111.5	F629 T643 Q649	F629-A645 HydrophobicContact CB-CB 4.35Å; F629-A645 HydrophobicContact CD1-CB 3.57Å; F629-A645 HydrophobicContact CD2-CB 3.98Å; F629-A645 HydrophobicContact CE1-CB 3.76Å; F629-A645 HydrophobicContact CE2-CB 4.15Å; F629-A645 HydrophobicContact CG-CB 3.69Å; F629-A645 HydrophobicContact CZ-CB 4.06Å; T643-A645 VanDerWaalsContact C-N 3.31Å; T643-A645 HydrophobicContact CG2-CB 3.89Å; T643-A645 PolarHBondContact OG1-N 3.37Å; A645-Q649 HydrophobicContact CB-CB 4.18Å
646	T	91.8	Very high	92.1	Very high	68 Å²	68	45 Å²	45	42%	0.417	24%	0.243	S	C	.	.			trans	-65.5	159.8	168.2	63.7	0	0	0	0	110.7	Q648 Q649 F650	T646-Q648 PolarHBondContact O-N 3.36Å; T646-Q649 PolarHBondContact O-N 2.87Å; T646-Q649 VanDerWaalsContact O-N 3.1Å; T646-Q649 VanDerWaalsContact OG1-CG 3.31Å; T646-Q649 WeakPolarHBondContact OG1-CG 3.43Å; T646-Q649 PolarHBondContact OG1-N 3.02Å; T646-Q649 PolarHBondContact OG1-OE1 3.33Å; T646-F650 WeakPolarHBondContact O-CB 3.41Å; T646-F650 PolarHBondContact O-N 2.88Å
647	L	90.4	Very high	91.7	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-36	177.9	-178.2	62.9	0	0	0	112.3	C461 E463 Y602 K651	C461-L647 HydrophobicContact CB-CD2 4.21Å; C461-L647 WeakPolarHBondContact O-CD2 3.31Å; E463-L647 HydrophobicContact CB-CD2 3.92Å; E463-L647 WeakPolarHBondContact OE2-CB 3.49Å; Y602-L647 HydrophobicContact CD1-CD1 3.75Å; Y602-L647 HydrophobicContact CE1-CB 4.13Å; Y602-L647 HydrophobicContact CE1-CD1 3.62Å; Y602-L647 HydrophobicContact CE1-CG 4.4Å; Y602-L647 HydrophobicContact CG-CD1 4.5Å; Y602-L647 PolarHBondContact OH-N 3.35Å; L647-K651 HydrophobicContact CD1-CD 4.37Å; L647-K651 HydrophobicContact CD1-CG 4.4Å; L647-K651 HydrophobicContact CG-CD 4.19Å; L647-K651 WeakPolarHBondContact O-CB 3.2Å; L647-K651 VanDerWaalsContact O-CG 3.31Å; L647-K651 WeakPolarHBondContact O-CG 3.33Å; L647-K651 PolarHBondContact O-N 2.98Å
648	Q	89.5	Confident	91.3	Very high	157 Å²	157	48.2 Å²	48.2	73%	0.734	26%	0.256	S	S	*	.	H	α-helix	trans	-65.3	-45	177.5	-174.3	178.1	-1	0	0	111.4	T646 K651 S652	T646-Q648 PolarHBondContact O-N 3.36Å; Q648-K651 PolarHBondContact O-N 3.11Å; Q648-S652 WeakPolarHBondContact O-CB 3.23Å; Q648-S652 PolarHBondContact O-N 3.21Å
