A0A096NUR6_PAPAN Loading...

Glutathione hydrolase

Cleaves the gamma-glutamyl peptide bond of glutathione and glutathione conjugates. Hydrolyzes and transfers gamma-glutamyl moieties from glutathione and other gamma-glutamyl compounds to acceptors.

AlphaFold DB (A0A2K5KZZ7), UniProt , Accession A0A096NUR6, Species PAPAN (Papio anubis, Olive baboon), Gene GGT7, Length 662 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37	Very low	32.5	Very low	238 Å²	238	146.9 Å²	146.9	100%	1.172	84%	0.837	S	S	*	*				0	90.6	0	-68.3	176.2	-162.4	0	0	105.1
2	A	31.6	Very low	32.2	Very low	94 Å²	94	142 Å²	142	78%	0.777	83%	0.828	S	S	*	*				63.4	97.9	92.6	0	0	0	0	0	109.5
3	A	35.6	Very low	32	Very low	85 Å²	85	145 Å²	145	70%	0.702	84%	0.837	S	S	*	*				84.9	134.5	90.6	0	0	0	0	0	108.9
4	E	36.7	Very low	31.5	Very low	172 Å²	172	140.3 Å²	140.3	80%	0.804	84%	0.835	S	S	*	*			cis	-169.4	164.2	27.7	-106.6	152.4	-162.8	0	0	104.3
5	N	33.8	Very low	31.4	Very low	141 Å²	141	137.1 Å²	137.1	75%	0.754	83%	0.831	S	S	*	*				-174.2	160	52.2	-136.9	-11	0	0	0	112
6	E	34.3	Very low	31.1	Very low	181 Å²	181	144.1 Å²	144.1	85%	0.846	84%	0.84	S	S	*	*			trans	-81.2	163.6	-170.2	-59.1	170	130.7	0	0	116.2
7	A	29.6	Very low	30.9	Very low	89 Å²	89	141.4 Å²	141.4	74%	0.736	83%	0.831	S	S	*	*				151.5	100.8	124.2	0	0	0	0	0	110.3
8	S	29.5	Very low	31.9	Very low	110 Å²	110	139.5 Å²	139.5	77%	0.769	82%	0.824	S	S	*	*				69.7	112.3	78.2	67.8	0	0	0	0	115.8
9	Q	29.6	Very low	31.9	Very low	199 Å²	199	138.4 Å²	138.4	93%	0.93	82%	0.818	S	S	*	*				-173.9	143.9	119.9	-105.1	176.7	-6	0	0	113.6
10	E	30.4	Very low	31.7	Very low	185 Å²	185	139.2 Å²	139.2	86%	0.864	82%	0.818	S	S	*	*			trans	-90.1	174.8	-165.8	-66.7	171.3	123.3	0	0	115.4
11	S	29.1	Very low	31.6	Very low	122 Å²	122	142.8 Å²	142.8	85%	0.853	82%	0.82	S	S	*	*			trans	95.3	138.2	150.3	83.1	0	0	0	0	115.9
12	A	29	Very low	31.2	Very low	88 Å²	88	140.5 Å²	140.5	73%	0.727	81%	0.808	S	S	*	*			cis	-157.5	149.1	12.5	0	0	0	0	0	112.1
13	L	29.3	Very low	31	Very low	181 Å²	181	140.7 Å²	140.7	95%	0.948	80%	0.804	S	S	*	*			trans	-1	144.6	146.6	-71.7	134.9	0	0	0	120.8
14	G	26.2	Very low	30.7	Very low	79 Å²	79	144.1 Å²	144.1	81%	0.814	81%	0.809	S	S	*	*			trans	159.9	95.4	144.8	0	0	0	0	0	116.4
15	A	30.1	Very low	30.3	Very low	93 Å²	93	141.7 Å²	141.7	77%	0.769	81%	0.806	S	S	*	*			trans	-69.7	154.1	167.4	0	0	0	0	0	112.7
16	Y	26.4	Very low	30.1	Very low	248 Å²	248	140.6 Å²	140.6	97%	0.973	81%	0.809	S	S	*	*			trans	-170.2	145.1	142.9	-103.8	-76.4	0	0	0	111.8
17	S	27.5	Very low	30	Very low	99 Å²	99	141.8 Å²	141.8	69%	0.692	81%	0.812	S	S	*	*			trans	-127.4	-179	169.9	-174.3	0	0	0	0	106
18	P	49.3	Very low	30.2	Very low	107 Å²	107	143.6 Å²	143.6	70%	0.695	82%	0.816	S	S	*	*			cis	-128.4	-162.1	-37.5	24.4	-0.3	0	0	0	113.2
19	V	30.8	Very low	30.2	Very low	118 Å²	118	150 Å²	150	72%	0.715	82%	0.824	S	S	*	*			trans	85.9	127.3	156.7	-140.5	0	0	0	0	116.2
20	D	27.5	Very low	30.2	Very low	155 Å²	155	148.5 Å²	148.5	83%	0.829	82%	0.821	S	S	*	*				-165.6	149.6	84.5	-112	-30.5	0	0	0	117.1
21	Y	30.6	Very low	30.5	Very low	215 Å²	215	145.7 Å²	145.7	84%	0.843	82%	0.819	S	S	*	*			trans	-77.6	146.3	168.9	-106.7	-104.7	0	0	0	111.3
22	M	28	Very low	30.4	Very low	190 Å²	190	148.8 Å²	148.8	94%	0.936	82%	0.82	S	S	*	*			trans	-153.6	128.6	148.3	-101.5	-159.7	165.7	0	0	113.7
23	S	27.7	Very low	30.5	Very low	98 Å²	98	151.8 Å²	151.8	69%	0.685	82%	0.823	S	S	*	*			trans	-76.5	155.2	165.1	52.7	0	0	0	0	112.7
24	I	29.7	Very low	30.3	Very low	156 Å²	156	151.1 Å²	151.1	80%	0.8	82%	0.816	S	S	*	*				174.6	145	123.7	-91.3	162.9	0	0	0	112.4
25	T	28.3	Very low	30.9	Very low	121 Å²	121	152.7 Å²	152.7	74%	0.742	81%	0.812	S	S	*	*			trans	-46.4	148.3	173.6	56.2	0	0	0	0	117.8
26	S	30.2	Very low	31	Very low	118 Å²	118	152.1 Å²	152.1	83%	0.825	81%	0.807	S	S	*	*				170.1	136.6	122.1	45	0	0	0	0	113.6
27	F	31.9	Very low	31.4	Very low	206 Å²	206	146.3 Å²	146.3	90%	0.904	80%	0.799	S	S	*	*			trans	-67.4	156.3	171.7	-76.4	-96.8	0	0	0	112.9
28	P	34.1	Very low	31.4	Very low	127 Å²	127	146.5 Å²	146.5	83%	0.825	81%	0.807	S	S	*	*			trans	-111.9	135	150.4	15.8	3.7	0	0	0	113.1
29	R	28.7	Very low	30.5	Very low	245 Å²	245	145.7 Å²	145.7	93%	0.925	81%	0.809	S	S	*	*			trans	-81.2	155.3	171.2	-77.4	175.5	168	158.2	-4.4	111.6
30	L	29.3	Very low	30.9	Very low	168 Å²	168	145.9 Å²	145.9	88%	0.88	81%	0.813	S	S	*	*			trans	-53	154.7	166.4	-66	155.3	0	0	0	113.5
31	P	36	Very low	31	Very low	126 Å²	126	146.4 Å²	146.4	82%	0.818	82%	0.815	S	S	*	*			trans	-107.3	136.7	157.4	22.8	-5.6	0	0	0	113.3
32	E	28.4	Very low	30.8	Very low	187 Å²	187	148.3 Å²	148.3	87%	0.874	82%	0.821	S	S	*	*			trans	-88.2	139.2	166.9	-71.9	-179.8	152.3	0	0	111.8
33	D	29.8	Very low	30.7	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	81%	0.812	S	S	*	*			trans	45.9	127.6	139.2	-70.2	-14.5	0	0	0	127
34	E	26.2	Very low	30.6	Very low	168 Å²	168	149.8 Å²	149.8	79%	0.785	82%	0.824	S	S	*	*			trans	76.1	158	135.1	-76.3	-112.6	140.7	0	0	121.2
35	P	39.3	Very low	30.6	Very low	112 Å²	112	150.9 Å²	150.9	73%	0.727	82%	0.822	S	S	*	*			cis	-133.3	172.8	7.7	28.3	-4.5	0	0	0	117
36	A	30.3	Very low	30.7	Very low	81 Å²	81	150.5 Å²	150.5	67%	0.669	82%	0.816	S	S	*	*			trans	-63.3	176.4	179.1	0	0	0	0	0	117
37	P	35.8	Very low	30.7	Very low	125 Å²	125	152.9 Å²	152.9	81%	0.812	81%	0.814	S	S	*	*				-147.3	148.7	110.6	35.5	-18.3	0	0	0	118.3
38	A	28.4	Very low	30.6	Very low	104 Å²	104	150.4 Å²	150.4	86%	0.86	81%	0.81	S	S	*	*			trans	68.2	120.8	137.9	0	0	0	0	0	123.2
39	A	29.3	Very low	30.3	Very low	90 Å²	90	148.1 Å²	148.1	74%	0.744	80%	0.802	S	S	*	*			trans	-79.7	176.7	164.6	0	0	0	0	0	113.3
40	P	40	Very low	30.2	Very low	121 Å²	121	145 Å²	145	79%	0.786	80%	0.796	S	S	*	*				-148.8	138.3	92.4	35.5	-16.6	0	0	0	118
41	L	28.2	Very low	30.2	Very low	167 Å²	167	144.3 Å²	144.3	87%	0.874	79%	0.792	S	S	*	*			trans	21.8	131.3	134.6	-67.7	159.4	0	0	0	122.6
42	R	26.6	Very low	29.8	Very low	255 Å²	255	141.7 Å²	141.7	96%	0.962	79%	0.787	S	S	*	*				-164.3	139.1	126.3	-109.8	177	-176.4	-177.5	2.2	111.5
43	G	26.1	Very low	29.9	Very low	73 Å²	73	140.6 Å²	140.6	75%	0.753	79%	0.788	S	S	*	*			trans	-129	177.7	-177.8	0	0	0	0	0	115.6
44	R	27	Very low	30.3	Very low	246 Å²	246	138.6 Å²	138.6	93%	0.928	78%	0.783	S	S	*	*			trans	178.4	115.9	158	-110.5	175.4	160.8	162.6	-5.5	107.6
45	K	29.6	Very low	30.6	Very low	179 Å²	179	138.5 Å²	138.5	78%	0.778	79%	0.788	S	S	*	*				51.7	135.9	86.2	-82.3	-162.5	153.5	-121.3	0	113.7
46	D	29.3	Very low	30.5	Very low	112 Å²	112	140.1 Å²	140.1	60%	0.599	80%	0.796	S	S	*	*			cis	-171.3	174.3	-2.2	-94.8	-25	0	0	0	107.4
47	E	30.1	Very low	30.8	Very low	168 Å²	168	142.7 Å²	142.7	79%	0.785	80%	0.798	S	S	*	*			trans	92.3	104.6	156.7	-54.6	-165.6	153.8	0	0	117.5
48	D	29.9	Very low	31	Very low	154 Å²	154	142.3 Å²	142.3	82%	0.824	80%	0.796	S	S	*	*				92.8	139	79.7	-81.9	-11.9	0	0	0	111.2
49	A	28.1	Very low	31.6	Very low	80 Å²	80	144.4 Å²	144.4	66%	0.661	79%	0.792	S	S	*	*			cis	-170.9	173.3	-4.1	0	0	0	0	0	109
50	F	26.4	Very low	31.9	Very low	179 Å²	179	145.6 Å²	145.6	79%	0.785	80%	0.796	S	S	*	*			trans	100.2	106.5	151.9	-99.6	-114.9	0	0	0	122.6
51	L	30.5	Very low	31.9	Very low	154 Å²	154	149.3 Å²	149.3	81%	0.806	80%	0.8	S	S	*	*			trans	63.6	133.2	143.3	-52.1	175.8	0	0	0	120
52	G	26.3	Very low	32.4	Very low	70 Å²	70	149.3 Å²	149.3	72%	0.722	80%	0.8	S	S	*	*			cis	158.5	131.8	1.4	0	0	0	0	0	109
53	D	30.1	Very low	33	Very low	164 Å²	164	147 Å²	147	88%	0.877	80%	0.796	S	S	*	*			trans	-162.1	152.8	158.3	-129.8	-0.4	0	0	0	109.6
54	P	38.4	Very low	33.4	Very low	109 Å²	109	149.4 Å²	149.4	71%	0.708	80%	0.802	S	S	*	*			trans	-95.3	120.9	-170.7	34.7	-27.7	0	0	0	112.2
55	D	33	Very low	33.7	Very low	166 Å²	166	142.3 Å²	142.3	89%	0.888	80%	0.796	S	S	*	*			trans	-84.9	118.7	166.3	-86.4	-37.4	0	0	0	111.1	D57	D55-D57 PolarHBondContact O-N 3.32Å
56	T	36.8	Very low	33.8	Very low	145 Å²	145	145.9 Å²	145.9	89%	0.89	81%	0.805	S	S	*	*			trans	-78.4	102.6	163.3	19	0	0	0	0	109.9
57	D	36.6	Very low	33.9	Very low	135 Å²	135	148.4 Å²	148.4	72%	0.722	82%	0.818	S	S	*	*			trans	-94.5	131.2	170.2	-163.5	22.9	0	0	0	110	D55 D59	D55-D57 PolarHBondContact O-N 3.32Å; D57-D59 PolarHBondContact O-N 3.17Å; D57-D59 VanDerWaalsContact O-N 3.14Å
58	P	41	Very low	34.1	Very low	117 Å²	117	149.7 Å²	149.7	76%	0.76	82%	0.824	S	S	*	*	S	Bend	trans	-91.9	72.5	-167.7	36.2	-28	0	0	0	110.9
59	D	39.4	Very low	34.2	Very low	148 Å²	148	153.9 Å²	153.9	79%	0.791	83%	0.828	S	S	*	*			trans	-141.3	18.7	175.8	-116.7	-6.5	0	0	0	114.3	D57	D57-D59 PolarHBondContact O-N 3.17Å; D57-D59 VanDerWaalsContact O-N 3.14Å
60	S	35.8	Very low	34.4	Very low	116 Å²	116	157.9 Å²	157.9	81%	0.811	84%	0.837	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	10.5	-175.6	75.6	0	0	0	0	116.3
61	F	41.2	Very low	34.9	Very low	199 Å²	199	155.1 Å²	155.1	87%	0.873	84%	0.837	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	2.2	-177.7	-138.3	-95.5	0	0	0	115.9
62	L	39	Very low	34.9	Very low	166 Å²	166	153.6 Å²	153.6	87%	0.869	84%	0.84	S	S	*	*	S	Bend	trans	-125.6	27.2	-178	-72.5	177.1	0	0	0	116.1
63	K	37.6	Very low	35.1	Very low	206 Å²	206	156.2 Å²	156.2	90%	0.896	85%	0.847	S	S	*	*			trans	-131.1	70.4	170.3	-77.6	-177.5	-179.3	165.4	0	113.5
64	S	34.7	Very low	35.3	Very low	124 Å²	124	153 Å²	153	87%	0.867	84%	0.837	S	S	*	*			trans	-161.7	81.2	150.5	51.3	0	0	0	0	113.3
65	A	33.8	Very low	35.1	Very low	98 Å²	98	153.3 Å²	153.3	81%	0.81	84%	0.842	S	S	*	*			trans	-152.2	100.3	151.2	0	0	0	0	0	109.6	L67	A65-L67 PolarHBondContact O-N 3.07Å
66	R	32.6	Very low	35.1	Very low	253 Å²	253	155.3 Å²	155.3	96%	0.955	85%	0.846	S	S	*	*			trans	-70.3	120.8	176.4	-91.1	177.1	166.1	174.4	-4	110.4
67	L	31.4	Very low	34.9	Very low	166 Å²	166	157.3 Å²	157.3	87%	0.869	85%	0.847	S	S	*	*			trans	-70.8	120.8	160.5	-77.9	152.6	0	0	0	109.9	A65	A65-L67 PolarHBondContact O-N 3.07Å
68	Q	33.3	Very low	34.6	Very low	195 Å²	195	154.3 Å²	154.3	91%	0.911	85%	0.848	S	S	*	*			trans	-90.5	112.3	164	-80.4	-174.9	-29.7	0	0	109.3
69	R	33.2	Very low	34.2	Very low	241 Å²	241	153.5 Å²	153.5	91%	0.909	85%	0.845	S	S	*	*			trans	-86.2	134.3	164.7	-74.4	-179.3	-176.5	173.2	1.3	108.8
70	L	32.2	Very low	34	Very low	164 Å²	164	154.7 Å²	154.7	86%	0.859	85%	0.846	S	S	*	*			trans	-113.9	144.7	160.6	-78.1	169.8	0	0	0	109.5
71	P	36.7	Very low	34.1	Very low	122 Å²	122	156.3 Å²	156.3	79%	0.792	85%	0.846	S	S	*	*			trans	-89.7	146.4	-163.1	34.5	-33.8	0	0	0	113.3
72	S	30.7	Very low	33.7	Very low	122 Å²	122	150.4 Å²	150.4	85%	0.853	84%	0.841	S	S	*	*			trans	-85.3	131.2	162.1	-35.3	0	0	0	0	108.9
73	S	30.3	Very low	33.5	Very low	124 Å²	124	147.9 Å²	147.9	87%	0.867	84%	0.837	S	S	*	*			trans	-147.8	138.6	154.6	-146	0	0	0	0	111.5
74	S	32.6	Very low	34.3	Very low	98 Å²	98	143.2 Å²	143.2	69%	0.685	83%	0.828	S	S	*	*			trans	-84	153.5	-171.9	46.5	0	0	0	0	113.1
75	S	36.2	Very low	34.2	Very low	115 Å²	115	144.7 Å²	144.7	80%	0.804	83%	0.825	S	S	*	*			trans	49.1	115.6	141.6	-52.3	0	0	0	0	119.6
76	E	31.7	Very low	34.4	Very low	207 Å²	207	151.1 Å²	151.1	97%	0.967	83%	0.829	S	S	*	*			trans	-148.9	153.6	138.2	-120.2	176.9	-179.1	0	0	111.8
77	M	32.3	Very low	35.1	Very low	187 Å²	187	147.9 Å²	147.9	92%	0.921	82%	0.824	S	S	*	*			trans	-120.1	142.9	-158.5	-171.4	167	70.7	0	0	109.4
78	G	31	Very low	35.6	Very low	72 Å²	72	146.7 Å²	146.7	74%	0.742	82%	0.824	S	S	*	*			trans	86.7	151.9	168.1	0	0	0	0	0	114.6
79	S	33.1	Very low	36.2	Very low	100 Å²	100	149 Å²	149	70%	0.699	82%	0.824	S	S	*	*			cis	-179.8	144.6	-3.4	47.3	0	0	0	0	106.4
80	Q	35.5	Very low	36.7	Very low	174 Å²	174	146.9 Å²	146.9	81%	0.813	82%	0.822	S	S	*	*			trans	67.7	138	156.3	-65.6	175.2	4.6	0	0	116.2
81	D	36.1	Very low	37.1	Very low	150 Å²	150	144.7 Å²	144.7	80%	0.802	81%	0.811	S	S	*	*			cis	-156.1	144.6	11.1	-89.7	-36.2	0	0	0	106.8
82	G	33.5	Very low	37.8	Very low	74 Å²	74	143.4 Å²	143.4	76%	0.763	80%	0.802	S	S	*	*				149.9	101.6	107.9	0	0	0	0	0	112.5
83	S	34.7	Very low	38.6	Very low	114 Å²	114	145.3 Å²	145.3	80%	0.797	80%	0.796	S	S	*	*			trans	-26.4	177.1	162.5	58.5	0	0	0	0	119.9
84	P	53.8	Low	39.3	Very low	107 Å²	107	144.3 Å²	144.3	70%	0.695	79%	0.789	S	S	*	*			cis	-130.4	178.1	-23.6	24.8	-2.3	0	0	0	111.5
85	L	33	Very low	39.9	Very low	155 Å²	155	143.9 Å²	143.9	81%	0.812	79%	0.791	S	S	*	*				171.9	104.1	124.6	-87.1	164.9	0	0	0	111.5
86	R	39.2	Very low	40.3	Very low	234 Å²	234	141.2 Å²	141.2	88%	0.883	78%	0.776	S	S	*	*			trans	56.4	118.3	131.1	-122.5	173.8	-179.9	173.8	-0.5	120
87	E	46.2	Very low	40.9	Very low	184 Å²	184	136.3 Å²	136.3	86%	0.86	77%	0.771	S	S	*	*			trans	-42.6	135.7	168.9	-64.9	175.6	132.1	0	0	115
88	T	41.5	Very low	41.5	Very low	142 Å²	142	131.8 Å²	131.8	87%	0.871	76%	0.763	S	S	*	*			trans	-125.6	103.3	138.8	49.8	0	0	0	0	109.8	K90	T88-K90 PolarHBondContact O-N 3.13Å
89	R	47.1	Very low	42.4	Very low	243 Å²	243	136.9 Å²	136.9	92%	0.917	77%	0.768	S	S	*	*			trans	-51.6	102.7	164.1	-166	-178.4	-167.2	-172.5	4.5	110.5
90	K	42.9	Very low	43.2	Very low	197 Å²	197	137.5 Å²	137.5	86%	0.857	77%	0.771	S	S	*	*			trans	-158.6	111.7	151.7	-114.9	176.8	-177.6	-178.2	0	109.9	T88	T88-K90 PolarHBondContact O-N 3.13Å
91	D	41.8	Very low	43.9	Very low	117 Å²	117	133.3 Å²	133.3	63%	0.626	76%	0.761	S	S	*	*			trans	-69.3	120.4	174.6	-169.1	-8.7	0	0	0	109.6	F93	D91-F93 PolarHBondContact OD1-N 3.4Å
92	P	50.5	Low	44.7	Very low	95 Å²	95	131.4 Å²	131.4	62%	0.617	76%	0.758	S	S	*	*	S	Bend	trans	-85.5	-5.3	175.4	9.2	6.5	0	0	0	113.3
93	F	47.6	Very low	45.7	Very low	162 Å²	162	138.6 Å²	138.6	71%	0.711	76%	0.762	S	S	*	*	S	Bend	trans	-104.7	1.1	-168.1	-69.7	-72.3	0	0	0	115.6	D91 A95	D91-F93 PolarHBondContact OD1-N 3.4Å; F93-A95 PolarHBondContact O-N 3.22Å
94	S	44.4	Very low	46.7	Very low	103 Å²	103	140.3 Å²	140.3	72%	0.72	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	2.7	169.2	73.5	0	0	0	0	114.1
95	A	46.2	Very low	47.1	Very low	90 Å²	90	140 Å²	140	74%	0.744	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	0.2	-178.5	0	0	0	0	0	114.7	F93	F93-A95 PolarHBondContact O-N 3.22Å
96	A	44.3	Very low	49	Very low	58 Å²	58	134.3 Å²	134.3	48%	0.479	73%	0.729	S	S	.	*			trans	-115	12.2	-177.9	0	0	0	0	0	114.2	A98	A96-A98 PolarHBondContact O-N 3.02Å; A96-A98 VanDerWaalsContact O-N 3.13Å
97	A	43.8	Very low	51	Low	104 Å²	104	128.7 Å²	128.7	86%	0.86	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	13.6	173.9	0	0	0	0	0	113.8
98	A	46.2	Very low	52.5	Low	92 Å²	92	124 Å²	124	76%	0.76	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.7	-2	-178.6	0	0	0	0	0	114.8	A96	A96-A98 PolarHBondContact O-N 3.02Å; A96-A98 VanDerWaalsContact O-N 3.13Å
99	E	49.4	Very low	54.6	Low	180 Å²	180	121.7 Å²	121.7	84%	0.841	69%	0.685	S	S	*	*	S	Bend	trans	-130.3	30.6	-173.6	-77.4	-174	162.8	0	0	114.6
100	C	50	Low	56.5	Low	112 Å²	112	115.2 Å²	115.2	76%	0.757	67%	0.668	S	S	*	*			trans	-115.9	29.8	178.3	-144.3	0	0	0	0	114.1
101	S	49.9	Very low	58.7	Low	86 Å²	86	109.3 Å²	109.3	60%	0.601	65%	0.648	S	S	*	*	S	Bend	trans	-96.7	-24.1	172.1	-170.1	0	0	0	0	113.3	R103	S101-R103 PolarHBondContact O-N 3.47Å
102	C	52.5	Low	61	Low	111 Å²	111	107.1 Å²	107.1	75%	0.75	64%	0.639	S	S	*	*	H	α-helix	trans	-80.9	-10.5	-169.9	-66.1	0	0	0	0	115.4
103	R	53.9	Low	62.9	Low	224 Å²	224	105.1 Å²	105.1	85%	0.845	63%	0.63	S	S	*	*	H	α-helix	trans	-90.5	-23.1	-175.8	-140.7	177	-173.7	-175	1.4	113.6	S101	S101-R103 PolarHBondContact O-N 3.47Å
104	Q	55.8	Low	65.1	Low	151 Å²	151	101.1 Å²	101.1	71%	0.706	62%	0.622	S	S	*	*	H	α-helix	trans	-75.7	-36.6	175.7	-119.2	170.9	-25.5	0	0	111.5	T108	Q104-T108 PolarHBondContact O-N 3.07Å; Q104-T108 PolarHBondContact O-OG1 3.49Å
105	D	62.4	Low	67.5	Low	99 Å²	99	101.3 Å²	101.3	53%	0.529	61%	0.614	S	S	.	*	H	α-helix	trans	-66	-40.5	178.6	-67.7	-23.5	0	0	0	112.2	L107 T108 V109	D105-L107 PolarHBondContact O-N 2.68Å; D105-T108 PolarHBondContact O-N 2.92Å; D105-V109 WeakPolarHBondContact O-CB 3.35Å; D105-V109 WeakPolarHBondContact O-CG2 3.43Å; D105-V109 PolarHBondContact O-N 3.48Å
106	G	73.8	Confident	69.7	Low	36 Å²	36	101.3 Å²	101.3	37%	0.371	61%	0.605	S	S	.	*	H	α-helix	trans	-63.4	-42.1	179.7	0	0	0	0	0	113.7	V109 I110	G106-V109 PolarHBondContact O-N 3.44Å; G106-I110 WeakPolarHBondContact O-CD1 3.44Å; G106-I110 VanDerWaalsContact O-CG1 3.26Å; G106-I110 WeakPolarHBondContact O-CG1 3.19Å; G106-I110 PolarHBondContact O-N 2.95Å; G106-I110 VanDerWaalsContact O-N 3.07Å
107	L	80.6	Confident	72.2	Confident	117 Å²	117	106 Å²	106	61%	0.613	62%	0.615	S	S	*	*	H	α-helix	trans	-67.6	-43.4	177.8	-171.8	80.7	0	0	0	111.2	D105 V109 I110 V111	D105-L107 PolarHBondContact O-N 2.68Å; L107-V109 VanDerWaalsContact C-N 3.31Å; L107-V109 PolarHBondContact O-N 3.29Å; L107-I110 PolarHBondContact O-N 2.93Å; L107-V111 HydrophobicContact CG-CG2 4.45Å; L107-V111 WeakPolarHBondContact O-CG2 3.46Å; L107-V111 PolarHBondContact O-N 3.4Å
108	T	79.1	Confident	74.6	Confident	84 Å²	84	103.2 Å²	103.2	52%	0.515	59%	0.592	S	S	.	*	H	α-helix	trans	-63	-39.2	178.1	-56.8	0	0	0	0	111.4	Q104 D105 T112	Q104-T108 PolarHBondContact O-N 3.07Å; Q104-T108 PolarHBondContact O-OG1 3.49Å; D105-T108 PolarHBondContact O-N 2.92Å; T108-T112 HydrophobicContact CG2-CG2 4.38Å; T108-T112 WeakPolarHBondContact O-CB 3.26Å; T108-T112 VanDerWaalsContact O-CG2 3.3Å; T108-T112 WeakPolarHBondContact O-CG2 3.42Å; T108-T112 PolarHBondContact O-N 3.24Å; T108-T112 PolarHBondContact O-OG1 3.09Å
109	V	84.9	Confident	76.9	Confident	94 Å²	94	102.7 Å²	102.7	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-64.5	-42.3	175	170.9	0	0	0	0	111.6	D105 G106 L107 T112 A113	D105-V109 WeakPolarHBondContact O-CB 3.35Å; D105-V109 WeakPolarHBondContact O-CG2 3.43Å; D105-V109 PolarHBondContact O-N 3.48Å; G106-V109 PolarHBondContact O-N 3.44Å; L107-V109 VanDerWaalsContact C-N 3.31Å; L107-V109 PolarHBondContact O-N 3.29Å; V109-T112 WeakPolarHBondContact CA-OG1 3.3Å; V109-T112 PolarHBondContact O-OG1 2.99Å; V109-T112 VanDerWaalsContact O-OG1 3.09Å; V109-A113 WeakPolarHBondContact O-CB 3.35Å; V109-A113 PolarHBondContact O-N 2.88Å
110	I	87	Confident	79	Confident	108 Å²	108	96 Å²	96	55%	0.554	56%	0.559	S	S	*	*	H	α-helix	trans	-65.6	-47	177.8	-67.7	164.2	0	0	0	110.7	G106 L107 T112 A113 C114	G106-I110 WeakPolarHBondContact O-CD1 3.44Å; G106-I110 VanDerWaalsContact O-CG1 3.26Å; G106-I110 WeakPolarHBondContact O-CG1 3.19Å; G106-I110 PolarHBondContact O-N 2.95Å; G106-I110 VanDerWaalsContact O-N 3.07Å; L107-I110 PolarHBondContact O-N 2.93Å; I110-T112 PolarHBondContact O-N 2.89Å; I110-A113 PolarHBondContact O-N 3.33Å; I110-C114 WeakPolarHBondContact O-CB 3.22Å; I110-C114 PolarHBondContact O-N 2.93Å; I110-C114 PolarHBondContact O-SG 3.48Å
111	V	88.1	Confident	81.1	Confident	73 Å²	73	93.6 Å²	93.6	44%	0.442	54%	0.541	S	S	.	.	H	α-helix	trans	-64.9	-41.7	-178.7	171.9	0	0	0	0	111.2	L107 C114 L115	L107-V111 HydrophobicContact CG-CG2 4.45Å; L107-V111 WeakPolarHBondContact O-CG2 3.46Å; L107-V111 PolarHBondContact O-N 3.4Å; V111-C114 PolarHBondContact O-N 3.32Å; V111-L115 HydrophobicContact CG1-CD1 3.85Å; V111-L115 WeakPolarHBondContact O-CB 3.23Å; V111-L115 WeakPolarHBondContact O-CG 3.38Å; V111-L115 PolarHBondContact O-N 2.82Å
112	T	90.1	Very high	83.2	Confident	71 Å²	71	93.4 Å²	93.4	44%	0.436	54%	0.536	S	S	.	.	H	α-helix	trans	-68	-38.8	176.4	49.9	0	0	0	0	112.2	T108 V109 I110 L115 T116	T108-T112 HydrophobicContact CG2-CG2 4.38Å; T108-T112 WeakPolarHBondContact O-CB 3.26Å; T108-T112 VanDerWaalsContact O-CG2 3.3Å; T108-T112 WeakPolarHBondContact O-CG2 3.42Å; T108-T112 PolarHBondContact O-N 3.24Å; T108-T112 PolarHBondContact O-OG1 3.09Å; V109-T112 WeakPolarHBondContact CA-OG1 3.3Å; V109-T112 PolarHBondContact O-OG1 2.99Å; V109-T112 VanDerWaalsContact O-OG1 3.09Å; I110-T112 PolarHBondContact O-N 2.89Å; T112-L115 PolarHBondContact O-N 2.93Å; T112-T116 WeakPolarHBondContact O-CB 3.23Å; T112-T116 VanDerWaalsContact O-CG2 3.23Å; T112-T116 WeakPolarHBondContact O-CG2 3.36Å; T112-T116 PolarHBondContact O-N 3.41Å; T112-T116 PolarHBondContact O-OG1 2.96Å
113	A	91.8	Very high	85.2	Confident	52 Å²	52	92.3 Å²	92.3	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-63.6	-42.3	173	0	0	0	0	0	112.1	V109 I110 T116 F117	V109-A113 WeakPolarHBondContact O-CB 3.35Å; V109-A113 PolarHBondContact O-N 2.88Å; I110-A113 PolarHBondContact O-N 3.33Å; A113-T116 WeakPolarHBondContact CA-OG1 3.49Å; A113-T116 PolarHBondContact O-OG1 2.74Å; A113-F117 VanDerWaalsContact O-CB 3.23Å; A113-F117 WeakPolarHBondContact O-CB 3.38Å; A113-F117 PolarHBondContact O-N 2.91Å
114	C	92.8	Very high	86.8	Confident	79 Å²	79	84.2 Å²	84.2	53%	0.534	51%	0.507	S	S	.	.	H	α-helix	trans	-66.6	-43.2	176.6	-71.6	0	0	0	0	112.2	I110 V111 A118	I110-C114 WeakPolarHBondContact O-CB 3.22Å; I110-C114 PolarHBondContact O-N 2.93Å; I110-C114 PolarHBondContact O-SG 3.48Å; V111-C114 PolarHBondContact O-N 3.32Å; C114-A118 VanDerWaalsContact O-CB 3.22Å; C114-A118 WeakPolarHBondContact O-CB 3.35Å; C114-A118 PolarHBondContact O-N 3.49Å
115	L	94.2	Very high	88.3	Confident	106 Å²	106	81.5 Å²	81.5	56%	0.555	50%	0.497	S	S	*	.	H	α-helix	trans	-64.6	-46.6	177.5	-84.8	163	0	0	0	111.5	V111 T112 F117 A118 T119	V111-L115 HydrophobicContact CG1-CD1 3.85Å; V111-L115 WeakPolarHBondContact O-CB 3.23Å; V111-L115 WeakPolarHBondContact O-CG 3.38Å; V111-L115 PolarHBondContact O-N 2.82Å; T112-L115 PolarHBondContact O-N 2.93Å; L115-F117 PolarHBondContact O-N 2.87Å; L115-A118 PolarHBondContact O-N 2.85Å; L115-T119 WeakPolarHBondContact O-CB 3.39Å; L115-T119 WeakPolarHBondContact O-CG2 3.47Å; L115-T119 PolarHBondContact O-N 3.44Å; L115-T119 PolarHBondContact O-OG1 2.86Å
116	T	94.3	Very high	89.5	Confident	91 Å²	91	80.2 Å²	80.2	56%	0.558	49%	0.492	S	S	*	.	H	α-helix	trans	-62.7	-43.3	178.4	49.7	0	0	0	0	111.4	T112 A113 T119 G120	T112-T116 WeakPolarHBondContact O-CB 3.23Å; T112-T116 VanDerWaalsContact O-CG2 3.23Å; T112-T116 WeakPolarHBondContact O-CG2 3.36Å; T112-T116 PolarHBondContact O-N 3.41Å; T112-T116 PolarHBondContact O-OG1 2.96Å; A113-T116 WeakPolarHBondContact CA-OG1 3.49Å; A113-T116 PolarHBondContact O-OG1 2.74Å; T116-T119 WeakPolarHBondContact CA-OG1 3.22Å; T116-T119 PolarHBondContact O-N 3.19Å; T116-T119 PolarHBondContact O-OG1 3.35Å; T116-G120 PolarHBondContact O-N 3.48Å
117	F	94.9	Very high	89.9	Confident	155 Å²	155	83.4 Å²	83.4	68%	0.68	50%	0.499	S	S	*	.	H	α-helix	trans	-62.1	-48.5	174.1	-176.4	-100.3	0	0	0	111.9	A113 L115 T119 G120 V121	A113-F117 VanDerWaalsContact O-CB 3.23Å; A113-F117 WeakPolarHBondContact O-CB 3.38Å; A113-F117 PolarHBondContact O-N 2.91Å; L115-F117 PolarHBondContact O-N 2.87Å; F117-T119 PolarHBondContact O-N 2.85Å; F117-G120 PolarHBondContact O-N 3.49Å; F117-V121 HydrophobicContact CD1-CG2 4.14Å; F117-V121 HydrophobicContact CD2-CG2 4.44Å; F117-V121 HydrophobicContact CE1-CG2 3.76Å; F117-V121 HydrophobicContact CE2-CG2 4.09Å; F117-V121 HydrophobicContact CG-CG2 4.47Å; F117-V121 HydrophobicContact CZ-CG2 3.74Å; F117-V121 WeakPolarHBondContact O-CG2 3.34Å; F117-V121 PolarHBondContact O-N 2.87Å
118	A	94.3	Very high	89.9	Confident	47 Å²	47	83.3 Å²	83.3	39%	0.388	50%	0.495	S	S	.	.	H	α-helix	trans	-59.5	-46.8	178	0	0	0	0	0	111.2	C114 L115 G120 V121 T122	C114-A118 VanDerWaalsContact O-CB 3.22Å; C114-A118 WeakPolarHBondContact O-CB 3.35Å; C114-A118 PolarHBondContact O-N 3.49Å; L115-A118 PolarHBondContact O-N 2.85Å; A118-G120 VanDerWaalsContact C-N 3.34Å; A118-G120 PolarHBondContact O-N 2.82Å; A118-V121 PolarHBondContact O-N 2.61Å; A118-T122 WeakPolarHBondContact O-CB 3.25Å; A118-T122 PolarHBondContact O-N 3.41Å; A118-T122 PolarHBondContact O-OG1 2.88Å
119	T	94.6	Very high	89.7	Confident	80 Å²	80	85.7 Å²	85.7	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-40.4	176.1	51.5	0	0	0	0	112	L115 T116 F117 T122 V123	L115-T119 WeakPolarHBondContact O-CB 3.39Å; L115-T119 WeakPolarHBondContact O-CG2 3.47Å; L115-T119 PolarHBondContact O-N 3.44Å; L115-T119 PolarHBondContact O-OG1 2.86Å; T116-T119 WeakPolarHBondContact CA-OG1 3.22Å; T116-T119 PolarHBondContact O-N 3.19Å; T116-T119 PolarHBondContact O-OG1 3.35Å; F117-T119 PolarHBondContact O-N 2.85Å; T119-T122 PolarHBondContact O-N 3.45Å; T119-V123 WeakPolarHBondContact O-CB 3.26Å; T119-V123 VanDerWaalsContact O-CG2 3.26Å; T119-V123 WeakPolarHBondContact O-CG2 3.4Å; T119-V123 PolarHBondContact O-N 3.36Å
120	G	95.4	Very high	89.2	Confident	41 Å²	41	89.7 Å²	89.7	42%	0.423	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-45.5	177.9	0	0	0	0	0	112.2	T116 F117 A118 V123 A124	T116-G120 PolarHBondContact O-N 3.48Å; F117-G120 PolarHBondContact O-N 3.49Å; A118-G120 VanDerWaalsContact C-N 3.34Å; A118-G120 PolarHBondContact O-N 2.82Å; G120-V123 PolarHBondContact O-N 2.84Å; G120-A124 VanDerWaalsContact O-CB 3.25Å; G120-A124 WeakPolarHBondContact O-CB 3.28Å; G120-A124 PolarHBondContact O-N 3.41Å
121	V	93.8	Very high	88.8	Confident	60 Å²	60	92.3 Å²	92.3	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-63.9	-42.8	175.3	173.3	0	0	0	0	110.9	F117 A118 A124 L125	F117-V121 HydrophobicContact CD1-CG2 4.14Å; F117-V121 HydrophobicContact CD2-CG2 4.44Å; F117-V121 HydrophobicContact CE1-CG2 3.76Å; F117-V121 HydrophobicContact CE2-CG2 4.09Å; F117-V121 HydrophobicContact CG-CG2 4.47Å; F117-V121 HydrophobicContact CZ-CG2 3.74Å; F117-V121 WeakPolarHBondContact O-CG2 3.34Å; F117-V121 PolarHBondContact O-N 2.87Å; A118-V121 PolarHBondContact O-N 2.61Å; V121-A124 PolarHBondContact O-N 2.88Å; V121-L125 HydrophobicContact CG1-CD1 3.9Å; V121-L125 HydrophobicContact CG1-CG 4.37Å; V121-L125 WeakPolarHBondContact O-CB 3.24Å; V121-L125 WeakPolarHBondContact O-CG 3.41Å; V121-L125 PolarHBondContact O-N 2.86Å
122	T	93.6	Very high	87.4	Confident	82 Å²	82	90.3 Å²	90.3	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-65.2	-44.9	-180	-44.2	0	0	0	0	110.9	A118 T119 L125 V126	A118-T122 WeakPolarHBondContact O-CB 3.25Å; A118-T122 PolarHBondContact O-N 3.41Å; A118-T122 PolarHBondContact O-OG1 2.88Å; T119-T122 PolarHBondContact O-N 3.45Å; T122-L125 PolarHBondContact O-N 3.4Å; T122-V126 WeakPolarHBondContact O-CB 3.28Å; T122-V126 VanDerWaalsContact O-CG2 3.26Å; T122-V126 WeakPolarHBondContact O-CG2 3.36Å; T122-V126 PolarHBondContact O-N 2.79Å
123	V	93.5	Very high	85.5	Confident	88 Å²	88	93.8 Å²	93.8	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-64.8	-41.1	176.5	171.2	0	0	0	0	111	T119 G120 V126 M127	T119-V123 WeakPolarHBondContact O-CB 3.26Å; T119-V123 VanDerWaalsContact O-CG2 3.26Å; T119-V123 WeakPolarHBondContact O-CG2 3.4Å; T119-V123 PolarHBondContact O-N 3.36Å; G120-V123 PolarHBondContact O-N 2.84Å; V123-V126 PolarHBondContact O-N 3.27Å; V123-M127 HydrophobicContact CG1-CG 4.24Å; V123-M127 VanDerWaalsContact O-CB 3.28Å; V123-M127 WeakPolarHBondContact O-CB 3.39Å; V123-M127 VanDerWaalsContact O-CG 3.24Å; V123-M127 WeakPolarHBondContact O-CG 3.4Å; V123-M127 PolarHBondContact O-N 3.39Å
124	A	88	Confident	83.5	Confident	54 Å²	54	96.5 Å²	96.5	45%	0.446	54%	0.541	S	S	.	.	H	α-helix	trans	-62.3	-44.4	175.5	0	0	0	0	0	111.9	G120 V121 M127 Q128	G120-A124 VanDerWaalsContact O-CB 3.25Å; G120-A124 WeakPolarHBondContact O-CB 3.28Å; G120-A124 PolarHBondContact O-N 3.41Å; V121-A124 PolarHBondContact O-N 2.88Å; A124-M127 PolarHBondContact O-N 3.43Å; A124-Q128 VanDerWaalsContact O-CB 3.28Å; A124-Q128 WeakPolarHBondContact O-CB 3.26Å; A124-Q128 PolarHBondContact O-N 2.97Å
125	L	86.8	Confident	81.2	Confident	95 Å²	95	100.4 Å²	100.4	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-63.6	-44.4	176	-75.6	170.6	0	0	0	111.8	V121 T122 Q128 I129	V121-L125 HydrophobicContact CG1-CD1 3.9Å; V121-L125 HydrophobicContact CG1-CG 4.37Å; V121-L125 WeakPolarHBondContact O-CB 3.24Å; V121-L125 WeakPolarHBondContact O-CG 3.41Å; V121-L125 PolarHBondContact O-N 2.86Å; T122-L125 PolarHBondContact O-N 3.4Å; L125-Q128 PolarHBondContact O-N 3.18Å; L125-I129 WeakPolarHBondContact O-CD1 3.41Å; L125-I129 VanDerWaalsContact O-CG1 3.23Å; L125-I129 WeakPolarHBondContact O-CG1 3.33Å; L125-I129 PolarHBondContact O-N 3.37Å
126	V	87.4	Confident	79.1	Confident	71 Å²	71	102.2 Å²	102.2	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-63.2	-45.2	176.1	171.8	0	0	0	0	110.7	T122 V123 Q128 I129 Y130	T122-V126 WeakPolarHBondContact O-CB 3.28Å; T122-V126 VanDerWaalsContact O-CG2 3.26Å; T122-V126 WeakPolarHBondContact O-CG2 3.36Å; T122-V126 PolarHBondContact O-N 2.79Å; V123-V126 PolarHBondContact O-N 3.27Å; V126-Q128 VanDerWaalsContact C-N 3.29Å; V126-Q128 PolarHBondContact O-N 3.05Å; V126-I129 PolarHBondContact O-N 3.46Å; V126-Y130 HydrophobicContact CG1-CD2 3.81Å; V126-Y130 HydrophobicContact CG1-CE2 4.07Å; V126-Y130 WeakPolarHBondContact O-CD2 3.48Å; V126-Y130 PolarHBondContact O-N 3.32Å