649	Q	93.3	Very high	91	Very high	81 Å²	81	46.8 Å²	46.8	38%	0.379	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-45.6	175.8	-72	165.9	-41.5	0	0	111.1	F629 A645 T646 K651 S652 V653	F629-Q649 HydrophobicContact CE2-CB 4.39Å; F629-Q649 HydrophobicContact CZ-CB 3.91Å; F629-Q649 HydrophobicContact CZ-CG 4.08Å; A645-Q649 HydrophobicContact CB-CB 4.18Å; T646-Q649 PolarHBondContact O-N 2.87Å; T646-Q649 VanDerWaalsContact O-N 3.1Å; T646-Q649 VanDerWaalsContact OG1-CG 3.31Å; T646-Q649 WeakPolarHBondContact OG1-CG 3.43Å; T646-Q649 PolarHBondContact OG1-N 3.02Å; T646-Q649 PolarHBondContact OG1-OE1 3.33Å; Q649-K651 VanDerWaalsContact C-N 3.35Å; Q649-K651 PolarHBondContact O-N 2.88Å; Q649-S652 WeakPolarHBondContact O-CB 3.33Å; Q649-S652 PolarHBondContact O-N 3.42Å; Q649-S652 VanDerWaalsContact O-N 3.16Å; Q649-V653 WeakPolarHBondContact O-CG2 3.47Å; Q649-V653 PolarHBondContact O-N 3.02Å
650	F	93	Very high	90.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55	-48.3	175.6	-178.4	-87.6	0	0	0	111.9	Y602 I604 H607 F620 L624 V641 T643 T646 L654	Y602-F650 HydrophobicContact CD2-CB 4.39Å; Y602-F650 AromaticContact CD2-CD2 3.84Å; Y602-F650 HydrophobicContact CD2-CD2 3.84Å; Y602-F650 HydrophobicContact CD2-CE2 4.21Å; Y602-F650 HydrophobicContact CD2-CG 4.04Å; Y602-F650 HydrophobicContact CG-CD2 4.36Å; Y602-F650 HydrophobicContact CG-CE2 4.42Å; Y602-F650 HydrophobicContact CG-CG 4.38Å; I604-F650 HydrophobicContact CG1-CZ 4.29Å; H607-F650 HydrophobicContact CB-CE1 4.27Å; F620-F650 HydrophobicContact CE1-CD2 4.22Å; F620-F650 HydrophobicContact CE1-CE1 4.27Å; F620-F650 AromaticContact CE1-CE2 3.48Å; F620-F650 HydrophobicContact CE1-CE2 3.48Å; F620-F650 VanDerWaalsContact CE1-CE2 3.48Å; F620-F650 AromaticContact CE1-CZ 3.51Å; F620-F650 HydrophobicContact CE1-CZ 3.51Å; F620-F650 HydrophobicContact CZ-CD2 4.24Å; F620-F650 HydrophobicContact CZ-CE1 4.31Å; F620-F650 AromaticContact CZ-CE2 3.92Å; F620-F650 HydrophobicContact CZ-CE2 3.92Å; F620-F650 AromaticContact CZ-CZ 3.96Å; F620-F650 HydrophobicContact CZ-CZ 3.96Å; L624-F650 HydrophobicContact CD1-CD2 4.06Å; L624-F650 HydrophobicContact CD1-CE2 4.04Å; L624-F650 HydrophobicContact CD2-CD2 4.47Å; V641-F650 HydrophobicContact CB-CE2 4Å; V641-F650 HydrophobicContact CG1-CE2 4.14Å; T643-F650 HydrophobicContact CG2-CD2 4.08Å; T646-F650 WeakPolarHBondContact O-CB 3.41Å; T646-F650 PolarHBondContact O-N 2.88Å; F650-L654 HydrophobicContact CE1-CD2 4.41Å; F650-L654 WeakPolarHBondContact O-CB 3.45Å; F650-L654 PolarHBondContact O-N 3.02Å