127	M	84.1	Confident	77	Confident	103 Å²	103	104.7 Å²	104.7	51%	0.507	56%	0.563	S	S	.	*	H	α-helix	trans	-61.3	-38.4	175.6	-76.6	-71.9	180	0	0	111.8	V123 A124 Y130 F131 G132	V123-M127 HydrophobicContact CG1-CG 4.24Å; V123-M127 VanDerWaalsContact O-CB 3.28Å; V123-M127 WeakPolarHBondContact O-CB 3.39Å; V123-M127 VanDerWaalsContact O-CG 3.24Å; V123-M127 WeakPolarHBondContact O-CG 3.4Å; V123-M127 PolarHBondContact O-N 3.39Å; A124-M127 PolarHBondContact O-N 3.43Å; M127-Y130 PolarHBondContact O-N 2.91Å; M127-F131 HydrophobicContact CE-CE2 4.34Å; M127-F131 WeakPolarHBondContact O-CA 3.23Å; M127-F131 WeakPolarHBondContact O-CB 3.36Å; M127-F131 PolarHBondContact O-N 3Å; M127-F131 HydrophobicContact SD-CD2 3.39Å; M127-F131 WeakPolarHBondContact SD-CD2 3.41Å; M127-F131 HydrophobicContact SD-CE2 3.41Å; M127-F131 WeakPolarHBondContact SD-CE2 3.48Å; M127-G132 PolarHBondContact O-N 2.9Å
128	Q	78.6	Confident	75.1	Confident	115 Å²	115	100.7 Å²	100.7	54%	0.537	55%	0.547	S	S	.	.	H	α-helix	trans	-69.8	-32.1	176.3	-168	170.8	-5.1	0	0	112.5	A124 L125 V126 G132	A124-Q128 VanDerWaalsContact O-CB 3.28Å; A124-Q128 WeakPolarHBondContact O-CB 3.26Å; A124-Q128 PolarHBondContact O-N 2.97Å; L125-Q128 PolarHBondContact O-N 3.18Å; V126-Q128 VanDerWaalsContact C-N 3.29Å; V126-Q128 PolarHBondContact O-N 3.05Å; Q128-G132 VanDerWaalsContact O-CA 3.24Å; Q128-G132 WeakPolarHBondContact O-CA 3.24Å; Q128-G132 PolarHBondContact O-N 3.33Å
129	I	76.1	Confident	74.5	Confident	134 Å²	134	101 Å²	101	69%	0.687	54%	0.54	S	S	*	.	H	α-helix	trans	-70.5	-38.6	173.8	-70.3	163.4	0	0	0	111.5	L125 V126	L125-I129 WeakPolarHBondContact O-CD1 3.41Å; L125-I129 VanDerWaalsContact O-CG1 3.23Å; L125-I129 WeakPolarHBondContact O-CG1 3.33Å; L125-I129 PolarHBondContact O-N 3.37Å; V126-I129 PolarHBondContact O-N 3.46Å
130	Y	75.2	Confident	74.3	Confident	179 Å²	179	97.2 Å²	97.2	70%	0.702	52%	0.517	S	S	*	.	H	α-helix	trans	-90.8	-31.3	-175.5	-84.4	-84.5	0	0	0	114.6	V126 M127	V126-Y130 HydrophobicContact CG1-CD2 3.81Å; V126-Y130 HydrophobicContact CG1-CE2 4.07Å; V126-Y130 WeakPolarHBondContact O-CD2 3.48Å; V126-Y130 PolarHBondContact O-N 3.32Å; M127-Y130 PolarHBondContact O-N 2.91Å
131	F	77.1	Confident	74.3	Confident	162 Å²	162	95.3 Å²	95.3	71%	0.711	50%	0.497	S	S	*	.	H	α-helix	trans	-127.7	-6	-172.6	-56.6	-77.3	0	0	0	114	M127	M127-F131 HydrophobicContact CE-CE2 4.34Å; M127-F131 WeakPolarHBondContact O-CA 3.23Å; M127-F131 WeakPolarHBondContact O-CB 3.36Å; M127-F131 PolarHBondContact O-N 3Å; M127-F131 HydrophobicContact SD-CD2 3.39Å; M127-F131 WeakPolarHBondContact SD-CD2 3.41Å; M127-F131 HydrophobicContact SD-CE2 3.41Å; M127-F131 WeakPolarHBondContact SD-CE2 3.48Å
132	G	59.8	Low	74.5	Confident	32 Å²	32	92.4 Å²	92.4	33%	0.33	48%	0.479	S	S	.	.	S	Bend	trans	-73.6	156.5	172.5	0	0	0	0	0	111.4	M127 Q128	M127-G132 PolarHBondContact O-N 2.9Å; Q128-G132 VanDerWaalsContact O-CA 3.24Å; Q128-G132 WeakPolarHBondContact O-CA 3.24Å; Q128-G132 PolarHBondContact O-N 3.33Å
133	D	49.1	Very low	74.7	Confident	143 Å²	143	88.6 Å²	88.6	77%	0.765	46%	0.456	S	S	*	.			trans	-57	133.9	169.9	-65.5	-45.5	0	0	0	109.3	Q135	D133-Q135 PolarHBondContact O-N 3.06Å
134	P	49.3	Very low	74.9	Confident	110 Å²	110	84.4 Å²	84.4	71%	0.714	43%	0.43	S	S	*	.			trans	-56.8	115.1	177.9	21.3	-30.5	0	0	0	109.6	I136	P134-I136 PolarHBondContact O-N 3.27Å
135	Q	46.3	Very low	75.3	Confident	161 Å²	161	82.6 Å²	82.6	75%	0.752	41%	0.413	S	S	*	.	S	Bend	trans	-73.8	-8.8	177.2	-65.9	-89.6	-38.6	0	0	112.2	D133	D133-Q135 PolarHBondContact O-N 3.06Å
136	I	48.3	Very low	75.8	Confident	144 Å²	144	78.2 Å²	78.2	74%	0.738	39%	0.391	S	S	*	.	S	Bend	trans	-98.4	99.1	174.2	-55.2	172.4	0	0	0	106.5	P134 Q138	P134-I136 PolarHBondContact O-N 3.27Å; I136-Q138 PolarHBondContact O-N 2.98Å
137	F	50.6	Low	76.2	Confident	142 Å²	142	77.2 Å²	77.2	62%	0.623	39%	0.39	S	S	*	.			trans	-61.7	129	164.1	-66.1	-89	0	0	0	108.3	Q139 L662	F137-Q139 VanDerWaalsContact C-N 3.27Å; F137-Q139 PolarHBondContact O-N 2.88Å; F137-L662 WeakPolarHBondContact CB-OXT 3.46Å; F137-L662 WeakPolarHBondContact CD1-O 3.4Å
138	Q	55.8	Low	76.9	Confident	72 Å²	72	78.3 Å²	78.3	34%	0.336	39%	0.388	S	S	.	.			trans	-70.1	93	173.6	-73.2	-151.7	-12.9	0	0	108	I136 G140 L157 I661	I136-Q138 PolarHBondContact O-N 2.98Å; Q138-G140 PolarHBondContact O-N 2.98Å; Q138-L157 PolarHBondContact OE1-O 2.86Å; Q138-I661 HydrophobicContact CB-CG2 4.44Å; Q138-I661 CarbonylContact O-C 3.54Å; Q138-I661 WeakPolarHBondContact O-CB 3.2Å; Q138-I661 WeakPolarHBondContact O-CG2 3.32Å
139	Q	80.6	Confident	77.8	Confident	54 Å²	54	72.8 Å²	72.8	25%	0.252	36%	0.363	S	S	.	.			trans	-78.7	123.1	175.2	-65.4	-178.1	-20.6	0	0	108.7	F137 G480 P481 N643 I645 I661	F137-Q139 VanDerWaalsContact C-N 3.27Å; F137-Q139 PolarHBondContact O-N 2.88Å; Q139-G480 CarbonylContact O-C 3.56Å; Q139-P481 WeakPolarHBondContact O-CD 3.45Å; Q139-N643 PolarHBondContact NE2-O 3.32Å; Q139-N643 VanDerWaalsContact OE1-C 3.25Å; Q139-N643 PolarHBondContact OE1-O 3.2Å; Q139-I645 HydrophobicContact CB-CD1 4.01Å; Q139-I645 HydrophobicContact CB-CG1 4.35Å; Q139-I661 WeakPolarHBondContact CA-O 3.39Å
140	G	90.4	Very high	78.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	147	176.7	0	0	0	0	0	110.5	Q138 M479 T660 I661	Q138-G140 PolarHBondContact O-N 2.98Å; G140-M479 CarbonylContact C-O 3.59Å; G140-M479 WeakPolarHBondContact CA-O 3.33Å; G140-T660 CarbonylContact O-C 3.54Å; G140-T660 WeakPolarHBondContact O-CA 3.41Å; G140-T660 WeakPolarHBondContact O-CG2 3.44Å; G140-I661 PolarHBondContact N-O 3.46Å; G140-I661 PolarHBondContact O-N 2.75Å
141	A	95	Very high	79.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.6	174.8	0	0	0	0	0	109.5	I478 M479 I645 A647 A659	A141-I478 VanDerWaalsContact O-CA 3.29Å; A141-I478 WeakPolarHBondContact O-CA 3.49Å; A141-M479 PolarHBondContact N-O 3.29Å; A141-M479 PolarHBondContact O-N 2.98Å; A141-I645 HydrophobicContact CB-CB 4.33Å; A141-I645 HydrophobicContact CB-CG2 3.34Å; A141-A647 HydrophobicContact CB-CB 3.8Å; A141-A659 WeakPolarHBondContact CA-O 3.4Å
142	V	97.9	Very high	80.9	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.8	177.5	-179.3	0	0	0	0	107.9	T144 T150 I154 L157 L477 I478 A647 G658 A659	V142-T144 HydrophobicContact CG1-CG2 4.24Å; V142-T150 HydrophobicContact CB-CG2 4.22Å; V142-T150 HydrophobicContact CG1-CG2 4.09Å; V142-T150 WeakPolarHBondContact O-CG2 3.37Å; V142-I154 HydrophobicContact CB-CD1 4.01Å; V142-I154 HydrophobicContact CB-CG1 4.12Å; V142-I154 HydrophobicContact CG2-CD1 3.64Å; V142-I154 HydrophobicContact CG2-CG1 3.97Å; V142-L157 HydrophobicContact CG2-CD1 3.68Å; V142-L477 CarbonylContact C-O 3.51Å; V142-L477 WeakPolarHBondContact CA-O 3.44Å; V142-I478 HydrophobicContact CB-CG1 4.37Å; V142-I478 HydrophobicContact CG1-CD1 4.19Å; V142-I478 HydrophobicContact CG1-CG1 4.04Å; V142-I478 HydrophobicContact CG2-CD1 4.31Å; V142-I478 HydrophobicContact CG2-CG1 4.13Å; V142-I478 HydrophobicContact CG2-CG2 4.38Å; V142-A647 WeakPolarHBondContact O-CB 3.45Å; V142-G658 CarbonylContact O-C 3.19Å; V142-G658 WeakPolarHBondContact O-CA 3.17Å; V142-A659 PolarHBondContact N-O 2.95Å; V142-A659 PolarHBondContact O-N 3.14Å
143	V	98.3	Very high	82.8	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.3	171.5	-171.6	0	0	0	0	109	L477 H636 A647 K649 A657	V143-L477 HydrophobicContact CB-CB 4.23Å; V143-L477 PolarHBondContact N-O 2.98Å; V143-L477 PolarHBondContact O-N 3.1Å; V143-H636 HydrophobicContact CG1-CB 3.81Å; V143-A647 HydrophobicContact CG2-CB 3.36Å; V143-K649 HydrophobicContact CG1-CB 4.48Å; V143-A657 WeakPolarHBondContact CA-O 3.43Å
144	T	98.2	Very high	85.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	163.9	173.9	66.3	0	0	0	0	111.1	V142 A146 C149 T150 A170 L174 Q475 V476 A656 A657	V142-T144 HydrophobicContact CG1-CG2 4.24Å; T144-A146 PolarHBondContact O-N 2.91Å; T144-A146 VanDerWaalsContact O-N 3.14Å; T144-A146 PolarHBondContact OG1-O 3.09Å; T144-C149 HydrophobicContact CG2-CB 4.46Å; T144-T150 PolarHBondContact OG1-N 3.37Å; T144-T150 PolarHBondContact OG1-OG1 3.31Å; T144-A170 HydrophobicContact CG2-CB 4.03Å; T144-L174 HydrophobicContact CG2-CD1 4.47Å; T144-Q475 WeakPolarHBondContact CA-O 3.36Å; T144-V476 HydrophobicContact CG2-CG1 4.28Å; T144-V476 HydrophobicContact CG2-CG2 4.2Å; T144-A656 WeakPolarHBondContact O-CA 3.37Å; T144-A656 WeakPolarHBondContact O-CB 3.42Å; T144-A657 PolarHBondContact N-O 3.34Å; T144-A657 VanDerWaalsContact N-O 3.17Å; T144-A657 PolarHBondContact O-N 3.38Å; T144-A657 VanDerWaalsContact O-N 3.1Å
145	D	96	Very high	87.3	Confident	16 Å²	16	46.1 Å²	46.1	9%	0.086	23%	0.23	C	C	.	.	S	Bend	trans	-70.5	-6.1	177.9	-47	-69.9	0	0	0	114.6	L174 A474 Q475 H636 D655 A656	D145-L174 HydrophobicContact CB-CD2 4.48Å; D145-A474 WeakPolarHBondContact OD2-CA 3.4Å; D145-Q475 PolarHBondContact OD1-NE2 2.99Å; D145-Q475 PolarHBondContact OD2-N 3.29Å; D145-H636 IonicContact OD1-CD2 3.82Å; D145-H636 PolarHBondContact OD1-CD2 3.31Å; D145-H636 VanDerWaalsContact OD1-CD2 3.27Å; D145-H636 IonicContact OD1-NE2 3.47Å; D145-H636 PolarHBondContact OD1-NE2 3.33Å; D145-H636 VanDerWaalsContact OD1-NE2 3.11Å; D145-D655 CarbonylContact O-C 3.6Å; D145-D655 VanDerWaalsContact O-C 3.23Å; D145-A656 VanDerWaalsContact C-CA 3.49Å; D145-A656 VanDerWaalsContact O-CA 3.3Å; D145-A656 WeakPolarHBondContact O-CA 3.24Å; D145-A656 PolarHBondContact O-N 3.14Å; D145-A656 VanDerWaalsContact O-N 3.12Å
146	A	96.9	Very high	89.8	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.033	19%	0.194	C	C	.	.	S	Bend	trans	-134	127	175.5	0	0	0	0	0	112.6	T144 R148 C149 T150 L174 V177 D655	T144-A146 PolarHBondContact O-N 2.91Å; T144-A146 VanDerWaalsContact O-N 3.14Å; T144-A146 PolarHBondContact OG1-O 3.09Å; A146-R148 PolarHBondContact O-N 2.85Å; A146-R148 VanDerWaalsContact O-N 3.11Å; A146-C149 PolarHBondContact O-N 3.46Å; A146-T150 PolarHBondContact O-N 2.87Å; A146-T150 PolarHBondContact O-OG1 3.39Å; A146-L174 HydrophobicContact CB-CD2 3.77Å; A146-V177 HydrophobicContact CB-CG2 3.55Å; A146-D655 WeakPolarHBondContact CA-O 3.27Å
147	A	96.9	Very high	92	Very high	50 Å²	50	31.7 Å²	31.7	41%	0.413	16%	0.159	S	C	.	.	H	α-helix	trans	-54.1	-34.5	-179.1	0	0	0	0	0	114.8	T150 S151 D655 A657	A147-T150 PolarHBondContact O-N 2.99Å; A147-S151 PolarHBondContact O-N 2.93Å; A147-S151 PolarHBondContact O-OG 3.45Å; A147-D655 PolarHBondContact N-O 2.82Å; A147-A657 HydrophobicContact CB-CB 3.76Å
148	R	97.6	Very high	94	Very high	125 Å²	125	28 Å²	28	47%	0.472	15%	0.151	S	C	.	.	H	α-helix	trans	-62.7	-41.2	175.9	-179.5	58.5	177.5	-172	0.7	111.8	A146 S151 L152 V261	A146-R148 PolarHBondContact O-N 2.85Å; A146-R148 VanDerWaalsContact O-N 3.11Å; R148-S151 PolarHBondContact O-N 3.28Å; R148-L152 PolarHBondContact O-N 3.14Å; R148-V261 HydrophobicContact CG-CG1 4.31Å
149	C	98.4	Very high	95.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-78.5	-29.9	-179.4	-56.2	0	0	0	0	112.5	T144 A146 S151 L152 G153 C173 L174 V177	T144-C149 HydrophobicContact CG2-CB 4.46Å; A146-C149 PolarHBondContact O-N 3.46Å; C149-S151 VanDerWaalsContact C-N 3.32Å; C149-L152 PolarHBondContact O-N 2.89Å; C149-G153 PolarHBondContact O-N 2.98Å; C149-C173 WeakPolarHBondContact CA-SG 3.15Å; C149-C173 HydrophobicContact CB-CB 3.74Å; C149-C173 WeakPolarHBondContact CB-SG 3.27Å; C149-C173 WeakPolarHBondContact SG-CB 3.43Å; C149-C173 PolarHBondContact SG-O 2.89Å; C149-C173 CovalentContact SG-SG 2.05Å; C149-C173 PolarHBondContact SG-SG 3.18Å; C149-L174 HydrophobicContact CB-CD2 4.04Å; C149-L174 HydrophobicContact CB-CG 4.07Å; C149-L174 PolarHBondContact SG-N 3.43Å; C149-V177 WeakPolarHBondContact SG-CG2 3.5Å
150	T	98.4	Very high	96.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-47.2	167.4	-53.1	0	0	0	0	110.4	V142 T144 A146 A147 L152 G153 I154 A657 A659	V142-T150 HydrophobicContact CB-CG2 4.22Å; V142-T150 HydrophobicContact CG1-CG2 4.09Å; V142-T150 WeakPolarHBondContact O-CG2 3.37Å; T144-T150 PolarHBondContact OG1-N 3.37Å; T144-T150 PolarHBondContact OG1-OG1 3.31Å; A146-T150 PolarHBondContact O-N 2.87Å; A146-T150 PolarHBondContact O-OG1 3.39Å; A147-T150 PolarHBondContact O-N 2.99Å; T150-L152 VanDerWaalsContact C-N 3.32Å; T150-L152 PolarHBondContact O-N 2.66Å; T150-G153 PolarHBondContact O-N 3.45Å; T150-I154 WeakPolarHBondContact O-CG1 3.06Å; T150-I154 PolarHBondContact O-N 3.4Å; T150-I154 VanDerWaalsContact O-N 3.08Å; T150-A657 HydrophobicContact CG2-CB 4.22Å; T150-A657 PolarHBondContact OG1-O 3.45Å; T150-A657 VanDerWaalsContact OG1-O 3.06Å; T150-A659 HydrophobicContact CG2-CB 3.64Å
151	S	97.7	Very high	96.8	Very high	71 Å²	71	34 Å²	34	50%	0.497	18%	0.178	S	C	.	.	H	α-helix	trans	-62.9	-39.7	178.7	-55.1	0	0	0	0	111.8	A147 R148 C149 I154 E155	A147-S151 PolarHBondContact O-N 2.93Å; A147-S151 PolarHBondContact O-OG 3.45Å; R148-S151 PolarHBondContact O-N 3.28Å; C149-S151 VanDerWaalsContact C-N 3.32Å; S151-I154 PolarHBondContact O-N 3.2Å; S151-E155 PolarHBondContact O-N 2.97Å
152	L	98.3	Very high	96.9	Very high	7 Å²	7	34 Å²	34	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-43.6	175.7	-168.2	70.1	0	0	0	112.1	R148 C149 T150 I154 E155 V156 A169 C173 F257 V261	R148-L152 PolarHBondContact O-N 3.14Å; C149-L152 PolarHBondContact O-N 2.89Å; T150-L152 VanDerWaalsContact C-N 3.32Å; T150-L152 PolarHBondContact O-N 2.66Å; L152-I154 VanDerWaalsContact C-N 3.31Å; L152-I154 PolarHBondContact O-N 3.48Å; L152-E155 WeakPolarHBondContact O-CB 3.47Å; L152-E155 PolarHBondContact O-N 2.87Å; L152-E155 VanDerWaalsContact O-N 3.14Å; L152-V156 WeakPolarHBondContact O-CG2 3.5Å; L152-V156 PolarHBondContact O-N 3.47Å; L152-A169 HydrophobicContact CD2-CB 4.33Å; L152-C173 HydrophobicContact CD2-CB 3.59Å; L152-F257 HydrophobicContact CD1-CB 3.98Å; L152-F257 HydrophobicContact CD1-CD1 4.41Å; L152-F257 HydrophobicContact CD2-CB 4.42Å; L152-F257 HydrophobicContact CG-CB 4.37Å; L152-V261 HydrophobicContact CD1-CG2 4.25Å; L152-V261 HydrophobicContact CD2-CG2 4.12Å
153	G	98.1	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-40.7	175.8	0	0	0	0	0	112.3	C149 T150 E155 V156 L157	C149-G153 PolarHBondContact O-N 2.98Å; T150-G153 PolarHBondContact O-N 3.45Å; G153-E155 VanDerWaalsContact C-N 3.34Å; G153-V156 PolarHBondContact O-N 2.98Å; G153-L157 WeakPolarHBondContact O-CG 3.37Å; G153-L157 PolarHBondContact O-N 3.37Å
154	I	97.2	Very high	96.9	Very high	35 Å²	35	34 Å²	34	18%	0.179	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-41.8	173.5	-66.4	-71.4	0	0	0	111.3	V142 T150 S151 L152 V156 L157 S158 A659 I661	V142-I154 HydrophobicContact CB-CD1 4.01Å; V142-I154 HydrophobicContact CB-CG1 4.12Å; V142-I154 HydrophobicContact CG2-CD1 3.64Å; V142-I154 HydrophobicContact CG2-CG1 3.97Å; T150-I154 WeakPolarHBondContact O-CG1 3.06Å; T150-I154 PolarHBondContact O-N 3.4Å; T150-I154 VanDerWaalsContact O-N 3.08Å; S151-I154 PolarHBondContact O-N 3.2Å; L152-I154 VanDerWaalsContact C-N 3.31Å; L152-I154 PolarHBondContact O-N 3.48Å; I154-V156 PolarHBondContact O-N 3.22Å; I154-L157 PolarHBondContact O-N 3.06Å; I154-S158 WeakPolarHBondContact O-CB 3.24Å; I154-S158 PolarHBondContact O-N 3.13Å; I154-A659 HydrophobicContact CD1-CB 3.9Å; I154-A659 HydrophobicContact CG1-CB 3.74Å; I154-I661 HydrophobicContact CD1-CD1 4.07Å; I154-I661 HydrophobicContact CD1-CG1 3.56Å; I154-I661 HydrophobicContact CG2-CD1 3.95Å; I154-I661 HydrophobicContact CG2-CG1 3.86Å
155	E	96.4	Very high	96.9	Very high	86 Å²	86	34 Å²	34	40%	0.402	18%	0.178	S	C	.	.	H	α-helix	trans	-59.2	-47	175.9	-175.1	179.5	168.3	0	0	111.1	S151 L152 G153 L157 S158 K159 F257	S151-E155 PolarHBondContact O-N 2.97Å; L152-E155 WeakPolarHBondContact O-CB 3.47Å; L152-E155 PolarHBondContact O-N 2.87Å; L152-E155 VanDerWaalsContact O-N 3.14Å; G153-E155 VanDerWaalsContact C-N 3.34Å; E155-L157 PolarHBondContact O-N 3.25Å; E155-S158 WeakPolarHBondContact O-CB 3.22Å; E155-S158 PolarHBondContact O-N 3.15Å; E155-S158 VanDerWaalsContact O-N 3.14Å; E155-S158 PolarHBondContact O-OG 3.21Å; E155-K159 WeakPolarHBondContact O-CG 3.14Å; E155-K159 PolarHBondContact O-N 3.49Å; E155-F257 HydrophobicContact CG-CE1 4.24Å
156	V	97.8	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-44.9	177.9	175.4	0	0	0	0	111.7	L152 G153 I154 S158 K159 G161 D165 A166 A169 L249 F257	L152-V156 WeakPolarHBondContact O-CG2 3.5Å; L152-V156 PolarHBondContact O-N 3.47Å; G153-V156 PolarHBondContact O-N 2.98Å; I154-V156 PolarHBondContact O-N 3.22Å; V156-S158 VanDerWaalsContact C-N 3.33Å; V156-S158 PolarHBondContact O-N 3.36Å; V156-K159 CarbonylContact O-C 3.54Å; V156-K159 PolarHBondContact O-N 2.95Å; V156-G161 PolarHBondContact O-N 3.38Å; V156-D165 HydrophobicContact CG1-CB 3.85Å; V156-A166 HydrophobicContact CB-CB 4.08Å; V156-A166 HydrophobicContact CG1-CB 4.02Å; V156-A169 HydrophobicContact CG2-CB 3.73Å; V156-L249 HydrophobicContact CG1-CD1 4.12Å; V156-F257 HydrophobicContact CG2-CB 4.36Å; V156-F257 HydrophobicContact CG2-CD1 4.34Å; V156-F257 HydrophobicContact CG2-CD2 3.64Å; V156-F257 HydrophobicContact CG2-CE2 3.92Å; V156-F257 HydrophobicContact CG2-CG 3.88Å; V156-F257 HydrophobicContact CG2-CZ 4.38Å
157	L	95.5	Very high	97.1	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-44.2	174.2	-69.9	178.4	0	0	0	111.5	Q138 V142 G153 I154 E155 K159 Q160 A166 I478 I661	Q138-L157 PolarHBondContact OE1-O 2.86Å; V142-L157 HydrophobicContact CG2-CD1 3.68Å; G153-L157 WeakPolarHBondContact O-CG 3.37Å; G153-L157 PolarHBondContact O-N 3.37Å; I154-L157 PolarHBondContact O-N 3.06Å; E155-L157 PolarHBondContact O-N 3.25Å; L157-K159 PolarHBondContact O-N 3.48Å; L157-Q160 WeakPolarHBondContact O-CA 3.33Å; L157-Q160 PolarHBondContact O-N 3.06Å; L157-A166 HydrophobicContact CD2-CB 3.88Å; L157-A166 HydrophobicContact CG-CB 3.82Å; L157-I478 HydrophobicContact CD1-CG2 4.29Å; L157-I661 HydrophobicContact CB-CD1 3.77Å; L157-I661 HydrophobicContact CD1-CD1 4.27Å
158	S	93.4	Very high	97.2	Very high	64 Å²	64	30.7 Å²	30.7	45%	0.448	15%	0.153	S	C	.	.	H	α-helix	trans	-64.2	-27.4	178.7	80.9	0	0	0	0	113.4	I154 E155 V156 Q160	I154-S158 WeakPolarHBondContact O-CB 3.24Å; I154-S158 PolarHBondContact O-N 3.13Å; E155-S158 WeakPolarHBondContact O-CB 3.22Å; E155-S158 PolarHBondContact O-N 3.15Å; E155-S158 VanDerWaalsContact O-N 3.14Å; E155-S158 PolarHBondContact O-OG 3.21Å; V156-S158 VanDerWaalsContact C-N 3.33Å; V156-S158 PolarHBondContact O-N 3.36Å; S158-Q160 PolarHBondContact O-N 3.07Å
159	K	94.1	Very high	97.3	Very high	120 Å²	120	24.7 Å²	24.7	52%	0.522	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	18.4	172.4	-63.7	-64.5	-175.8	-177.5	0	112.6	E155 V156 L157 G161 F257	E155-K159 WeakPolarHBondContact O-CG 3.14Å; E155-K159 PolarHBondContact O-N 3.49Å; V156-K159 CarbonylContact O-C 3.54Å; V156-K159 PolarHBondContact O-N 2.95Å; L157-K159 PolarHBondContact O-N 3.48Å; K159-G161 PolarHBondContact O-N 3.36Å; K159-F257 HydrophobicContact CB-CZ 4.29Å; K159-F257 HydrophobicContact CG-CE1 4.46Å; K159-F257 HydrophobicContact CG-CZ 4.09Å
160	Q	93.1	Very high	97.3	Very high	131 Å²	131	24.7 Å²	24.7	61%	0.612	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	18.5	178.8	-51.7	179.4	-0.7	0	0	114.3	L157 S158 R248	L157-Q160 WeakPolarHBondContact O-CA 3.33Å; L157-Q160 PolarHBondContact O-N 3.06Å; S158-Q160 PolarHBondContact O-N 3.07Å; Q160-R248 WeakPolarHBondContact O-CD 3.29Å; Q160-R248 PolarHBondContact O-NH1 2.89Å
161	G	96.7	Very high	97.3	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.021	13%	0.13	C	C	.	.			trans	-64.1	159.7	169.5	0	0	0	0	0	112.5	V156 K159	V156-G161 PolarHBondContact O-N 3.38Å; K159-G161 PolarHBondContact O-N 3.36Å
162	S	97.6	Very high	97.4	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	11%	0.109	C	C	.	.			trans	-73.2	164.6	173.1	62.7	0	0	0	0	111.3	V164 D165 A166 Y246 D482	S162-V164 PolarHBondContact O-N 3.17Å; S162-V164 PolarHBondContact OG-N 3.35Å; S162-D165 PolarHBondContact N-OD2 3.27Å; S162-D165 PolarHBondContact O-N 2.79Å; S162-D165 VanDerWaalsContact O-N 3.12Å; S162-D165 PolarHBondContact OG-N 2.85Å; S162-D165 PolarHBondContact OG-OD1 3.5Å; S162-D165 PolarHBondContact OG-OD2 3.41Å; S162-A166 PolarHBondContact O-N 2.93Å; S162-Y246 WeakPolarHBondContact CB-O 3.36Å; S162-Y246 PolarHBondContact OG-O 2.73Å; S162-D482 WeakPolarHBondContact CA-OD2 3.21Å; S162-D482 VanDerWaalsContact CB-OD2 3.24Å; S162-D482 WeakPolarHBondContact CB-OD2 3.4Å
163	S	97.9	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-55.1	-33.9	169.7	-65.4	0	0	0	0	112	A167 G480 D482 F484	S163-A167 WeakPolarHBondContact O-CB 3.09Å; S163-A167 PolarHBondContact O-N 3.32Å; S163-G480 WeakPolarHBondContact OG-CA 3.2Å; S163-G480 PolarHBondContact OG-N 2.63Å; S163-D482 WeakPolarHBondContact CB-OD1 3.27Å; S163-D482 PolarHBondContact N-OD2 3.49Å; S163-D482 PolarHBondContact OG-OD1 3.38Å; S163-F484 PolarHBondContact OG-O 3.13Å
164	V	98.7	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-76.1	-37.5	177.1	176.5	0	0	0	0	111.7	S162 A166 A167 V168 M190 V192 A242 Y246 V486	S162-V164 PolarHBondContact O-N 3.17Å; S162-V164 PolarHBondContact OG-N 3.35Å; V164-A166 VanDerWaalsContact C-N 3.29Å; V164-A166 PolarHBondContact O-N 3.49Å; V164-A167 PolarHBondContact O-N 2.95Å; V164-A167 VanDerWaalsContact O-N 3.13Å; V164-V168 HydrophobicContact CG1-CG2 4.37Å; V164-V168 VanDerWaalsContact O-CG2 3.29Å; V164-V168 WeakPolarHBondContact O-CG2 3.38Å; V164-V168 PolarHBondContact O-N 2.78Å; V164-M190 HydrophobicContact CG1-SD 4.3Å; V164-V192 HydrophobicContact CG2-CG1 4.2Å; V164-V192 HydrophobicContact CG2-CG2 4.03Å; V164-A242 HydrophobicContact CG1-CB 3.85Å; V164-Y246 VanDerWaalsContact CG2-CB 3.47Å; V164-Y246 HydrophobicContact CG2-CD2 4.15Å; V164-Y246 HydrophobicContact CG2-CG 4.03Å; V164-V486 HydrophobicContact CG2-CG2 3.66Å
165	D	98.8	Very high	97.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-43.5	172.3	-62.7	-36.9	0	0	0	111	V156 S162 A167 V168 A169 H243 G247 R248 L249 V254	V156-D165 HydrophobicContact CG1-CB 3.85Å; S162-D165 PolarHBondContact N-OD2 3.27Å; S162-D165 PolarHBondContact O-N 2.79Å; S162-D165 VanDerWaalsContact O-N 3.12Å; S162-D165 PolarHBondContact OG-N 2.85Å; S162-D165 PolarHBondContact OG-OD1 3.5Å; S162-D165 PolarHBondContact OG-OD2 3.41Å; D165-A167 VanDerWaalsContact C-N 3.31Å; D165-A167 PolarHBondContact O-N 3.42Å; D165-V168 PolarHBondContact O-N 2.96Å; D165-A169 PolarHBondContact O-N 2.79Å; D165-H243 IonicContact OD1-CE1 3.87Å; D165-H243 PolarHBondContact OD1-CE1 3.44Å; D165-H243 IonicContact OD1-ND1 3.7Å; D165-H243 PolarHBondContact OD1-ND1 2.83Å; D165-G247 WeakPolarHBondContact OD1-CA 3.31Å; D165-R248 PolarHBondContact OD1-N 2.96Å; D165-R248 WeakPolarHBondContact OD2-CA 3.46Å; D165-R248 WeakPolarHBondContact OD2-CB 3.07Å; D165-R248 PolarHBondContact OD2-N 3.49Å; D165-L249 PolarHBondContact OD2-N 3.34Å; D165-V254 HydrophobicContact CB-CG2 3.99Å
166	A	98.6	Very high	97.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.1	-36.9	176	0	0	0	0	0	111.7	V156 L157 S162 V164 A170 I478	V156-A166 HydrophobicContact CB-CB 4.08Å; V156-A166 HydrophobicContact CG1-CB 4.02Å; L157-A166 HydrophobicContact CD2-CB 3.88Å; L157-A166 HydrophobicContact CG-CB 3.82Å; S162-A166 PolarHBondContact O-N 2.93Å; V164-A166 VanDerWaalsContact C-N 3.29Å; V164-A166 PolarHBondContact O-N 3.49Å; A166-A170 WeakPolarHBondContact O-CB 3.44Å; A166-A170 PolarHBondContact O-N 3.26Å; A166-I478 HydrophobicContact CB-CD1 3.66Å
167	A	98.8	Very high	97.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.9	-43.4	177.2	0	0	0	0	0	111.8	S163 V164 D165 A170 A171 M190 V476 I478 V486	S163-A167 WeakPolarHBondContact O-CB 3.09Å; S163-A167 PolarHBondContact O-N 3.32Å; V164-A167 PolarHBondContact O-N 2.95Å; V164-A167 VanDerWaalsContact O-N 3.13Å; D165-A167 VanDerWaalsContact C-N 3.31Å; D165-A167 PolarHBondContact O-N 3.42Å; A167-A170 PolarHBondContact O-N 3.29Å; A167-A171 VanDerWaalsContact O-CB 3.28Å; A167-A171 WeakPolarHBondContact O-CB 3.26Å; A167-A171 PolarHBondContact O-N 3.17Å; A167-M190 HydrophobicContact CB-CE 4.26Å; A167-V476 HydrophobicContact CB-CG1 4.11Å; A167-I478 VanDerWaalsContact CA-CD1 3.5Å; A167-I478 HydrophobicContact CB-CD1 3.95Å; A167-I478 VanDerWaalsContact N-CD1 3.28Å; A167-V486 HydrophobicContact CB-CB 4.46Å; A167-V486 HydrophobicContact CB-CG1 3.7Å
168	V	98.9	Very high	97.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.1	-52	175.8	170.4	0	0	0	0	110.5	V164 D165 A170 A171 L172 L239 W251 V254	V164-V168 HydrophobicContact CG1-CG2 4.37Å; V164-V168 VanDerWaalsContact O-CG2 3.29Å; V164-V168 WeakPolarHBondContact O-CG2 3.38Å; V164-V168 PolarHBondContact O-N 2.78Å; D165-V168 PolarHBondContact O-N 2.96Å; V168-A170 VanDerWaalsContact C-N 3.34Å; V168-A170 PolarHBondContact O-N 3.08Å; V168-A171 PolarHBondContact O-N 2.85Å; V168-L172 HydrophobicContact CG1-CD1 4Å; V168-L172 VanDerWaalsContact O-CG 3.3Å; V168-L172 WeakPolarHBondContact O-CG 3.36Å; V168-L172 PolarHBondContact O-N 3.47Å; V168-L239 HydrophobicContact CG1-CB 4.19Å; V168-L239 HydrophobicContact CG1-CD1 4.34Å; V168-L239 HydrophobicContact CG2-CB 4.17Å; V168-L239 HydrophobicContact CG2-CD2 4.09Å; V168-W251 HydrophobicContact CG1-CH2 4.18Å; V168-W251 HydrophobicContact CG1-CZ3 3.8Å; V168-V254 HydrophobicContact CB-CG1 3.9Å; V168-V254 HydrophobicContact CG1-CG1 3.57Å
169	A	98.8	Very high	97.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.9	-42	179.6	0	0	0	0	0	112.1	L152 V156 D165 L172 C173 V254 F257	L152-A169 HydrophobicContact CD2-CB 4.33Å; V156-A169 HydrophobicContact CG2-CB 3.73Å; D165-A169 PolarHBondContact O-N 2.79Å; A169-L172 PolarHBondContact O-N 2.96Å; A169-C173 VanDerWaalsContact O-CB 3.31Å; A169-C173 WeakPolarHBondContact O-CB 3.27Å; A169-C173 PolarHBondContact O-N 3.48Å; A169-V254 HydrophobicContact CB-CG1 4.14Å; A169-F257 HydrophobicContact CB-CB 4.4Å
170	A	98.8	Very high	97.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.6	-41.9	177.2	0	0	0	0	0	112.4	T144 A166 A167 V168 C173 L174 V476	T144-A170 HydrophobicContact CG2-CB 4.03Å; A166-A170 WeakPolarHBondContact O-CB 3.44Å; A166-A170 PolarHBondContact O-N 3.26Å; A167-A170 PolarHBondContact O-N 3.29Å; V168-A170 VanDerWaalsContact C-N 3.34Å; V168-A170 PolarHBondContact O-N 3.08Å; A170-C173 WeakPolarHBondContact O-CB 3.48Å; A170-C173 PolarHBondContact O-N 3.38Å; A170-L174 WeakPolarHBondContact O-CG 3.29Å; A170-L174 PolarHBondContact O-N 3.42Å; A170-V476 HydrophobicContact CB-CG1 3.86Å; A170-V476 HydrophobicContact CB-CG2 4.3Å
171	A	98.7	Very high	97.9	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-64.7	-43.4	177.1	0	0	0	0	0	112.4	A167 V168 C173 L174 G175 M235 L239 V476 M488	A167-A171 VanDerWaalsContact O-CB 3.28Å; A167-A171 WeakPolarHBondContact O-CB 3.26Å; A167-A171 PolarHBondContact O-N 3.17Å; V168-A171 PolarHBondContact O-N 2.85Å; A171-C173 VanDerWaalsContact C-N 3.33Å; A171-L174 PolarHBondContact O-N 2.91Å; A171-G175 PolarHBondContact O-N 3.22Å; A171-M235 HydrophobicContact CB-CE 4.4Å; A171-L239 HydrophobicContact CB-CD1 4.36Å; A171-L239 HydrophobicContact CB-CD2 4.24Å; A171-V476 HydrophobicContact CB-CG2 4.29Å; A171-M488 HydrophobicContact CB-CE 3.39Å; A171-M488 HydrophobicContact CB-SD 3.74Å
172	L	98.8	Very high	97.9	Very high	11 Å²	11	2.9 Å²	2.9	6%	0.058	2%	0.019	C	C	.	.	H	α-helix	trans	-63	-41.1	174.3	-67.3	173	0	0	0	111.3	V168 A169 G175 I176 L184 L239 L255 A258 L314	V168-L172 HydrophobicContact CG1-CD1 4Å; V168-L172 VanDerWaalsContact O-CG 3.3Å; V168-L172 WeakPolarHBondContact O-CG 3.36Å; V168-L172 PolarHBondContact O-N 3.47Å; A169-L172 PolarHBondContact O-N 2.96Å; L172-G175 PolarHBondContact O-N 3.23Å; L172-I176 PolarHBondContact O-N 3.01Å; L172-L184 HydrophobicContact CD2-CD2 3.53Å; L172-L239 HydrophobicContact CD2-CD1 3.71Å; L172-L239 HydrophobicContact CG-CD1 3.86Å; L172-L255 HydrophobicContact CD1-CD1 3.92Å; L172-L255 HydrophobicContact CD1-CG 3.89Å; L172-A258 HydrophobicContact CB-CB 3.54Å; L172-A258 HydrophobicContact CD1-CB 4.33Å; L172-L314 HydrophobicContact CD1-CD2 4.19Å; L172-L314 HydrophobicContact CD2-CD2 4.01Å
173	C	98.8	Very high	97.8	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-59.8	-43.6	172.6	173.7	0	0	0	0	112.3	C149 L152 A169 A170 A171 G175 I176 V177	C149-C173 WeakPolarHBondContact CA-SG 3.15Å; C149-C173 HydrophobicContact CB-CB 3.74Å; C149-C173 WeakPolarHBondContact CB-SG 3.27Å; C149-C173 WeakPolarHBondContact SG-CB 3.43Å; C149-C173 PolarHBondContact SG-O 2.89Å; C149-C173 CovalentContact SG-SG 2.05Å; C149-C173 PolarHBondContact SG-SG 3.18Å; L152-C173 HydrophobicContact CD2-CB 3.59Å; A169-C173 VanDerWaalsContact O-CB 3.31Å; A169-C173 WeakPolarHBondContact O-CB 3.27Å; A169-C173 PolarHBondContact O-N 3.48Å; A170-C173 WeakPolarHBondContact O-CB 3.48Å; A170-C173 PolarHBondContact O-N 3.38Å; A171-C173 VanDerWaalsContact C-N 3.33Å; C173-G175 VanDerWaalsContact C-N 3.25Å; C173-G175 PolarHBondContact O-N 2.98Å; C173-I176 WeakPolarHBondContact O-CA 3.41Å; C173-I176 WeakPolarHBondContact O-CB 3.48Å; C173-I176 PolarHBondContact O-N 3.32Å; C173-V177 WeakPolarHBondContact O-CG2 3.4Å; C173-V177 PolarHBondContact O-N 3.18Å
174	L	98.4	Very high	97.9	Very high	1 Å²	1	4 Å²	4	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-61.6	-36	176	-72.4	172.1	0	0	0	111.5	T144 D145 A146 C149 A170 A171 I176 V177 A178 A474 V476	T144-L174 HydrophobicContact CG2-CD1 4.47Å; D145-L174 HydrophobicContact CB-CD2 4.48Å; A146-L174 HydrophobicContact CB-CD2 3.77Å; C149-L174 HydrophobicContact CB-CD2 4.04Å; C149-L174 HydrophobicContact CB-CG 4.07Å; C149-L174 PolarHBondContact SG-N 3.43Å; A170-L174 WeakPolarHBondContact O-CG 3.29Å; A170-L174 PolarHBondContact O-N 3.42Å; A171-L174 PolarHBondContact O-N 2.91Å; L174-I176 PolarHBondContact O-N 3.49Å; L174-V177 HydrophobicContact CD2-CG2 4.38Å; L174-V177 PolarHBondContact O-N 2.73Å; L174-A178 CarbonylContact O-C 3.59Å; L174-A178 VanDerWaalsContact O-C 3.28Å; L174-A178 VanDerWaalsContact O-CA 3.31Å; L174-A178 WeakPolarHBondContact O-CA 3.32Å; L174-A178 WeakPolarHBondContact O-CB 3.4Å; L174-A178 PolarHBondContact O-N 2.84Å; L174-A474 HydrophobicContact CB-CB 4.35Å; L174-A474 HydrophobicContact CD1-CB 4Å; L174-V476 HydrophobicContact CD1-CG2 3.49Å; L174-V476 VanDerWaalsContact CD1-CG2 3.49Å
175	G	97.7	Very high	97.8	Very high	10 Å²	10	4 Å²	4	10%	0.103	3%	0.026	C	C	.	.	H	α-helix	trans	-61.2	-23.3	171.7	0	0	0	0	0	114.8	A171 L172 C173 S182	A171-G175 PolarHBondContact O-N 3.22Å; L172-G175 PolarHBondContact O-N 3.23Å; C173-G175 VanDerWaalsContact C-N 3.25Å; C173-G175 PolarHBondContact O-N 2.98Å; G175-S182 WeakPolarHBondContact CA-O 3.3Å
176	I	98.2	Very high	97.8	Very high	3 Å²	3	4 Å²	4	2%	0.015	3%	0.026	C	C	.	.	H	α-helix	trans	-90.1	-50.1	176.9	-63.6	154.5	0	0	0	110.7	L172 C173 L174 A258 V261 A262 F266 L310 L314	L172-I176 PolarHBondContact O-N 3.01Å; C173-I176 WeakPolarHBondContact O-CA 3.41Å; C173-I176 WeakPolarHBondContact O-CB 3.48Å; C173-I176 PolarHBondContact O-N 3.32Å; L174-I176 PolarHBondContact O-N 3.49Å; I176-A258 HydrophobicContact CD1-CB 4.22Å; I176-A258 WeakPolarHBondContact CD1-O 3.44Å; I176-V261 HydrophobicContact CG2-CG1 4.38Å; I176-A262 HydrophobicContact CD1-CB 3.74Å; I176-A262 HydrophobicContact CG1-CB 4.07Å; I176-A262 HydrophobicContact CG2-CB 4.06Å; I176-F266 HydrophobicContact CG2-CD1 3.82Å; I176-F266 HydrophobicContact CG2-CE1 3.7Å; I176-F266 VanDerWaalsContact O-CE1 3.27Å; I176-F266 WeakPolarHBondContact O-CE1 3.44Å; I176-F266 WeakPolarHBondContact O-CZ 3.46Å; I176-L310 HydrophobicContact CG1-CD1 4.25Å; I176-L314 HydrophobicContact CD1-CD1 3.98Å
177	V	97.9	Very high	97.8	Very high	2 Å²	2	4 Å²	4	1%	0.012	3%	0.026	C	C	.	.	H	α-helix	trans	-88.9	-24.4	-169.9	-49.8	0	0	0	0	114.1	A146 C149 C173 L174 V261 F266	A146-V177 HydrophobicContact CB-CG2 3.55Å; C149-V177 WeakPolarHBondContact SG-CG2 3.5Å; C173-V177 WeakPolarHBondContact O-CG2 3.4Å; C173-V177 PolarHBondContact O-N 3.18Å; L174-V177 HydrophobicContact CD2-CG2 4.38Å; L174-V177 PolarHBondContact O-N 2.73Å; V177-V261 HydrophobicContact CG1-CG1 3.94Å; V177-F266 HydrophobicContact CB-CD2 3.88Å; V177-F266 HydrophobicContact CB-CE2 4.12Å; V177-F266 HydrophobicContact CB-CG 4.21Å; V177-F266 HydrophobicContact CG1-CB 3.94Å; V177-F266 HydrophobicContact CG1-CD1 4.17Å; V177-F266 HydrophobicContact CG1-CD2 3.96Å; V177-F266 HydrophobicContact CG1-CG 3.76Å
178	A	96.9	Very high	97.7	Very high	6 Å²	6	4 Å²	4	5%	0.05	3%	0.026	C	C	.	.			trans	-126.2	56.6	178.4	0	0	0	0	0	111	L174 H180 S181 S182	L174-A178 CarbonylContact O-C 3.59Å; L174-A178 VanDerWaalsContact O-C 3.28Å; L174-A178 VanDerWaalsContact O-CA 3.31Å; L174-A178 WeakPolarHBondContact O-CA 3.32Å; L174-A178 WeakPolarHBondContact O-CB 3.4Å; L174-A178 PolarHBondContact O-N 2.84Å; A178-H180 PolarHBondContact O-N 3.12Å; A178-S181 PolarHBondContact O-N 3.34Å; A178-S182 PolarHBondContact O-N 3.26Å
179	P	96.5	Very high	97.7	Very high	2 Å²	2	4 Å²	4	1%	0.013	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.3	-174.9	29.2	-37.8	0	0	0	113.9	S181 L272 F292 L492 F496 L507	P179-S181 VanDerWaalsContact C-N 3.28Å; P179-L272 HydrophobicContact CG-CD1 3.85Å; P179-L272 HydrophobicContact CG-CD2 4.44Å; P179-F292 HydrophobicContact CB-CE1 4.31Å; P179-F292 HydrophobicContact CB-CZ 3.84Å; P179-F292 HydrophobicContact CG-CE1 3.65Å; P179-F292 HydrophobicContact CG-CZ 3.7Å; P179-L492 WeakPolarHBondContact O-CD1 3.39Å; P179-F496 HydrophobicContact CG-CE1 4.5Å; P179-L507 HydrophobicContact CB-CD2 4.45Å; P179-L507 WeakPolarHBondContact O-CD2 3.26Å
180	H	96.1	Very high	97.7	Very high	17 Å²	17	4 Å²	4	8%	0.079	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-24.9	169.6	63.3	-81.2	0	0	0	111.9	A178 A275 P495 F496	A178-H180 PolarHBondContact O-N 3.12Å; H180-A275 HydrophobicContact CB-CB 3.72Å; H180-P495 VanDerWaalsContact O-CA 3.28Å; H180-P495 WeakPolarHBondContact O-CA 3.39Å; H180-F496 HydrophobicContact CB-CD1 3.96Å; H180-F496 HydrophobicContact CB-CD2 4.2Å; H180-F496 HydrophobicContact CB-CE1 3.58Å; H180-F496 HydrophobicContact CB-CE2 3.83Å; H180-F496 HydrophobicContact CB-CG 4.25Å; H180-F496 HydrophobicContact CB-CZ 3.5Å; H180-F496 VanDerWaalsContact CB-CZ 3.5Å; H180-F496 PolarHBondContact O-N 3.08Å; H180-F496 VanDerWaalsContact O-N 3.14Å
181	S	94.9	Very high	97.7	Very high	7 Å²	7	4 Å²	4	5%	0.049	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-48	-173.6	-65.1	0	0	0	0	113.3	A178 P179 T472 S491 L492	A178-S181 PolarHBondContact O-N 3.34Å; P179-S181 VanDerWaalsContact C-N 3.28Å; S181-T472 WeakPolarHBondContact OG-CG2 3.43Å; S181-S491 VanDerWaalsContact O-CA 3.28Å; S181-S491 WeakPolarHBondContact O-CA 3.34Å; S181-L492 PolarHBondContact O-N 2.98Å
182	S	95.5	Very high	97.7	Very high	0 Å²	0	4 Å²	4	0%	0	3%	0.026	C	C	.	.			trans	-150.7	171.1	-175.3	-165.3	0	0	0	0	111.4	G175 A178 M235 S490	G175-S182 WeakPolarHBondContact CA-O 3.3Å; A178-S182 PolarHBondContact O-N 3.26Å; S182-M235 WeakPolarHBondContact OG-CE 3.31Å; S182-S490 VanDerWaalsContact OG-CB 3.31Å; S182-S490 WeakPolarHBondContact OG-CB 3.36Å; S182-S490 PolarHBondContact OG-OG 3.2Å
183	G	97.1	Very high	97.7	Very high	7 Å²	7	3.5 Å²	3.5	7%	0.072	2%	0.024	C	C	.	.			trans	176.5	176	-179.9	0	0	0	0	0	113.5	G185 G186	G183-G185 PolarHBondContact O-N 2.96Å; G183-G186 PolarHBondContact O-N 3.25Å; G183-G186 VanDerWaalsContact O-N 3.07Å
184	L	98.3	Very high	97.5	Very high	18 Å²	18	3.8 Å²	3.8	9%	0.094	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32	179.6	-68.5	178.8	0	0	0	113.3	L172 G186 V236 L310 V313 L314 L317 F325 I506	L172-L184 HydrophobicContact CD2-CD2 3.53Å; L184-G186 PolarHBondContact O-N 3.34Å; L184-V236 HydrophobicContact CD2-CG2 3.85Å; L184-L310 HydrophobicContact CD1-CD2 4.25Å; L184-V313 HydrophobicContact CD1-CG1 3.68Å; L184-L314 HydrophobicContact CD1-CD2 4.33Å; L184-L314 HydrophobicContact CD2-CD2 4.39Å; L184-L317 HydrophobicContact CD1-CD1 4.46Å; L184-F325 HydrophobicContact CB-CE2 4.47Å; L184-I506 HydrophobicContact CB-CG2 4.3Å
185	G	98.2	Very high	97.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.033	C	C	.	.	B	Isolated β-bridge	trans	-83.2	11.2	177.4	0	0	0	0	0	114.3	G183 L507 N509	G183-G185 PolarHBondContact O-N 2.96Å; G185-L507 VanDerWaalsContact CA-O 3.25Å; G185-L507 WeakPolarHBondContact CA-O 3.36Å; G185-N509 VanDerWaalsContact O-CB 3.3Å; G185-N509 WeakPolarHBondContact O-CB 3.35Å; G185-N509 PolarHBondContact O-N 3.09Å; G185-N509 VanDerWaalsContact O-N 3.13Å; G185-N509 PolarHBondContact O-ND2 3.29Å
186	G	98	Very high	97	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-112.7	-155.8	176.4	0	0	0	0	0	113.9	G183 L184 E207 G234 M235	G183-G186 PolarHBondContact O-N 3.25Å; G183-G186 VanDerWaalsContact O-N 3.07Å; L184-G186 PolarHBondContact O-N 3.34Å; G186-E207 VanDerWaalsContact CA-OE1 3.28Å; G186-E207 WeakPolarHBondContact CA-OE1 3.4Å; G186-G234 PolarHBondContact O-N 2.79Å; G186-M235 WeakPolarHBondContact O-CB 3.37Å; G186-M235 PolarHBondContact O-N 3.28Å
187	G	98	Very high	96.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-173.1	-178.8	0	0	0	0	0	112.1	F205 E207 S490 S491	G187-F205 WeakPolarHBondContact CA-O 3.41Å; G187-E207 WeakPolarHBondContact CA-OE2 3.43Å; G187-E207 PolarHBondContact N-OE1 3.47Å; G187-S490 CarbonylContact O-C 3.1Å; G187-S490 VanDerWaalsContact O-CA 3.28Å; G187-S490 WeakPolarHBondContact O-CA 3.37Å; G187-S490 VanDerWaalsContact O-CB 3.28Å; G187-S490 WeakPolarHBondContact O-CB 3.41Å; G187-S491 PolarHBondContact N-O 3.43Å; G187-S491 PolarHBondContact O-N 3.25Å
188	G	97.5	Very high	96.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-167.9	-175.9	0	0	0	0	0	114.3	F205 R206 V489	G188-F205 PolarHBondContact N-O 3.06Å; G188-F205 VanDerWaalsContact N-O 3.16Å; G188-F205 CarbonylContact O-C 3.57Å; G188-F205 WeakPolarHBondContact O-CA 3.49Å; G188-F205 WeakPolarHBondContact O-CD1 3.26Å; G188-F205 WeakPolarHBondContact O-CD2 3.29Å; G188-F205 WeakPolarHBondContact O-CG 3.46Å; G188-F205 PolarHBondContact O-N 3.39Å; G188-R206 PolarHBondContact O-N 3.36Å; G188-V489 VanDerWaalsContact CA-O 3.32Å; G188-V489 WeakPolarHBondContact CA-O 3.34Å
189	V	98.4	Very high	96.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	137.3	-178	-167.8	0	0	0	0	109.3	V202 I203 P374 H378 M488 V489 L543 P545	V189-V202 HydrophobicContact CG1-CG1 3.53Å; V189-I203 WeakPolarHBondContact CA-O 3.46Å; V189-P374 HydrophobicContact CG1-CB 3.99Å; V189-P374 HydrophobicContact CG1-CG 3.64Å; V189-H378 WeakPolarHBondContact CG2-CE1 3.07Å; V189-H378 VanDerWaalsContact CG2-NE2 3.3Å; V189-H378 WeakPolarHBondContact CG2-NE2 3.23Å; V189-M488 VanDerWaalsContact O-CA 3.31Å; V189-M488 WeakPolarHBondContact O-CA 2.91Å; V189-V489 PolarHBondContact N-O 3.13Å; V189-V489 PolarHBondContact O-N 2.93Å; V189-L543 HydrophobicContact CG2-CB 4.12Å; V189-P545 HydrophobicContact CB-CG 3.9Å; V189-P545 HydrophobicContact CG1-CG 3.88Å
190	M	98.8	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.8	173.8	-177.8	-176.3	-63.2	0	0	109.7	V164 A167 V192 V202 I203 F205 L239 A242 V486 A487 M488	V164-M190 HydrophobicContact CG1-SD 4.3Å; A167-M190 HydrophobicContact CB-CE 4.26Å; M190-V192 HydrophobicContact CG-CG2 3.91Å; M190-V192 HydrophobicContact SD-CG2 3.9Å; M190-V202 CarbonylContact O-C 3.6Å; M190-V202 WeakPolarHBondContact O-CA 3.05Å; M190-I203 HydrophobicContact CB-CB 4.43Å; M190-I203 HydrophobicContact CB-CD1 4.4Å; M190-I203 HydrophobicContact CG-CD1 4.43Å; M190-I203 PolarHBondContact N-O 3.34Å; M190-I203 PolarHBondContact O-N 3.06Å; M190-F205 HydrophobicContact CB-CE1 3.9Å; M190-L239 HydrophobicContact CE-CD2 3.88Å; M190-A242 HydrophobicContact CE-CB 4.15Å; M190-A242 HydrophobicContact SD-CB 3.55Å; M190-A242 VanDerWaalsContact SD-CB 3.55Å; M190-V486 HydrophobicContact CG-CG1 3.86Å; M190-V486 HydrophobicContact SD-CG1 3.95Å; M190-A487 CarbonylContact C-O 3.51Å; M190-A487 WeakPolarHBondContact CA-O 3.38Å; M190-M488 HydrophobicContact CB-CB 4.23Å; M190-M488 HydrophobicContact CB-CG 4.32Å; M190-M488 HydrophobicContact CE-CB 4.37Å; M190-M488 HydrophobicContact CE-CG 4.35Å; M190-M488 HydrophobicContact CE-SD 3.49Å; M190-M488 WeakPolarHBondContact CE-SD 3.31Å; M190-M488 HydrophobicContact CG-CB 4.19Å
191	L	98.8	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.9	171.4	176.1	58.3	0	0	0	108.9	H201 V202 P361 L372 V486 A487 P545 V547	L191-H201 WeakPolarHBondContact CA-O 3.19Å; L191-V202 HydrophobicContact CD1-CG2 3.75Å; L191-P361 HydrophobicContact CD1-CB 3.96Å; L191-P361 HydrophobicContact CD1-CG 4.11Å; L191-L372 HydrophobicContact CD2-CB 3.98Å; L191-L372 WeakPolarHBondContact CD2-O 3.37Å; L191-V486 WeakPolarHBondContact O-CA 3.37Å; L191-A487 PolarHBondContact N-O 3.35Å; L191-A487 PolarHBondContact O-N 3.06Å; L191-P545 HydrophobicContact CB-CB 4.18Å; L191-P545 HydrophobicContact CB-CG 4.3Å; L191-P545 WeakPolarHBondContact CD2-O 3.26Å; L191-V547 HydrophobicContact CD2-CB 3.77Å; L191-V547 HydrophobicContact CD2-CG2 3.73Å; L191-V547 HydrophobicContact CG-CB 4.23Å; L191-V547 HydrophobicContact CG-CG2 3.82Å
192	V	98.8	Very high	96.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.4	176.3	-174.8	0	0	0	0	109	V164 M190 S200 H201 I203 Y246 F484 I485 V486	V164-V192 HydrophobicContact CG2-CG1 4.2Å; V164-V192 HydrophobicContact CG2-CG2 4.03Å; M190-V192 HydrophobicContact CG-CG2 3.91Å; M190-V192 HydrophobicContact SD-CG2 3.9Å; V192-S200 CarbonylContact O-C 3.35Å; V192-S200 VanDerWaalsContact O-CA 3.26Å; V192-S200 WeakPolarHBondContact O-CA 3.23Å; V192-H201 PolarHBondContact N-O 2.85Å; V192-H201 PolarHBondContact O-N 3.28Å; V192-I203 HydrophobicContact CG2-CD1 3.95Å; V192-Y246 HydrophobicContact CB-CD2 4.3Å; V192-Y246 HydrophobicContact CB-CE2 3.95Å; V192-Y246 HydrophobicContact CG1-CD1 4.25Å; V192-Y246 HydrophobicContact CG1-CD2 4.05Å; V192-Y246 HydrophobicContact CG1-CE1 4.19Å; V192-Y246 HydrophobicContact CG1-CE2 3.99Å; V192-Y246 HydrophobicContact CG1-CG 4.19Å; V192-Y246 HydrophobicContact CG2-CD2 4.12Å; V192-Y246 HydrophobicContact CG2-CE2 4.09Å; V192-F484 HydrophobicContact CG1-CD1 4.37Å; V192-I485 CarbonylContact C-O 3.51Å; V192-I485 WeakPolarHBondContact CA-O 3.43Å; V192-V486 HydrophobicContact CG1-CG2 4.4Å; V192-V486 HydrophobicContact CG2-CG1 4.37Å; V192-V486 HydrophobicContact CG2-CG2 4.37Å
193	H	98.1	Very high	97	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.4	170.1	177.8	60	0	0	0	110.3	E199 S200 F484 I485 V547 R549	H193-E199 WeakPolarHBondContact CA-O 3.14Å; H193-E199 PolarHBondContact ND1-O 3.35Å; H193-E199 VanDerWaalsContact ND1-O 3.13Å; H193-S200 PolarHBondContact ND1-OG 3.31Å; H193-F484 WeakPolarHBondContact O-CA 3.38Å; H193-I485 HydrophobicContact CB-CB 4.29Å; H193-I485 PolarHBondContact N-O 3.29Å; H193-I485 PolarHBondContact O-N 3.31Å; H193-V547 HydrophobicContact CB-CG1 3.92Å; H193-R549 WeakPolarHBondContact CE1-CD 3.39Å; H193-R549 WeakPolarHBondContact NE2-CD 3.24Å
194	D	96.4	Very high	97.1	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.027	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	107.4	170.2	-175	-22.9	0	0	0	109.2	R196 R197 N198 E199 F484	D194-R196 VanDerWaalsContact C-N 3.27Å; D194-R196 PolarHBondContact O-N 3.36Å; D194-R196 WeakPolarHBondContact OD1-CA 3.44Å; D194-R196 WeakPolarHBondContact OD1-CB 3.44Å; D194-R196 PolarHBondContact OD1-N 3.05Å; D194-R197 HydrophobicContact CB-CB 4.2Å; D194-R197 PolarHBondContact OD1-N 3.14Å; D194-R197 VanDerWaalsContact OD2-CD 3.26Å; D194-R197 WeakPolarHBondContact OD2-CD 3.37Å; D194-R197 VanDerWaalsContact OD2-CG 3.29Å; D194-R197 WeakPolarHBondContact OD2-CG 3.44Å; D194-R197 IonicContact OD2-NE 3.13Å; D194-N198 VanDerWaalsContact O-CA 3.26Å; D194-N198 WeakPolarHBondContact O-CA 3.12Å; D194-N198 PolarHBondContact O-N 3.49Å; D194-E199 PolarHBondContact N-O 2.96Å; D194-E199 PolarHBondContact O-N 2.75Å; D194-F484 HydrophobicContact CB-CD1 3.88Å; D194-F484 HydrophobicContact CB-CE1 3.69Å; D194-F484 WeakPolarHBondContact OD2-CE1 3.48Å
195	I	93.6	Very high	97.1	Very high	32 Å²	32	28.6 Å²	28.6	16%	0.164	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-34.4	-179.9	-61	167.5	0	0	0	111	D483 I485 Y558	I195-D483 HydrophobicContact CB-CB 4.19Å; I195-D483 WeakPolarHBondContact CB-O 3.18Å; I195-D483 HydrophobicContact CD1-CB 4.43Å; I195-D483 WeakPolarHBondContact CD1-O 3.32Å; I195-D483 VanDerWaalsContact CG1-O 3.26Å; I195-D483 WeakPolarHBondContact CG1-O 3.35Å; I195-D483 PolarHBondContact N-O 3.23Å; I195-D483 VanDerWaalsContact N-O 3.11Å; I195-I485 HydrophobicContact CD1-CD1 3.94Å; I195-I485 HydrophobicContact CD1-CG1 3.94Å; I195-I485 HydrophobicContact CG1-CD1 4.1Å; I195-I485 HydrophobicContact CG1-CG1 4.2Å; I195-Y558 HydrophobicContact CD1-CD1 4.37Å; I195-Y558 HydrophobicContact CD1-CE1 4.28Å; I195-Y558 HydrophobicContact CG1-CD1 4.28Å; I195-Y558 HydrophobicContact CG1-CE1 3.91Å; I195-Y558 HydrophobicContact CG2-CE1 4.28Å
196	R	91.9	Very high	97.1	Very high	162 Å²	162	28.7 Å²	28.7	61%	0.611	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-38.2	-175.3	-63.2	179.8	-66.3	176.7	-5.1	111.5	D194 D482 D483	D194-R196 VanDerWaalsContact C-N 3.27Å; D194-R196 PolarHBondContact O-N 3.36Å; D194-R196 WeakPolarHBondContact OD1-CA 3.44Å; D194-R196 WeakPolarHBondContact OD1-CB 3.44Å; D194-R196 PolarHBondContact OD1-N 3.05Å; R196-D482 PolarHBondContact NH2-O 3.11Å; R196-D483 HydrophobicContact CG-CB 3.83Å
197	R	94	Very high	97.1	Very high	172 Å²	172	28.7 Å²	28.7	65%	0.649	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-14.4	177.3	-64.2	-176.7	-178	175.7	3.5	113.4	D194 E199	D194-R197 HydrophobicContact CB-CB 4.2Å; D194-R197 PolarHBondContact OD1-N 3.14Å; D194-R197 VanDerWaalsContact OD2-CD 3.26Å; D194-R197 WeakPolarHBondContact OD2-CD 3.37Å; D194-R197 VanDerWaalsContact OD2-CG 3.29Å; D194-R197 WeakPolarHBondContact OD2-CG 3.44Å; D194-R197 IonicContact OD2-NE 3.13Å; R197-E199 HydrophobicContact CB-CB 4.13Å; R197-E199 HydrophobicContact CB-CG 3.98Å; R197-E199 WeakPolarHBondContact CD-OE2 3.48Å; R197-E199 PolarHBondContact O-N 3.41Å
198	N	92.6	Very high	97.1	Very high	62 Å²	62	29.3 Å²	29.3	33%	0.332	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	34.5	-169.8	-166.4	31.5	0	0	0	112.4	D194 R549	D194-N198 VanDerWaalsContact O-CA 3.26Å; D194-N198 WeakPolarHBondContact O-CA 3.12Å; D194-N198 PolarHBondContact O-N 3.49Å; N198-R549 PolarHBondContact OD1-NE 3.28Å; N198-R549 PolarHBondContact OD1-NH1 3.04Å; N198-R549 PolarHBondContact OD1-NH2 3.08Å
199	E	95.4	Very high	97.1	Very high	94 Å²	94	29.3 Å²	29.3	44%	0.439	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	147.4	-178.5	-73.1	177.1	163.9	0	0	109.8	H193 D194 R197	H193-E199 WeakPolarHBondContact CA-O 3.14Å; H193-E199 PolarHBondContact ND1-O 3.35Å; H193-E199 VanDerWaalsContact ND1-O 3.13Å; D194-E199 PolarHBondContact N-O 2.96Å; D194-E199 PolarHBondContact O-N 2.75Å; R197-E199 HydrophobicContact CB-CB 4.13Å; R197-E199 HydrophobicContact CB-CG 3.98Å; R197-E199 WeakPolarHBondContact CD-OE2 3.48Å; R197-E199 PolarHBondContact O-N 3.41Å
200	S	98	Very high	97	Very high	20 Å²	20	29.4 Å²	29.4	14%	0.14	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	135.7	-179.9	-42.7	0	0	0	0	110.2	V192 H193 P361 L372	V192-S200 CarbonylContact O-C 3.35Å; V192-S200 VanDerWaalsContact O-CA 3.26Å; V192-S200 WeakPolarHBondContact O-CA 3.23Å; H193-S200 PolarHBondContact ND1-OG 3.31Å; S200-P361 WeakPolarHBondContact O-CD 3.38Å; S200-L372 WeakPolarHBondContact OG-CD1 3.02Å
201	H	98.5	Very high	96.9	Very high	51 Å²	51	31 Å²	31	24%	0.236	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.4	179.9	-72.8	-85.2	0	0	0	110.8	L191 V192 Y246 V358 E359	L191-H201 WeakPolarHBondContact CA-O 3.19Å; V192-H201 PolarHBondContact N-O 2.85Å; V192-H201 PolarHBondContact O-N 3.28Å; H201-Y246 WeakPolarHBondContact CB-OH 3.32Å; H201-Y246 PolarHBondContact CD2-OH 2.68Å; H201-V358 HydrophobicContact CB-CG1 4.29Å; H201-E359 WeakPolarHBondContact CA-O 3.31Å
202	V	98.8	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.4	166.8	176.9	0	0	0	0	107	V189 M190 L191 D204 V358 E359 P361 P374	V189-V202 HydrophobicContact CG1-CG1 3.53Å; M190-V202 CarbonylContact O-C 3.6Å; M190-V202 WeakPolarHBondContact O-CA 3.05Å; L191-V202 HydrophobicContact CD1-CG2 3.75Å; V202-D204 HydrophobicContact CG1-CB 4.45Å; V202-V358 CarbonylContact O-C 3.44Å; V202-V358 WeakPolarHBondContact O-CA 3.21Å; V202-E359 PolarHBondContact N-O 2.96Å; V202-E359 PolarHBondContact O-N 3.28Å; V202-P361 HydrophobicContact CG2-CB 3.77Å; V202-P374 HydrophobicContact CG1-CB 3.98Å; V202-P374 HydrophobicContact CG1-CG 4.36Å; V202-P374 HydrophobicContact CG2-CB 4.4Å
203	I	98.8	Very high	96.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	103.2	166.8	-53.3	88.4	0	0	0	106.1	V189 M190 V192 F205 E241 A242 Y246 A356 L357 V358	V189-I203 WeakPolarHBondContact CA-O 3.46Å; M190-I203 HydrophobicContact CB-CB 4.43Å; M190-I203 HydrophobicContact CB-CD1 4.4Å; M190-I203 HydrophobicContact CG-CD1 4.43Å; M190-I203 PolarHBondContact N-O 3.34Å; M190-I203 PolarHBondContact O-N 3.06Å; V192-I203 HydrophobicContact CG2-CD1 3.95Å; I203-F205 HydrophobicContact CG2-CD1 4.14Å; I203-F205 VanDerWaalsContact O-CD1 3.28Å; I203-F205 WeakPolarHBondContact O-CD1 3.27Å; I203-F205 WeakPolarHBondContact O-CE1 3.44Å; I203-E241 HydrophobicContact CG2-CB 4.27Å; I203-E241 HydrophobicContact CG2-CG 4.45Å; I203-A242 HydrophobicContact CD1-CB 4.29Å; I203-A242 HydrophobicContact CG1-CB 4.33Å; I203-Y246 HydrophobicContact CD1-CE2 4.37Å; I203-A356 HydrophobicContact CG2-CB 4.42Å; I203-L357 CarbonylContact C-O 3.23Å; I203-L357 WeakPolarHBondContact CA-O 3.47Å; I203-V358 HydrophobicContact CG1-CG2 4.34Å; I203-V358 HydrophobicContact CG2-CG2 4.48Å
204	D	98.4	Very high	96.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.011	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	108.8	176.6	176.6	15.6	0	0	0	110.2	V202 R206 A356 L357 H378 R538	V202-D204 HydrophobicContact CG1-CB 4.45Å; D204-R206 WeakPolarHBondContact OD1-CB 3.3Å; D204-R206 PolarHBondContact OD1-N 2.88Å; D204-A356 WeakPolarHBondContact O-CA 3.25Å; D204-L357 HydrophobicContact CB-CB 4.4Å; D204-L357 PolarHBondContact N-O 3.47Å; D204-L357 PolarHBondContact O-N 3.23Å; D204-H378 VanDerWaalsContact CG-NE2 3.26Å; D204-H378 IonicContact OD1-CE1 2.62Å; D204-H378 IonicContact OD1-NE2 2.94Å; D204-H378 PolarHBondContact OD1-NE2 2.92Å; D204-H378 IonicContact OD2-NE2 3.8Å; D204-H378 PolarHBondContact OD2-NE2 2.78Å; D204-R538 PolarHBondContact O-NH1 3.15Å; D204-R538 IonicContact OD1-NH1 3.89Å; D204-R538 PolarHBondContact OD1-NH1 3.17Å; D204-R538 IonicContact OD2-CZ 3.21Å; D204-R538 IonicContact OD2-NH1 3.34Å; D204-R538 PolarHBondContact OD2-NH1 3.01Å
205	F	98.3	Very high	96	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	37.6	175.9	54.1	-85.3	0	0	0	110.7	G187 G188 M190 I203 G234 M235 G238 Y354 A356 M488	G187-F205 WeakPolarHBondContact CA-O 3.41Å; G188-F205 PolarHBondContact N-O 3.06Å; G188-F205 VanDerWaalsContact N-O 3.16Å; G188-F205 CarbonylContact O-C 3.57Å; G188-F205 WeakPolarHBondContact O-CA 3.49Å; G188-F205 WeakPolarHBondContact O-CD1 3.26Å; G188-F205 WeakPolarHBondContact O-CD2 3.29Å; G188-F205 WeakPolarHBondContact O-CG 3.46Å; G188-F205 PolarHBondContact O-N 3.39Å; M190-F205 HydrophobicContact CB-CE1 3.9Å; I203-F205 HydrophobicContact CG2-CD1 4.14Å; I203-F205 VanDerWaalsContact O-CD1 3.28Å; I203-F205 WeakPolarHBondContact O-CD1 3.27Å; I203-F205 WeakPolarHBondContact O-CE1 3.44Å; F205-G234 WeakPolarHBondContact CB-O 3.43Å; F205-G234 WeakPolarHBondContact O-CA 3.4Å; F205-M235 HydrophobicContact CD2-SD 4.49Å; F205-M235 HydrophobicContact CE2-SD 3.83Å; F205-G238 VanDerWaalsContact CB-CA 3.46Å; F205-Y354 VanDerWaalsContact C-OH 3.22Å; F205-Y354 WeakPolarHBondContact CA-OH 3.34Å; F205-Y354 PolarHBondContact O-OH 3.39Å; F205-A356 HydrophobicContact CB-CB 4.05Å; F205-M488 HydrophobicContact CE2-CE 4.06Å; F205-M488 HydrophobicContact CZ-CE 3.7Å; F205-M488 HydrophobicContact CZ-CG 4.29Å; F205-M488 HydrophobicContact CZ-SD 4.16Å
206	R	97.2	Very high	95.9	Very high	1 Å²	1	46 Å²	46	0%	0.004	22%	0.218	C	C	.	.			trans	-60.2	144.3	165.9	-169.7	62.3	154.6	175.1	-6.2	110.5	G188 D204 Y354 Q511 D514 R538 L540 S541	G188-R206 PolarHBondContact O-N 3.36Å; D204-R206 WeakPolarHBondContact OD1-CB 3.3Å; D204-R206 PolarHBondContact OD1-N 2.88Å; R206-Y354 WeakPolarHBondContact O-CE2 3.3Å; R206-Y354 PolarHBondContact O-OH 3.04Å; R206-Q511 VanDerWaalsContact CZ-CD 3.45Å; R206-Q511 VanDerWaalsContact NH1-CD 3.34Å; R206-D514 IonicContact CZ-OD2 3.44Å; R206-D514 IonicContact NH1-OD2 3.72Å; R206-D514 IonicContact NH2-OD2 2.71Å; R206-D514 PolarHBondContact NH2-OD2 2.89Å; R206-R538 HydrophobicContact CG-CB 4.33Å; R206-L540 PolarHBondContact NH2-O 2.81Å; R206-S541 VanDerWaalsContact NH2-CB 3.29Å; R206-S541 PolarHBondContact NH2-OG 3.46Å
207	E	98.1	Very high	95.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.			trans	-69.1	146.4	178.2	-49.3	90.2	135.4	0	0	111	G186 G187 V232 Q511 P539	G186-E207 VanDerWaalsContact CA-OE1 3.28Å; G186-E207 WeakPolarHBondContact CA-OE1 3.4Å; G187-E207 WeakPolarHBondContact CA-OE2 3.43Å; G187-E207 PolarHBondContact N-OE1 3.47Å; E207-V232 VanDerWaalsContact CA-O 3.23Å; E207-V232 WeakPolarHBondContact CA-O 3.37Å; E207-V232 WeakPolarHBondContact CB-O 3.44Å; E207-V232 WeakPolarHBondContact CG-O 3.26Å; E207-Q511 HydrophobicContact CB-CB 4.04Å; E207-Q511 HydrophobicContact CB-CG 3.74Å; E207-Q511 VanDerWaalsContact CD-CG 3.47Å; E207-Q511 HydrophobicContact CG-CB 4.16Å; E207-Q511 HydrophobicContact CG-CG 4.06Å; E207-Q511 WeakPolarHBondContact OE2-CG 3.5Å; E207-P539 WeakPolarHBondContact O-CD 3.12Å
208	S	97.8	Very high	95.5	Very high	13 Å²	13	32.4 Å²	32.4	9%	0.091	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-104.6	152.9	176.2	59.6	0	0	0	0	111.6	G231 V232 Y354 G536 K537	S208-G231 WeakPolarHBondContact O-CA 3.42Å; S208-V232 PolarHBondContact O-N 3Å; S208-Y354 WeakPolarHBondContact OG-CD2 3.28Å; S208-G536 WeakPolarHBondContact CB-O 3.43Å; S208-K537 WeakPolarHBondContact CA-O 3.49Å
209	A	97.9	Very high	95.2	Very high	1 Å²	1	33 Å²	33	1%	0.008	17%	0.173	C	C	.	.			trans	-66	135.1	173.3	0	0	0	0	0	111.4	M512 F515 V533 Q534 G536 K537	A209-M512 HydrophobicContact CB-CE 4.42Å; A209-M512 HydrophobicContact CB-SD 3.78Å; A209-F515 HydrophobicContact CB-CE2 3.89Å; A209-F515 HydrophobicContact CB-CZ 4.11Å; A209-V533 HydrophobicContact CB-CG2 4.36Å; A209-Q534 VanDerWaalsContact CB-O 3.27Å; A209-Q534 WeakPolarHBondContact CB-O 3.31Å; A209-G536 WeakPolarHBondContact O-CA 3.42Å; A209-G536 PolarHBondContact O-N 3.15Å; A209-K537 PolarHBondContact N-O 2.71Å
210	P	97.9	Very high	94.9	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.013	19%	0.186	C	C	.	.			trans	-57.6	145.8	173.1	-24.9	34.4	0	0	0	112.7	A212 L213 V230 V345 I346	P210-A212 PolarHBondContact O-N 2.59Å; P210-L213 HydrophobicContact CB-CB 4.27Å; P210-L213 WeakPolarHBondContact O-CB 3.26Å; P210-L213 PolarHBondContact O-N 3.34Å; P210-V230 WeakPolarHBondContact CG-O 3.45Å; P210-V345 HydrophobicContact CB-CG2 4.27Å; P210-I346 HydrophobicContact CB-CB 4.34Å; P210-I346 HydrophobicContact CB-CG1 4.46Å; P210-I346 HydrophobicContact CG-CB 4.06Å; P210-I346 HydrophobicContact CG-CG1 4.21Å
211	G	96.5	Very high	94.4	Very high	32 Å²	32	37.9 Å²	37.9	33%	0.33	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.5	-175.3	0	0	0	0	0	114	D350 P535	G211-D350 PolarHBondContact N-OD1 2.92Å; G211-P535 WeakPolarHBondContact O-CG 3.4Å
212	A	95.8	Very high	93.9	Very high	52 Å²	52	38.1 Å²	38.1	43%	0.43	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.4	178.3	0	0	0	0	0	113.9	P210 V345	P210-A212 PolarHBondContact O-N 2.59Å; A212-V345 HydrophobicContact CB-CB 4.08Å; A212-V345 HydrophobicContact CB-CG2 4.42Å
213	L	95	Very high	93.4	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	22%	0.217	C	C	.	.			trans	-72	131.8	-178	-170.4	64.4	0	0	0	111.3	P210 L218 L228 V345 M512 V533	P210-L213 HydrophobicContact CB-CB 4.27Å; P210-L213 WeakPolarHBondContact O-CB 3.26Å; P210-L213 PolarHBondContact O-N 3.34Å; L213-L218 HydrophobicContact CD1-CD1 4.28Å; L213-L218 HydrophobicContact CD1-CD2 4.27Å; L213-L218 HydrophobicContact CD1-CG 3.97Å; L213-L218 HydrophobicContact CD2-CD1 4.02Å; L213-L218 HydrophobicContact CG-CD1 4.2Å; L213-L218 HydrophobicContact CG-CG 4.44Å; L213-L228 HydrophobicContact CD1-CD2 4.21Å; L213-V345 HydrophobicContact CB-CG2 3.87Å; L213-V345 HydrophobicContact CD1-CG2 3.77Å; L213-V345 HydrophobicContact CG-CG2 4.44Å; L213-M512 HydrophobicContact CD2-CB 4.42Å; L213-M512 HydrophobicContact CD2-CG 3.74Å; L213-M512 HydrophobicContact CD2-SD 3.51Å; L213-M512 VanDerWaalsContact CD2-SD 3.51Å; L213-V533 HydrophobicContact CD2-CG2 3.83Å; L213-V533 HydrophobicContact CG-CG2 4.4Å