651	K	90.8	Very high	89.3	Confident	68 Å²	68	52.1 Å²	52.1	30%	0.296	28%	0.279	S	S	.	.	H	α-helix	trans	-65.9	-37.9	177.2	-75.9	176.3	177.9	171.6	0	112.7	H607 L647 Q648 Q649 L654 T655	H607-K651 HydrophobicContact CB-CG 4.49Å; L647-K651 HydrophobicContact CD1-CD 4.37Å; L647-K651 HydrophobicContact CD1-CG 4.4Å; L647-K651 HydrophobicContact CG-CD 4.19Å; L647-K651 WeakPolarHBondContact O-CB 3.2Å; L647-K651 VanDerWaalsContact O-CG 3.31Å; L647-K651 WeakPolarHBondContact O-CG 3.33Å; L647-K651 PolarHBondContact O-N 2.98Å; Q648-K651 PolarHBondContact O-N 3.11Å; Q649-K651 VanDerWaalsContact C-N 3.35Å; Q649-K651 PolarHBondContact O-N 2.88Å; K651-L654 PolarHBondContact O-N 2.84Å; K651-T655 WeakPolarHBondContact O-CB 3.37Å; K651-T655 PolarHBondContact O-N 3.06Å; K651-T655 PolarHBondContact O-OG1 2.77Å
652	S	91.4	Very high	87.4	Confident	79 Å²	79	55.5 Å²	55.5	55%	0.552	31%	0.313	S	S	*	.	H	α-helix	trans	-61.7	-48.2	177.4	-179.1	0	0	0	0	111.3	Q648 Q649 L654 T655 K656	Q648-S652 WeakPolarHBondContact O-CB 3.23Å; Q648-S652 PolarHBondContact O-N 3.21Å; Q649-S652 WeakPolarHBondContact O-CB 3.33Å; Q649-S652 PolarHBondContact O-N 3.42Å; Q649-S652 VanDerWaalsContact O-N 3.16Å; S652-L654 PolarHBondContact O-N 3.21Å; S652-T655 PolarHBondContact O-N 3.13Å; S652-K656 WeakPolarHBondContact O-CB 3.48Å; S652-K656 PolarHBondContact O-N 3.39Å
653	V	92.2	Very high	85.2	Confident	16 Å²	16	59.9 Å²	59.9	10%	0.097	34%	0.34	C	S	.	.	H	α-helix	trans	-62.3	-44.1	175.5	179.6	0	0	0	0	110.5	F620 L624 A627 Q649 T655 K656 Y657	F620-V653 HydrophobicContact CE2-CB 4.4Å; F620-V653 HydrophobicContact CE2-CG1 3.94Å; L624-V653 HydrophobicContact CD2-CB 4.01Å; L624-V653 HydrophobicContact CD2-CG1 4.02Å; L624-V653 HydrophobicContact CD2-CG2 4.09Å; L624-V653 HydrophobicContact CG-CG1 4.3Å; A627-V653 HydrophobicContact CB-CG2 4.32Å; Q649-V653 WeakPolarHBondContact O-CG2 3.47Å; Q649-V653 PolarHBondContact O-N 3.02Å; V653-T655 VanDerWaalsContact C-N 3.34Å; V653-T655 PolarHBondContact O-N 3.12Å; V653-K656 PolarHBondContact O-N 3.2Å; V653-Y657 HydrophobicContact CG1-CD2 4.02Å; V653-Y657 HydrophobicContact CG1-CE2 4.18Å; V653-Y657 VanDerWaalsContact O-CD2 3.3Å; V653-Y657 WeakPolarHBondContact O-CD2 3.2Å; V653-Y657 PolarHBondContact O-N 2.95Å