214	R	91.5	Very high	93	Very high	145 Å²	145	49.1 Å²	49.1	55%	0.547	25%	0.246	S	C	.	.			trans	-127.6	142.3	178.9	-55.5	-60.1	175.3	101.4	-0.8	110.3	E216 T217 L218	R214-E216 VanDerWaalsContact C-N 3.27Å; R214-E216 WeakPolarHBondContact CB-OE2 3.14Å; R214-E216 PolarHBondContact O-N 2.87Å; R214-T217 WeakPolarHBondContact O-CB 3.42Å; R214-T217 PolarHBondContact O-N 3.49Å; R214-L218 PolarHBondContact O-N 3.41Å
215	E	90.6	Very high	92.8	Very high	52 Å²	52	53.1 Å²	53.1	24%	0.243	26%	0.263	C	S	.	.	H	α-helix	trans	-55.7	-41.7	-178.5	-162.3	-175.3	115	0	0	112.1	T217 L218 Q219 W517 P518 V533	E215-T217 PolarHBondContact O-N 2.78Å; E215-L218 WeakPolarHBondContact O-CB 3.22Å; E215-L218 PolarHBondContact O-N 3.12Å; E215-L218 VanDerWaalsContact O-N 3.16Å; E215-Q219 WeakPolarHBondContact O-CG 3.44Å; E215-Q219 PolarHBondContact O-N 3.13Å; E215-Q219 PolarHBondContact OE1-NE2 3Å; E215-W517 HydrophobicContact CG-CB 3.7Å; E215-P518 WeakPolarHBondContact OE1-CD 3.42Å; E215-V533 HydrophobicContact CB-CG1 3.77Å; E215-V533 HydrophobicContact CG-CG1 4.2Å
216	E	90.1	Very high	92.6	Very high	101 Å²	101	53.7 Å²	53.7	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-25	-178.1	-53.3	82.7	176.8	0	0	112.6	R214 R220	R214-E216 VanDerWaalsContact C-N 3.27Å; R214-E216 WeakPolarHBondContact CB-OE2 3.14Å; R214-E216 PolarHBondContact O-N 2.87Å; E216-R220 VanDerWaalsContact O-CG 3.29Å; E216-R220 WeakPolarHBondContact O-CG 3.44Å
217	T	89.3	Confident	92.6	Very high	49 Å²	49	53.7 Å²	53.7	30%	0.301	27%	0.267	S	S	.	.	H	α-helix	trans	-76.8	-40.6	177.1	-54.7	0	0	0	0	110.4	R214 E215 R220 S221 L228	R214-T217 WeakPolarHBondContact O-CB 3.42Å; R214-T217 PolarHBondContact O-N 3.49Å; E215-T217 PolarHBondContact O-N 2.78Å; T217-R220 PolarHBondContact O-N 3.47Å; T217-S221 PolarHBondContact O-N 2.99Å; T217-L228 HydrophobicContact CG2-CD1 4.01Å; T217-L228 HydrophobicContact CG2-CD2 3.86Å
218	L	88.4	Confident	92.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-55.1	173.2	-78	168.2	0	0	0	110.5	L213 R214 E215 R220 S221 W222 L228 W517 V533	L213-L218 HydrophobicContact CD1-CD1 4.28Å; L213-L218 HydrophobicContact CD1-CD2 4.27Å; L213-L218 HydrophobicContact CD1-CG 3.97Å; L213-L218 HydrophobicContact CD2-CD1 4.02Å; L213-L218 HydrophobicContact CG-CD1 4.2Å; L213-L218 HydrophobicContact CG-CG 4.44Å; R214-L218 PolarHBondContact O-N 3.41Å; E215-L218 WeakPolarHBondContact O-CB 3.22Å; E215-L218 PolarHBondContact O-N 3.12Å; E215-L218 VanDerWaalsContact O-N 3.16Å; L218-R220 PolarHBondContact O-N 3.23Å; L218-S221 PolarHBondContact O-N 2.99Å; L218-S221 VanDerWaalsContact O-N 3.09Å; L218-W222 HydrophobicContact CD2-CB 4.11Å; L218-W222 WeakPolarHBondContact O-CB 3.38Å; L218-W222 PolarHBondContact O-N 2.93Å; L218-L228 HydrophobicContact CD2-CB 4.03Å; L218-W517 HydrophobicContact CD1-CE3 4.43Å; L218-V533 HydrophobicContact CD1-CB 4.34Å; L218-V533 HydrophobicContact CD1-CG1 4.18Å; L218-V533 HydrophobicContact CD1-CG2 4.04Å
219	Q	87.4	Confident	92.5	Very high	74 Å²	74	54 Å²	54	35%	0.346	27%	0.267	S	S	.	.	H	α-helix	trans	-50.1	-34.6	-178.7	-72.6	178.4	22.5	0	0	113.7	E215 W517	E215-Q219 WeakPolarHBondContact O-CG 3.44Å; E215-Q219 PolarHBondContact O-N 3.13Å; E215-Q219 PolarHBondContact OE1-NE2 3Å; Q219-W517 HydrophobicContact CG-CB 4.48Å; Q219-W517 HydrophobicContact CG-CG 4.36Å
220	R	87.8	Confident	92.5	Very high	191 Å²	191	54 Å²	54	72%	0.721	27%	0.268	S	S	*	.	H	α-helix	trans	-88.4	-24	-175.8	-68.4	177.7	-158.2	146.8	7	114.8	E216 T217 L218	E216-R220 VanDerWaalsContact O-CG 3.29Å; E216-R220 WeakPolarHBondContact O-CG 3.44Å; T217-R220 PolarHBondContact O-N 3.47Å; L218-R220 PolarHBondContact O-N 3.23Å
221	S	88.6	Confident	92.5	Very high	27 Å²	27	54 Å²	54	19%	0.189	27%	0.267	C	S	.	.	H	α-helix	trans	-148.7	1.8	-161.1	-59.4	0	0	0	0	116	T217 L218 E223 T224 K225	T217-S221 PolarHBondContact O-N 2.99Å; L218-S221 PolarHBondContact O-N 2.99Å; L218-S221 VanDerWaalsContact O-N 3.09Å; S221-E223 PolarHBondContact O-N 2.95Å; S221-T224 PolarHBondContact O-N 3.49Å; S221-T224 PolarHBondContact O-OG1 3.41Å; S221-K225 WeakPolarHBondContact O-CB 3.42Å; S221-K225 PolarHBondContact O-N 3.08Å
222	W	87.7	Confident	92.6	Very high	56 Å²	56	52.5 Å²	52.5	21%	0.212	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-35.7	-176.8	76.2	-90.9	0	0	0	113.3	L218 T224 L229 L513 W517	L218-W222 HydrophobicContact CD2-CB 4.11Å; L218-W222 WeakPolarHBondContact O-CB 3.38Å; L218-W222 PolarHBondContact O-N 2.93Å; W222-T224 VanDerWaalsContact C-N 3.31Å; W222-T224 PolarHBondContact O-N 3.49Å; W222-L229 HydrophobicContact CB-CD2 4.04Å; W222-L229 HydrophobicContact CE3-CD2 4.09Å; W222-L513 HydrophobicContact CE3-CD2 3.81Å; W222-L513 HydrophobicContact CZ3-CD2 3.78Å; W222-W517 HydrophobicContact CD2-CZ2 4.35Å; W222-W517 HydrophobicContact CG-CZ2 4.21Å
223	E	88.2	Confident	92.8	Very high	132 Å²	132	50 Å²	50	62%	0.617	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.5	179.1	-63.9	-176.2	166.6	0	0	114.4	S221 N283	S221-E223 PolarHBondContact O-N 2.95Å; E223-N283 PolarHBondContact O-ND2 3.47Å
224	T	89.9	Confident	92.9	Very high	99 Å²	99	49.9 Å²	49.9	61%	0.607	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-14.7	-175.1	55.8	0	0	0	0	113.3	S221 W222 P226	S221-T224 PolarHBondContact O-N 3.49Å; S221-T224 PolarHBondContact O-OG1 3.41Å; W222-T224 VanDerWaalsContact C-N 3.31Å; W222-T224 PolarHBondContact O-N 3.49Å; T224-P226 WeakPolarHBondContact O-CD 3.26Å
225	K	94.6	Very high	93.3	Very high	85 Å²	85	43 Å²	43	37%	0.37	20%	0.204	S	C	.	.			trans	-122.5	82.3	-178.4	-65.3	-176.5	-179.3	178	0	109.5	S221 G227 L228 A342	S221-K225 WeakPolarHBondContact O-CB 3.42Å; S221-K225 PolarHBondContact O-N 3.08Å; K225-G227 PolarHBondContact O-N 3.35Å; K225-G227 VanDerWaalsContact O-N 3.07Å; K225-L228 HydrophobicContact CB-CD1 3.87Å; K225-L228 HydrophobicContact CB-CG 3.97Å; K225-L228 HydrophobicContact CD-CD1 4.18Å; K225-L228 WeakPolarHBondContact O-CB 3.22Å; K225-L228 PolarHBondContact O-N 3.16Å; K225-A342 CarbonylContact C-O 3.5Å; K225-A342 WeakPolarHBondContact CA-O 3.43Å
226	P	95.3	Very high	93.6	Very high	12 Å²	12	40.7 Å²	40.7	8%	0.078	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-61	-21	-176.9	24.9	-33.5	0	0	0	112.8	T224 L228 L229 N283 A342 L500	T224-P226 WeakPolarHBondContact O-CD 3.26Å; P226-L228 PolarHBondContact O-N 3.32Å; P226-L229 WeakPolarHBondContact O-CB 3.24Å; P226-L229 PolarHBondContact O-N 2.96Å; P226-N283 HydrophobicContact CB-CB 4.29Å; P226-N283 HydrophobicContact CG-CB 3.73Å; P226-A342 HydrophobicContact CG-CB 4.15Å; P226-L500 HydrophobicContact CB-CD1 4.48Å; P226-L500 HydrophobicContact CB-CG 4.46Å; P226-L500 HydrophobicContact CG-CD2 4.1Å; P226-L500 HydrophobicContact CG-CG 4.45Å
227	G	97.3	Very high	94	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-63	-23.2	173.2	0	0	0	0	0	114.2	K225 L229 A339 A342 G344	K225-G227 PolarHBondContact O-N 3.35Å; K225-G227 VanDerWaalsContact O-N 3.07Å; G227-L229 PolarHBondContact O-N 3.22Å; G227-A339 WeakPolarHBondContact CA-O 3.36Å; G227-A342 PolarHBondContact N-O 3.07Å; G227-A342 VanDerWaalsContact N-O 3.14Å; G227-G344 WeakPolarHBondContact O-CA 3.45Å
228	L	96.8	Very high	94.5	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-71.2	-18.8	174.2	-67.6	176.3	0	0	0	112.7	L213 T217 L218 K225 P226 V230 G343 V345	L213-L228 HydrophobicContact CD1-CD2 4.21Å; T217-L228 HydrophobicContact CG2-CD1 4.01Å; T217-L228 HydrophobicContact CG2-CD2 3.86Å; L218-L228 HydrophobicContact CD2-CB 4.03Å; K225-L228 HydrophobicContact CB-CD1 3.87Å; K225-L228 HydrophobicContact CB-CG 3.97Å; K225-L228 HydrophobicContact CD-CD1 4.18Å; K225-L228 WeakPolarHBondContact O-CB 3.22Å; K225-L228 PolarHBondContact O-N 3.16Å; P226-L228 PolarHBondContact O-N 3.32Å; L228-V230 VanDerWaalsContact C-N 3.32Å; L228-G343 VanDerWaalsContact CD2-O 3.28Å; L228-G343 WeakPolarHBondContact CD2-O 3.48Å; L228-G343 WeakPolarHBondContact CG-O 3.33Å; L228-V345 HydrophobicContact CD2-CG1 4.03Å; L228-V345 HydrophobicContact CD2-CG2 4.49Å
229	L	95.8	Very high	95	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.084	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-82.7	-15.5	-178.1	-52.6	-178.2	0	0	0	112.6	W222 P226 G227 G231 S510 Q511 M512 L513	W222-L229 HydrophobicContact CB-CD2 4.04Å; W222-L229 HydrophobicContact CE3-CD2 4.09Å; P226-L229 WeakPolarHBondContact O-CB 3.24Å; P226-L229 PolarHBondContact O-N 2.96Å; G227-L229 PolarHBondContact O-N 3.22Å; L229-G231 PolarHBondContact O-N 3.11Å; L229-S510 CarbonylContact O-C 3.44Å; L229-S510 WeakPolarHBondContact O-CA 3.28Å; L229-Q511 PolarHBondContact O-N 2.91Å; L229-M512 WeakPolarHBondContact O-CG 3.33Å; L229-M512 PolarHBondContact O-N 2.88Å; L229-L513 HydrophobicContact CD1-CD1 4.28Å; L229-L513 HydrophobicContact CD1-CG 4.43Å; L229-L513 HydrophobicContact CD2-CD2 3.78Å; L229-L513 HydrophobicContact CD2-CG 4.06Å
230	V	98.3	Very high	95.5	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	16%	0.16	C	C	.	.			trans	-77.2	113.4	-173.9	-177	0	0	0	0	110.1	P210 L228 A339 I346 L500 L508	P210-V230 WeakPolarHBondContact CG-O 3.45Å; L228-V230 VanDerWaalsContact C-N 3.32Å; V230-A339 HydrophobicContact CG2-CB 4.41Å; V230-I346 HydrophobicContact CG1-CD1 4.31Å; V230-L500 HydrophobicContact CG2-CD1 4.26Å; V230-L508 HydrophobicContact CG1-CB 4.18Å; V230-L508 HydrophobicContact CG1-CD1 4.32Å; V230-L508 HydrophobicContact CG2-CB 3.98Å; V230-L508 HydrophobicContact CG2-CD1 4.23Å
231	G	98.3	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.			trans	-84.1	165.9	162.9	0	0	0	0	0	111.7	S208 L229 P233 N509	S208-G231 WeakPolarHBondContact O-CA 3.42Å; L229-G231 PolarHBondContact O-N 3.11Å; G231-P233 WeakPolarHBondContact O-CD 3.13Å; G231-N509 PolarHBondContact N-OD1 3.49Å; G231-N509 PolarHBondContact O-ND2 3.33Å
232	V	98.6	Very high	96.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-67.6	115.3	177.7	-169.8	0	0	0	0	110	E207 S208 G234 I346 D350 F351 Y354	E207-V232 VanDerWaalsContact CA-O 3.23Å; E207-V232 WeakPolarHBondContact CA-O 3.37Å; E207-V232 WeakPolarHBondContact CB-O 3.44Å; E207-V232 WeakPolarHBondContact CG-O 3.26Å; S208-V232 PolarHBondContact O-N 3Å; V232-G234 PolarHBondContact O-N 3.19Å; V232-I346 HydrophobicContact CB-CD1 4.45Å; V232-I346 HydrophobicContact CG2-CD1 4.04Å; V232-I346 HydrophobicContact CG2-CG1 4.43Å; V232-D350 HydrophobicContact CG2-CB 3.67Å; V232-F351 HydrophobicContact CG1-CD1 4.19Å; V232-F351 HydrophobicContact CG1-CE1 4.47Å; V232-F351 HydrophobicContact CG1-CG 4.25Å; V232-Y354 HydrophobicContact CB-CD2 3.99Å; V232-Y354 HydrophobicContact CG1-CD2 3.87Å; V232-Y354 HydrophobicContact CG1-CG 3.89Å
233	P	98.6	Very high	97	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.			trans	-62.4	133	-175.2	-23.7	34.4	0	0	0	113.4	G231 F325 Y326 M335 F351	G231-P233 WeakPolarHBondContact O-CD 3.13Å; P233-F325 HydrophobicContact CB-CE1 3.96Å; P233-F325 HydrophobicContact CB-CZ 4.05Å; P233-F325 HydrophobicContact CG-CE1 4.41Å; P233-F325 HydrophobicContact CG-CZ 4.45Å; P233-Y326 VanDerWaalsContact O-CE1 3.24Å; P233-Y326 WeakPolarHBondContact O-CE1 3.41Å; P233-Y326 PolarHBondContact O-OH 2.91Å; P233-M335 HydrophobicContact CG-SD 4.4Å; P233-F351 HydrophobicContact CG-CE1 4.28Å; P233-F351 HydrophobicContact CG-CZ 4.41Å
234	G	98.5	Very high	97.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.121	C	C	.	.			trans	-104.6	-19	-176.1	0	0	0	0	0	116.2	G186 F205 V232 V236 K237 G238 Y354	G186-G234 PolarHBondContact O-N 2.79Å; F205-G234 WeakPolarHBondContact CB-O 3.43Å; F205-G234 WeakPolarHBondContact O-CA 3.4Å; V232-G234 PolarHBondContact O-N 3.19Å; G234-V236 PolarHBondContact O-N 2.83Å; G234-K237 PolarHBondContact O-N 3.04Å; G234-K237 VanDerWaalsContact O-N 3.13Å; G234-G238 PolarHBondContact O-N 2.83Å; G234-Y354 VanDerWaalsContact CA-CE1 3.47Å; G234-Y354 VanDerWaalsContact CA-CZ 3.42Å; G234-Y354 WeakPolarHBondContact CA-OH 3.39Å
235	M	98.6	Very high	97.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-49.2	-51.4	-169.3	-174.6	67	125.2	0	0	113.5	A171 S182 G186 F205 K237 G238 L239 M488	A171-M235 HydrophobicContact CB-CE 4.4Å; S182-M235 WeakPolarHBondContact OG-CE 3.31Å; G186-M235 WeakPolarHBondContact O-CB 3.37Å; G186-M235 PolarHBondContact O-N 3.28Å; F205-M235 HydrophobicContact CD2-SD 4.49Å; F205-M235 HydrophobicContact CE2-SD 3.83Å; M235-K237 PolarHBondContact O-N 3.17Å; M235-G238 PolarHBondContact O-N 3.37Å; M235-L239 HydrophobicContact CG-CD1 3.99Å; M235-L239 HydrophobicContact CG-CG 4.43Å; M235-L239 WeakPolarHBondContact O-CB 3.21Å; M235-L239 VanDerWaalsContact O-CG 3.26Å; M235-L239 WeakPolarHBondContact O-CG 3.38Å; M235-L239 PolarHBondContact O-N 2.85Å; M235-L239 HydrophobicContact SD-CD1 3.89Å; M235-L239 HydrophobicContact SD-CG 4.08Å; M235-M488 HydrophobicContact CE-CE 4.01Å; M235-M488 HydrophobicContact SD-CE 3.81Å
236	V	98.5	Very high	98	Very high	4 Å²	4	21 Å²	21	2%	0.024	10%	0.101	C	C	.	.	H	α-helix	trans	-65.2	-42.4	-175.8	175.2	0	0	0	0	111.7	L184 G234 H240 L317 P322 F325 Y326	L184-V236 HydrophobicContact CD2-CG2 3.85Å; G234-V236 PolarHBondContact O-N 2.83Å; V236-H240 VanDerWaalsContact O-CB 3.3Å; V236-H240 WeakPolarHBondContact O-CB 3.15Å; V236-H240 PolarHBondContact O-N 3.13Å; V236-H240 VanDerWaalsContact O-N 3.08Å; V236-L317 HydrophobicContact CG1-CD1 4.32Å; V236-L317 HydrophobicContact CG1-CD2 4.18Å; V236-L317 HydrophobicContact CG2-CD1 3.9Å; V236-P322 HydrophobicContact CG1-CB 4Å; V236-F325 HydrophobicContact CB-CD2 4.47Å; V236-F325 HydrophobicContact CB-CG 4.29Å; V236-F325 HydrophobicContact CG1-CB 4.25Å; V236-F325 HydrophobicContact CG1-CG 4.49Å; V236-F325 HydrophobicContact CG2-CD2 3.8Å; V236-F325 HydrophobicContact CG2-CE2 3.96Å; V236-F325 HydrophobicContact CG2-CG 4.12Å; V236-F325 HydrophobicContact CG2-CZ 4.4Å; V236-Y326 HydrophobicContact CB-CE2 3.97Å; V236-Y326 HydrophobicContact CG1-CE2 4.16Å
237	K	98.3	Very high	98.2	Very high	63 Å²	63	21.9 Å²	21.9	27%	0.274	11%	0.111	S	C	.	.	H	α-helix	trans	-65.1	-45.7	177.2	-93.2	-75	171.9	-179.8	0	112	G234 M235 H240 E241 Y326 Y354 A356	G234-K237 PolarHBondContact O-N 3.04Å; G234-K237 VanDerWaalsContact O-N 3.13Å; M235-K237 PolarHBondContact O-N 3.17Å; K237-H240 PolarHBondContact O-N 2.99Å; K237-E241 WeakPolarHBondContact O-CB 3.48Å; K237-E241 PolarHBondContact O-N 3.38Å; K237-Y326 HydrophobicContact CB-CE2 4.03Å; K237-Y326 HydrophobicContact CD-CE2 4.47Å; K237-Y326 HydrophobicContact CG-CD2 3.77Å; K237-Y326 HydrophobicContact CG-CE1 4.16Å; K237-Y326 HydrophobicContact CG-CE2 3.33Å; K237-Y326 HydrophobicContact CG-CG 4.4Å; K237-Y326 PolarHBondContact N-OH 3.39Å; K237-Y354 HydrophobicContact CB-CD1 4.31Å; K237-Y354 HydrophobicContact CB-CE1 4.02Å; K237-Y354 HydrophobicContact CG-CD1 4.31Å; K237-A356 HydrophobicContact CB-CB 4.4Å
238	G	98.5	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.2	-47.6	179.6	0	0	0	0	0	113.6	F205 G234 M235 H240 E241 A242	F205-G238 VanDerWaalsContact CB-CA 3.46Å; G234-G238 PolarHBondContact O-N 2.83Å; M235-G238 PolarHBondContact O-N 3.37Å; G238-H240 VanDerWaalsContact C-N 3.32Å; G238-H240 PolarHBondContact O-N 3.44Å; G238-E241 PolarHBondContact O-N 3.27Å; G238-A242 WeakPolarHBondContact O-CB 3.09Å; G238-A242 PolarHBondContact O-N 3.08Å
239	L	98.8	Very high	98.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-63.9	-38.6	178.2	-67.8	-175.7	0	0	0	112	V168 A171 L172 M190 M235 H243 W251 M488	V168-L239 HydrophobicContact CG1-CB 4.19Å; V168-L239 HydrophobicContact CG1-CD1 4.34Å; V168-L239 HydrophobicContact CG2-CB 4.17Å; V168-L239 HydrophobicContact CG2-CD2 4.09Å; A171-L239 HydrophobicContact CB-CD1 4.36Å; A171-L239 HydrophobicContact CB-CD2 4.24Å; L172-L239 HydrophobicContact CD2-CD1 3.71Å; L172-L239 HydrophobicContact CG-CD1 3.86Å; M190-L239 HydrophobicContact CE-CD2 3.88Å; M235-L239 HydrophobicContact CG-CD1 3.99Å; M235-L239 HydrophobicContact CG-CG 4.43Å; M235-L239 WeakPolarHBondContact O-CB 3.21Å; M235-L239 VanDerWaalsContact O-CG 3.26Å; M235-L239 WeakPolarHBondContact O-CG 3.38Å; M235-L239 PolarHBondContact O-N 2.85Å; M235-L239 HydrophobicContact SD-CD1 3.89Å; M235-L239 HydrophobicContact SD-CG 4.08Å; L239-H243 WeakPolarHBondContact O-CB 3.44Å; L239-H243 PolarHBondContact O-N 3Å; L239-W251 HydrophobicContact CB-CH2 4.15Å; L239-M488 HydrophobicContact CD2-CE 3.9Å; L239-M488 HydrophobicContact CD2-SD 3.83Å
240	H	98.7	Very high	98.4	Very high	26 Å²	26	32.4 Å²	32.4	12%	0.12	16%	0.161	C	C	.	.	H	α-helix	trans	-68.7	-42	176.7	-170.5	56	0	0	0	112.3	V236 K237 G238 H243 Q244 W251 P322	V236-H240 VanDerWaalsContact O-CB 3.3Å; V236-H240 WeakPolarHBondContact O-CB 3.15Å; V236-H240 PolarHBondContact O-N 3.13Å; V236-H240 VanDerWaalsContact O-N 3.08Å; K237-H240 PolarHBondContact O-N 2.99Å; G238-H240 VanDerWaalsContact C-N 3.32Å; G238-H240 PolarHBondContact O-N 3.44Å; H240-H243 WeakPolarHBondContact O-CB 3.5Å; H240-H243 PolarHBondContact O-N 3.34Å; H240-Q244 PolarHBondContact CD2-NE2 3.37Å; H240-Q244 PolarHBondContact NE2-NE2 2.97Å; H240-Q244 WeakPolarHBondContact O-CG 3.36Å; H240-Q244 PolarHBondContact O-N 3.17Å; H240-W251 HydrophobicContact CB-CH2 3.89Å; H240-W251 HydrophobicContact CB-CZ2 4.07Å; H240-W251 HydrophobicContact CB-CZ3 4.31Å; H240-W251 AromaticContact ND1-CD2 3.59Å; H240-W251 AromaticContact ND1-CE2 3.73Å; H240-W251 AromaticContact ND1-CE3 3.77Å; H240-P322 HydrophobicContact CB-CB 4.47Å; H240-P322 HydrophobicContact CB-CG 4.43Å; H240-P322 WeakPolarHBondContact CD2-CG 3.42Å
241	E	98.6	Very high	98.4	Very high	58 Å²	58	33.5 Å²	33.5	27%	0.271	17%	0.165	S	C	.	.	H	α-helix	trans	-60.3	-47.1	176.7	-167.3	66.4	-160	0	0	111	I203 K237 G238 H243 Q244 L245 V358	I203-E241 HydrophobicContact CG2-CB 4.27Å; I203-E241 HydrophobicContact CG2-CG 4.45Å; K237-E241 WeakPolarHBondContact O-CB 3.48Å; K237-E241 PolarHBondContact O-N 3.38Å; G238-E241 PolarHBondContact O-N 3.27Å; E241-H243 VanDerWaalsContact C-N 3.31Å; E241-H243 PolarHBondContact O-N 2.65Å; E241-Q244 PolarHBondContact O-N 2.61Å; E241-Q244 VanDerWaalsContact O-N 3.17Å; E241-L245 WeakPolarHBondContact O-CG 3.3Å; E241-L245 PolarHBondContact O-N 2.9Å; E241-L245 VanDerWaalsContact O-N 3.08Å; E241-V358 HydrophobicContact CG-CG2 3.64Å
242	A	98.6	Very high	98.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-42.5	175.4	0	0	0	0	0	111.9	V164 M190 I203 G238 L245 Y246	V164-A242 HydrophobicContact CG1-CB 3.85Å; M190-A242 HydrophobicContact CE-CB 4.15Å; M190-A242 HydrophobicContact SD-CB 3.55Å; M190-A242 VanDerWaalsContact SD-CB 3.55Å; I203-A242 HydrophobicContact CD1-CB 4.29Å; I203-A242 HydrophobicContact CG1-CB 4.33Å; G238-A242 WeakPolarHBondContact O-CB 3.09Å; G238-A242 PolarHBondContact O-N 3.08Å; A242-L245 PolarHBondContact O-N 3Å; A242-Y246 PolarHBondContact O-N 3.33Å
243	H	98.7	Very high	98.4	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.083	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-37	175.9	179.4	78.4	0	0	0	112.8	D165 L239 H240 E241 L245 G247 L249 W251	D165-H243 IonicContact OD1-CE1 3.87Å; D165-H243 PolarHBondContact OD1-CE1 3.44Å; D165-H243 IonicContact OD1-ND1 3.7Å; D165-H243 PolarHBondContact OD1-ND1 2.83Å; L239-H243 WeakPolarHBondContact O-CB 3.44Å; L239-H243 PolarHBondContact O-N 3Å; H240-H243 WeakPolarHBondContact O-CB 3.5Å; H240-H243 PolarHBondContact O-N 3.34Å; E241-H243 VanDerWaalsContact C-N 3.31Å; E241-H243 PolarHBondContact O-N 2.65Å; H243-L245 VanDerWaalsContact C-N 3.32Å; H243-L245 PolarHBondContact O-N 3.13Å; H243-G247 WeakPolarHBondContact O-CA 3.29Å; H243-G247 PolarHBondContact O-N 3.46Å; H243-L249 PolarHBondContact CE1-O 3.06Å; H243-L249 PolarHBondContact NE2-O 3.33Å; H243-W251 HydrophobicContact CB-CE3 3.83Å; H243-W251 HydrophobicContact CB-CZ3 3.75Å; H243-W251 AromaticContact CD2-CE3 3.49Å; H243-W251 VanDerWaalsContact CD2-CE3 3.49Å; H243-W251 AromaticContact CG-CE3 3.57Å; H243-W251 WeakPolarHBondContact NE2-CA 3.32Å; H243-W251 PolarHBondContact NE2-N 3.2Å
244	Q	98.4	Very high	98.4	Very high	124 Å²	124	40.3 Å²	40.3	58%	0.579	20%	0.203	S	C	*	.	H	α-helix	trans	-65.2	-37.4	174.9	-73.2	-168.9	-1.8	0	0	112.2	H240 E241	H240-Q244 PolarHBondContact CD2-NE2 3.37Å; H240-Q244 PolarHBondContact NE2-NE2 2.97Å; H240-Q244 WeakPolarHBondContact O-CG 3.36Å; H240-Q244 PolarHBondContact O-N 3.17Å; E241-Q244 PolarHBondContact O-N 2.61Å; E241-Q244 VanDerWaalsContact O-N 3.17Å
245	L	97.9	Very high	98.4	Very high	81 Å²	81	40.4 Å²	40.4	42%	0.424	20%	0.204	S	C	.	.	H	α-helix	trans	-75.9	-39.9	-178.7	-68	172.3	0	0	0	113.1	E241 A242 H243 V358	E241-L245 WeakPolarHBondContact O-CG 3.3Å; E241-L245 PolarHBondContact O-N 2.9Å; E241-L245 VanDerWaalsContact O-N 3.08Å; A242-L245 PolarHBondContact O-N 3Å; H243-L245 VanDerWaalsContact C-N 3.32Å; H243-L245 PolarHBondContact O-N 3.13Å; L245-V358 HydrophobicContact CD1-CG1 4.08Å; L245-V358 HydrophobicContact CD1-CG2 4.15Å
246	Y	98.1	Very high	98.4	Very high	30 Å²	30	42.6 Å²	42.6	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-131.4	-8.5	-166.5	-56.6	-69.1	0	0	0	114.9	S162 V164 V192 H201 I203 A242 F484	S162-Y246 WeakPolarHBondContact CB-O 3.36Å; S162-Y246 PolarHBondContact OG-O 2.73Å; V164-Y246 VanDerWaalsContact CG2-CB 3.47Å; V164-Y246 HydrophobicContact CG2-CD2 4.15Å; V164-Y246 HydrophobicContact CG2-CG 4.03Å; V192-Y246 HydrophobicContact CB-CD2 4.3Å; V192-Y246 HydrophobicContact CB-CE2 3.95Å; V192-Y246 HydrophobicContact CG1-CD1 4.25Å; V192-Y246 HydrophobicContact CG1-CD2 4.05Å; V192-Y246 HydrophobicContact CG1-CE1 4.19Å; V192-Y246 HydrophobicContact CG1-CE2 3.99Å; V192-Y246 HydrophobicContact CG1-CG 4.19Å; V192-Y246 HydrophobicContact CG2-CD2 4.12Å; V192-Y246 HydrophobicContact CG2-CE2 4.09Å; H201-Y246 WeakPolarHBondContact CB-OH 3.32Å; H201-Y246 PolarHBondContact CD2-OH 2.68Å; I203-Y246 HydrophobicContact CD1-CE2 4.37Å; A242-Y246 PolarHBondContact O-N 3.33Å; Y246-F484 HydrophobicContact CD1-CD1 4.45Å; Y246-F484 AromaticContact CD1-CE1 3.84Å; Y246-F484 HydrophobicContact CD1-CE1 3.84Å; Y246-F484 HydrophobicContact CD1-CE2 4.29Å; Y246-F484 AromaticContact CD1-CZ 3.77Å; Y246-F484 HydrophobicContact CD1-CZ 3.77Å; Y246-F484 HydrophobicContact CE1-CE1 4.29Å
247	G	97.8	Very high	98.4	Very high	29 Å²	29	43.6 Å²	43.6	30%	0.299	23%	0.226	S	C	.	.			trans	-66.6	156	-178	0	0	0	0	0	113	D165 H243	D165-G247 WeakPolarHBondContact OD1-CA 3.31Å; H243-G247 WeakPolarHBondContact O-CA 3.29Å; H243-G247 PolarHBondContact O-N 3.46Å
248	R	97.7	Very high	98.4	Very high	142 Å²	142	40.6 Å²	40.6	54%	0.536	21%	0.213	S	C	.	.			trans	-127.5	-40.2	179.6	-172.1	-173.2	-69.9	164	-0.2	112.4	Q160 D165	Q160-R248 WeakPolarHBondContact O-CD 3.29Å; Q160-R248 PolarHBondContact O-NH1 2.89Å; D165-R248 PolarHBondContact OD1-N 2.96Å; D165-R248 WeakPolarHBondContact OD2-CA 3.46Å; D165-R248 WeakPolarHBondContact OD2-CB 3.07Å; D165-R248 PolarHBondContact OD2-N 3.49Å
249	L	98.3	Very high	98.4	Very high	23 Å²	23	40.9 Å²	40.9	12%	0.12	22%	0.215	C	C	.	.	S	Bend	trans	-74.2	161.2	175.6	-62.1	-178	0	0	0	110.7	V156 D165 H243 V254 F257	V156-L249 HydrophobicContact CG1-CD1 4.12Å; D165-L249 PolarHBondContact OD2-N 3.34Å; H243-L249 PolarHBondContact CE1-O 3.06Å; H243-L249 PolarHBondContact NE2-O 3.33Å; L249-V254 HydrophobicContact CB-CG2 3.86Å; L249-F257 HydrophobicContact CD1-CE2 3.99Å
250	P	98.4	Very high	98.4	Very high	76 Å²	76	42.9 Å²	42.9	49%	0.494	23%	0.232	S	C	.	.			trans	-60.9	137.4	165.7	-21.5	33.8	0	0	0	111	S252 Q253 V254	P250-S252 VanDerWaalsContact C-N 3.27Å; P250-S252 PolarHBondContact O-N 3.48Å; P250-Q253 HydrophobicContact CB-CB 4.35Å; P250-Q253 WeakPolarHBondContact O-CA 3.38Å; P250-Q253 VanDerWaalsContact O-CB 3.32Å; P250-Q253 WeakPolarHBondContact O-CB 3.39Å; P250-Q253 PolarHBondContact O-N 3.25Å; P250-V254 PolarHBondContact O-N 3.15Å; P250-V254 VanDerWaalsContact O-N 3.15Å
251	W	98.4	Very high	98.4	Very high	26 Å²	26	41.7 Å²	41.7	10%	0.098	23%	0.226	C	C	.	.	H	α-helix	trans	-48.7	-46.1	178.3	177.2	-111.8	0	0	0	113.3	V168 L239 H240 H243 Q253 V254 L255 L317	V168-W251 HydrophobicContact CG1-CH2 4.18Å; V168-W251 HydrophobicContact CG1-CZ3 3.8Å; L239-W251 HydrophobicContact CB-CH2 4.15Å; H240-W251 HydrophobicContact CB-CH2 3.89Å; H240-W251 HydrophobicContact CB-CZ2 4.07Å; H240-W251 HydrophobicContact CB-CZ3 4.31Å; H240-W251 AromaticContact ND1-CD2 3.59Å; H240-W251 AromaticContact ND1-CE2 3.73Å; H240-W251 AromaticContact ND1-CE3 3.77Å; H243-W251 HydrophobicContact CB-CE3 3.83Å; H243-W251 HydrophobicContact CB-CZ3 3.75Å; H243-W251 AromaticContact CD2-CE3 3.49Å; H243-W251 VanDerWaalsContact CD2-CE3 3.49Å; H243-W251 AromaticContact CG-CE3 3.57Å; H243-W251 WeakPolarHBondContact NE2-CA 3.32Å; H243-W251 PolarHBondContact NE2-N 3.2Å; W251-Q253 PolarHBondContact O-N 2.95Å; W251-V254 PolarHBondContact O-N 2.99Å; W251-V254 VanDerWaalsContact O-N 3.13Å; W251-L255 HydrophobicContact CD2-CD1 3.57Å; W251-L255 HydrophobicContact CE3-CD1 3.76Å; W251-L255 HydrophobicContact CG-CD1 4.28Å; W251-L255 HydrophobicContact CH2-CD1 3.68Å; W251-L255 HydrophobicContact CZ2-CD1 3.44Å; W251-L255 VanDerWaalsContact CZ2-CD1 3.44Å; W251-L255 HydrophobicContact CZ2-CD2 3.89Å; W251-L255 HydrophobicContact CZ2-CG 4.3Å; W251-L255 HydrophobicContact CZ3-CD1 3.83Å; W251-L255 WeakPolarHBondContact O-CD1 3.43Å; W251-L255 PolarHBondContact O-N 2.78Å; W251-L317 PolarHBondContact NE1-O 3.31Å
252	S	98.4	Very high	98.3	Very high	61 Å²	61	38.9 Å²	38.9	43%	0.427	21%	0.213	S	C	.	.	H	α-helix	trans	-58.3	-36.2	177.1	56.1	0	0	0	0	113.1	P250 A256 G318	P250-S252 VanDerWaalsContact C-N 3.27Å; P250-S252 PolarHBondContact O-N 3.48Å; S252-A256 WeakPolarHBondContact O-CB 3.12Å; S252-A256 PolarHBondContact O-N 3.4Å; S252-G318 WeakPolarHBondContact CB-O 3.05Å
253	Q	98.5	Very high	98.3	Very high	84 Å²	84	43.9 Å²	43.9	39%	0.393	24%	0.237	S	C	.	.	H	α-helix	trans	-71.1	-39.6	177.7	-170.1	175.9	18.3	0	0	111.4	P250 W251 L255 A256 F257	P250-Q253 HydrophobicContact CB-CB 4.35Å; P250-Q253 WeakPolarHBondContact O-CA 3.38Å; P250-Q253 VanDerWaalsContact O-CB 3.32Å; P250-Q253 WeakPolarHBondContact O-CB 3.39Å; P250-Q253 PolarHBondContact O-N 3.25Å; W251-Q253 PolarHBondContact O-N 2.95Å; Q253-L255 VanDerWaalsContact C-N 3.32Å; Q253-L255 PolarHBondContact O-N 3.41Å; Q253-A256 PolarHBondContact O-N 2.86Å; Q253-F257 HydrophobicContact CG-CE2 4.05Å; Q253-F257 WeakPolarHBondContact O-CD2 3.41Å; Q253-F257 PolarHBondContact O-N 3.48Å
254	V	98.6	Very high	98.3	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-43.9	175.8	-177.8	0	0	0	0	110.7	D165 V168 A169 L249 P250 W251 F257	D165-V254 HydrophobicContact CB-CG2 3.99Å; V168-V254 HydrophobicContact CB-CG1 3.9Å; V168-V254 HydrophobicContact CG1-CG1 3.57Å; A169-V254 HydrophobicContact CB-CG1 4.14Å; L249-V254 HydrophobicContact CB-CG2 3.86Å; P250-V254 PolarHBondContact O-N 3.15Å; P250-V254 VanDerWaalsContact O-N 3.15Å; W251-V254 PolarHBondContact O-N 2.99Å; W251-V254 VanDerWaalsContact O-N 3.13Å; V254-F257 PolarHBondContact O-N 3.11Å
255	L	98.6	Very high	98.2	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-70.7	-36.2	179.6	-88.4	63.9	0	0	0	112.3	L172 W251 Q253 F257 A258 A259 L314 L317	L172-L255 HydrophobicContact CD1-CD1 3.92Å; L172-L255 HydrophobicContact CD1-CG 3.89Å; W251-L255 HydrophobicContact CD2-CD1 3.57Å; W251-L255 HydrophobicContact CE3-CD1 3.76Å; W251-L255 HydrophobicContact CG-CD1 4.28Å; W251-L255 HydrophobicContact CH2-CD1 3.68Å; W251-L255 HydrophobicContact CZ2-CD1 3.44Å; W251-L255 VanDerWaalsContact CZ2-CD1 3.44Å; W251-L255 HydrophobicContact CZ2-CD2 3.89Å; W251-L255 HydrophobicContact CZ2-CG 4.3Å; W251-L255 HydrophobicContact CZ3-CD1 3.83Å; W251-L255 WeakPolarHBondContact O-CD1 3.43Å; W251-L255 PolarHBondContact O-N 2.78Å; Q253-L255 VanDerWaalsContact C-N 3.32Å; Q253-L255 PolarHBondContact O-N 3.41Å; L255-F257 PolarHBondContact O-N 3.25Å; L255-A258 PolarHBondContact O-N 3.4Å; L255-A259 WeakPolarHBondContact O-CB 3.46Å; L255-A259 PolarHBondContact O-N 2.79Å; L255-L314 WeakPolarHBondContact CD2-O 3.5Å; L255-L314 HydrophobicContact CG-CD2 4.45Å; L255-L317 HydrophobicContact CD2-CB 3.5Å; L255-L317 VanDerWaalsContact CD2-CB 3.5Å
256	A	98.6	Very high	98.1	Very high	46 Å²	46	39.1 Å²	39.1	38%	0.38	22%	0.218	S	C	.	.	H	α-helix	trans	-58.4	-33.8	177.2	0	0	0	0	0	112.8	S252 Q253 A258 A259 A260	S252-A256 WeakPolarHBondContact O-CB 3.12Å; S252-A256 PolarHBondContact O-N 3.4Å; Q253-A256 PolarHBondContact O-N 2.86Å; A256-A258 PolarHBondContact O-N 3.02Å; A256-A259 PolarHBondContact O-N 3.39Å; A256-A260 WeakPolarHBondContact O-CB 3.48Å; A256-A260 PolarHBondContact O-N 2.89Å
257	F	98.4	Very high	98	Very high	26 Å²	26	42.7 Å²	42.7	11%	0.114	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-45.1	174	-74.8	-67.3	0	0	0	112.2	L152 E155 V156 K159 A169 L249 Q253 V254 L255	L152-F257 HydrophobicContact CD1-CB 3.98Å; L152-F257 HydrophobicContact CD1-CD1 4.41Å; L152-F257 HydrophobicContact CD2-CB 4.42Å; L152-F257 HydrophobicContact CG-CB 4.37Å; E155-F257 HydrophobicContact CG-CE1 4.24Å; V156-F257 HydrophobicContact CG2-CB 4.36Å; V156-F257 HydrophobicContact CG2-CD1 4.34Å; V156-F257 HydrophobicContact CG2-CD2 3.64Å; V156-F257 HydrophobicContact CG2-CE2 3.92Å; V156-F257 HydrophobicContact CG2-CG 3.88Å; V156-F257 HydrophobicContact CG2-CZ 4.38Å; K159-F257 HydrophobicContact CB-CZ 4.29Å; K159-F257 HydrophobicContact CG-CE1 4.46Å; K159-F257 HydrophobicContact CG-CZ 4.09Å; A169-F257 HydrophobicContact CB-CB 4.4Å; L249-F257 HydrophobicContact CD1-CE2 3.99Å; Q253-F257 HydrophobicContact CG-CE2 4.05Å; Q253-F257 WeakPolarHBondContact O-CD2 3.41Å; Q253-F257 PolarHBondContact O-N 3.48Å; V254-F257 PolarHBondContact O-N 3.11Å; L255-F257 PolarHBondContact O-N 3.25Å
258	A	98.3	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-74.5	-37.6	177.4	0	0	0	0	0	112	L172 I176 L255 A256 A260 V261 A262 L314	L172-A258 HydrophobicContact CB-CB 3.54Å; L172-A258 HydrophobicContact CD1-CB 4.33Å; I176-A258 HydrophobicContact CD1-CB 4.22Å; I176-A258 WeakPolarHBondContact CD1-O 3.44Å; L255-A258 PolarHBondContact O-N 3.4Å; A256-A258 PolarHBondContact O-N 3.02Å; A258-A260 VanDerWaalsContact C-N 3.28Å; A258-A260 PolarHBondContact O-N 2.91Å; A258-V261 WeakPolarHBondContact O-CB 3.35Å; A258-V261 PolarHBondContact O-N 2.96Å; A258-A262 PolarHBondContact O-N 3.44Å; A258-A262 VanDerWaalsContact O-N 3.17Å; A258-L314 HydrophobicContact CB-CD1 3.9Å
259	A	98.6	Very high	97.9	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-40.3	176.6	0	0	0	0	0	111.6	L255 A256 V261 A262 Q263 A311 L314	L255-A259 WeakPolarHBondContact O-CB 3.46Å; L255-A259 PolarHBondContact O-N 2.79Å; A256-A259 PolarHBondContact O-N 3.39Å; A259-V261 VanDerWaalsContact C-N 3.32Å; A259-V261 PolarHBondContact O-N 2.77Å; A259-A262 PolarHBondContact O-N 3.34Å; A259-A262 VanDerWaalsContact O-N 3.15Å; A259-Q263 WeakPolarHBondContact O-CB 3.18Å; A259-Q263 PolarHBondContact O-N 2.98Å; A259-A311 HydrophobicContact CB-CB 4.47Å; A259-L314 HydrophobicContact CB-CB 3.88Å; A259-L314 HydrophobicContact CB-CD1 4.24Å
260	A	98.5	Very high	97.8	Very high	43 Å²	43	40 Å²	40	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-59.3	-40.1	174.3	0	0	0	0	0	112.5	A256 A258 A262 Q263 D264	A256-A260 WeakPolarHBondContact O-CB 3.48Å; A256-A260 PolarHBondContact O-N 2.89Å; A258-A260 VanDerWaalsContact C-N 3.28Å; A258-A260 PolarHBondContact O-N 2.91Å; A260-A262 VanDerWaalsContact C-N 3.34Å; A260-A262 PolarHBondContact O-N 3.02Å; A260-Q263 PolarHBondContact O-N 2.91Å; A260-D264 VanDerWaalsContact O-CB 3.23Å; A260-D264 WeakPolarHBondContact O-CB 3.49Å; A260-D264 VanDerWaalsContact O-CG 3.28Å; A260-D264 PolarHBondContact O-N 3.34Å
261	V	98.4	Very high	97.6	Very high	1 Å²	1	37 Å²	37	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-40.2	175.7	179.7	0	0	0	0	111.5	R148 L152 I176 V177 A258 A259 G265	R148-V261 HydrophobicContact CG-CG1 4.31Å; L152-V261 HydrophobicContact CD1-CG2 4.25Å; L152-V261 HydrophobicContact CD2-CG2 4.12Å; I176-V261 HydrophobicContact CG2-CG1 4.38Å; V177-V261 HydrophobicContact CG1-CG1 3.94Å; A258-V261 WeakPolarHBondContact O-CB 3.35Å; A258-V261 PolarHBondContact O-N 2.96Å; A259-V261 VanDerWaalsContact C-N 3.32Å; A259-V261 PolarHBondContact O-N 2.77Å; V261-G265 CarbonylContact O-C 3.55Å; V261-G265 WeakPolarHBondContact O-CA 3.28Å; V261-G265 PolarHBondContact O-N 3.14Å; V261-G265 VanDerWaalsContact O-N 3.11Å
262	A	98.1	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.5	-40.1	178	0	0	0	0	0	112.3	I176 A258 A259 A260 R307 L310 A311	I176-A262 HydrophobicContact CD1-CB 3.74Å; I176-A262 HydrophobicContact CG1-CB 4.07Å; I176-A262 HydrophobicContact CG2-CB 4.06Å; A258-A262 PolarHBondContact O-N 3.44Å; A258-A262 VanDerWaalsContact O-N 3.17Å; A259-A262 PolarHBondContact O-N 3.34Å; A259-A262 VanDerWaalsContact O-N 3.15Å; A260-A262 VanDerWaalsContact C-N 3.34Å; A260-A262 PolarHBondContact O-N 3.02Å; A262-R307 HydrophobicContact CB-CB 4.16Å; A262-R307 WeakPolarHBondContact CB-O 3.21Å; A262-R307 CarbonylContact O-C 3.58Å; A262-R307 PolarHBondContact O-N 3.06Å; A262-L310 HydrophobicContact CB-CB 4.32Å; A262-A311 HydrophobicContact CB-CB 3.96Å
263	Q	98.1	Very high	97.4	Very high	105 Å²	105	33.3 Å²	33.3	49%	0.491	18%	0.184	S	C	.	.	H	α-helix	trans	-71.6	-52.8	-179.9	-175.4	61.9	36	0	0	112.4	A259 A260 G265 H306 A311	A259-Q263 WeakPolarHBondContact O-CB 3.18Å; A259-Q263 PolarHBondContact O-N 2.98Å; A260-Q263 PolarHBondContact O-N 2.91Å; Q263-G265 PolarHBondContact O-N 3Å; Q263-H306 PolarHBondContact O-ND1 2.05Å; Q263-A311 HydrophobicContact CB-CB 3.97Å
264	D	97.6	Very high	97.2	Very high	105 Å²	105	34.7 Å²	34.7	56%	0.561	19%	0.186	S	C	*	.	H	α-helix	trans	-69.5	-22.1	-178.7	-66.6	-17.1	0	0	0	111.9	A260 H306	A260-D264 VanDerWaalsContact O-CB 3.23Å; A260-D264 WeakPolarHBondContact O-CB 3.49Å; A260-D264 VanDerWaalsContact O-CG 3.28Å; A260-D264 PolarHBondContact O-N 3.34Å; D264-H306 PolarHBondContact O-CE1 2.94Å; D264-H306 PolarHBondContact O-ND1 3.48Å
265	G	96.2	Very high	97	Very high	9 Å²	9	34.8 Å²	34.8	9%	0.093	19%	0.187	C	C	.	.			trans	84.4	170.9	-176.6	0	0	0	0	0	113.1	V261 Q263 L305 H306	V261-G265 CarbonylContact O-C 3.55Å; V261-G265 WeakPolarHBondContact O-CA 3.28Å; V261-G265 PolarHBondContact O-N 3.14Å; V261-G265 VanDerWaalsContact O-N 3.11Å; Q263-G265 PolarHBondContact O-N 3Å; G265-L305 CarbonylContact C-O 3.52Å; G265-L305 WeakPolarHBondContact CA-O 3.33Å; G265-H306 WeakPolarHBondContact CA-ND1 3.38Å; G265-H306 PolarHBondContact N-ND1 2.73Å
266	F	96.8	Very high	96.8	Very high	9 Å²	9	34.7 Å²	34.7	4%	0.039	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.3	-178.8	65.3	-84.7	0	0	0	110.9	I176 V177 V268 L272 L305 R307	I176-F266 HydrophobicContact CG2-CD1 3.82Å; I176-F266 HydrophobicContact CG2-CE1 3.7Å; I176-F266 VanDerWaalsContact O-CE1 3.27Å; I176-F266 WeakPolarHBondContact O-CE1 3.44Å; I176-F266 WeakPolarHBondContact O-CZ 3.46Å; V177-F266 HydrophobicContact CB-CD2 3.88Å; V177-F266 HydrophobicContact CB-CE2 4.12Å; V177-F266 HydrophobicContact CB-CG 4.21Å; V177-F266 HydrophobicContact CG1-CB 3.94Å; V177-F266 HydrophobicContact CG1-CD1 4.17Å; V177-F266 HydrophobicContact CG1-CD2 3.96Å; V177-F266 HydrophobicContact CG1-CG 3.76Å; F266-V268 PolarHBondContact O-N 2.87Å; F266-L272 HydrophobicContact CE2-CD2 3.84Å; F266-L272 HydrophobicContact CZ-CD2 4.27Å; F266-L305 HydrophobicContact CE1-CB 4.36Å; F266-L305 HydrophobicContact CE1-CD2 3.57Å; F266-L305 HydrophobicContact CZ-CB 4.2Å; F266-L305 HydrophobicContact CZ-CD2 3.63Å; F266-L305 HydrophobicContact CZ-CG 4.39Å; F266-L305 PolarHBondContact N-O 2.82Å; F266-L305 PolarHBondContact O-N 2.92Å; F266-R307 HydrophobicContact CE1-CG 4.33Å
267	N	96.8	Very high	96.7	Very high	105 Å²	105	35.5 Å²	35.5	56%	0.561	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	125.2	173.2	-69.6	-8.6	0	0	0	109.2	T269 S303	N267-T269 PolarHBondContact O-N 2.87Å; N267-S303 CarbonylContact C-O 3.55Å; N267-S303 WeakPolarHBondContact CA-O 3.36Å
268	V	96.9	Very high	96.4	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-54.8	122.8	173.6	172.6	0	0	0	0	108.9	F266 L272 A273 P299 P301 G302 S303 L305	F266-V268 PolarHBondContact O-N 2.87Å; V268-L272 HydrophobicContact CG1-CB 4.27Å; V268-L272 HydrophobicContact CG1-CD2 4.1Å; V268-L272 HydrophobicContact CG1-CG 4.13Å; V268-L272 HydrophobicContact CG2-CD2 4.39Å; V268-A273 HydrophobicContact CG1-CB 4Å; V268-P299 HydrophobicContact CG1-CB 4.47Å; V268-P299 HydrophobicContact CG1-CG 4.25Å; V268-P299 HydrophobicContact CG2-CB 4.07Å; V268-P299 HydrophobicContact CG2-CG 4.08Å; V268-P301 CarbonylContact O-C 3.42Å; V268-P301 WeakPolarHBondContact O-CA 3.45Å; V268-G302 PolarHBondContact O-N 3.02Å; V268-S303 WeakPolarHBondContact CG2-O 3.4Å; V268-S303 PolarHBondContact N-O 3.31Å; V268-L305 HydrophobicContact CG2-CB 3.9Å; V268-L305 HydrophobicContact CG2-CD1 4.29Å
269	T	96.6	Very high	96.2	Very high	25 Å²	25	44.5 Å²	44.5	15%	0.153	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-78	169.6	-177.4	82.7	0	0	0	0	111.4	N267 L272 A273 D655	N267-T269 PolarHBondContact O-N 2.87Å; T269-L272 PolarHBondContact OG1-N 3.24Å; T269-A273 WeakPolarHBondContact O-CB 3.39Å; T269-A273 PolarHBondContact O-N 3.43Å; T269-D655 VanDerWaalsContact CB-CG 3.41Å; T269-D655 WeakPolarHBondContact CB-OD2 3.19Å; T269-D655 PolarHBondContact OG1-OD2 2.86Å
270	H	95.4	Very high	95.9	Very high	111 Å²	111	47.2 Å²	47.2	51%	0.514	25%	0.249	S	C	.	.	H	α-helix	trans	-64.2	-42.5	177.4	-75.9	-76.1	0	0	0	111.8	A273 R274 D655	H270-A273 PolarHBondContact O-N 2.88Å; H270-R274 WeakPolarHBondContact O-CB 3.38Å; H270-R274 PolarHBondContact O-N 3.33Å; H270-D655 IonicContact CD2-OD1 2.75Å; H270-D655 PolarHBondContact N-OD1 3.47Å; H270-D655 PolarHBondContact N-OD2 3.42Å
271	D	93.5	Very high	95.6	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.064	24%	0.236	C	C	.	.	H	α-helix	trans	-68.6	-40.2	179.9	-67.3	-28.4	0	0	0	111.5	R274 A275 P654 D655	D271-R274 PolarHBondContact O-N 3.19Å; D271-R274 IonicContact OD1-CZ 3.22Å; D271-R274 IonicContact OD1-NH1 3.13Å; D271-R274 PolarHBondContact OD1-NH1 2.89Å; D271-A275 WeakPolarHBondContact O-CB 3.26Å; D271-A275 PolarHBondContact O-N 2.74Å; D271-P654 VanDerWaalsContact OD1-CG 3.32Å; D271-P654 WeakPolarHBondContact OD1-CG 3.12Å; D271-D655 VanDerWaalsContact CB-OD2 3.31Å; D271-D655 WeakPolarHBondContact CB-OD2 3.48Å; D271-D655 PolarHBondContact N-OD2 2.85Å
272	L	96.1	Very high	95.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-44.6	173.5	177.8	58.8	0	0	0	111.8	P179 F266 V268 T269 R274 A275 L276 F496	P179-L272 HydrophobicContact CG-CD1 3.85Å; P179-L272 HydrophobicContact CG-CD2 4.44Å; F266-L272 HydrophobicContact CE2-CD2 3.84Å; F266-L272 HydrophobicContact CZ-CD2 4.27Å; V268-L272 HydrophobicContact CG1-CB 4.27Å; V268-L272 HydrophobicContact CG1-CD2 4.1Å; V268-L272 HydrophobicContact CG1-CG 4.13Å; V268-L272 HydrophobicContact CG2-CD2 4.39Å; T269-L272 PolarHBondContact OG1-N 3.24Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 3.3Å; L272-A275 PolarHBondContact O-N 3.21Å; L272-L276 HydrophobicContact CD1-CD1 3.98Å; L272-L276 HydrophobicContact CD1-CG 4.09Å; L272-L276 HydrophobicContact CG-CD1 4.02Å; L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 WeakPolarHBondContact O-CG 3.5Å; L272-L276 PolarHBondContact O-N 3.36Å; L272-F496 HydrophobicContact CD1-CE1 3.98Å; L272-F496 HydrophobicContact CD1-CZ 4.17Å
273	A	96.1	Very high	94.8	Very high	10 Å²	10	54.5 Å²	54.5	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-40.6	177.7	0	0	0	0	0	112	V268 T269 H270 L276 A277 P301	V268-A273 HydrophobicContact CG1-CB 4Å; T269-A273 WeakPolarHBondContact O-CB 3.39Å; T269-A273 PolarHBondContact O-N 3.43Å; H270-A273 PolarHBondContact O-N 2.88Å; A273-L276 PolarHBondContact O-N 2.95Å; A273-A277 WeakPolarHBondContact O-CB 3.49Å; A273-A277 PolarHBondContact O-N 2.9Å; A273-A277 VanDerWaalsContact O-N 3.07Å; A273-P301 HydrophobicContact CB-CG 3.64Å
274	R	94.5	Very high	94.6	Very high	112 Å²	112	50.9 Å²	50.9	42%	0.423	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-48.7	174.8	-172.4	-171.5	-63.8	123	1.1	110.9	H270 D271 L272 L276 A277 E278	H270-R274 WeakPolarHBondContact O-CB 3.38Å; H270-R274 PolarHBondContact O-N 3.33Å; D271-R274 PolarHBondContact O-N 3.19Å; D271-R274 IonicContact OD1-CZ 3.22Å; D271-R274 IonicContact OD1-NH1 3.13Å; D271-R274 PolarHBondContact OD1-NH1 2.89Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 3.3Å; R274-L276 VanDerWaalsContact C-N 3.31Å; R274-L276 PolarHBondContact O-N 3.23Å; R274-A277 PolarHBondContact O-N 2.85Å; R274-E278 HydrophobicContact CG-CG 4.44Å; R274-E278 VanDerWaalsContact CG-OE2 3.26Å; R274-E278 WeakPolarHBondContact CG-OE2 3.4Å; R274-E278 WeakPolarHBondContact O-CB 3.4Å; R274-E278 PolarHBondContact O-N 2.72Å
275	A	94.9	Very high	94.5	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.017	25%	0.25	C	S	.	.	H	α-helix	trans	-58.9	-41.8	178.2	0	0	0	0	0	111.9	H180 D271 L272 A277 E278 Q279 F496	H180-A275 HydrophobicContact CB-CB 3.72Å; D271-A275 WeakPolarHBondContact O-CB 3.26Å; D271-A275 PolarHBondContact O-N 2.74Å; L272-A275 PolarHBondContact O-N 3.21Å; A275-A277 VanDerWaalsContact C-N 3.27Å; A275-A277 PolarHBondContact O-N 3.37Å; A275-E278 PolarHBondContact O-N 2.94Å; A275-Q279 CarbonylContact O-C 3.57Å; A275-Q279 WeakPolarHBondContact O-CA 3.44Å; A275-Q279 WeakPolarHBondContact O-CB 3.48Å; A275-Q279 PolarHBondContact O-N 2.9Å; A275-F496 HydrophobicContact CB-CE2 3.88Å; A275-F496 HydrophobicContact CB-CZ 3.84Å
276	L	95.6	Very high	94.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.7	-22.7	175.9	-71.4	172.6	0	0	0	113.8	L272 A273 R274 L280 F288 F292 P298 P299 F496	L272-L276 HydrophobicContact CD1-CD1 3.98Å; L272-L276 HydrophobicContact CD1-CG 4.09Å; L272-L276 HydrophobicContact CG-CD1 4.02Å; L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 WeakPolarHBondContact O-CG 3.5Å; L272-L276 PolarHBondContact O-N 3.36Å; A273-L276 PolarHBondContact O-N 2.95Å; R274-L276 VanDerWaalsContact C-N 3.31Å; R274-L276 PolarHBondContact O-N 3.23Å; L276-L280 HydrophobicContact CD2-CD2 4.09Å; L276-L280 WeakPolarHBondContact O-CD1 3.44Å; L276-L280 WeakPolarHBondContact O-CD2 3.28Å; L276-L280 VanDerWaalsContact O-CG 3.26Å; L276-L280 WeakPolarHBondContact O-CG 3.36Å; L276-F288 HydrophobicContact CD2-CZ 4.37Å; L276-F292 HydrophobicContact CD1-CB 4.41Å; L276-F292 HydrophobicContact CD2-CB 3.65Å; L276-F292 HydrophobicContact CD2-CG 4.18Å; L276-P298 HydrophobicContact CB-CB 3.81Å; L276-P299 HydrophobicContact CD1-CG 3.62Å; L276-F496 HydrophobicContact CD2-CE1 3.67Å; L276-F496 HydrophobicContact CD2-CE2 4.14Å; L276-F496 HydrophobicContact CD2-CZ 3.35Å; L276-F496 HydrophobicContact CG-CE1 4.24Å; L276-F496 HydrophobicContact CG-CZ 3.7Å
277	A	94.6	Very high	94.4	Very high	64 Å²	64	57.8 Å²	57.8	53%	0.529	30%	0.296	S	S	.	.	H	α-helix	trans	-86.5	-35.3	177	0	0	0	0	0	112.9	A273 R274 A275	A273-A277 WeakPolarHBondContact O-CB 3.49Å; A273-A277 PolarHBondContact O-N 2.9Å; A273-A277 VanDerWaalsContact O-N 3.07Å; R274-A277 PolarHBondContact O-N 2.85Å; A275-A277 VanDerWaalsContact C-N 3.27Å; A275-A277 PolarHBondContact O-N 3.37Å
278	E	93.6	Very high	94.3	Very high	138 Å²	138	52.8 Å²	52.8	65%	0.645	27%	0.27	S	S	*	.	H	α-helix	trans	-115.4	-20.7	-165.4	-65.3	171.5	-172.3	0	0	113.9	R274 A275	R274-E278 HydrophobicContact CG-CG 4.44Å; R274-E278 VanDerWaalsContact CG-OE2 3.26Å; R274-E278 WeakPolarHBondContact CG-OE2 3.4Å; R274-E278 WeakPolarHBondContact O-CB 3.4Å; R274-E278 PolarHBondContact O-N 2.72Å; A275-E278 PolarHBondContact O-N 2.94Å
279	Q	92.8	Very high	94.2	Very high	77 Å²	77	57.7 Å²	57.7	36%	0.36	29%	0.288	S	S	.	.			trans	-131.6	35.3	-164.3	-56.2	172.6	22	0	0	112.3	A275 P495	A275-Q279 CarbonylContact O-C 3.57Å; A275-Q279 WeakPolarHBondContact O-CA 3.44Å; A275-Q279 WeakPolarHBondContact O-CB 3.48Å; A275-Q279 PolarHBondContact O-N 2.9Å; Q279-P495 HydrophobicContact CB-CB 3.87Å; Q279-P495 HydrophobicContact CB-CG 4.1Å
280	L	92.8	Very high	94.1	Very high	61 Å²	61	63 Å²	63	32%	0.319	31%	0.311	S	S	.	.			trans	-67.9	135.6	178	-68.9	174.6	0	0	0	111.4	L276 M284 F288 L293	L276-L280 HydrophobicContact CD2-CD2 4.09Å; L276-L280 WeakPolarHBondContact O-CD1 3.44Å; L276-L280 WeakPolarHBondContact O-CD2 3.28Å; L276-L280 VanDerWaalsContact O-CG 3.26Å; L276-L280 WeakPolarHBondContact O-CG 3.36Å; L280-M284 HydrophobicContact CD1-CE 4.48Å; L280-F288 HydrophobicContact CD2-CE1 3.84Å; L280-F288 HydrophobicContact CD2-CZ 4.28Å; L280-L293 HydrophobicContact CD1-CD1 3.99Å; L280-L293 HydrophobicContact CD1-CD2 4.36Å; L280-L293 HydrophobicContact CD2-CD1 4.24Å; L280-L293 HydrophobicContact CD2-CD2 4.28Å
281	P	91.7	Very high	94	Very high	12 Å²	12	59.4 Å²	59.4	8%	0.078	30%	0.297	C	S	.	.			trans	-62.6	134.6	175	-21.1	32.3	0	0	0	111.1	N283 M284 F288 F496	P281-N283 VanDerWaalsContact C-N 3.33Å; P281-N283 PolarHBondContact O-N 3.01Å; P281-M284 HydrophobicContact CB-CB 4.24Å; P281-M284 PolarHBondContact O-N 2.9Å; P281-F288 HydrophobicContact CG-CZ 4.46Å; P281-F496 HydrophobicContact CG-CB 3.82Å; P281-F496 HydrophobicContact CG-CD2 4.44Å
282	P	89.1	Confident	94	Very high	118 Å²	118	58.9 Å²	58.9	77%	0.766	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-38	-175.7	23.8	-33.2	0	0	0	112.4
283	N	90.8	Very high	93.9	Very high	67 Å²	67	59.6 Å²	59.6	36%	0.358	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	38.4	-178.1	-58.8	-45	0	0	0	112.4	E223 P226 P281	E223-N283 PolarHBondContact O-ND2 3.47Å; P226-N283 HydrophobicContact CB-CB 4.29Å; P226-N283 HydrophobicContact CG-CB 3.73Å; P281-N283 VanDerWaalsContact C-N 3.33Å; P281-N283 PolarHBondContact O-N 3.01Å
284	M	94.4	Very high	93.4	Very high	30 Å²	30	62.5 Å²	62.5	15%	0.148	32%	0.316	C	S	.	.			trans	-61.1	142.8	178.5	61	-179.7	160.7	0	0	112.9	L280 P281 F288 R289 L293	L280-M284 HydrophobicContact CD1-CE 4.48Å; P281-M284 HydrophobicContact CB-CB 4.24Å; P281-M284 PolarHBondContact O-N 2.9Å; M284-F288 HydrophobicContact CB-CB 4.04Å; M284-F288 HydrophobicContact CB-CD1 3.75Å; M284-F288 HydrophobicContact CB-CE1 4.45Å; M284-F288 HydrophobicContact CB-CG 3.89Å; M284-F288 HydrophobicContact CG-CD1 4.1Å; M284-F288 HydrophobicContact SD-CD1 3.39Å; M284-F288 WeakPolarHBondContact SD-CD1 3.22Å; M284-F288 HydrophobicContact SD-CE1 3.7Å; M284-F288 HydrophobicContact SD-CG 4.42Å; M284-R289 HydrophobicContact CE-CG 4.04Å; M284-R289 HydrophobicContact CG-CG 4.2Å; M284-R289 PolarHBondContact O-NH1 2.94Å; M284-R289 PolarHBondContact O-NH2 3.47Å; M284-R289 HydrophobicContact SD-CG 3.83Å; M284-L293 HydrophobicContact CE-CD1 4.01Å; M284-L293 HydrophobicContact SD-CD1 4.12Å
285	S	95.7	Very high	93	Very high	14 Å²	14	63.3 Å²	63.3	10%	0.098	34%	0.338	C	S	.	.			trans	-64.3	162.9	175.6	60	0	0	0	0	112.5	R287 F288 R289 G499 I501	S285-R287 VanDerWaalsContact C-N 3.32Å; S285-F288 WeakPolarHBondContact O-CB 3.35Å; S285-F288 PolarHBondContact O-N 3.21Å; S285-F288 WeakPolarHBondContact OG-CB 3.34Å; S285-F288 PolarHBondContact OG-N 2.84Å; S285-R289 PolarHBondContact O-N 2.77Å; S285-R289 PolarHBondContact O-NH1 3.21Å; S285-G499 PolarHBondContact N-O 3.29Å; S285-G499 PolarHBondContact OG-O 3.35Å; S285-I501 PolarHBondContact OG-N 3.42Å
286	E	94.5	Very high	92.6	Very high	152 Å²	152	66.3 Å²	66.3	71%	0.71	37%	0.37	S	S	*	.	H	α-helix	trans	-61.8	-42	172.5	-69.7	-172.3	158.7	0	0	111.4	F288 R289 E290	E286-F288 VanDerWaalsContact C-N 3.26Å; E286-F288 PolarHBondContact O-N 2.91Å; E286-R289 WeakPolarHBondContact O-CA 3.49Å; E286-R289 WeakPolarHBondContact O-CB 3.45Å; E286-R289 PolarHBondContact O-N 2.77Å; E286-E290 PolarHBondContact O-N 3.41Å
287	R	95.3	Very high	92.3	Very high	102 Å²	102	75.6 Å²	75.6	39%	0.385	41%	0.405	S	S	.	.	H	α-helix	trans	-58.9	-36.4	176.3	-66	-177.4	-172.4	-74	-2.6	112.7	S285 E290 T291 I501	S285-R287 VanDerWaalsContact C-N 3.32Å; R287-E290 PolarHBondContact O-N 3.26Å; R287-T291 VanDerWaalsContact O-CB 3.29Å; R287-T291 WeakPolarHBondContact O-CB 3.38Å; R287-T291 PolarHBondContact O-N 3.47Å; R287-T291 PolarHBondContact O-OG1 2.94Å; R287-I501 HydrophobicContact CB-CB 4Å; R287-I501 HydrophobicContact CB-CG2 4.15Å; R287-I501 WeakPolarHBondContact CD-O 3.32Å
288	F	96.3	Very high	92.2	Very high	0 Å²	0	75 Å²	75	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-59	-47.7	172.3	-174.9	-78.6	0	0	0	111.8	L276 L280 P281 M284 S285 E286 E290 T291 F292 F496 I501 L507	L276-F288 HydrophobicContact CD2-CZ 4.37Å; L280-F288 HydrophobicContact CD2-CE1 3.84Å; L280-F288 HydrophobicContact CD2-CZ 4.28Å; P281-F288 HydrophobicContact CG-CZ 4.46Å; M284-F288 HydrophobicContact CB-CB 4.04Å; M284-F288 HydrophobicContact CB-CD1 3.75Å; M284-F288 HydrophobicContact CB-CE1 4.45Å; M284-F288 HydrophobicContact CB-CG 3.89Å; M284-F288 HydrophobicContact CG-CD1 4.1Å; M284-F288 HydrophobicContact SD-CD1 3.39Å; M284-F288 WeakPolarHBondContact SD-CD1 3.22Å; M284-F288 HydrophobicContact SD-CE1 3.7Å; M284-F288 HydrophobicContact SD-CG 4.42Å; S285-F288 WeakPolarHBondContact O-CB 3.35Å; S285-F288 PolarHBondContact O-N 3.21Å; S285-F288 WeakPolarHBondContact OG-CB 3.34Å; S285-F288 PolarHBondContact OG-N 2.84Å; E286-F288 VanDerWaalsContact C-N 3.26Å; E286-F288 PolarHBondContact O-N 2.91Å; F288-E290 PolarHBondContact O-N 2.89Å; F288-T291 PolarHBondContact O-N 3.29Å; F288-F292 HydrophobicContact CD1-CD2 4.41Å; F288-F292 AromaticContact CD2-CD2 3.77Å; F288-F292 HydrophobicContact CD2-CD2 3.77Å; F288-F292 HydrophobicContact CD2-CE2 4.14Å; F288-F292 HydrophobicContact CE1-CB 4.26Å; F288-F292 HydrophobicContact CE1-CD2 4.23Å; F288-F292 AromaticContact CE2-CD2 3.53Å; F288-F292 HydrophobicContact CE2-CD2 3.53Å; F288-F292 AromaticContact CE2-CE2 3.91Å; F288-F292 HydrophobicContact CE2-CE2 3.91Å; F288-F292 HydrophobicContact CG-CD2 4.2Å; F288-F292 HydrophobicContact CZ-CB 4.39Å; F288-F292 AromaticContact CZ-CD2 3.79Å; F288-F292 HydrophobicContact CZ-CD2 3.79Å; F288-F292 HydrophobicContact CZ-CG 4.43Å; F288-F292 PolarHBondContact O-N 2.83Å; F288-F496 HydrophobicContact CE2-CB 3.67Å; F288-F496 AromaticContact CE2-CD1 3.77Å; F288-F496 HydrophobicContact CE2-CD1 3.77Å; F288-F496 AromaticContact CE2-CG 3.77Å; F288-F496 HydrophobicContact CE2-CG 3.77Å; F288-F496 HydrophobicContact CZ-CB 4.07Å; F288-F496 AromaticContact CZ-CD1 3.83Å; F288-F496 HydrophobicContact CZ-CD1 3.83Å; F288-F496 HydrophobicContact CZ-CD2 4.17Å; F288-F496 HydrophobicContact CZ-CE1 4.29Å; F288-F496 AromaticContact CZ-CG 3.76Å; F288-F496 HydrophobicContact CZ-CG 3.76Å; F288-I501 HydrophobicContact CB-CD1 4Å; F288-I501 HydrophobicContact CB-CG1 4.19Å; F288-I501 HydrophobicContact CD2-CD1 3.86Å; F288-I501 HydrophobicContact CD2-CG1 4.15Å; F288-I501 HydrophobicContact CG-CD1 4.3Å; F288-L507 HydrophobicContact CD2-CD1 4.01Å; F288-L507 HydrophobicContact CE2-CD1 4.27Å
289	R	95.1	Very high	92.2	Very high	105 Å²	105	69.5 Å²	69.5	40%	0.396	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-43.1	178.7	-63	-177.4	-178.6	80.8	4.6	111.3	M284 S285 E286 T291 L293	M284-R289 HydrophobicContact CE-CG 4.04Å; M284-R289 HydrophobicContact CG-CG 4.2Å; M284-R289 PolarHBondContact O-NH1 2.94Å; M284-R289 PolarHBondContact O-NH2 3.47Å; M284-R289 HydrophobicContact SD-CG 3.83Å; S285-R289 PolarHBondContact O-N 2.77Å; S285-R289 PolarHBondContact O-NH1 3.21Å; E286-R289 WeakPolarHBondContact O-CA 3.49Å; E286-R289 WeakPolarHBondContact O-CB 3.45Å; E286-R289 PolarHBondContact O-N 2.77Å; R289-T291 VanDerWaalsContact C-N 3.33Å; R289-T291 PolarHBondContact O-N 3.38Å; R289-L293 CarbonylContact O-C 3.49Å; R289-L293 VanDerWaalsContact O-CA 3.25Å; R289-L293 WeakPolarHBondContact O-CA 3.45Å; R289-L293 WeakPolarHBondContact O-CB 3.21Å; R289-L293 PolarHBondContact O-N 2.8Å
290	E	93.3	Very high	92.3	Very high	135 Å²	135	72.2 Å²	72.2	63%	0.631	39%	0.388	S	S	*	.	H	α-helix	trans	-63	-40.4	178.1	-68.5	175.8	167.6	0	0	112.3	E286 R287 F288	E286-E290 PolarHBondContact O-N 3.41Å; R287-E290 PolarHBondContact O-N 3.26Å; F288-E290 PolarHBondContact O-N 2.89Å
291	T	93.3	Very high	92.4	Very high	37 Å²	37	72 Å²	72	23%	0.227	39%	0.391	C	S	.	.	H	α-helix	trans	-74.4	-46.8	-176.7	-56.1	0	0	0	0	112.2	R287 F288 R289	R287-T291 VanDerWaalsContact O-CB 3.29Å; R287-T291 WeakPolarHBondContact O-CB 3.38Å; R287-T291 PolarHBondContact O-N 3.47Å; R287-T291 PolarHBondContact O-OG1 2.94Å; F288-T291 PolarHBondContact O-N 3.29Å; R289-T291 VanDerWaalsContact C-N 3.33Å; R289-T291 PolarHBondContact O-N 3.38Å
292	F	94.6	Very high	92.6	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-111.3	-12.1	-168	-65.8	-60.3	0	0	0	114.9	P179 L276 F288 P294 P299 L305 I501	P179-F292 HydrophobicContact CB-CE1 4.31Å; P179-F292 HydrophobicContact CB-CZ 3.84Å; P179-F292 HydrophobicContact CG-CE1 3.65Å; P179-F292 HydrophobicContact CG-CZ 3.7Å; L276-F292 HydrophobicContact CD1-CB 4.41Å; L276-F292 HydrophobicContact CD2-CB 3.65Å; L276-F292 HydrophobicContact CD2-CG 4.18Å; F288-F292 HydrophobicContact CD1-CD2 4.41Å; F288-F292 AromaticContact CD2-CD2 3.77Å; F288-F292 HydrophobicContact CD2-CD2 3.77Å; F288-F292 HydrophobicContact CD2-CE2 4.14Å; F288-F292 HydrophobicContact CE1-CB 4.26Å; F288-F292 HydrophobicContact CE1-CD2 4.23Å; F288-F292 AromaticContact CE2-CD2 3.53Å; F288-F292 HydrophobicContact CE2-CD2 3.53Å; F288-F292 AromaticContact CE2-CE2 3.91Å; F288-F292 HydrophobicContact CE2-CE2 3.91Å; F288-F292 HydrophobicContact CG-CD2 4.2Å; F288-F292 HydrophobicContact CZ-CB 4.39Å; F288-F292 AromaticContact CZ-CD2 3.79Å; F288-F292 HydrophobicContact CZ-CD2 3.79Å; F288-F292 HydrophobicContact CZ-CG 4.43Å; F288-F292 PolarHBondContact O-N 2.83Å; F292-P294 WeakPolarHBondContact O-CD 3.3Å; F292-P299 WeakPolarHBondContact O-CD 3.46Å; F292-L305 HydrophobicContact CD1-CD1 4.23Å; F292-I501 HydrophobicContact CD2-CD1 4.04Å; F292-I501 HydrophobicContact CE2-CD1 3.62Å
293	L	92.9	Very high	92.9	Very high	16 Å²	16	70 Å²	70	8%	0.084	39%	0.387	C	S	.	.	S	Bend	trans	-126.4	57.6	178.8	-56.7	174.4	0	0	0	110.6	L280 M284 R289 S295 G296 R297 P298	L280-L293 HydrophobicContact CD1-CD1 3.99Å; L280-L293 HydrophobicContact CD1-CD2 4.36Å; L280-L293 HydrophobicContact CD2-CD1 4.24Å; L280-L293 HydrophobicContact CD2-CD2 4.28Å; M284-L293 HydrophobicContact CE-CD1 4.01Å; M284-L293 HydrophobicContact SD-CD1 4.12Å; R289-L293 CarbonylContact O-C 3.49Å; R289-L293 VanDerWaalsContact O-CA 3.25Å; R289-L293 WeakPolarHBondContact O-CA 3.45Å; R289-L293 WeakPolarHBondContact O-CB 3.21Å; R289-L293 PolarHBondContact O-N 2.8Å; L293-S295 PolarHBondContact O-N 2.86Å; L293-G296 WeakPolarHBondContact O-CA 3.34Å; L293-G296 PolarHBondContact O-N 2.95Å; L293-R297 WeakPolarHBondContact CA-O 3.15Å; L293-P298 HydrophobicContact CD2-CB 3.98Å
294	P	85.8	Confident	93.1	Very high	70 Å²	70	71.7 Å²	71.7	46%	0.455	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-57.7	131.1	179.1	26.5	-34.5	0	0	0	109.8	F292 G296	F292-P294 WeakPolarHBondContact O-CD 3.3Å; P294-G296 PolarHBondContact O-N 3.44Å
295	S	85.8	Confident	93.2	Very high	129 Å²	129	71.1 Å²	71.1	90%	0.902	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	62	21	-172.3	-45.9	0	0	0	0	115.1	L293	L293-S295 PolarHBondContact O-N 2.86Å
296	G	87.3	Confident	93.1	Very high	65 Å²	65	74.8 Å²	74.8	67%	0.67	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	75.3	18.5	176.8	0	0	0	0	0	114.8	L293 P294	L293-G296 WeakPolarHBondContact O-CA 3.34Å; L293-G296 PolarHBondContact O-N 2.95Å; P294-G296 PolarHBondContact O-N 3.44Å
297	R	89.8	Confident	93.2	Very high	195 Å²	195	67.8 Å²	67.8	74%	0.736	38%	0.375	S	S	*	.	S	Bend	trans	-132.7	145.8	179.6	-64.6	-175.9	-177.4	-179.6	0.4	111.4	L293	L293-R297 WeakPolarHBondContact CA-O 3.15Å
298	P	91.8	Very high	93.3	Very high	53 Å²	53	66.1 Å²	66.1	34%	0.344	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-66.3	140.5	174.9	28.2	-34.2	0	0	0	110.8	L276 L293	L276-P298 HydrophobicContact CB-CB 3.81Å; L293-P298 HydrophobicContact CD2-CB 3.98Å
299	P	93.6	Very high	93.3	Very high	22 Å²	22	68 Å²	68	14%	0.143	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-63.7	148.5	174.5	25.7	-33.4	0	0	0	111.3	V268 L276 F292 S303	V268-P299 HydrophobicContact CG1-CB 4.47Å; V268-P299 HydrophobicContact CG1-CG 4.25Å; V268-P299 HydrophobicContact CG2-CB 4.07Å; V268-P299 HydrophobicContact CG2-CG 4.08Å; L276-P299 HydrophobicContact CD1-CG 3.62Å; F292-P299 WeakPolarHBondContact O-CD 3.46Å; P299-S303 VanDerWaalsContact CB-OG 3.3Å; P299-S303 WeakPolarHBondContact CB-OG 3.38Å
300	L	94.5	Very high	93.4	Very high	134 Å²	134	63.5 Å²	63.5	70%	0.702	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-80.7	153.5	175.5	-63.8	176.3	0	0	0	111	G302 S303	L300-G302 PolarHBondContact O-N 2.91Å; L300-S303 VanDerWaalsContact O-CB 3.3Å; L300-S303 WeakPolarHBondContact O-CB 3.46Å; L300-S303 PolarHBondContact O-N 3.45Å; L300-S303 VanDerWaalsContact O-N 3.08Å; L300-S303 PolarHBondContact O-OG 2.84Å