654	L	89.8	Confident	82.7	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-60.7	-43.3	178.5	-173.1	61.7	0	0	0	112.1	I604 H607 M614 P615 F620 F650 K651 S652 Y657 S658	I604-L654 HydrophobicContact CG2-CD1 3.81Å; I604-L654 HydrophobicContact CG2-CD2 4.21Å; H607-L654 HydrophobicContact CB-CD2 4.33Å; H607-L654 WeakPolarHBondContact O-CD2 3.42Å; M614-L654 HydrophobicContact SD-CD1 4.38Å; M614-L654 HydrophobicContact SD-CD2 4.44Å; P615-L654 HydrophobicContact CG-CD1 4.16Å; F620-L654 HydrophobicContact CD2-CD1 3.94Å; F620-L654 HydrophobicContact CE1-CD1 4.44Å; F620-L654 HydrophobicContact CE2-CB 3.77Å; F620-L654 HydrophobicContact CE2-CD1 3.68Å; F620-L654 HydrophobicContact CE2-CG 4.34Å; F620-L654 HydrophobicContact CG-CD1 4.45Å; F620-L654 HydrophobicContact CZ-CB 3.87Å; F620-L654 HydrophobicContact CZ-CD1 3.94Å; F620-L654 HydrophobicContact CZ-CG 4.43Å; F650-L654 HydrophobicContact CE1-CD2 4.41Å; F650-L654 WeakPolarHBondContact O-CB 3.45Å; F650-L654 PolarHBondContact O-N 3.02Å; K651-L654 PolarHBondContact O-N 2.84Å; S652-L654 PolarHBondContact O-N 3.21Å; L654-Y657 PolarHBondContact O-N 3.25Å; L654-S658 WeakPolarHBondContact O-CB 3.4Å; L654-S658 PolarHBondContact O-N 3.43Å; L654-S658 PolarHBondContact O-OG 2.89Å
655	T	88.6	Confident	80	Confident	68 Å²	68	70.4 Å²	70.4	42%	0.417	40%	0.401	S	S	.	.	H	α-helix	trans	-63.1	-45.9	178.2	-51.3	0	0	0	0	111.2	I609 K651 S652 V653 Y657 S658	I609-T655 HydrophobicContact CD1-CG2 3.72Å; I609-T655 VanDerWaalsContact CD1-OG1 3.24Å; I609-T655 WeakPolarHBondContact CD1-OG1 3.24Å; K651-T655 WeakPolarHBondContact O-CB 3.37Å; K651-T655 PolarHBondContact O-N 3.06Å; K651-T655 PolarHBondContact O-OG1 2.77Å; S652-T655 PolarHBondContact O-N 3.13Å; V653-T655 VanDerWaalsContact C-N 3.34Å; V653-T655 PolarHBondContact O-N 3.12Å; T655-Y657 PolarHBondContact O-N 2.98Å; T655-S658 PolarHBondContact O-N 3.36Å
656	K	88.8	Confident	77.3	Confident	149 Å²	149	74.1 Å²	74.1	65%	0.648	44%	0.44	S	S	*	.	H	α-helix	trans	-57.9	-34.5	-177.5	-176.6	-179	176.7	-166	0	113	S652 V653	S652-K656 WeakPolarHBondContact O-CB 3.48Å; S652-K656 PolarHBondContact O-N 3.39Å; V653-K656 PolarHBondContact O-N 3.2Å
657	Y	86.1	Confident	74.6	Confident	75 Å²	75	76.2 Å²	76.2	29%	0.294	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	12.2	-174.3	-64.4	-76.9	0	0	0	114.1	Y623 V653 L654 T655	Y623-Y657 HydrophobicContact CD1-CD1 4.28Å; Y623-Y657 HydrophobicContact CD1-CE1 4.15Å; Y623-Y657 HydrophobicContact CD1-CE2 4.43Å; Y623-Y657 HydrophobicContact CD1-CG 4.47Å; Y623-Y657 AromaticContact CD2-CD1 3.97Å; Y623-Y657 HydrophobicContact CD2-CD1 3.97Å; Y623-Y657 AromaticContact CD2-CD2 3.69Å; Y623-Y657 HydrophobicContact CD2-CD2 3.69Å; Y623-Y657 HydrophobicContact CD2-CE2 4.35Å; Y623-Y657 AromaticContact CD2-CG 3.49Å; Y623-Y657 HydrophobicContact