301	P	95.9	Very high	93.7	Very high	57 Å²	57	57.2 Å²	57.2	37%	0.37	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	136.3	169.3	-23.3	31.5	0	0	0	111.5	V268 A273 S303	V268-P301 CarbonylContact O-C 3.42Å; V268-P301 WeakPolarHBondContact O-CA 3.45Å; A273-P301 HydrophobicContact CB-CG 3.64Å; P301-S303 VanDerWaalsContact C-N 3.29Å; P301-S303 PolarHBondContact O-N 2.71Å
302	G	95.3	Very high	93.9	Very high	48 Å²	48	62 Å²	62	50%	0.495	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-6.8	-178.2	0	0	0	0	0	115.4	V268 L300	V268-G302 PolarHBondContact O-N 3.02Å; L300-G302 PolarHBondContact O-N 2.91Å
303	S	95.2	Very high	94.1	Very high	39 Å²	39	62.2 Å²	62.2	27%	0.273	36%	0.364	S	S	.	.			trans	-68.3	147.1	171.7	62.4	0	0	0	0	111.3	N267 V268 P299 L300 P301	N267-S303 CarbonylContact C-O 3.55Å; N267-S303 WeakPolarHBondContact CA-O 3.36Å; V268-S303 WeakPolarHBondContact CG2-O 3.4Å; V268-S303 PolarHBondContact N-O 3.31Å; P299-S303 VanDerWaalsContact CB-OG 3.3Å; P299-S303 WeakPolarHBondContact CB-OG 3.38Å; L300-S303 VanDerWaalsContact O-CB 3.3Å; L300-S303 WeakPolarHBondContact O-CB 3.46Å; L300-S303 PolarHBondContact O-N 3.45Å; L300-S303 VanDerWaalsContact O-N 3.08Å; L300-S303 PolarHBondContact O-OG 2.84Å; P301-S303 VanDerWaalsContact C-N 3.29Å; P301-S303 PolarHBondContact O-N 2.71Å
304	L	95.5	Very high	94.4	Very high	102 Å²	102	61.6 Å²	61.6	53%	0.534	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.2	-178.7	-173.5	64.4	0	0	0	110.4	H306	L304-H306 VanDerWaalsContact CD2-NE2 3.31Å; L304-H306 WeakPolarHBondContact CD2-NE2 3.26Å
305	L	95.1	Very high	94.9	Very high	18 Å²	18	62.5 Å²	62.5	9%	0.094	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.5	175.5	-169.3	147.5	0	0	0	109.9	G265 F266 V268 F292 R307	G265-L305 CarbonylContact C-O 3.52Å; G265-L305 WeakPolarHBondContact CA-O 3.33Å; F266-L305 HydrophobicContact CE1-CB 4.36Å; F266-L305 HydrophobicContact CE1-CD2 3.57Å; F266-L305 HydrophobicContact CZ-CB 4.2Å; F266-L305 HydrophobicContact CZ-CD2 3.63Å; F266-L305 HydrophobicContact CZ-CG 4.39Å; F266-L305 PolarHBondContact N-O 2.82Å; F266-L305 PolarHBondContact O-N 2.92Å; V268-L305 HydrophobicContact CG2-CB 3.9Å; V268-L305 HydrophobicContact CG2-CD1 4.29Å; F292-L305 HydrophobicContact CD1-CD1 4.23Å; L305-R307 HydrophobicContact CD2-CG 3.7Å
306	H	95.5	Very high	95.5	Very high	92 Å²	92	59 Å²	59	43%	0.426	33%	0.334	S	S	.	.			trans	-115.6	145.9	178	-62.9	-92.1	0	0	0	110.7	Q263 D264 G265 L304 P308	Q263-H306 PolarHBondContact O-ND1 2.05Å; D264-H306 PolarHBondContact O-CE1 2.94Å; D264-H306 PolarHBondContact O-ND1 3.48Å; G265-H306 WeakPolarHBondContact CA-ND1 3.38Å; G265-H306 PolarHBondContact N-ND1 2.73Å; L304-H306 VanDerWaalsContact CD2-NE2 3.31Å; L304-H306 WeakPolarHBondContact CD2-NE2 3.26Å; H306-P308 VanDerWaalsContact C-CD 3.49Å
307	R	96.4	Very high	96	Very high	4 Å²	4	56 Å²	56	2%	0.015	30%	0.303	C	S	.	.			trans	-130.8	60	175.4	-66.3	-58.7	-53.6	-84.4	6.2	111.1	A262 F266 L305 D309 L310 A311 G505	A262-R307 HydrophobicContact CB-CB 4.16Å; A262-R307 WeakPolarHBondContact CB-O 3.21Å; A262-R307 CarbonylContact O-C 3.58Å; A262-R307 PolarHBondContact O-N 3.06Å; F266-R307 HydrophobicContact CE1-CG 4.33Å; L305-R307 HydrophobicContact CD2-CG 3.7Å; R307-D309 WeakPolarHBondContact CA-OD1 3.45Å; R307-D309 WeakPolarHBondContact CB-OD1 3.4Å; R307-D309 IonicContact CZ-OD1 2.71Å; R307-D309 IonicContact CZ-OD2 2.81Å; R307-D309 IonicContact NE-OD1 3.63Å; R307-D309 PolarHBondContact NE-OD1 3.16Å; R307-D309 IonicContact NE-OD2 2.74Å; R307-D309 PolarHBondContact NE-OD2 3.22Å; R307-D309 IonicContact NH2-OD1 3.7Å; R307-D309 IonicContact NH2-OD2 3.42Å; R307-D309 PolarHBondContact NH2-OD2 3.36Å; R307-D309 PolarHBondContact O-N 3.35Å; R307-L310 HydrophobicContact CB-CB 4.13Å; R307-L310 HydrophobicContact CB-CD1 4.22Å; R307-L310 HydrophobicContact CB-CG 4.35Å; R307-L310 HydrophobicContact CG-CD1 4.38Å; R307-L310 VanDerWaalsContact CZ-CD1 3.48Å; R307-L310 PolarHBondContact O-N 2.74Å; R307-A311 PolarHBondContact O-N 3.32Å; R307-A311 VanDerWaalsContact O-N 3.08Å; R307-G505 PolarHBondContact NH2-O 2.87Å
308	P	97.2	Very high	96.4	Very high	67 Å²	67	47.2 Å²	47.2	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-25.8	-179.7	28.9	-35.6	0	0	0	112.3	H306 A311 E312	H306-P308 VanDerWaalsContact C-CD 3.49Å; P308-A311 WeakPolarHBondContact O-CB 3.38Å; P308-A311 PolarHBondContact O-N 3.37Å; P308-E312 PolarHBondContact O-N 3.49Å; P308-E312 VanDerWaalsContact O-N 3.07Å
309	D	96.1	Very high	96.6	Very high	40 Å²	40	50.1 Å²	50.1	21%	0.214	29%	0.29	C	S	.	.	H	α-helix	trans	-56.7	-50.8	169.6	57.6	-23.6	0	0	0	111.8	R307 A311 E312 V313 S504 G505	R307-D309 WeakPolarHBondContact CA-OD1 3.45Å; R307-D309 WeakPolarHBondContact CB-OD1 3.4Å; R307-D309 IonicContact CZ-OD1 2.71Å; R307-D309 IonicContact CZ-OD2 2.81Å; R307-D309 IonicContact NE-OD1 3.63Å; R307-D309 PolarHBondContact NE-OD1 3.16Å; R307-D309 IonicContact NE-OD2 2.74Å; R307-D309 PolarHBondContact NE-OD2 3.22Å; R307-D309 IonicContact NH2-OD1 3.7Å; R307-D309 IonicContact NH2-OD2 3.42Å; R307-D309 PolarHBondContact NH2-OD2 3.36Å; R307-D309 PolarHBondContact O-N 3.35Å; D309-A311 PolarHBondContact O-N 2.86Å; D309-E312 PolarHBondContact O-N 3.22Å; D309-V313 WeakPolarHBondContact O-CG2 3.39Å; D309-V313 PolarHBondContact O-N 2.92Å; D309-V313 VanDerWaalsContact O-N 3.16Å; D309-S504 CarbonylContact C-O 3.56Å; D309-G505 WeakPolarHBondContact OD2-CA 3.35Å
310	L	97.4	Very high	96.7	Very high	11 Å²	11	52.6 Å²	52.6	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-69.9	-30.8	176.1	-70.9	-179.2	0	0	0	113	I176 L184 A262 R307 E312 V313 L314 G505	I176-L310 HydrophobicContact CG1-CD1 4.25Å; L184-L310 HydrophobicContact CD1-CD2 4.25Å; A262-L310 HydrophobicContact CB-CB 4.32Å; R307-L310 HydrophobicContact CB-CB 4.13Å; R307-L310 HydrophobicContact CB-CD1 4.22Å; R307-L310 HydrophobicContact CB-CG 4.35Å; R307-L310 HydrophobicContact CG-CD1 4.38Å; R307-L310 VanDerWaalsContact CZ-CD1 3.48Å; R307-L310 PolarHBondContact O-N 2.74Å; L310-E312 VanDerWaalsContact C-N 3.32Å; L310-V313 PolarHBondContact O-N 2.79Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.39Å; L310-L314 PolarHBondContact O-N 2.74Å; L310-G505 WeakPolarHBondContact CD2-O 3.26Å
311	A	98.4	Very high	96.8	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-45.9	174.1	0	0	0	0	0	110.7	A259 A262 Q263 R307 P308 D309 V313 L314 D315	A259-A311 HydrophobicContact CB-CB 4.47Å; A262-A311 HydrophobicContact CB-CB 3.96Å; Q263-A311 HydrophobicContact CB-CB 3.97Å; R307-A311 PolarHBondContact O-N 3.32Å; R307-A311 VanDerWaalsContact O-N 3.08Å; P308-A311 WeakPolarHBondContact O-CB 3.38Å; P308-A311 PolarHBondContact O-N 3.37Å; D309-A311 PolarHBondContact O-N 2.86Å; A311-V313 PolarHBondContact O-N 3.46Å; A311-L314 PolarHBondContact O-N 3.11Å; A311-D315 PolarHBondContact O-N 2.8Å
312	E	98.2	Very high	96.8	Very high	137 Å²	137	44.8 Å²	44.8	64%	0.64	27%	0.268	S	S	*	.	H	α-helix	trans	-62.5	-42.6	176.6	-175	173	-174.6	0	0	112.1	P308 D309 L310 L314 D315 V316	P308-E312 PolarHBondContact O-N 3.49Å; P308-E312 VanDerWaalsContact O-N 3.07Å; D309-E312 PolarHBondContact O-N 3.22Å; L310-E312 VanDerWaalsContact C-N 3.32Å; E312-L314 VanDerWaalsContact C-N 3.32Å; E312-L314 PolarHBondContact O-N 2.92Å; E312-D315 PolarHBondContact O-N 3.34Å; E312-V316 WeakPolarHBondContact O-CG2 3.27Å; E312-V316 PolarHBondContact O-N 3.06Å
313	V	98.3	Very high	96.8	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-58.1	-45.4	174.1	172.3	0	0	0	0	111	L184 D309 L310 A311 D315 V316 L317 L331 S504 I506	L184-V313 HydrophobicContact CD1-CG1 3.68Å; D309-V313 WeakPolarHBondContact O-CG2 3.39Å; D309-V313 PolarHBondContact O-N 2.92Å; D309-V313 VanDerWaalsContact O-N 3.16Å; L310-V313 PolarHBondContact O-N 2.79Å; A311-V313 PolarHBondContact O-N 3.46Å; V313-D315 PolarHBondContact O-N 2.91Å; V313-V316 PolarHBondContact O-N 2.85Å; V313-L317 HydrophobicContact CG1-CD1 3.99Å; V313-L317 HydrophobicContact CG1-CG 4.37Å; V313-L317 VanDerWaalsContact O-CG 3.27Å; V313-L317 WeakPolarHBondContact O-CG 3.5Å; V313-L317 PolarHBondContact O-N 2.68Å; V313-L331 HydrophobicContact CG1-CD1 3.94Å; V313-L331 HydrophobicContact CG2-CD2 4.11Å; V313-S504 WeakPolarHBondContact CG2-O 3.37Å; V313-I506 HydrophobicContact CG1-CD1 4.29Å; V313-I506 HydrophobicContact CG1-CG1 4.45Å; V313-I506 HydrophobicContact CG2-CG1 4.43Å
314	L	98.6	Very high	96.9	Very high	3 Å²	3	44 Å²	44	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-36.3	179.2	-68.8	173.4	0	0	0	112.3	L172 I176 L184 L255 A258 A259 L310 A311 E312 L317 G318	L172-L314 HydrophobicContact CD1-CD2 4.19Å; L172-L314 HydrophobicContact CD2-CD2 4.01Å; I176-L314 HydrophobicContact CD1-CD1 3.98Å; L184-L314 HydrophobicContact CD1-CD2 4.33Å; L184-L314 HydrophobicContact CD2-CD2 4.39Å; L255-L314 WeakPolarHBondContact CD2-O 3.5Å; L255-L314 HydrophobicContact CG-CD2 4.45Å; A258-L314 HydrophobicContact CB-CD1 3.9Å; A259-L314 HydrophobicContact CB-CB 3.88Å; A259-L314 HydrophobicContact CB-CD1 4.24Å; L310-L314 VanDerWaalsContact O-CG 3.27Å; L310-L314 WeakPolarHBondContact O-CG 3.39Å; L310-L314 PolarHBondContact O-N 2.74Å; A311-L314 PolarHBondContact O-N 3.11Å; E312-L314 VanDerWaalsContact C-N 3.32Å; E312-L314 PolarHBondContact O-N 2.92Å; L314-L317 PolarHBondContact O-N 2.86Å; L314-G318 PolarHBondContact O-N 3.14Å
315	D	98.1	Very high	96.9	Very high	89 Å²	89	39.1 Å²	39.1	48%	0.476	23%	0.233	S	C	.	.	H	α-helix	trans	-65.6	-41.7	174	-75.5	-20.6	0	0	0	111.9	A311 E312 V313 G318 T319	A311-D315 PolarHBondContact O-N 2.8Å; E312-D315 PolarHBondContact O-N 3.34Å; V313-D315 PolarHBondContact O-N 2.91Å; D315-G318 PolarHBondContact O-N 2.84Å; D315-T319 WeakPolarHBondContact O-CG2 3.36Å; D315-T319 PolarHBondContact O-N 2.87Å; D315-T319 PolarHBondContact O-OG1 3.17Å
316	V	97.7	Very high	97	Very high	55 Å²	55	38.7 Å²	38.7	33%	0.333	23%	0.231	S	C	.	.	H	α-helix	trans	-61.7	-46.3	174.3	169.9	0	0	0	0	110.7	E312 V313 G318 T319 S320 A324	E312-V316 WeakPolarHBondContact O-CG2 3.27Å; E312-V316 PolarHBondContact O-N 3.06Å; V313-V316 PolarHBondContact O-N 2.85Å; V316-G318 VanDerWaalsContact C-N 3.31Å; V316-G318 PolarHBondContact O-N 3.1Å; V316-T319 PolarHBondContact O-N 2.91Å; V316-T319 PolarHBondContact O-OG1 2.99Å; V316-T319 VanDerWaalsContact O-OG1 3.09Å; V316-S320 VanDerWaalsContact O-CB 3.27Å; V316-S320 WeakPolarHBondContact O-CB 3.1Å; V316-S320 PolarHBondContact O-N 2.87Å; V316-S320 PolarHBondContact O-OG 3.34Å; V316-A324 HydrophobicContact CG1-CB 3.84Å
317	L	98.2	Very high	96.8	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-66.6	-32	177.1	-67.4	176.7	0	0	0	112.7	L184 V236 W251 L255 V313 L314 G321 A324 F325 L331	L184-L317 HydrophobicContact CD1-CD1 4.46Å; V236-L317 HydrophobicContact CG1-CD1 4.32Å; V236-L317 HydrophobicContact CG1-CD2 4.18Å; V236-L317 HydrophobicContact CG2-CD1 3.9Å; W251-L317 PolarHBondContact NE1-O 3.31Å; L255-L317 HydrophobicContact CD2-CB 3.5Å; L255-L317 VanDerWaalsContact CD2-CB 3.5Å; V313-L317 HydrophobicContact CG1-CD1 3.99Å; V313-L317 HydrophobicContact CG1-CG 4.37Å; V313-L317 VanDerWaalsContact O-CG 3.27Å; V313-L317 WeakPolarHBondContact O-CG 3.5Å; V313-L317 PolarHBondContact O-N 2.68Å; L314-L317 PolarHBondContact O-N 2.86Å; L317-G321 CarbonylContact O-C 3.28Å; L317-G321 WeakPolarHBondContact O-CA 3.44Å; L317-G321 PolarHBondContact O-N 2.93Å; L317-A324 HydrophobicContact CD2-CB 4.36Å; L317-F325 HydrophobicContact CD2-CB 3.88Å; L317-F325 HydrophobicContact CD2-CD2 4.37Å; L317-L331 HydrophobicContact CD2-CD1 4.41Å
318	G	97.4	Very high	96	Very high	11 Å²	11	39.3 Å²	39.3	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-68.6	-40.7	176.2	0	0	0	0	0	112.3	S252 L314 D315 V316	S252-G318 WeakPolarHBondContact CB-O 3.05Å; L314-G318 PolarHBondContact O-N 3.14Å; D315-G318 PolarHBondContact O-N 2.84Å; V316-G318 VanDerWaalsContact C-N 3.31Å; V316-G318 PolarHBondContact O-N 3.1Å
319	T	95.9	Very high	95.6	Very high	114 Å²	114	37.2 Å²	37.2	70%	0.699	24%	0.243	S	C	*	.	H	α-helix	trans	-83.3	-40.6	-177.7	52.6	0	0	0	0	113.4	D315 V316	D315-T319 WeakPolarHBondContact O-CG2 3.36Å; D315-T319 PolarHBondContact O-N 2.87Å; D315-T319 PolarHBondContact O-OG1 3.17Å; V316-T319 PolarHBondContact O-N 2.91Å; V316-T319 PolarHBondContact O-OG1 2.99Å; V316-T319 VanDerWaalsContact O-OG1 3.09Å
320	S	95.6	Very high	95.5	Very high	75 Å²	75	41.1 Å²	41.1	52%	0.524	26%	0.264	S	S	.	.	H	α-helix	trans	-103	-5	-172.8	-55.4	0	0	0	0	113.3	V316	V316-S320 VanDerWaalsContact O-CB 3.27Å; V316-S320 WeakPolarHBondContact O-CB 3.1Å; V316-S320 PolarHBondContact O-N 2.87Å; V316-S320 PolarHBondContact O-OG 3.34Å
321	G	96	Very high	95.5	Very high	14 Å²	14	41.2 Å²	41.2	14%	0.144	26%	0.264	C	S	.	.			trans	69.9	-170.4	-177.5	0	0	0	0	0	113.1	L317 A323 A324	L317-G321 CarbonylContact O-C 3.28Å; L317-G321 WeakPolarHBondContact O-CA 3.44Å; L317-G321 PolarHBondContact O-N 2.93Å; G321-A323 PolarHBondContact O-N 3.06Å; G321-A324 PolarHBondContact O-N 2.83Å
322	P	96.4	Very high	95.5	Very high	13 Å²	13	41 Å²	41	8%	0.084	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.5	-177.4	31.6	-41.4	0	0	0	113.3	V236 H240 A324 F325 Y326	V236-P322 HydrophobicContact CG1-CB 4Å; H240-P322 HydrophobicContact CB-CB 4.47Å; H240-P322 HydrophobicContact CB-CG 4.43Å; H240-P322 WeakPolarHBondContact CD2-CG 3.42Å; P322-A324 PolarHBondContact O-N 3.34Å; P322-F325 WeakPolarHBondContact O-CB 3.34Å; P322-F325 PolarHBondContact O-N 3.47Å; P322-Y326 WeakPolarHBondContact O-CD2 3.45Å; P322-Y326 PolarHBondContact O-N 2.72Å
323	A	95.6	Very high	95.5	Very high	55 Å²	55	38 Å²	38	46%	0.455	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-30.3	178.9	0	0	0	0	0	112	G321 F325 Y326 A327	G321-A323 PolarHBondContact O-N 3.06Å; A323-F325 PolarHBondContact O-N 3.41Å; A323-F325 VanDerWaalsContact O-N 3.12Å; A323-Y326 PolarHBondContact O-N 2.93Å; A323-A327 HydrophobicContact CB-CB 4.28Å; A323-A327 WeakPolarHBondContact O-CB 3.25Å; A323-A327 PolarHBondContact O-N 3.48Å
324	A	96.4	Very high	95.5	Very high	14 Å²	14	38.5 Å²	38.5	12%	0.116	25%	0.253	C	S	.	.	H	α-helix	trans	-68.7	-1.8	174.1	0	0	0	0	0	114.4	V316 L317 G321 P322 S329 L331	V316-A324 HydrophobicContact CG1-CB 3.84Å; L317-A324 HydrophobicContact CD2-CB 4.36Å; G321-A324 PolarHBondContact O-N 2.83Å; P322-A324 PolarHBondContact O-N 3.34Å; A324-S329 WeakPolarHBondContact O-CB 3.34Å; A324-S329 PolarHBondContact O-OG 3.34Å; A324-L331 WeakPolarHBondContact O-CB 3.43Å; A324-L331 WeakPolarHBondContact O-CD1 3.22Å
325	F	97.5	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-109.5	-30.9	173.3	-163.6	-86	0	0	0	112.8	L184 P233 V236 L317 P322 A323 T332 M335 F351 I506	L184-F325 HydrophobicContact CB-CE2 4.47Å; P233-F325 HydrophobicContact CB-CE1 3.96Å; P233-F325 HydrophobicContact CB-CZ 4.05Å; P233-F325 HydrophobicContact CG-CE1 4.41Å; P233-F325 HydrophobicContact CG-CZ 4.45Å; V236-F325 HydrophobicContact CB-CD2 4.47Å; V236-F325 HydrophobicContact CB-CG 4.29Å; V236-F325 HydrophobicContact CG1-CB 4.25Å; V236-F325 HydrophobicContact CG1-CG 4.49Å; V236-F325 HydrophobicContact CG2-CD2 3.8Å; V236-F325 HydrophobicContact CG2-CE2 3.96Å; V236-F325 HydrophobicContact CG2-CG 4.12Å; V236-F325 HydrophobicContact CG2-CZ 4.4Å; L317-F325 HydrophobicContact CD2-CB 3.88Å; L317-F325 HydrophobicContact CD2-CD2 4.37Å; P322-F325 WeakPolarHBondContact O-CB 3.34Å; P322-F325 PolarHBondContact O-N 3.47Å; A323-F325 PolarHBondContact O-N 3.41Å; A323-F325 VanDerWaalsContact O-N 3.12Å; F325-T332 PolarHBondContact O-OG1 2.99Å; F325-M335 HydrophobicContact CD1-CE 3.86Å; F325-M335 HydrophobicContact CD2-CE 4.18Å; F325-M335 HydrophobicContact CE1-CE 3.55Å; F325-M335 HydrophobicContact CE1-SD 3.94Å; F325-M335 HydrophobicContact CE2-CE 3.89Å; F325-M335 HydrophobicContact CE2-SD 4.02Å; F325-M335 HydrophobicContact CG-CE 4.18Å; F325-M335 HydrophobicContact CZ-CE 3.57Å; F325-M335 HydrophobicContact CZ-SD 3.5Å; F325-M335 VanDerWaalsContact CZ-SD 3.5Å; F325-F351 HydrophobicContact CD1-CD1 4.5Å; F325-F351 HydrophobicContact CD1-CE1 4.42Å; F325-F351 HydrophobicContact CE1-CD1 4.46Å; F325-F351 AromaticContact CE1-CE1 3.99Å; F325-F351 HydrophobicContact CE1-CE1 3.99Å; F325-I506 HydrophobicContact CE2-CD1 3.96Å
326	Y	96.6	Very high	95.5	Very high	10 Å²	10	34.7 Å²	34.7	4%	0.039	23%	0.233	C	C	.	.	H	α-helix	trans	-115.6	-24.7	-168.8	-63.6	-86.5	0	0	0	115.4	P233 V236 K237 P322 A323 G328 F351 Y354	P233-Y326 VanDerWaalsContact O-CE1 3.24Å; P233-Y326 WeakPolarHBondContact O-CE1 3.41Å; P233-Y326 PolarHBondContact O-OH 2.91Å; V236-Y326 HydrophobicContact CB-CE2 3.97Å; V236-Y326 HydrophobicContact CG1-CE2 4.16Å; K237-Y326 HydrophobicContact CB-CE2 4.03Å; K237-Y326 HydrophobicContact CD-CE2 4.47Å; K237-Y326 HydrophobicContact CG-CD2 3.77Å; K237-Y326 HydrophobicContact CG-CE1 4.16Å; K237-Y326 HydrophobicContact CG-CE2 3.33Å; K237-Y326 HydrophobicContact CG-CG 4.4Å; K237-Y326 PolarHBondContact N-OH 3.39Å; P322-Y326 WeakPolarHBondContact O-CD2 3.45Å; P322-Y326 PolarHBondContact O-N 2.72Å; A323-Y326 PolarHBondContact O-N 2.93Å; Y326-G328 PolarHBondContact O-N 2.85Å; Y326-F351 HydrophobicContact CD1-CB 4.3Å; Y326-F351 AromaticContact CD1-CD1 3.89Å; Y326-F351 HydrophobicContact CD1-CD1 3.89Å; Y326-F351 WeakPolarHBondContact CD1-O 3.2Å; Y326-F351 HydrophobicContact CE1-CD1 4.26Å; Y326-Y354 HydrophobicContact CD1-CD1 4.39Å; Y326-Y354 AromaticContact CE1-CD1 3.7Å; Y326-Y354 HydrophobicContact CE1-CD1 3.7Å; Y326-Y354 HydrophobicContact CE1-CE1 4.46Å; Y326-Y354 HydrophobicContact CE1-CG 4.28Å
327	A	90.5	Very high	95.5	Very high	72 Å²	72	34.8 Å²	34.8	60%	0.595	24%	0.239	S	C	*	.	S	Bend	trans	-95.8	49.1	-166.7	0	0	0	0	0	113.9	A323 S329	A323-A327 HydrophobicContact CB-CB 4.28Å; A323-A327 WeakPolarHBondContact O-CB 3.25Å; A323-A327 PolarHBondContact O-N 3.48Å; A327-S329 PolarHBondContact O-N 2.89Å
328	G	79.5	Confident	95.5	Very high	36 Å²	36	36.2 Å²	36.2	37%	0.371	25%	0.246	S	C	.	.	S	Bend	trans	65.9	23.4	179.6	0	0	0	0	0	113.8	Y326	Y326-G328 PolarHBondContact O-N 2.85Å
329	S	89.6	Confident	95.5	Very high	24 Å²	24	35.7 Å²	35.7	17%	0.168	24%	0.24	C	C	.	.			trans	-71	171.6	178.1	69.4	0	0	0	0	111.9	A324 A327 L331 T332 L333	A324-S329 WeakPolarHBondContact O-CB 3.34Å; A324-S329 PolarHBondContact O-OG 3.34Å; A327-S329 PolarHBondContact O-N 2.89Å; S329-L331 VanDerWaalsContact C-N 3.26Å; S329-L331 PolarHBondContact O-N 2.8Å; S329-L331 PolarHBondContact OG-N 3.38Å; S329-T332 PolarHBondContact N-OG1 2.83Å; S329-T332 WeakPolarHBondContact O-CB 3.49Å; S329-T332 PolarHBondContact O-N 3.29Å; S329-T332 VanDerWaalsContact O-N 3.09Å; S329-T332 PolarHBondContact OG-N 2.96Å; S329-T332 PolarHBondContact OG-OG1 3.03Å; S329-L333 WeakPolarHBondContact O-CG 3.31Å; S329-L333 PolarHBondContact O-N 3.19Å
330	N	94.4	Very high	95.6	Very high	121 Å²	121	34.7 Å²	34.7	65%	0.647	23%	0.228	S	C	*	.	H	α-helix	trans	-57	-39.6	174.6	-168	23.1	0	0	0	112.4	T332 L333 E334	N330-T332 VanDerWaalsContact C-N 3.35Å; N330-T332 PolarHBondContact O-N 2.98Å; N330-L333 PolarHBondContact O-N 2.91Å; N330-E334 WeakPolarHBondContact O-CG 3.31Å; N330-E334 PolarHBondContact O-N 2.93Å
331	L	97.5	Very high	95.7	Very high	13 Å²	13	39 Å²	39	7%	0.068	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-40.9	176.4	-61.5	-176.1	0	0	0	111.7	V313 L317 A324 S329 E334 M335 I506	V313-L331 HydrophobicContact CG1-CD1 3.94Å; V313-L331 HydrophobicContact CG2-CD2 4.11Å; L317-L331 HydrophobicContact CD2-CD1 4.41Å; A324-L331 WeakPolarHBondContact O-CB 3.43Å; A324-L331 WeakPolarHBondContact O-CD1 3.22Å; S329-L331 VanDerWaalsContact C-N 3.26Å; S329-L331 PolarHBondContact O-N 2.8Å; S329-L331 PolarHBondContact OG-N 3.38Å; L331-E334 VanDerWaalsContact O-CG 3.22Å; L331-E334 WeakPolarHBondContact O-CG 3.38Å; L331-M335 VanDerWaalsContact O-CE 3.22Å; L331-M335 WeakPolarHBondContact O-CE 3.18Å; L331-M335 WeakPolarHBondContact O-CG 3.29Å; L331-M335 PolarHBondContact O-N 2.79Å; L331-I506 HydrophobicContact CD2-CD1 4.21Å
332	T	97.9	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-50.3	175.5	-45	0	0	0	0	110.9	F325 S329 N330 E334 M335 V336 F351	F325-T332 PolarHBondContact O-OG1 2.99Å; S329-T332 PolarHBondContact N-OG1 2.83Å; S329-T332 WeakPolarHBondContact O-CB 3.49Å; S329-T332 PolarHBondContact O-N 3.29Å; S329-T332 VanDerWaalsContact O-N 3.09Å; S329-T332 PolarHBondContact OG-N 2.96Å; S329-T332 PolarHBondContact OG-OG1 3.03Å; N330-T332 VanDerWaalsContact C-N 3.35Å; N330-T332 PolarHBondContact O-N 2.98Å; T332-E334 PolarHBondContact O-N 2.88Å; T332-M335 PolarHBondContact O-N 2.79Å; T332-V336 WeakPolarHBondContact O-CG2 3.33Å; T332-V336 PolarHBondContact O-N 3.02Å; T332-F351 HydrophobicContact CG2-CB 3.73Å; T332-F351 HydrophobicContact CG2-CD1 4.17Å; T332-F351 HydrophobicContact CG2-CD2 3.97Å; T332-F351 HydrophobicContact CG2-CG 3.71Å
333	L	98.1	Very high	95.8	Very high	73 Å²	73	39.8 Å²	39.8	38%	0.382	25%	0.248	S	C	.	.	H	α-helix	trans	-63.3	-40.9	-177	-67.2	175.7	0	0	0	112.4	S329 N330 V336 A337 E348	S329-L333 WeakPolarHBondContact O-CG 3.31Å; S329-L333 PolarHBondContact O-N 3.19Å; N330-L333 PolarHBondContact O-N 2.91Å; L333-V336 PolarHBondContact O-N 3.22Å; L333-A337 VanDerWaalsContact O-CB 3.26Å; L333-A337 WeakPolarHBondContact O-CB 3.45Å; L333-A337 PolarHBondContact O-N 2.9Å; L333-E348 HydrophobicContact CD2-CG 3.87Å; L333-E348 WeakPolarHBondContact CD2-OE1 3.36Å; L333-E348 WeakPolarHBondContact CD2-OE2 3.43Å
334	E	97.6	Very high	95.9	Very high	15 Å²	15	37.7 Å²	37.7	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-36.3	178.9	72.4	169.3	-150.4	0	0	112.6	N330 L331 T332 A337 E338 T502 P503 S504	N330-E334 WeakPolarHBondContact O-CG 3.31Å; N330-E334 PolarHBondContact O-N 2.93Å; L331-E334 VanDerWaalsContact O-CG 3.22Å; L331-E334 WeakPolarHBondContact O-CG 3.38Å; T332-E334 PolarHBondContact O-N 2.88Å; E334-A337 PolarHBondContact O-N 2.99Å; E334-E338 VanDerWaalsContact O-CB 3.3Å; E334-E338 WeakPolarHBondContact O-CB 3.31Å; E334-E338 PolarHBondContact O-N 3.07Å; E334-T502 HydrophobicContact CG-CG2 4.24Å; E334-T502 WeakPolarHBondContact OE1-CB 3.35Å; E334-T502 PolarHBondContact OE1-OG1 2.75Å; E334-P503 HydrophobicContact CB-CG 4.39Å; E334-S504 VanDerWaalsContact CD-OG 3.23Å; E334-S504 WeakPolarHBondContact OE1-CB 3.36Å; E334-S504 PolarHBondContact OE1-N 3.04Å; E334-S504 PolarHBondContact OE1-OG 3.02Å; E334-S504 WeakPolarHBondContact OE2-CB 3.38Å; E334-S504 PolarHBondContact OE2-N 3.34Å; E334-S504 VanDerWaalsContact OE2-N 3.17Å; E334-S504 PolarHBondContact OE2-OG 3.34Å
335	M	98.4	Very high	95.9	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-44.9	176.1	-74.1	-174	-74	0	0	110.7	P233 F325 L331 T332 A339 F351 T502 I506 L508	P233-M335 HydrophobicContact CG-SD 4.4Å; F325-M335 HydrophobicContact CD1-CE 3.86Å; F325-M335 HydrophobicContact CD2-CE 4.18Å; F325-M335 HydrophobicContact CE1-CE 3.55Å; F325-M335 HydrophobicContact CE1-SD 3.94Å; F325-M335 HydrophobicContact CE2-CE 3.89Å; F325-M335 HydrophobicContact CE2-SD 4.02Å; F325-M335 HydrophobicContact CG-CE 4.18Å; F325-M335 HydrophobicContact CZ-CE 3.57Å; F325-M335 HydrophobicContact CZ-SD 3.5Å; F325-M335 VanDerWaalsContact CZ-SD 3.5Å; L331-M335 VanDerWaalsContact O-CE 3.22Å; L331-M335 WeakPolarHBondContact O-CE 3.18Å; L331-M335 WeakPolarHBondContact O-CG 3.29Å; L331-M335 PolarHBondContact O-N 2.79Å; T332-M335 PolarHBondContact O-N 2.79Å; M335-A339 WeakPolarHBondContact O-CB 3.4Å; M335-A339 PolarHBondContact O-N 3.13Å; M335-F351 HydrophobicContact CB-CZ 3.96Å; M335-F351 HydrophobicContact CE-CD1 4.17Å; M335-F351 HydrophobicContact CE-CE1 3.36Å; M335-F351 HydrophobicContact CE-CZ 3.81Å; M335-F351 HydrophobicContact SD-CE1 3.91Å; M335-F351 HydrophobicContact SD-CZ 3.99Å; M335-T502 HydrophobicContact CB-CG2 4.28Å; M335-T502 HydrophobicContact CG-CG2 3.63Å; M335-I506 HydrophobicContact SD-CD1 4.33Å; M335-I506 HydrophobicContact SD-CG2 4.22Å; M335-L508 HydrophobicContact CB-CD2 4.31Å; M335-L508 HydrophobicContact CG-CD2 3.92Å; M335-L508 HydrophobicContact SD-CD2 4.15Å
336	V	98.5	Very high	95.9	Very high	10 Å²	10	38.9 Å²	38.9	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-48.1	175.7	170.5	0	0	0	0	110.5	T332 L333 A339 Q340 E348 F351	T332-V336 WeakPolarHBondContact O-CG2 3.33Å; T332-V336 PolarHBondContact O-N 3.02Å; L333-V336 PolarHBondContact O-N 3.22Å; V336-A339 PolarHBondContact O-N 3.47Å; V336-Q340 HydrophobicContact CG1-CG 4.34Å; V336-Q340 WeakPolarHBondContact O-CB 3.48Å; V336-Q340 VanDerWaalsContact O-CG 3.26Å; V336-Q340 WeakPolarHBondContact O-CG 3.43Å; V336-Q340 PolarHBondContact O-N 2.94Å; V336-E348 HydrophobicContact CG2-CG 4.25Å; V336-F351 HydrophobicContact CG2-CD2 4.02Å; V336-F351 HydrophobicContact CG2-CE2 3.78Å
337	A	98.3	Very high	96	Very high	56 Å²	56	40.4 Å²	40.4	46%	0.463	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-45	-179.6	0	0	0	0	0	112.3	L333 E334 Q340 H341	L333-A337 VanDerWaalsContact O-CB 3.26Å; L333-A337 WeakPolarHBondContact O-CB 3.45Å; L333-A337 PolarHBondContact O-N 2.9Å; E334-A337 PolarHBondContact O-N 2.99Å; A337-Q340 PolarHBondContact O-N 3.14Å; A337-H341 VanDerWaalsContact O-CB 3.25Å; A337-H341 WeakPolarHBondContact O-CB 3.38Å; A337-H341 PolarHBondContact O-N 3.36Å
338	E	98.1	Very high	96.3	Very high	32 Å²	32	41.5 Å²	41.5	15%	0.15	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-46.8	179.4	-171.6	64.5	-150.3	0	0	111.2	E334 H341 A342 L500 T502	E334-E338 VanDerWaalsContact O-CB 3.3Å; E334-E338 WeakPolarHBondContact O-CB 3.31Å; E334-E338 PolarHBondContact O-N 3.07Å; E338-H341 PolarHBondContact O-N 2.85Å; E338-A342 PolarHBondContact O-N 3.34Å; E338-A342 VanDerWaalsContact O-N 3.14Å; E338-L500 HydrophobicContact CG-CB 4.21Å; E338-T502 HydrophobicContact CB-CG2 4.4Å
339	A	98	Very high	97.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-44.4	178	0	0	0	0	0	112	G227 V230 M335 V336 A342 G343 G344 I346 L508	G227-A339 WeakPolarHBondContact CA-O 3.36Å; V230-A339 HydrophobicContact CG2-CB 4.41Å; M335-A339 WeakPolarHBondContact O-CB 3.4Å; M335-A339 PolarHBondContact O-N 3.13Å; V336-A339 PolarHBondContact O-N 3.47Å; A339-A342 CarbonylContact O-C 3.51Å; A339-A342 PolarHBondContact O-N 3.29Å; A339-G343 PolarHBondContact O-N 2.84Å; A339-G344 VanDerWaalsContact O-CA 3.3Å; A339-G344 WeakPolarHBondContact O-CA 3.27Å; A339-G344 PolarHBondContact O-N 3.22Å; A339-I346 HydrophobicContact CB-CG2 3.47Å; A339-I346 VanDerWaalsContact CB-CG2 3.47Å; A339-L508 HydrophobicContact CB-CD1 4.22Å
340	Q	97.9	Very high	97.6	Very high	94 Å²	94	45.8 Å²	45.8	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-67.9	-37.6	178.6	-72.3	-179.3	2.4	0	0	112.6	V336 A337 A342 G343 I346	V336-Q340 HydrophobicContact CG1-CG 4.34Å; V336-Q340 WeakPolarHBondContact O-CB 3.48Å; V336-Q340 VanDerWaalsContact O-CG 3.26Å; V336-Q340 WeakPolarHBondContact O-CG 3.43Å; V336-Q340 PolarHBondContact O-N 2.94Å; A337-Q340 PolarHBondContact O-N 3.14Å; Q340-A342 PolarHBondContact O-N 2.92Å; Q340-G343 PolarHBondContact O-N 3.44Å; Q340-I346 PolarHBondContact NE2-O 3.47Å
341	H	97.4	Very high	97.8	Very high	166 Å²	166	40.1 Å²	40.1	77%	0.769	22%	0.218	S	C	*	.	H	α-helix	trans	-57.9	-37	172.9	-174.7	72.2	0	0	0	111.3	A337 E338 G343	A337-H341 VanDerWaalsContact O-CB 3.25Å; A337-H341 WeakPolarHBondContact O-CB 3.38Å; A337-H341 PolarHBondContact O-N 3.36Å; E338-H341 PolarHBondContact O-N 2.85Å; H341-G343 PolarHBondContact O-N 3.16Å
342	A	97.2	Very high	97.7	Very high	18 Å²	18	43 Å²	43	15%	0.149	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	15.9	174.6	0	0	0	0	0	114.6	K225 P226 G227 E338 A339 Q340 L500	K225-A342 CarbonylContact C-O 3.5Å; K225-A342 WeakPolarHBondContact CA-O 3.43Å; P226-A342 HydrophobicContact CG-CB 4.15Å; G227-A342 PolarHBondContact N-O 3.07Å; G227-A342 VanDerWaalsContact N-O 3.14Å; E338-A342 PolarHBondContact O-N 3.34Å; E338-A342 VanDerWaalsContact O-N 3.14Å; A339-A342 CarbonylContact O-C 3.51Å; A339-A342 PolarHBondContact O-N 3.29Å; Q340-A342 PolarHBondContact O-N 2.92Å; A342-L500 HydrophobicContact CB-CD1 3.5Å; A342-L500 VanDerWaalsContact CB-CD1 3.5Å; A342-L500 HydrophobicContact CB-CD2 3.72Å; A342-L500 HydrophobicContact CB-CG 4.26Å
343	G	96.7	Very high	97.6	Very high	25 Å²	25	48.2 Å²	48.2	26%	0.258	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	13.1	175.1	0	0	0	0	0	115.4	L228 A339 Q340 H341	L228-G343 VanDerWaalsContact CD2-O 3.28Å; L228-G343 WeakPolarHBondContact CD2-O 3.48Å; L228-G343 WeakPolarHBondContact CG-O 3.33Å; A339-G343 PolarHBondContact O-N 2.84Å; Q340-G343 PolarHBondContact O-N 3.44Å; H341-G343 PolarHBondContact O-N 3.16Å
344	G	97.4	Very high	97.6	Very high	11 Å²	11	45.5 Å²	45.5	11%	0.113	25%	0.252	C	S	.	.			trans	-74.8	173.2	174.4	0	0	0	0	0	114.3	G227 A339	G227-G344 WeakPolarHBondContact O-CA 3.45Å; A339-G344 VanDerWaalsContact O-CA 3.3Å; A339-G344 WeakPolarHBondContact O-CA 3.27Å; A339-G344 PolarHBondContact O-N 3.22Å
345	V	97.4	Very high	97.5	Very high	37 Å²	37	47.9 Å²	47.9	22%	0.224	27%	0.271	C	S	.	.			trans	-129.9	8.4	-174.5	-61.3	0	0	0	0	113.2	P210 A212 L213 L228	P210-V345 HydrophobicContact CB-CG2 4.27Å; A212-V345 HydrophobicContact CB-CB 4.08Å; A212-V345 HydrophobicContact CB-CG2 4.42Å; L213-V345 HydrophobicContact CB-CG2 3.87Å; L213-V345 HydrophobicContact CD1-CG2 3.77Å; L213-V345 HydrophobicContact CG-CG2 4.44Å; L228-V345 HydrophobicContact CD2-CG1 4.03Å; L228-V345 HydrophobicContact CD2-CG2 4.49Å
346	I	97.6	Very high	97.4	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	28%	0.277	C	S	.	.			trans	-65.4	143.4	175.2	-162.9	168.7	0	0	0	110.4	P210 V230 V232 A339 Q340 D350 F351	P210-I346 HydrophobicContact CB-CB 4.34Å; P210-I346 HydrophobicContact CB-CG1 4.46Å; P210-I346 HydrophobicContact CG-CB 4.06Å; P210-I346 HydrophobicContact CG-CG1 4.21Å; V230-I346 HydrophobicContact CG1-CD1 4.31Å; V232-I346 HydrophobicContact CB-CD1 4.45Å; V232-I346 HydrophobicContact CG2-CD1 4.04Å; V232-I346 HydrophobicContact CG2-CG1 4.43Å; A339-I346 HydrophobicContact CB-CG2 3.47Å; A339-I346 VanDerWaalsContact CB-CG2 3.47Å; Q340-I346 PolarHBondContact NE2-O 3.47Å; I346-D350 HydrophobicContact CG1-CB 4.2Å; I346-F351 HydrophobicContact CD1-CD2 4.24Å; I346-F351 HydrophobicContact CD1-CE2 3.43Å; I346-F351 VanDerWaalsContact CD1-CE2 3.43Å; I346-F351 HydrophobicContact CD1-CZ 3.87Å; I346-F351 HydrophobicContact CG1-CD2 4.32Å; I346-F351 HydrophobicContact CG1-CE2 3.8Å
347	T	97.7	Very high	97.4	Very high	43 Å²	43	50.2 Å²	50.2	26%	0.264	29%	0.285	S	S	.	.			trans	-129.3	164	-175.3	66.4	0	0	0	0	111.1	E349 D350 F351	T347-E349 PolarHBondContact O-N 3.14Å; T347-D350 PolarHBondContact N-OD2 2.81Å; T347-D350 WeakPolarHBondContact O-CB 3.5Å; T347-D350 PolarHBondContact O-N 3.42Å; T347-D350 PolarHBondContact OG1-N 2.71Å; T347-D350 PolarHBondContact OG1-OD2 3.36Å; T347-F351 WeakPolarHBondContact O-CD2 3.28Å
348	E	97.4	Very high	97.4	Very high	94 Å²	94	50.2 Å²	50.2	44%	0.439	28%	0.279	S	S	.	.	H	α-helix	trans	-60.8	-34.3	173.3	-65.5	175.5	-123.8	0	0	112.4	L333 V336 D350 F351 S352	L333-E348 HydrophobicContact CD2-CG 3.87Å; L333-E348 WeakPolarHBondContact CD2-OE1 3.36Å; L333-E348 WeakPolarHBondContact CD2-OE2 3.43Å; V336-E348 HydrophobicContact CG2-CG 4.25Å; E348-D350 VanDerWaalsContact C-N 3.27Å; E348-D350 PolarHBondContact O-N 2.88Å; E348-F351 PolarHBondContact O-N 2.94Å; E348-F351 VanDerWaalsContact O-N 3.16Å; E348-S352 PolarHBondContact O-N 3.09Å
349	E	97.4	Very high	97.3	Very high	130 Å²	130	52.3 Å²	52.3	61%	0.607	29%	0.289	S	S	*	.	H	α-helix	trans	-60.8	-40.3	177.7	-178.4	172	-172.9	0	0	110.9	T347 F351 S352 N353	T347-E349 PolarHBondContact O-N 3.14Å; E349-F351 VanDerWaalsContact C-N 3.3Å; E349-F351 PolarHBondContact O-N 2.85Å; E349-S352 WeakPolarHBondContact CA-OG 3.32Å; E349-S352 PolarHBondContact O-N 3.23Å; E349-S352 VanDerWaalsContact O-N 3.15Å; E349-S352 PolarHBondContact O-OG 2.89Å; E349-N353 WeakPolarHBondContact CG-ND2 3.28Å; E349-N353 WeakPolarHBondContact O-CB 3.48Å; E349-N353 PolarHBondContact O-N 3.29Å; E349-N353 PolarHBondContact O-ND2 3.49Å
350	D	98.2	Very high	97.3	Very high	20 Å²	20	60.5 Å²	60.5	11%	0.107	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-41	175.9	-61.2	-51.2	0	0	0	111.9	G211 V232 I346 T347 E348 Y354	G211-D350 PolarHBondContact N-OD1 2.92Å; V232-D350 HydrophobicContact CG2-CB 3.67Å; I346-D350 HydrophobicContact CG1-CB 4.2Å; T347-D350 PolarHBondContact N-OD2 2.81Å; T347-D350 WeakPolarHBondContact O-CB 3.5Å; T347-D350 PolarHBondContact O-N 3.42Å; T347-D350 PolarHBondContact OG1-N 2.71Å; T347-D350 PolarHBondContact OG1-OD2 3.36Å; E348-D350 VanDerWaalsContact C-N 3.27Å; E348-D350 PolarHBondContact O-N 2.88Å; D350-Y354 PolarHBondContact O-N 2.86Å
351	F	98.2	Very high	97.3	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.009	31%	0.308	C	S	.	.	H	α-helix	trans	-68.7	-41.7	175.5	-78.6	-96.3	0	0	0	112.2	V232 P233 F325 Y326 T332 M335 V336 I346 T347 E348 E349 N353 Y354	V232-F351 HydrophobicContact CG1-CD1 4.19Å; V232-F351 HydrophobicContact CG1-CE1 4.47Å; V232-F351 HydrophobicContact CG1-CG 4.25Å; P233-F351 HydrophobicContact CG-CE1 4.28Å; P233-F351 HydrophobicContact CG-CZ 4.41Å; F325-F351 HydrophobicContact CD1-CD1 4.5Å; F325-F351 HydrophobicContact CD1-CE1 4.42Å; F325-F351 HydrophobicContact CE1-CD1 4.46Å; F325-F351 AromaticContact CE1-CE1 3.99Å; F325-F351 HydrophobicContact CE1-CE1 3.99Å; Y326-F351 HydrophobicContact CD1-CB 4.3Å; Y326-F351 AromaticContact CD1-CD1 3.89Å; Y326-F351 HydrophobicContact CD1-CD1 3.89Å; Y326-F351 WeakPolarHBondContact CD1-O 3.2Å; Y326-F351 HydrophobicContact CE1-CD1 4.26Å; T332-F351 HydrophobicContact CG2-CB 3.73Å; T332-F351 HydrophobicContact CG2-CD1 4.17Å; T332-F351 HydrophobicContact CG2-CD2 3.97Å; T332-F351 HydrophobicContact CG2-CG 3.71Å; M335-F351 HydrophobicContact CB-CZ 3.96Å; M335-F351 HydrophobicContact CE-CD1 4.17Å; M335-F351 HydrophobicContact CE-CE1 3.36Å; M335-F351 HydrophobicContact CE-CZ 3.81Å; M335-F351 HydrophobicContact SD-CE1 3.91Å; M335-F351 HydrophobicContact SD-CZ 3.99Å; V336-F351 HydrophobicContact CG2-CD2 4.02Å; V336-F351 HydrophobicContact CG2-CE2 3.78Å; I346-F351 HydrophobicContact CD1-CD2 4.24Å; I346-F351 HydrophobicContact CD1-CE2 3.43Å; I346-F351 VanDerWaalsContact CD1-CE2 3.43Å; I346-F351 HydrophobicContact CD1-CZ 3.87Å; I346-F351 HydrophobicContact CG1-CD2 4.32Å; I346-F351 HydrophobicContact CG1-CE2 3.8Å; T347-F351 WeakPolarHBondContact O-CD2 3.28Å; E348-F351 PolarHBondContact O-N 2.94Å; E348-F351 VanDerWaalsContact O-N 3.16Å; E349-F351 VanDerWaalsContact C-N 3.3Å; E349-F351 PolarHBondContact O-N 2.85Å; F351-N353 VanDerWaalsContact C-N 3.27Å; F351-N353 PolarHBondContact O-N 3.04Å; F351-Y354 PolarHBondContact O-N 3.26Å
352	S	95.8	Very high	97.3	Very high	73 Å²	73	49.2 Å²	49.2	51%	0.51	27%	0.274	S	S	.	.	H	α-helix	trans	-66.7	-30.1	179.9	68.1	0	0	0	0	113.2	E348 E349	E348-S352 PolarHBondContact O-N 3.09Å; E349-S352 WeakPolarHBondContact CA-OG 3.32Å; E349-S352 PolarHBondContact O-N 3.23Å; E349-S352 VanDerWaalsContact O-N 3.15Å; E349-S352 PolarHBondContact O-OG 2.89Å
353	N	95.8	Very high	97.3	Very high	110 Å²	110	51.1 Å²	51.1	59%	0.588	29%	0.285	S	S	*	.	H	α-helix	trans	-87.8	-9.8	-179.8	-70.2	-22.3	0	0	0	112.9	E349 F351	E349-N353 WeakPolarHBondContact CG-ND2 3.28Å; E349-N353 WeakPolarHBondContact O-CB 3.48Å; E349-N353 PolarHBondContact O-N 3.29Å; E349-N353 PolarHBondContact O-ND2 3.49Å; F351-N353 VanDerWaalsContact C-N 3.27Å; F351-N353 PolarHBondContact O-N 3.04Å
354	Y	97.7	Very high	97.3	Very high	16 Å²	16	50.2 Å²	50.2	6%	0.063	28%	0.276	C	S	.	.			trans	-72.6	136.9	-179.3	-175.4	-90.6	0	0	0	112.5	F205 R206 S208 V232 G234 K237 Y326 D350 F351	F205-Y354 VanDerWaalsContact C-OH 3.22Å; F205-Y354 WeakPolarHBondContact CA-OH 3.34Å; F205-Y354 PolarHBondContact O-OH 3.39Å; R206-Y354 WeakPolarHBondContact O-CE2 3.3Å; R206-Y354 PolarHBondContact O-OH 3.04Å; S208-Y354 WeakPolarHBondContact OG-CD2 3.28Å; V232-Y354 HydrophobicContact CB-CD2 3.99Å; V232-Y354 HydrophobicContact CG1-CD2 3.87Å; V232-Y354 HydrophobicContact CG1-CG 3.89Å; G234-Y354 VanDerWaalsContact CA-CE1 3.47Å; G234-Y354 VanDerWaalsContact CA-CZ 3.42Å; G234-Y354 WeakPolarHBondContact CA-OH 3.39Å; K237-Y354 HydrophobicContact CB-CD1 4.31Å; K237-Y354 HydrophobicContact CB-CE1 4.02Å; K237-Y354 HydrophobicContact CG-CD1 4.31Å; Y326-Y354 HydrophobicContact CD1-CD1 4.39Å; Y326-Y354 AromaticContact CE1-CD1 3.7Å; Y326-Y354 HydrophobicContact CE1-CD1 3.7Å; Y326-Y354 HydrophobicContact CE1-CE1 4.46Å; Y326-Y354 HydrophobicContact CE1-CG 4.28Å; D350-Y354 PolarHBondContact O-N 2.86Å; F351-Y354 PolarHBondContact O-N 3.26Å
355	S	96.2	Very high	97.2	Very high	65 Å²	65	52.9 Å²	52.9	46%	0.455	29%	0.29	S	S	.	.			trans	-140.3	148.7	171.7	55.2	0	0	0	0	110.7	R538	S355-R538 PolarHBondContact O-NH2 3.22Å
356	A	97.1	Very high	97.1	Very high	18 Å²	18	51.2 Å²	51.2	15%	0.149	28%	0.28	C	S	.	.			trans	-79.3	147.8	165.1	0	0	0	0	0	109	I203 D204 F205 K237	I203-A356 HydrophobicContact CG2-CB 4.42Å; D204-A356 WeakPolarHBondContact O-CA 3.25Å; F205-A356 HydrophobicContact CB-CB 4.05Å; K237-A356 HydrophobicContact CB-CB 4.4Å
357	L	97.3	Very high	96.9	Very high	44 Å²	44	54.8 Å²	54.8	23%	0.23	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140.3	178.3	-59.4	176.8	0	0	0	109.7	I203 D204 E359 I426 R538	I203-L357 CarbonylContact C-O 3.23Å; I203-L357 WeakPolarHBondContact CA-O 3.47Å; D204-L357 HydrophobicContact CB-CB 4.4Å; D204-L357 PolarHBondContact N-O 3.47Å; D204-L357 PolarHBondContact O-N 3.23Å; L357-E359 HydrophobicContact CB-CG 4.3Å; L357-I426 HydrophobicContact CD1-CD1 4.13Å; L357-R538 VanDerWaalsContact CD1-NH1 3.34Å
358	V	98.1	Very high	96.7	Very high	55 Å²	55	54.1 Å²	54.1	33%	0.333	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	111	174.1	-178.1	0	0	0	0	108.3	H201 V202 I203 E241 L245	H201-V358 HydrophobicContact CB-CG1 4.29Å; V202-V358 CarbonylContact O-C 3.44Å; V202-V358 WeakPolarHBondContact O-CA 3.21Å; I203-V358 HydrophobicContact CG1-CG2 4.34Å; I203-V358 HydrophobicContact CG2-CG2 4.48Å; E241-V358 HydrophobicContact CG-CG2 3.64Å; L245-V358 HydrophobicContact CD1-CG1 4.08Å; L245-V358 HydrophobicContact CD1-CG2 4.15Å
359	E	96.5	Very high	96.6	Very high	77 Å²	77	51.2 Å²	51.2	36%	0.36	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	170.9	-170.1	-61.2	-173.3	103	0	0	111.5	H201 V202 L357	H201-E359 WeakPolarHBondContact CA-O 3.31Å; V202-E359 PolarHBondContact N-O 2.96Å; V202-E359 PolarHBondContact O-N 3.28Å; L357-E359 HydrophobicContact CB-CG 4.3Å
360	K	97.9	Very high	96.6	Very high	171 Å²	171	46.2 Å²	46.2	74%	0.743	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-83.5	142.7	171.6	-69.8	-175.5	177.7	-178.7	0	109.6
361	P	98.3	Very high	96.6	Very high	13 Å²	13	45.2 Å²	45.2	8%	0.084	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.2	153.3	171.7	28.8	-34.7	0	0	0	111.3	L191 S200 V202 C363 L372 S373	L191-P361 HydrophobicContact CD1-CB 3.96Å; L191-P361 HydrophobicContact CD1-CG 4.11Å; S200-P361 WeakPolarHBondContact O-CD 3.38Å; V202-P361 HydrophobicContact CG2-CB 3.77Å; P361-C363 PolarHBondContact O-SG 2.78Å; P361-C363 VanDerWaalsContact O-SG 3.36Å; P361-L372 HydrophobicContact CB-CB 4.14Å; P361-L372 HydrophobicContact CG-CB 4.24Å; P361-L372 HydrophobicContact CG-CD2 3.99Å; P361-S373 CarbonylContact C-O 3.56Å; P361-S373 WeakPolarHBondContact CA-O 3.41Å; P361-S373 VanDerWaalsContact CB-O 3.27Å; P361-S373 WeakPolarHBondContact CB-O 3.2Å
362	V	98.1	Very high	96.7	Very high	10 Å²	10	45.2 Å²	45.2	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	145.8	160.3	-63.4	0	0	0	0	109.4	L372 S373 P375 P381 M435 L439	V362-L372 WeakPolarHBondContact O-CA 3.3Å; V362-S373 VanDerWaalsContact CG2-O 3.28Å; V362-S373 WeakPolarHBondContact CG2-O 3.48Å; V362-S373 PolarHBondContact N-O 3.26Å; V362-S373 PolarHBondContact O-N 3.22Å; V362-P375 HydrophobicContact CG1-CB 3.92Å; V362-P381 HydrophobicContact CG1-CG 4.27Å; V362-P381 HydrophobicContact CG2-CG 4.28Å; V362-M435 HydrophobicContact CG1-CG 4.29Å; V362-M435 HydrophobicContact CG1-SD 3.61Å; V362-L439 HydrophobicContact CB-CD1 4.17Å; V362-L439 HydrophobicContact CB-CD2 4.22Å; V362-L439 HydrophobicContact CG1-CD1 4.23Å
363	C	96.4	Very high	96.8	Very high	58 Å²	58	41.8 Å²	41.8	39%	0.392	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.6	-169.7	-60.2	0	0	0	0	110.3	P361 L370 V371 L372	P361-C363 PolarHBondContact O-SG 2.78Å; P361-C363 VanDerWaalsContact O-SG 3.36Å; C363-L370 HydrophobicContact CB-CD1 4Å; C363-L370 HydrophobicContact CB-CG 4.37Å; C363-V371 WeakPolarHBondContact CA-O 3.28Å; C363-L372 HydrophobicContact CB-CD2 4.2Å; C363-L372 WeakPolarHBondContact SG-CD2 3.46Å
364	G	96.6	Very high	96.9	Very high	6 Å²	6	36.5 Å²	36.5	6%	0.062	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.2	171	0	0	0	0	0	111.7	V371	G364-V371 PolarHBondContact N-O 2.8Å; G364-V371 PolarHBondContact O-N 2.81Å
365	V	96.1	Very high	96.9	Very high	68 Å²	68	36.4 Å²	36.4	41%	0.412	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	115.1	174.2	-179.6	0	0	0	0	109.4	H369 L370 K441	V365-H369 CarbonylContact C-O 3.56Å; V365-H369 WeakPolarHBondContact CA-O 3.27Å; V365-L370 HydrophobicContact CG2-CD1 3.84Å; V365-K441 VanDerWaalsContact O-CE 3.31Å; V365-K441 WeakPolarHBondContact O-CE 3.32Å; V365-K441 PolarHBondContact O-NZ 2.97Å
366	Y	95.6	Very high	96.9	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.2	-178.7	-177.4	-107.3	0	0	0	110.3	G368 H369 L387 E391 L578 L581 T582	Y366-G368 VanDerWaalsContact C-N 3.29Å; Y366-G368 PolarHBondContact O-N 3.45Å; Y366-H369 PolarHBondContact N-O 3.01Å; Y366-H369 WeakPolarHBondContact O-CB 3.46Å; Y366-H369 PolarHBondContact O-N 3.08Å; Y366-L387 HydrophobicContact CD1-CD2 4.45Å; Y366-L387 HydrophobicContact CD2-CB 3.81Å; Y366-L387 WeakPolarHBondContact CD2-O 3.43Å; Y366-L387 HydrophobicContact CE1-CD2 4.19Å; Y366-L387 HydrophobicContact CE2-CB 4.08Å; Y366-L387 HydrophobicContact CE2-CD2 4.42Å; Y366-L387 WeakPolarHBondContact CE2-O 3.27Å; Y366-L387 HydrophobicContact CG-CB 4.16Å; Y366-E391 HydrophobicContact CD2-CB 3.85Å; Y366-E391 HydrophobicContact CD2-CG 4.12Å; Y366-E391 HydrophobicContact CE2-CB 3.67Å; Y366-E391 HydrophobicContact CE2-CG 4.14Å; Y366-L578 VanDerWaalsContact OH-CD1 3.28Å; Y366-L578 WeakPolarHBondContact OH-CD1 3.36Å; Y366-L581 HydrophobicContact CD1-CB 4.05Å; Y366-L581 HydrophobicContact CD1-CD1 3.85Å; Y366-L581 HydrophobicContact CE1-CB 3.93Å; Y366-L581 HydrophobicContact CE1-CD1 4.36Å; Y366-T582 VanDerWaalsContact CZ-OG1 3.31Å; Y366-T582 PolarHBondContact OH-OG1 3.33Å
367	R	93.2	Very high	96.9	Very high	76 Å²	76	32.8 Å²	32.8	29%	0.287	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	45.3	177.3	-60.8	-62.6	-158.5	179.8	5.3	113.9	H369 E391 L395 T582	R367-H369 VanDerWaalsContact C-N 3.26Å; R367-H369 PolarHBondContact O-N 2.9Å; R367-H369 PolarHBondContact O-ND1 3.37Å; R367-E391 PolarHBondContact N-OE1 3.4Å; R367-L395 PolarHBondContact NH2-O 3.07Å; R367-T582 WeakPolarHBondContact CG-OG1 3.06Å; R367-T582 PolarHBondContact NE-OG1 2.91Å; R367-T582 VanDerWaalsContact NE-OG1 3.09Å
368	G	92.7	Very high	96.8	Very high	28 Å²	28	30.8 Å²	30.8	29%	0.289	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	10.4	179.7	0	0	0	0	0	115.2	Y366 A551 L554	Y366-G368 VanDerWaalsContact C-N 3.29Å; Y366-G368 PolarHBondContact O-N 3.45Å; G368-A551 VanDerWaalsContact O-CB 3.27Å; G368-A551 WeakPolarHBondContact O-CB 3.48Å; G368-A551 PolarHBondContact O-N 3.45Å; G368-L554 WeakPolarHBondContact O-CD1 3.37Å
369	H	96.3	Very high	96.8	Very high	34 Å²	34	28.1 Å²	28.1	16%	0.157	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.4	175.6	-61	76.1	0	0	0	110.1	V365 Y366 R367 V548 R549 L581	V365-H369 CarbonylContact C-O 3.56Å; V365-H369 WeakPolarHBondContact CA-O 3.27Å; Y366-H369 PolarHBondContact N-O 3.01Å; Y366-H369 WeakPolarHBondContact O-CB 3.46Å; Y366-H369 PolarHBondContact O-N 3.08Å; R367-H369 VanDerWaalsContact C-N 3.26Å; R367-H369 PolarHBondContact O-N 2.9Å; R367-H369 PolarHBondContact O-ND1 3.37Å; H369-V548 HydrophobicContact CB-CG1 3.65Å; H369-R549 CarbonylContact C-O 3.42Å; H369-R549 WeakPolarHBondContact CA-O 3.32Å; H369-L581 HydrophobicContact CB-CD1 4.46Å
370	L	97.4	Very high	96.8	Very high	24 Å²	24	24.5 Å²	24.5	13%	0.126	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.4	167.2	-164.7	70.6	0	0	0	108.4	C363 V365 L372 V548 R549	C363-L370 HydrophobicContact CB-CD1 4Å; C363-L370 HydrophobicContact CB-CG 4.37Å; V365-L370 HydrophobicContact CG2-CD1 3.84Å; L370-L372 HydrophobicContact CD2-CD2 3.73Å; L370-L372 HydrophobicContact CG-CD2 3.95Å; L370-V548 WeakPolarHBondContact O-CA 3.32Å; L370-R549 HydrophobicContact CB-CG 3.97Å; L370-R549 VanDerWaalsContact CD2-CZ 3.48Å; L370-R549 VanDerWaalsContact CD2-NH2 3.3Å; L370-R549 PolarHBondContact N-O 3.41Å; L370-R549 PolarHBondContact O-N 2.84Å
371	V	98.4	Very high	96.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.5	174.6	-176.1	0	0	0	0	108	C363 G364 I384 L387 T546 V548 L577 L581	C363-V371 WeakPolarHBondContact CA-O 3.28Å; G364-V371 PolarHBondContact N-O 2.8Å; G364-V371 PolarHBondContact O-N 2.81Å; V371-I384 HydrophobicContact CB-CD1 3.81Å; V371-I384 HydrophobicContact CG1-CD1 3.69Å; V371-L387 HydrophobicContact CB-CD1 4.42Å; V371-L387 HydrophobicContact CG1-CD1 4.06Å; V371-L387 HydrophobicContact CG2-CD1 4.16Å; V371-T546 HydrophobicContact CG1-CG2 3.87Å; V371-V548 HydrophobicContact CG1-CG2 4.37Å; V371-V548 HydrophobicContact CG2-CG1 4.42Å; V371-V548 HydrophobicContact CG2-CG2 4.23Å; V371-L577 HydrophobicContact CG1-CD1 4.24Å; V371-L581 HydrophobicContact CG2-CD1 4.41Å
372	L	98.6	Very high	96.8	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.1	-176	-54.9	171.3	0	0	0	108.9	L191 S200 P361 V362 C363 L370 T546 V547	L191-L372 HydrophobicContact CD2-CB 3.98Å; L191-L372 WeakPolarHBondContact CD2-O 3.37Å; S200-L372 WeakPolarHBondContact OG-CD1 3.02Å; P361-L372 HydrophobicContact CB-CB 4.14Å; P361-L372 HydrophobicContact CG-CB 4.24Å; P361-L372 HydrophobicContact CG-CD2 3.99Å; V362-L372 WeakPolarHBondContact O-CA 3.3Å; C363-L372 HydrophobicContact CB-CD2 4.2Å; C363-L372 WeakPolarHBondContact SG-CD2 3.46Å; L370-L372 HydrophobicContact CD2-CD2 3.73Å; L370-L372 HydrophobicContact CG-CD2 3.95Å; L372-T546 WeakPolarHBondContact O-CA 3.05Å; L372-V547 WeakPolarHBondContact CA-O 3.41Å; L372-V547 HydrophobicContact CB-CB 4.38Å; L372-V547 WeakPolarHBondContact CB-O 3.49Å; L372-V547 HydrophobicContact CD1-CB 4.36Å; L372-V547 HydrophobicContact CD1-CG1 4.2Å; L372-V547 PolarHBondContact N-O 3.2Å; L372-V547 PolarHBondContact O-N 3.24Å
373	S	98.4	Very high	96.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	161.6	179	-154.3	0	0	0	0	110.3	P361 V362 G380	P361-S373 CarbonylContact C-O 3.56Å; P361-S373 WeakPolarHBondContact CA-O 3.41Å; P361-S373 VanDerWaalsContact CB-O 3.27Å; P361-S373 WeakPolarHBondContact CB-O 3.2Å; V362-S373 VanDerWaalsContact CG2-O 3.28Å; V362-S373 WeakPolarHBondContact CG2-O 3.48Å; V362-S373 PolarHBondContact N-O 3.26Å; V362-S373 PolarHBondContact O-N 3.22Å; S373-G380 WeakPolarHBondContact OG-CA 3.3Å
374	P	98.2	Very high	97	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.071	C	C	.	.	P	Polyproline II helix	trans	-66.3	145.7	180	-23.4	36.4	0	0	0	113.4	V189 V202 H378 G380 P545	V189-P374 HydrophobicContact CG1-CB 3.99Å; V189-P374 HydrophobicContact CG1-CG 3.64Å; V202-P374 HydrophobicContact CG1-CB 3.98Å; V202-P374 HydrophobicContact CG1-CG 4.36Å; V202-P374 HydrophobicContact CG2-CB 4.4Å; P374-H378 HydrophobicContact CB-CB 3.77Å; P374-G380 WeakPolarHBondContact O-CA 3.33Å; P374-P545 WeakPolarHBondContact CD-O 3.04Å; P374-P545 HydrophobicContact CG-CG 3.78Å
375	P	97.8	Very high	97.1	Very high	14 Å²	14	12.3 Å²	12.3	9%	0.091	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-70	172.6	172	32	-35.5	0	0	0	112.2	V362 H378	V362-P375 HydrophobicContact CG1-CB 3.92Å; P375-H378 VanDerWaalsContact O-CB 3.29Å; P375-H378 WeakPolarHBondContact O-CB 3.44Å; P375-H378 PolarHBondContact O-CD2 2.68Å; P375-H378 VanDerWaalsContact O-CD2 3.27Å; P375-H378 PolarHBondContact O-N 3.06Å
376	P	97.1	Very high	97.2	Very high	3 Å²	3	9 Å²	9	2%	0.019	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	141.2	168.1	-27.2	37.4	0	0	0	111.8	H378 P381 L422 P425 I431 M435	P376-H378 VanDerWaalsContact C-N 3.3Å; P376-H378 VanDerWaalsContact CA-N 3.26Å; P376-P381 HydrophobicContact CG-CG 4.05Å; P376-L422 HydrophobicContact CG-CD2 4.07Å; P376-P425 HydrophobicContact CB-CG 4.17Å; P376-I431 HydrophobicContact CB-CG2 3.62Å; P376-I431 HydrophobicContact CG-CG2 3.93Å; P376-M435 WeakPolarHBondContact CD-SD 3.15Å; P376-M435 HydrophobicContact CG-CB 4.18Å; P376-M435 HydrophobicContact CG-CG 4.38Å; P376-M435 HydrophobicContact CG-SD 4.11Å
377	P	95.3	Very high	97.3	Very high	4 Å²	4	9 Å²	9	3%	0.026	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	cis	-81.1	8.2	14.8	34.5	-38.2	0	0	0	115	G423 R538 L540 S541	P377-G423 WeakPolarHBondContact CA-O 3.25Å; P377-R538 HydrophobicContact CG-CB 3.93Å; P377-L540 WeakPolarHBondContact O-CA 3.37Å; P377-L540 WeakPolarHBondContact O-CD1 3.44Å; P377-S541 PolarHBondContact O-N 2.96Å
378	H	96.3	Very high	97.6	Very high	1 Å²	1	6 Å²	6	1%	0.005	4%	0.039	C	C	.	.	B	Isolated β-bridge	trans	-82.7	153.1	173	-49.3	-71.5	0	0	0	112.3	V189 D204 P374 P375 P376 G380 P381 S541	V189-H378 WeakPolarHBondContact CG2-CE1 3.07Å; V189-H378 VanDerWaalsContact CG2-NE2 3.3Å; V189-H378 WeakPolarHBondContact CG2-NE2 3.23Å; D204-H378 VanDerWaalsContact CG-NE2 3.26Å; D204-H378 IonicContact OD1-CE1 2.62Å; D204-H378 IonicContact OD1-NE2 2.94Å; D204-H378 PolarHBondContact OD1-NE2 2.92Å; D204-H378 IonicContact OD2-NE2 3.8Å; D204-H378 PolarHBondContact OD2-NE2 2.78Å; P374-H378 HydrophobicContact CB-CB 3.77Å; P375-H378 VanDerWaalsContact O-CB 3.29Å; P375-H378 WeakPolarHBondContact O-CB 3.44Å; P375-H378 PolarHBondContact O-CD2 2.68Å; P375-H378 VanDerWaalsContact O-CD2 3.27Å; P375-H378 PolarHBondContact O-N 3.06Å; P376-H378 VanDerWaalsContact C-N 3.3Å; P376-H378 VanDerWaalsContact CA-N 3.26Å; H378-G380 PolarHBondContact O-N 2.76Å; H378-G380 VanDerWaalsContact O-N 3.12Å; H378-P381 WeakPolarHBondContact O-CD 3.41Å; H378-S541 WeakPolarHBondContact CA-O 3.32Å; H378-S541 WeakPolarHBondContact ND1-CB 3.49Å; H378-S541 PolarHBondContact ND1-OG 3.38Å; H378-S541 VanDerWaalsContact ND1-OG 3.11Å
379	T	96.9	Very high	97.9	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	S	Bend	trans	-82.6	20.4	-175.7	50	0	0	0	0	114.5	P381 A382 L383 A419 L422 L540 S541 F542	T379-P381 VanDerWaalsContact C-CD 3.49Å; T379-A382 WeakPolarHBondContact O-CB 3.44Å; T379-A382 PolarHBondContact O-N 3.48Å; T379-A382 VanDerWaalsContact O-N 3.09Å; T379-L383 PolarHBondContact O-N 2.88Å; T379-A419 HydrophobicContact CG2-CB 3.77Å; T379-L422 HydrophobicContact CG2-CD1 4.33Å; T379-L540 HydrophobicContact CG2-CD1 3.68Å; T379-L540 HydrophobicContact CG2-CG 4.47Å; T379-S541 WeakPolarHBondContact CG2-O 3.44Å; T379-S541 PolarHBondContact N-O 3.12Å; T379-S541 PolarHBondContact OG1-O 2.74Å; T379-F542 HydrophobicContact CG2-CD1 3.97Å; T379-F542 HydrophobicContact CG2-CE1 3.69Å; T379-F542 HydrophobicContact CG2-CE2 4.35Å; T379-F542 HydrophobicContact CG2-CG 4.42Å; T379-F542 HydrophobicContact CG2-CZ 3.9Å; T379-F542 WeakPolarHBondContact OG1-CD1 3.44Å
380	G	97.9	Very high	97.9	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-55.4	-41.6	178.2	0	0	0	0	0	114.3	S373 P374 H378 A382 L383 I384 L544	S373-G380 WeakPolarHBondContact OG-CA 3.3Å; P374-G380 WeakPolarHBondContact O-CA 3.33Å; H378-G380 PolarHBondContact O-N 2.76Å; H378-G380 VanDerWaalsContact O-N 3.12Å; G380-A382 VanDerWaalsContact C-N 3.28Å; G380-A382 PolarHBondContact O-N 3.18Å; G380-L383 WeakPolarHBondContact O-CB 3.33Å; G380-L383 PolarHBondContact O-N 3.3Å; G380-L383 VanDerWaalsContact O-N 3.16Å; G380-I384 PolarHBondContact O-N 3.26Å; G380-I384 VanDerWaalsContact O-N 3.1Å; G380-L544 VanDerWaalsContact N-CD2 3.32Å
381	P	98.5	Very high	97.9	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-58.9	-36.9	174.9	-25.7	35.2	0	0	0	113.4	V362 P376 H378 T379 I384 S385 M435 M438 L439	V362-P381 HydrophobicContact CG1-CG 4.27Å; V362-P381 HydrophobicContact CG2-CG 4.28Å; P376-P381 HydrophobicContact CG-CG 4.05Å; H378-P381 WeakPolarHBondContact O-CD 3.41Å; T379-P381 VanDerWaalsContact C-CD 3.49Å; P381-I384 PolarHBondContact O-N 3.11Å; P381-S385 WeakPolarHBondContact O-CB 3.37Å; P381-S385 PolarHBondContact O-N 2.97Å; P381-M435 HydrophobicContact CB-CG 4.11Å; P381-M435 HydrophobicContact CG-CB 4.29Å; P381-M435 HydrophobicContact CG-CG 3.68Å; P381-M435 HydrophobicContact CG-SD 4.39Å; P381-M438 HydrophobicContact CB-CB 3.94Å; P381-M438 HydrophobicContact CB-SD 3.86Å; P381-L439 HydrophobicContact CB-CD2 4.47Å
382	A	98.2	Very high	97.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-69	-35.5	177.3	0	0	0	0	0	112.5	T379 G380 S385 A386 A415 A419 M438 L570	T379-A382 WeakPolarHBondContact O-CB 3.44Å; T379-A382 PolarHBondContact O-N 3.48Å; T379-A382 VanDerWaalsContact O-N 3.09Å; G380-A382 VanDerWaalsContact C-N 3.28Å; G380-A382 PolarHBondContact O-N 3.18Å; A382-S385 PolarHBondContact O-N 2.68Å; A382-A386 PolarHBondContact O-N 3.05Å; A382-A415 WeakPolarHBondContact CB-O 3.28Å; A382-A419 HydrophobicContact CB-CB 3.71Å; A382-M438 HydrophobicContact CB-SD 4.34Å; A382-L570 HydrophobicContact CB-CD1 4.01Å
383	L	98.6	Very high	97.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.7	-45.9	170.6	174.4	63.4	0	0	0	110.9	T379 G380 A386 L387 T546 L573 T574 L577	T379-L383 PolarHBondContact O-N 2.88Å; G380-L383 WeakPolarHBondContact O-CB 3.33Å; G380-L383 PolarHBondContact O-N 3.3Å; G380-L383 VanDerWaalsContact O-N 3.16Å; L383-A386 PolarHBondContact O-N 2.81Å; L383-L387 HydrophobicContact CG-CD1 4.5Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 3.27Å; L383-L387 VanDerWaalsContact O-N 3.16Å; L383-T546 HydrophobicContact CD2-CG2 4.15Å; L383-L573 HydrophobicContact CD1-CB 4.06Å; L383-L573 HydrophobicContact CD2-CB 4.47Å; L383-L573 HydrophobicContact CD2-CD1 4.39Å; L383-T574 WeakPolarHBondContact CD1-OG1 3.39Å; L383-L577 HydrophobicContact CD1-CD1 4.3Å; L383-L577 HydrophobicContact CD2-CD1 4.43Å
384	I	98.7	Very high	97	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-64.2	-41.6	177.6	-60.5	-54.6	0	0	0	111.3	V371 G380 P381 A386 L387 N388 L439	V371-I384 HydrophobicContact CB-CD1 3.81Å; V371-I384 HydrophobicContact CG1-CD1 3.69Å; G380-I384 PolarHBondContact O-N 3.26Å; G380-I384 VanDerWaalsContact O-N 3.1Å; P381-I384 PolarHBondContact O-N 3.11Å; I384-A386 PolarHBondContact O-N 3.31Å; I384-L387 PolarHBondContact O-N 3.27Å; I384-N388 PolarHBondContact O-N 3.1Å; I384-L439 HydrophobicContact CB-CD2 3.7Å; I384-L439 HydrophobicContact CG1-CD2 3.98Å; I384-L439 HydrophobicContact CG2-CD2 3.59Å
385	S	98.6	Very high	96.4	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-58.4	-46.2	175.4	-173.7	0	0	0	0	111.9	P381 A382 L387 N388 I389 L418 M438	P381-S385 WeakPolarHBondContact O-CB 3.37Å; P381-S385 PolarHBondContact O-N 2.97Å; A382-S385 PolarHBondContact O-N 2.68Å; S385-L387 VanDerWaalsContact C-N 3.31Å; S385-L387 PolarHBondContact O-N 2.86Å; S385-N388 PolarHBondContact O-N 3.4Å; S385-I389 WeakPolarHBondContact O-CG1 3.4Å; S385-I389 PolarHBondContact O-N 2.95Å; S385-L418 WeakPolarHBondContact OG-CD1 2.96Å; S385-M438 WeakPolarHBondContact CA-O 3.4Å; S385-M438 WeakPolarHBondContact CB-O 3.43Å
386	A	98.6	Very high	95.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.6	-44	176.4	0	0	0	0	0	112.1	A382 L383 I384 I389 L390 T411 A415 T574	A382-A386 PolarHBondContact O-N 3.05Å; L383-A386 PolarHBondContact O-N 2.81Å; I384-A386 PolarHBondContact O-N 3.31Å; A386-I389 PolarHBondContact O-N 3.49Å; A386-L390 WeakPolarHBondContact O-CB 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.3Å; A386-L390 PolarHBondContact O-N 2.99Å; A386-T411 HydrophobicContact CB-CG2 4.11Å; A386-T411 WeakPolarHBondContact O-CG2 3.46Å; A386-A415 HydrophobicContact CB-CB 3.74Å; A386-T574 HydrophobicContact CB-CG2 3.95Å