CD2-CG 3.49Å; Y623-Y657 VanDerWaalsContact CD2-CG 3.49Å; Y623-Y657 HydrophobicContact CE1-CD1 4.11Å; Y623-Y657 HydrophobicContact CE1-CE1 4.15Å; Y623-Y657 AromaticContact CE2-CD1 3.76Å; Y623-Y657 HydrophobicContact CE2-CD1 3.76Å; Y623-Y657 HydrophobicContact CE2-CD2 4.29Å; Y623-Y657 AromaticContact CE2-CG 3.61Å; Y623-Y657 HydrophobicContact CE2-CG 3.61Å; Y623-Y657 HydrophobicContact CG-CD1 4.23Å; Y623-Y657 AromaticContact CG-CD2 3.82Å; Y623-Y657 HydrophobicContact CG-CD2 3.82Å; Y623-Y657 HydrophobicContact CG-CE1 4.38Å; Y623-Y657 HydrophobicContact CG-CE2 4.02Å; Y623-Y657 AromaticContact CG-CG 3.95Å; Y623-Y657 HydrophobicContact CG-CG 3.95Å; Y623-Y657 AromaticContact CZ-CD1 3.83Å; V653-Y657 HydrophobicContact CG1-CD2 4.02Å; V653-Y657 HydrophobicContact CG1-CE2 4.18Å; V653-Y657 VanDerWaalsContact O-CD2 3.3Å; V653-Y657 WeakPolarHBondContact O-CD2 3.2Å; V653-Y657 PolarHBondContact O-N 2.95Å; L654-Y657 PolarHBondContact O-N 3.25Å; T655-Y657 PolarHBondContact O-N 2.98Å
658	S	85.9	Confident	72	Confident	14 Å²	14	79.3 Å²	79.3	10%	0.098	50%	0.497	C	S	.	.			trans	-94.7	141.4	173.1	-64.6	0	0	0	0	110.6	L654 T655	L654-S658 WeakPolarHBondContact O-CB 3.4Å; L654-S658 PolarHBondContact O-N 3.43Å; L654-S658 PolarHBondContact O-OG 2.89Å; T655-S658 PolarHBondContact O-N 3.36Å
659	V	84.2	Confident	69.3	Low	75 Å²	75	80.6 Å²	80.6	46%	0.455	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.9	-174.8	-175.2	0	0	0	0	109.9	M612 N613 T661	M612-V659 CarbonylContact C-O 3.59Å; M612-V659 WeakPolarHBondContact CA-O 3.42Å; N613-V659 PolarHBondContact N-O 3.4Å; N613-V659 PolarHBondContact O-N 3.18Å; V659-T661 PolarHBondContact O-N 3.43Å
660	P	80.4	Confident	66.4	Low	70 Å²	70	82.1 Å²	82.1	46%	0.455	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	137.9	175.8	-23.9	34.3	0	0	0	112.3	G662	P660-G662 PolarHBondContact O-N 3.26Å
661	T	66.7	Low	63.4	Low	83 Å²	83	89 Å²	89	51%	0.509	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.2	2.7	-176	-51.6	0	0	0	0	114	R611 M612 N613 V659	R611-T661 PolarHBondContact O-N 3.28Å; R611-T661 PolarHBondContact O-OG1 3.45Å; M612-T661 PolarHBondContact N-OG1 2.86Å; N613-T661 PolarHBondContact OD1-OG1 3.01Å; V659-T661 PolarHBondContact O-N 3.43Å
662	G	55.9	Low	60.7	Low	70 Å²	70	90.5 Å²	90.5	72%	0.722	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-1.6	-173.9	0	0	0	0	0	117.4	P660 N664	P660-G662 PolarHBondContact O-N 3.26Å; G662-N664 PolarHBondContact O-N 2.83Å
663	T	48.3	Very low	57.7	Low	92 Å²	92	92 Å²	92	56%	0.564	60%	0.601	S	S	*	*			trans	-100	73.9	-179.5	56.4	0	0	0	0	111.2
664	N	42.1	Very low	54.8	Low	169 Å²	169	96.1 Å²	96.1	90%	0.904	63%	0.63	S	S	*	*			trans	-120.3	73.1	158	-107.8	8.5	0	0	0	107.5	G662	G662-N664 PolarHBondContact O-N 2.83Å
665	T	37.8	Very low	52	Low	136 Å²	136	103.5 Å²	103.5	83%	0.834	67%	0.665	S	S	*	*			trans	-108.5	120.8	152.1	40.3	0	0	0	0	106.3	A667	T665-A667 PolarHBondContact O-N 2.96Å
666	G	36.7	Very low	49.2	Very low	82 Å²	82	108.4 Å²	108.4	85%	0.845	68%	0.68	S	S	*	*			trans	-58.5	124.6	-173.9	0	0	0	0	0	111.6	G668	G666-G668 PolarHBondContact O-N 3.19Å
667	A	35.7	Very low	46.6	Very low	112 Å²	112	105.7 Å²	105.7	93%	0.926	69%	0.686	S	S	*	*			trans	-73.4	81.6	159.2	0	0	0	0	0	108	T665	T665-A667 PolarHBondContact O-N 2.96Å
668	G	34.1	Very low	44.3	Very low	69 Å²	69	112.4 Å²	112.4	71%	0.711	73%	0.734	S	S	*	*			trans	-93.6	105.6	162.8	0	0	0	0	0	108.9	G666	G666-G668 PolarHBondContact O-N 3.19Å
669	Q	34.4	Very low	42.2	Very low	184 Å²	184	117.4 Å²	117.4	86%	0.86	77%	0.766	S	S	*	*			trans	38.4	119.1	149.6	-68	174.9	-1.6	0	0	119.7
670	S	31.2	Very low	40	Very low	114 Å²	114	119.6 Å²	119.6	80%	0.797	78%	0.782	S	S	*	*			trans	-29.3	127.3	150.7	52.4	0	0	0	0	116
671	T	30.2	Very low	37.7	Very low	143 Å²	143	122.3 Å²	122.3	88%	0.877	80%	0.8	S	S	*	*			trans	-144.8	137.1	133.8	42.8	0	0	0	0	109.9
672	A	35	Very low	36	Very low	100 Å²	100	124.6 Å²	124.6	83%	0.826	82%	0.818	S	S	*	*			trans	-74.1	146.9	178.4	0	0	0	0	0	112.1
673	S	27.9	Very low	34.8	Very low	112 Å²	112	128.1 Å²	128.1	78%	0.783	82%	0.824	S	S	*	*			trans	-166.8	108.3	141.8	34	0	0	0	0	111.3
674	S	30.7	Very low	33.9	Very low	101 Å²	101	130.5 Å²	130.5	71%	0.706	84%	0.841	S	S	*	*			trans	17.9	140	135.1	58.2	0	0	0	0	122.4
675	E	31.3	Very low	33.3	Very low	156 Å²	156	127.7 Å²	127.7	73%	0.729	84%	0.836	S	S	*	*			trans	76.3	139.7	151.7	-68.4	-174.9	179.3	0	0	117.1
676	K	29.5	Very low	32.9	Very low	171 Å²	171	127.1 Å²	127.1	74%	0.743	84%	0.836	S	S	*	*			cis	-164.6	167.1	12	-119.3	163.6	-174.4	144	0	108.4
677	A	34.3	Very low	32.6	Very low	92 Å²	92	130.8 Å²	130.8	76%	0.76	84%	0.836	S	S	*	*			trans	-34.5	148.8	168.8	0	0	0	0	0	115.1
678	V	37.3	Very low	32.4	Very low	216 Å²	216	132.5 Å²	132.5	100%	1.309	83%	0.828	S	S	*	*				-154.5	0	60.5	165.6	0	0	0	0	110.2

Retrieved 678 of 678 residues in 1099.7 ms (Link to these results)

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