387	L	98.6	Very high	94.4	Very high	2 Å²	2	20 Å²	20	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-66.3	-43.5	177.4	-65	173.1	0	0	0	111.8	Y366 V371 L383 I384 S385 I389 L390 E391 T574 L577	Y366-L387 HydrophobicContact CD1-CD2 4.45Å; Y366-L387 HydrophobicContact CD2-CB 3.81Å; Y366-L387 WeakPolarHBondContact CD2-O 3.43Å; Y366-L387 HydrophobicContact CE1-CD2 4.19Å; Y366-L387 HydrophobicContact CE2-CB 4.08Å; Y366-L387 HydrophobicContact CE2-CD2 4.42Å; Y366-L387 WeakPolarHBondContact CE2-O 3.27Å; Y366-L387 HydrophobicContact CG-CB 4.16Å; V371-L387 HydrophobicContact CB-CD1 4.42Å; V371-L387 HydrophobicContact CG1-CD1 4.06Å; V371-L387 HydrophobicContact CG2-CD1 4.16Å; L383-L387 HydrophobicContact CG-CD1 4.5Å; L383-L387 WeakPolarHBondContact O-CG 3.45Å; L383-L387 PolarHBondContact O-N 3.27Å; L383-L387 VanDerWaalsContact O-N 3.16Å; I384-L387 PolarHBondContact O-N 3.27Å; S385-L387 VanDerWaalsContact C-N 3.31Å; S385-L387 PolarHBondContact O-N 2.86Å; L387-I389 VanDerWaalsContact C-N 3.34Å; L387-I389 PolarHBondContact O-N 2.97Å; L387-L390 PolarHBondContact O-N 3.38Å; L387-E391 WeakPolarHBondContact O-CB 3.4Å; L387-E391 PolarHBondContact O-N 2.79Å; L387-T574 HydrophobicContact CD2-CG2 4.45Å; L387-L577 HydrophobicContact CD1-CD1 3.83Å; L387-L577 HydrophobicContact CD2-CB 3.96Å; L387-L577 HydrophobicContact CD2-CD1 4.44Å
388	N	98.3	Very high	93.6	Very high	12 Å²	12	27.3 Å²	27.3	6%	0.064	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-41.9	177.4	-75.3	-22.1	0	0	0	111.9	I384 S385 E391 L439 A444	I384-N388 PolarHBondContact O-N 3.1Å; S385-N388 PolarHBondContact O-N 3.4Å; N388-E391 PolarHBondContact O-N 2.9Å; N388-L439 PolarHBondContact ND2-O 3.45Å; N388-A444 HydrophobicContact CB-CB 3.45Å; N388-A444 VanDerWaalsContact CB-CB 3.45Å
389	I	98.4	Very high	93.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-49.3	175.6	-68.1	165.9	0	0	0	109.9	S385 A386 L387 E391 G392 F393 T411 I414 A444 L447 R448 I451	S385-I389 WeakPolarHBondContact O-CG1 3.4Å; S385-I389 PolarHBondContact O-N 2.95Å; A386-I389 PolarHBondContact O-N 3.49Å; L387-I389 VanDerWaalsContact C-N 3.34Å; L387-I389 PolarHBondContact O-N 2.97Å; I389-E391 VanDerWaalsContact C-N 3.33Å; I389-E391 PolarHBondContact O-N 2.91Å; I389-G392 PolarHBondContact O-N 2.66Å; I389-F393 HydrophobicContact CG2-CE2 4.24Å; I389-T411 HydrophobicContact CB-CG2 3.74Å; I389-T411 HydrophobicContact CD1-CG2 4.11Å; I389-T411 HydrophobicContact CG2-CG2 3.62Å; I389-T411 WeakPolarHBondContact CG2-OG1 3.43Å; I389-I414 HydrophobicContact CD1-CB 4.47Å; I389-I414 HydrophobicContact CD1-CG2 3.96Å; I389-A444 HydrophobicContact CG1-CB 3.9Å; I389-L447 HydrophobicContact CD1-CB 4.01Å; I389-L447 HydrophobicContact CD1-CD1 4.14Å; I389-L447 HydrophobicContact CG1-CB 4.31Å; I389-R448 HydrophobicContact CG2-CB 4.07Å; I389-R448 HydrophobicContact CG2-CG 4.45Å; I389-I451 HydrophobicContact CG2-CD1 3.87Å
390	L	97.9	Very high	92.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-32.6	-178.9	-74.5	170.3	0	0	0	113.6	A386 L387 G392 F393 V408 T411 T574 L578	A386-L390 WeakPolarHBondContact O-CB 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.3Å; A386-L390 PolarHBondContact O-N 2.99Å; L387-L390 PolarHBondContact O-N 3.38Å; L390-G392 PolarHBondContact O-N 2.9Å; L390-F393 HydrophobicContact CD2-CD2 4.45Å; L390-F393 PolarHBondContact O-N 2.86Å; L390-V408 HydrophobicContact CD1-CG2 4.32Å; L390-V408 HydrophobicContact CD2-CG2 3.93Å; L390-T411 HydrophobicContact CD1-CG2 4.44Å; L390-T411 HydrophobicContact CD2-CG2 4.48Å; L390-T411 HydrophobicContact CG-CG2 3.97Å; L390-T574 HydrophobicContact CD1-CG2 3.62Å; L390-L578 HydrophobicContact CD1-CD2 4.42Å
391	E	96.1	Very high	92.6	Very high	35 Å²	35	35.4 Å²	35.4	16%	0.164	20%	0.203	C	C	.	.	H	α-helix	trans	-57.5	-38.6	176.1	-164.4	173.2	-139.8	0	0	110.9	Y366 R367 L387 N388 I389 F393 N394 K441	Y366-E391 HydrophobicContact CD2-CB 3.85Å; Y366-E391 HydrophobicContact CD2-CG 4.12Å; Y366-E391 HydrophobicContact CE2-CB 3.67Å; Y366-E391 HydrophobicContact CE2-CG 4.14Å; R367-E391 PolarHBondContact N-OE1 3.4Å; L387-E391 WeakPolarHBondContact O-CB 3.4Å; L387-E391 PolarHBondContact O-N 2.79Å; N388-E391 PolarHBondContact O-N 2.9Å; I389-E391 VanDerWaalsContact C-N 3.33Å; I389-E391 PolarHBondContact O-N 2.91Å; E391-F393 VanDerWaalsContact C-N 3.26Å; E391-F393 PolarHBondContact O-N 2.76Å; E391-N394 PolarHBondContact O-N 2.91Å; E391-N394 VanDerWaalsContact O-N 3.13Å; E391-K441 IonicContact OE1-NZ 3.27Å; E391-K441 IonicContact OE2-NZ 3.11Å; E391-K441 PolarHBondContact OE2-NZ 2.86Å
392	G	95.3	Very high	92.4	Very high	22 Å²	22	37.3 Å²	37.3	23%	0.227	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.3	-178.2	0	0	0	0	0	115.3	I389 L390 N394 R448	I389-G392 PolarHBondContact O-N 2.66Å; L390-G392 PolarHBondContact O-N 2.9Å; G392-N394 PolarHBondContact O-N 3.2Å; G392-R448 PolarHBondContact O-NH1 3.19Å
393	F	94.3	Very high	92.3	Very high	34 Å²	34	38.6 Å²	38.6	15%	0.149	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-8.9	175.4	-74.2	-75.8	0	0	0	113	I389 L390 E391 L395 W407 R448 I451	I389-F393 HydrophobicContact CG2-CE2 4.24Å; L390-F393 HydrophobicContact CD2-CD2 4.45Å; L390-F393 PolarHBondContact O-N 2.86Å; E391-F393 VanDerWaalsContact C-N 3.26Å; E391-F393 PolarHBondContact O-N 2.76Å; F393-L395 HydrophobicContact CB-CG 4.27Å; F393-L395 PolarHBondContact O-N 3.14Å; F393-W407 HydrophobicContact CB-CE3 3.85Å; F393-W407 HydrophobicContact CB-CZ3 3.95Å; F393-W407 AromaticContact CD1-CD2 3.56Å; F393-W407 HydrophobicContact CD1-CD2 3.56Å; F393-W407 AromaticContact CD1-CE2 3.65Å; F393-W407 AromaticContact CD1-CE3 3.74Å; F393-W407 HydrophobicContact CD1-CE3 3.74Å; F393-W407 HydrophobicContact CD1-CG 4.01Å; F393-W407 HydrophobicContact CD1-CH2 4.18Å; F393-W407 AromaticContact CD1-CZ2 3.99Å; F393-W407 HydrophobicContact CD1-CZ2 3.99Å; F393-W407 HydrophobicContact CD1-CZ3 4.04Å; F393-W407 HydrophobicContact CD2-CB 4.35Å; F393-W407 HydrophobicContact CD2-CG 4.47Å; F393-W407 AromaticContact CE1-CD1 3.68Å; F393-W407 AromaticContact CE1-CD2 3.81Å; F393-W407 HydrophobicContact CE1-CD2 3.81Å; F393-W407 AromaticContact CE1-CE2 3.73Å; F393-W407 HydrophobicContact CE1-CE3 4.44Å; F393-W407 AromaticContact CE1-CG 3.82Å; F393-W407 HydrophobicContact CE1-CG 3.82Å; F393-W407 HydrophobicContact CE1-CZ2 4.36Å; F393-W407 AromaticContact CE1-NE1 3.6Å; F393-W407 HydrophobicContact CE2-CB 4.15Å; F393-W407 HydrophobicContact CE2-CG 4.28Å; F393-W407 AromaticContact CG-CD2 3.97Å; F393-W407 HydrophobicContact CG-CD2 3.97Å; F393-W407 AromaticContact CG-CE3 3.81Å; F393-W407 HydrophobicContact CG-CE3 3.81Å; F393-W407 HydrophobicContact CG-CG 4.33Å; F393-W407 HydrophobicContact CG-CZ3 4.24Å; F393-W407 HydrophobicContact CZ-CB 4.25Å; F393-W407 AromaticContact CZ-CD1 3.88Å; F393-W407 HydrophobicContact CZ-CD2 4.38Å; F393-W407 AromaticContact CZ-CG 3.96Å; F393-W407 HydrophobicContact CZ-CG 3.96Å; F393-R448 HydrophobicContact CD2-CG 4.27Å; F393-R448 HydrophobicContact CE1-CG 4.2Å; F393-R448 HydrophobicContact CE2-CG 3.71Å; F393-R448 HydrophobicContact CZ-CG 3.66Å; F393-I451 HydrophobicContact CE2-CD1 3.94Å; F393-I451 HydrophobicContact CZ-CB 4.06Å; F393-I451 HydrophobicContact CZ-CD1 3.87Å; F393-I451 HydrophobicContact CZ-CG2 3.95Å
394	N	86.9	Confident	92.1	Very high	102 Å²	102	39.5 Å²	39.5	55%	0.545	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	48.2	-177.8	-74.5	-43.5	0	0	0	112.3	E391 G392 T396	E391-N394 PolarHBondContact O-N 2.91Å; E391-N394 VanDerWaalsContact O-N 3.13Å; G392-N394 PolarHBondContact O-N 3.2Å; N394-T396 WeakPolarHBondContact O-CG2 3.15Å; N394-T396 PolarHBondContact O-N 3.34Å
395	L	87	Confident	92	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	23%	0.228	C	C	.	.			trans	-52.4	112.3	177.3	-75.6	167.1	0	0	0	110.1	R367 F393 V399 A404 W407 L578 T582	R367-L395 PolarHBondContact NH2-O 3.07Å; F393-L395 HydrophobicContact CB-CG 4.27Å; F393-L395 PolarHBondContact O-N 3.14Å; L395-V399 HydrophobicContact CD2-CB 4.18Å; L395-V399 HydrophobicContact CD2-CG1 3.88Å; L395-V399 HydrophobicContact CD2-CG2 4.37Å; L395-A404 HydrophobicContact CD2-CB 3.67Å; L395-W407 HydrophobicContact CD2-CE3 3.67Å; L395-W407 HydrophobicContact CD2-CZ3 3.62Å; L395-W407 HydrophobicContact CG-CE3 4.39Å; L395-W407 HydrophobicContact CG-CZ3 4.44Å; L395-L578 HydrophobicContact CD1-CD1 3.56Å; L395-L578 HydrophobicContact CD1-CD2 4.07Å; L395-L578 HydrophobicContact CD1-CG 4.39Å; L395-T582 HydrophobicContact CB-CG2 3.76Å; L395-T582 WeakPolarHBondContact O-CG2 3.29Å
396	T	80.1	Confident	92	Very high	72 Å²	72	39.9 Å²	39.9	44%	0.442	23%	0.228	S	C	.	.			trans	-118.1	172.1	175	55.7	0	0	0	0	109.1	N394 L398 V399	N394-T396 WeakPolarHBondContact O-CG2 3.15Å; N394-T396 PolarHBondContact O-N 3.34Å; T396-L398 PolarHBondContact O-N 3.33Å; T396-V399 PolarHBondContact O-N 3.12Å; T396-V399 VanDerWaalsContact O-N 3.1Å
397	S	72.4	Confident	91.9	Very high	126 Å²	126	41 Å²	41	88%	0.881	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-8.4	174.7	58.7	0	0	0	0	114.5
398	L	77.6	Confident	91.9	Very high	159 Å²	159	41.1 Å²	41.1	83%	0.832	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-20.4	177	-61.6	175.1	0	0	0	112.9	T396	T396-L398 PolarHBondContact O-N 3.33Å
399	V	87.6	Confident	91.9	Very high	40 Å²	40	40.6 Å²	40.6	24%	0.242	23%	0.23	C	C	.	.	S	Bend	trans	-77.4	131.1	176.5	-178.4	0	0	0	0	108.4	L395 T396 Q403 A404 W407	L395-V399 HydrophobicContact CD2-CB 4.18Å; L395-V399 HydrophobicContact CD2-CG1 3.88Å; L395-V399 HydrophobicContact CD2-CG2 4.37Å; T396-V399 PolarHBondContact O-N 3.12Å; T396-V399 VanDerWaalsContact O-N 3.1Å; V399-Q403 HydrophobicContact CG1-CB 4.16Å; V399-Q403 HydrophobicContact CG1-CG 4.36Å; V399-A404 HydrophobicContact CG1-CB 4.48Å; V399-W407 HydrophobicContact CG1-CE3 4.4Å; V399-W407 HydrophobicContact CG1-CH2 3.97Å; V399-W407 HydrophobicContact CG1-CZ3 3.59Å; V399-W407 HydrophobicContact CG2-CH2 4.46Å; V399-W407 HydrophobicContact CG2-CZ3 4.24Å
400	S	91.3	Very high	91.9	Very high	53 Å²	53	40.9 Å²	40.9	37%	0.371	23%	0.231	S	C	.	.			trans	-62.7	148.6	175.8	98.8	0	0	0	0	110.2	E402 Q403 A404	S400-E402 VanDerWaalsContact C-N 3.25Å; S400-E402 WeakPolarHBondContact CB-OE2 3.3Å; S400-E402 PolarHBondContact O-N 2.92Å; S400-E402 PolarHBondContact OG-OE2 3.18Å; S400-Q403 PolarHBondContact O-N 2.84Å; S400-Q403 PolarHBondContact OG-N 3.03Å; S400-A404 PolarHBondContact O-N 3.17Å; S400-A404 VanDerWaalsContact O-N 3.11Å
401	R	91.1	Very high	91.9	Very high	77 Å²	77	40.9 Å²	40.9	29%	0.291	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-39	-177.9	172.7	168.7	162.7	74.2	4.9	111.2	A404 L405 R593 E615	R401-A404 WeakPolarHBondContact O-CB 3.31Å; R401-A404 PolarHBondContact O-N 3.25Å; R401-L405 HydrophobicContact CG-CD1 4.25Å; R401-L405 HydrophobicContact CG-CG 4.47Å; R401-L405 WeakPolarHBondContact O-CG 3.01Å; R401-L405 PolarHBondContact O-N 3.4Å; R401-R593 VanDerWaalsContact NH1-NE 3.18Å; R401-E615 IonicContact CZ-OE1 3.54Å; R401-E615 IonicContact NE-OE1 2.72Å; R401-E615 PolarHBondContact NE-OE1 2.96Å; R401-E615 IonicContact NH2-OE1 3.22Å; R401-E615 PolarHBondContact NH2-OE1 3.35Å
402	E	94.9	Very high	92	Very high	40 Å²	40	39.2 Å²	39.2	19%	0.187	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-41.5	-177.9	-46.5	70.4	-150.7	0	0	110.6	S400 A404 L405 H406 E615 F618	S400-E402 VanDerWaalsContact C-N 3.25Å; S400-E402 WeakPolarHBondContact CB-OE2 3.3Å; S400-E402 PolarHBondContact O-N 2.92Å; S400-E402 PolarHBondContact OG-OE2 3.18Å; E402-A404 VanDerWaalsContact C-N 3.34Å; E402-A404 PolarHBondContact O-N 2.88Å; E402-L405 WeakPolarHBondContact O-CB 3.13Å; E402-L405 PolarHBondContact O-N 2.86Å; E402-H406 PolarHBondContact O-N 2.82Å; E402-E615 HydrophobicContact CG-CG 4.4Å; E402-F618 HydrophobicContact CB-CB 4Å; E402-F618 HydrophobicContact CB-CD1 3.38Å; E402-F618 HydrophobicContact CB-CD2 3.58Å; E402-F618 HydrophobicContact CB-CE1 3.53Å; E402-F618 HydrophobicContact CB-CE2 3.71Å; E402-F618 HydrophobicContact CB-CG 3.39Å; E402-F618 HydrophobicContact CB-CZ 3.65Å; E402-F618 HydrophobicContact CG-CB 4.28Å; E402-F618 HydrophobicContact CG-CD2 4.17Å; E402-F618 HydrophobicContact CG-CG 4.1Å; E402-F618 WeakPolarHBondContact O-CE1 3.24Å
403	Q	95.8	Very high	92	Very high	27 Å²	27	39.1 Å²	39.1	13%	0.126	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-40.5	174.1	-172.2	63.1	47.5	0	0	111.4	V399 S400 L405 H406 W407 D453 F618	V399-Q403 HydrophobicContact CG1-CB 4.16Å; V399-Q403 HydrophobicContact CG1-CG 4.36Å; S400-Q403 PolarHBondContact O-N 2.84Å; S400-Q403 PolarHBondContact OG-N 3.03Å; Q403-L405 VanDerWaalsContact C-N 3.33Å; Q403-L405 PolarHBondContact O-N 2.83Å; Q403-H406 PolarHBondContact O-N 2.87Å; Q403-W407 HydrophobicContact CG-CD2 4.23Å; Q403-W407 HydrophobicContact CG-CH2 3.94Å; Q403-W407 HydrophobicContact CG-CZ2 3.63Å; Q403-W407 HydrophobicContact CG-CZ3 4.39Å; Q403-W407 VanDerWaalsContact NE2-NE1 3.1Å; Q403-W407 PolarHBondContact O-N 3.05Å; Q403-W407 VanDerWaalsContact O-N 3.09Å; Q403-D453 PolarHBondContact NE2-O 2.64Å; Q403-D453 PolarHBondContact OE1-O 3.14Å; Q403-F618 HydrophobicContact CB-CZ 4.17Å
404	A	95.6	Very high	92.1	Very high	19 Å²	19	38 Å²	38	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-40.8	174.7	0	0	0	0	0	111.7	L395 V399 S400 R401 E402 H406 W407 V408	L395-A404 HydrophobicContact CD2-CB 3.67Å; V399-A404 HydrophobicContact CG1-CB 4.48Å; S400-A404 PolarHBondContact O-N 3.17Å; S400-A404 VanDerWaalsContact O-N 3.11Å; R401-A404 WeakPolarHBondContact O-CB 3.31Å; R401-A404 PolarHBondContact O-N 3.25Å; E402-A404 VanDerWaalsContact C-N 3.34Å; E402-A404 PolarHBondContact O-N 2.88Å; A404-H406 VanDerWaalsContact C-N 3.34Å; A404-H406 PolarHBondContact O-N 3.45Å; A404-W407 PolarHBondContact O-N 3.43Å; A404-V408 WeakPolarHBondContact O-CB 3.35Å; A404-V408 WeakPolarHBondContact O-CG2 3.25Å; A404-V408 PolarHBondContact O-N 2.94Å
405	L	96.4	Very high	92.6	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-41.5	175.6	-69.3	170.3	0	0	0	111.6	R401 E402 Q403 V408 A409 L596 F611 E615 L619	R401-L405 HydrophobicContact CG-CD1 4.25Å; R401-L405 HydrophobicContact CG-CG 4.47Å; R401-L405 WeakPolarHBondContact O-CG 3.01Å; R401-L405 PolarHBondContact O-N 3.4Å; E402-L405 WeakPolarHBondContact O-CB 3.13Å; E402-L405 PolarHBondContact O-N 2.86Å; Q403-L405 VanDerWaalsContact C-N 3.33Å; Q403-L405 PolarHBondContact O-N 2.83Å; L405-V408 PolarHBondContact O-N 2.86Å; L405-A409 WeakPolarHBondContact O-CB 3.5Å; L405-A409 PolarHBondContact O-N 3.32Å; L405-L596 HydrophobicContact CB-CD2 4Å; L405-L596 HydrophobicContact CD2-CD2 3.84Å; L405-L596 WeakPolarHBondContact O-CD2 3.36Å; L405-F611 HydrophobicContact CD1-CD1 4.47Å; L405-F611 HydrophobicContact CD1-CE1 3.84Å; L405-F611 HydrophobicContact CD2-CE1 4.02Å; L405-F611 HydrophobicContact CD2-CZ 4.02Å; L405-F611 HydrophobicContact CG-CE1 4.5Å; L405-E615 HydrophobicContact CD1-CB 4.22Å; L405-E615 HydrophobicContact CD1-CG 3.92Å; L405-L619 HydrophobicContact CB-CD2 4.42Å
406	H	97.6	Very high	93	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-48.7	174.9	169.3	78	0	0	0	111.9	E402 Q403 A404 V408 A409 E410 N452 F618 L619 H624	E402-H406 PolarHBondContact O-N 2.82Å; Q403-H406 PolarHBondContact O-N 2.87Å; A404-H406 VanDerWaalsContact C-N 3.34Å; A404-H406 PolarHBondContact O-N 3.45Å; H406-V408 VanDerWaalsContact C-N 3.33Å; H406-V408 PolarHBondContact O-N 3.14Å; H406-A409 PolarHBondContact O-N 2.72Å; H406-E410 PolarHBondContact O-N 3.07Å; H406-N452 PolarHBondContact NE2-O 3.48Å; H406-F618 HydrophobicContact CB-CE1 4.31Å; H406-L619 HydrophobicContact CB-CD2 4.15Å; H406-H624 AromaticContact CE1-NE2 3.82Å; H406-H624 AromaticContact ND1-CD2 3.8Å; H406-H624 AromaticContact ND1-NE2 3.13Å; H406-H624 PolarHBondContact ND1-NE2 2.95Å; H406-H624 VanDerWaalsContact ND1-NE2 3.13Å
407	W	97.8	Very high	93.7	Very high	25 Å²	25	29.6 Å²	29.6	10%	0.095	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-36.2	177.5	-65.4	-32	0	0	0	113.1	F393 L395 V399 Q403 A404 T411 D453	F393-W407 HydrophobicContact CB-CE3 3.85Å; F393-W407 HydrophobicContact CB-CZ3 3.95Å; F393-W407 AromaticContact CD1-CD2 3.56Å; F393-W407 HydrophobicContact CD1-CD2 3.56Å; F393-W407 AromaticContact CD1-CE2 3.65Å; F393-W407 AromaticContact CD1-CE3 3.74Å; F393-W407 HydrophobicContact CD1-CE3 3.74Å; F393-W407 HydrophobicContact CD1-CG 4.01Å; F393-W407 HydrophobicContact CD1-CH2 4.18Å; F393-W407 AromaticContact CD1-CZ2 3.99Å; F393-W407 HydrophobicContact CD1-CZ2 3.99Å; F393-W407 HydrophobicContact CD1-CZ3 4.04Å; F393-W407 HydrophobicContact CD2-CB 4.35Å; F393-W407 HydrophobicContact CD2-CG 4.47Å; F393-W407 AromaticContact CE1-CD1 3.68Å; F393-W407 AromaticContact CE1-CD2 3.81Å; F393-W407 HydrophobicContact CE1-CD2 3.81Å; F393-W407 AromaticContact CE1-CE2 3.73Å; F393-W407 HydrophobicContact CE1-CE3 4.44Å; F393-W407 AromaticContact CE1-CG 3.82Å; F393-W407 HydrophobicContact CE1-CG 3.82Å; F393-W407 HydrophobicContact CE1-CZ2 4.36Å; F393-W407 AromaticContact CE1-NE1 3.6Å; F393-W407 HydrophobicContact CE2-CB 4.15Å; F393-W407 HydrophobicContact CE2-CG 4.28Å; F393-W407 AromaticContact CG-CD2 3.97Å; F393-W407 HydrophobicContact CG-CD2 3.97Å; F393-W407 AromaticContact CG-CE3 3.81Å; F393-W407 HydrophobicContact CG-CE3 3.81Å; F393-W407 HydrophobicContact CG-CG 4.33Å; F393-W407 HydrophobicContact CG-CZ3 4.24Å; F393-W407 HydrophobicContact CZ-CB 4.25Å; F393-W407 AromaticContact CZ-CD1 3.88Å; F393-W407 HydrophobicContact CZ-CD2 4.38Å; F393-W407 AromaticContact CZ-CG 3.96Å; F393-W407 HydrophobicContact CZ-CG 3.96Å; L395-W407 HydrophobicContact CD2-CE3 3.67Å; L395-W407 HydrophobicContact CD2-CZ3 3.62Å; L395-W407 HydrophobicContact CG-CE3 4.39Å; L395-W407 HydrophobicContact CG-CZ3 4.44Å; V399-W407 HydrophobicContact CG1-CE3 4.4Å; V399-W407 HydrophobicContact CG1-CH2 3.97Å; V399-W407 HydrophobicContact CG1-CZ3 3.59Å; V399-W407 HydrophobicContact CG2-CH2 4.46Å; V399-W407 HydrophobicContact CG2-CZ3 4.24Å; Q403-W407 HydrophobicContact CG-CD2 4.23Å; Q403-W407 HydrophobicContact CG-CH2 3.94Å; Q403-W407 HydrophobicContact CG-CZ2 3.63Å; Q403-W407 HydrophobicContact CG-CZ3 4.39Å; Q403-W407 VanDerWaalsContact NE2-NE1 3.1Å; Q403-W407 PolarHBondContact O-N 3.05Å; Q403-W407 VanDerWaalsContact O-N 3.09Å; A404-W407 PolarHBondContact O-N 3.43Å; W407-T411 VanDerWaalsContact O-CB 3.27Å; W407-T411 WeakPolarHBondContact O-CB 3.35Å; W407-T411 PolarHBondContact O-N 2.94Å; W407-T411 PolarHBondContact O-OG1 3.06Å; W407-D453 PolarHBondContact NE1-OD1 3.27Å
408	V	97.9	Very high	94.8	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.024	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-44.2	174	172.4	0	0	0	0	110.5	L390 A404 L405 H406 T411 L412 Q575 L578 L596	L390-V408 HydrophobicContact CD1-CG2 4.32Å; L390-V408 HydrophobicContact CD2-CG2 3.93Å; A404-V408 WeakPolarHBondContact O-CB 3.35Å; A404-V408 WeakPolarHBondContact O-CG2 3.25Å; A404-V408 PolarHBondContact O-N 2.94Å; L405-V408 PolarHBondContact O-N 2.86Å; H406-V408 VanDerWaalsContact C-N 3.33Å; H406-V408 PolarHBondContact O-N 3.14Å; V408-T411 PolarHBondContact O-N 3.11Å; V408-L412 HydrophobicContact CG1-CD1 3.78Å; V408-L412 HydrophobicContact CG1-CG 4.28Å; V408-L412 WeakPolarHBondContact O-CB 3.25Å; V408-L412 VanDerWaalsContact O-CG 3.25Å; V408-L412 WeakPolarHBondContact O-CG 3.43Å; V408-L412 PolarHBondContact O-N 3.24Å; V408-Q575 HydrophobicContact CG1-CG 3.75Å; V408-L578 HydrophobicContact CG2-CD2 3.58Å; V408-L596 HydrophobicContact CG1-CD1 3.9Å; V408-L596 HydrophobicContact CG1-CG 4.45Å
409	A	97.8	Very high	95.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.8	-49	177.5	0	0	0	0	0	111.7	L405 H406 T411 L412 K413 L596 L605	L405-A409 WeakPolarHBondContact O-CB 3.5Å; L405-A409 PolarHBondContact O-N 3.32Å; H406-A409 PolarHBondContact O-N 2.72Å; A409-T411 PolarHBondContact O-N 2.62Å; A409-L412 PolarHBondContact O-N 3.19Å; A409-K413 WeakPolarHBondContact O-CG 3.41Å; A409-K413 PolarHBondContact O-N 2.92Å; A409-L596 HydrophobicContact CB-CD1 4.07Å; A409-L596 HydrophobicContact CB-CD2 4.27Å; A409-L605 HydrophobicContact CB-CD1 3.89Å; A409-L605 HydrophobicContact CB-CD2 3.96Å
410	E	97.9	Very high	95.8	Very high	8 Å²	8	15.1 Å²	15.1	4%	0.037	8%	0.077	C	C	.	.	H	α-helix	trans	-66.1	-38.7	179	-66	-61.1	106.3	0	0	112.4	H406 L412 K413 I414 I451 A457 H624	H406-E410 PolarHBondContact O-N 3.07Å; E410-L412 PolarHBondContact O-N 3.34Å; E410-K413 WeakPolarHBondContact O-CB 3.21Å; E410-K413 PolarHBondContact O-N 3.04Å; E410-K413 WeakPolarHBondContact OE1-CD 3.33Å; E410-K413 WeakPolarHBondContact OE1-CE 3.49Å; E410-K413 IonicContact OE1-NZ 3.85Å; E410-K413 PolarHBondContact OE1-NZ 3.27Å; E410-I414 PolarHBondContact O-N 3.05Å; E410-I451 HydrophobicContact CB-CD1 4.23Å; E410-I451 HydrophobicContact CB-CG1 4.12Å; E410-I451 HydrophobicContact CB-CG2 3.74Å; E410-I451 HydrophobicContact CG-CG2 4.13Å; E410-A457 VanDerWaalsContact OE2-CB 3.24Å; E410-A457 WeakPolarHBondContact OE2-CB 3.08Å; E410-A457 PolarHBondContact OE2-N 2.87Å; E410-H624 IonicContact OE1-CE1 2.64Å; E410-H624 PolarHBondContact OE1-CE1 3.03Å; E410-H624 IonicContact OE1-ND1 3.83Å; E410-H624 IonicContact OE1-NE2 2.72Å
411	T	98.3	Very high	95.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.2	-42.2	175.6	-58.9	0	0	0	0	111.6	A386 I389 L390 W407 V408 A409 K413 I414 A415	A386-T411 HydrophobicContact CB-CG2 4.11Å; A386-T411 WeakPolarHBondContact O-CG2 3.46Å; I389-T411 HydrophobicContact CB-CG2 3.74Å; I389-T411 HydrophobicContact CD1-CG2 4.11Å; I389-T411 HydrophobicContact CG2-CG2 3.62Å; I389-T411 WeakPolarHBondContact CG2-OG1 3.43Å; L390-T411 HydrophobicContact CD1-CG2 4.44Å; L390-T411 HydrophobicContact CD2-CG2 4.48Å; L390-T411 HydrophobicContact CG-CG2 3.97Å; W407-T411 VanDerWaalsContact O-CB 3.27Å; W407-T411 WeakPolarHBondContact O-CB 3.35Å; W407-T411 PolarHBondContact O-N 2.94Å; W407-T411 PolarHBondContact O-OG1 3.06Å; V408-T411 PolarHBondContact O-N 3.11Å; A409-T411 PolarHBondContact O-N 2.62Å; T411-K413 VanDerWaalsContact C-N 3.31Å; T411-K413 PolarHBondContact O-N 3.07Å; T411-I414 PolarHBondContact O-N 3.3Å; T411-A415 WeakPolarHBondContact O-CB 3.28Å; T411-A415 PolarHBondContact O-N 3.01Å
412	L	97.8	Very high	95.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.1	-32.8	178.4	-73	173	0	0	0	112.1	V408 A409 E410 I414 A415 L416 L570 T574 L596 P598	V408-L412 HydrophobicContact CG1-CD1 3.78Å; V408-L412 HydrophobicContact CG1-CG 4.28Å; V408-L412 WeakPolarHBondContact O-CB 3.25Å; V408-L412 VanDerWaalsContact O-CG 3.25Å; V408-L412 WeakPolarHBondContact O-CG 3.43Å; V408-L412 PolarHBondContact O-N 3.24Å; A409-L412 PolarHBondContact O-N 3.19Å; E410-L412 PolarHBondContact O-N 3.34Å; L412-I414 VanDerWaalsContact C-N 3.31Å; L412-I414 PolarHBondContact O-N 3.22Å; L412-A415 PolarHBondContact O-N 2.93Å; L412-L416 VanDerWaalsContact O-CB 3.31Å; L412-L416 WeakPolarHBondContact O-CB 3.42Å; L412-L416 VanDerWaalsContact O-CG 3.26Å; L412-L416 WeakPolarHBondContact O-CG 3.5Å; L412-L416 PolarHBondContact O-N 3.42Å; L412-L570 HydrophobicContact CD2-CD2 4.04Å; L412-T574 HydrophobicContact CD2-CG2 4.1Å; L412-L596 HydrophobicContact CD1-CD1 3.68Å; L412-P598 HydrophobicContact CB-CG 3.63Å
413	K	96.3	Very high	95.9	Very high	20 Å²	20	10.1 Å²	10.1	9%	0.087	5%	0.048	C	C	.	.	H	α-helix	trans	-58.1	-46.1	171.5	-71.5	175.6	-177.1	172.1	0	111.1	A409 E410 T411 A417 P598 L600 H624	A409-K413 WeakPolarHBondContact O-CG 3.41Å; A409-K413 PolarHBondContact O-N 2.92Å; E410-K413 WeakPolarHBondContact O-CB 3.21Å; E410-K413 PolarHBondContact O-N 3.04Å; E410-K413 WeakPolarHBondContact OE1-CD 3.33Å; E410-K413 WeakPolarHBondContact OE1-CE 3.49Å; E410-K413 IonicContact OE1-NZ 3.85Å; E410-K413 PolarHBondContact OE1-NZ 3.27Å; T411-K413 VanDerWaalsContact C-N 3.31Å; T411-K413 PolarHBondContact O-N 3.07Å; K413-A417 WeakPolarHBondContact O-CB 3.25Å; K413-A417 PolarHBondContact O-N 3.14Å; K413-A417 VanDerWaalsContact O-N 3.09Å; K413-P598 HydrophobicContact CG-CB 3.53Å; K413-P598 HydrophobicContact CG-CG 3.81Å; K413-L600 HydrophobicContact CB-CD2 3.94Å; K413-L600 HydrophobicContact CG-CD2 3.86Å; K413-H624 PolarHBondContact NZ-ND1 3.11Å
414	I	97.1	Very high	95.9	Very high	11 Å²	11	9 Å²	9	6%	0.056	4%	0.043	C	C	.	.	H	α-helix	trans	-64.9	-49.6	177.9	-63.9	170.3	0	0	0	110.7	I389 E410 T411 L412 L416 A417 L418 L447 I451 L461	I389-I414 HydrophobicContact CD1-CB 4.47Å; I389-I414 HydrophobicContact CD1-CG2 3.96Å; E410-I414 PolarHBondContact O-N 3.05Å; T411-I414 PolarHBondContact O-N 3.3Å; L412-I414 VanDerWaalsContact C-N 3.31Å; L412-I414 PolarHBondContact O-N 3.22Å; I414-L416 PolarHBondContact O-N 2.97Å; I414-A417 PolarHBondContact O-N 3.33Å; I414-L418 HydrophobicContact CG2-CD1 4.01Å; I414-L418 HydrophobicContact CG2-CG 4.49Å; I414-L418 WeakPolarHBondContact O-CG 3.43Å; I414-L418 PolarHBondContact O-N 3.04Å; I414-L447 HydrophobicContact CD1-CB 4.46Å; I414-L447 HydrophobicContact CG2-CB 4.3Å; I414-L447 HydrophobicContact CG2-CD1 3.92Å; I414-L447 HydrophobicContact CG2-CD2 4.06Å; I414-L447 HydrophobicContact CG2-CG 4.33Å; I414-I451 HydrophobicContact CD1-CD1 4.08Å; I414-I451 HydrophobicContact CD1-CG1 3.94Å; I414-L461 HydrophobicContact CD1-CD2 4.33Å; I414-L461 HydrophobicContact CG1-CD2 4.44Å
415	A	97.4	Very high	95.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.3	-40.4	-177.3	0	0	0	0	0	112.6	A382 A386 T411 L412 L418 A419	A382-A415 WeakPolarHBondContact CB-O 3.28Å; A386-A415 HydrophobicContact CB-CB 3.74Å; T411-A415 WeakPolarHBondContact O-CB 3.28Å; T411-A415 PolarHBondContact O-N 3.01Å; L412-A415 PolarHBondContact O-N 2.93Å; A415-L418 PolarHBondContact O-N 3.07Å; A415-A419 WeakPolarHBondContact O-CB 3.39Å; A415-A419 PolarHBondContact O-N 3.15Å
416	L	95.3	Very high	95.6	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-69	-38.6	175.8	-70.7	173.6	0	0	0	111.7	L412 I414 L418 A419 S420 L467 F542 A567 L570 P598 L600	L412-L416 VanDerWaalsContact O-CB 3.31Å; L412-L416 WeakPolarHBondContact O-CB 3.42Å; L412-L416 VanDerWaalsContact O-CG 3.26Å; L412-L416 WeakPolarHBondContact O-CG 3.5Å; L412-L416 PolarHBondContact O-N 3.42Å; I414-L416 PolarHBondContact O-N 2.97Å; L416-L418 VanDerWaalsContact C-N 3.32Å; L416-L418 PolarHBondContact O-N 3.37Å; L416-A419 WeakPolarHBondContact O-CB 3.36Å; L416-A419 PolarHBondContact O-N 3.21Å; L416-S420 PolarHBondContact O-N 3.42Å; L416-L467 HydrophobicContact CB-CD1 4.01Å; L416-L467 WeakPolarHBondContact O-CD1 3.44Å; L416-F542 HydrophobicContact CD2-CE1 4.3Å; L416-A567 HydrophobicContact CD2-CB 3.83Å; L416-L570 HydrophobicContact CD2-CD2 4.42Å; L416-P598 HydrophobicContact CD1-CG 4.1Å; L416-P598 WeakPolarHBondContact CD1-O 3.39Å; L416-L600 HydrophobicContact CB-CD1 3.6Å; L416-L600 HydrophobicContact CB-CG 4.31Å
417	A	94.1	Very high	95.3	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-62.7	-40.3	174.5	0	0	0	0	0	111.8	K413 I414 S420 L462 V464 L600	K413-A417 WeakPolarHBondContact O-CB 3.25Å; K413-A417 PolarHBondContact O-N 3.14Å; K413-A417 VanDerWaalsContact O-N 3.09Å; I414-A417 PolarHBondContact O-N 3.33Å; A417-S420 PolarHBondContact O-N 3.33Å; A417-S420 PolarHBondContact O-OG 3.09Å; A417-L462 HydrophobicContact CB-CB 3.95Å; A417-V464 HydrophobicContact CB-CG2 3.91Å; A417-L600 HydrophobicContact CB-CD1 4.2Å
418	L	95.1	Very high	94.9	Very high	20 Å²	20	20.3 Å²	20.3	11%	0.105	10%	0.097	C	C	.	.	H	α-helix	trans	-62.5	-47	171.5	-73	170.2	0	0	0	111.7	S385 I414 A415 L416 S420 R421 M438 L447 L462	S385-L418 WeakPolarHBondContact OG-CD1 2.96Å; I414-L418 HydrophobicContact CG2-CD1 4.01Å; I414-L418 HydrophobicContact CG2-CG 4.49Å; I414-L418 WeakPolarHBondContact O-CG 3.43Å; I414-L418 PolarHBondContact O-N 3.04Å; A415-L418 PolarHBondContact O-N 3.07Å; L416-L418 VanDerWaalsContact C-N 3.32Å; L416-L418 PolarHBondContact O-N 3.37Å; L418-S420 PolarHBondContact O-N 3.15Å; L418-R421 WeakPolarHBondContact O-CB 3.4Å; L418-R421 PolarHBondContact O-N 3.48Å; L418-R421 VanDerWaalsContact O-N 3.09Å; L418-M438 HydrophobicContact CB-CE 3.8Å; L418-M438 HydrophobicContact CB-CG 4.31Å; L418-M438 HydrophobicContact CB-SD 3.97Å; L418-M438 HydrophobicContact CD1-CG 4.24Å; L418-M438 HydrophobicContact CD2-CE 4.24Å; L418-M438 HydrophobicContact CD2-CG 4.28Å; L418-M438 WeakPolarHBondContact O-CE 3.43Å; L418-L447 HydrophobicContact CD1-CD1 3.95Å; L418-L462 HydrophobicContact CD2-CD1 3.49Å; L418-L462 VanDerWaalsContact CD2-CD1 3.49Å; L418-L462 HydrophobicContact CG-CD1 3.76Å
419	A	94.8	Very high	94.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.2	-36.4	177.5	0	0	0	0	0	112.7	T379 A382 A415 L416 R421 L422 F542	T379-A419 HydrophobicContact CG2-CB 3.77Å; A382-A419 HydrophobicContact CB-CB 3.71Å; A415-A419 WeakPolarHBondContact O-CB 3.39Å; A415-A419 PolarHBondContact O-N 3.15Å; L416-A419 WeakPolarHBondContact O-CB 3.36Å; L416-A419 PolarHBondContact O-N 3.21Å; A419-R421 PolarHBondContact O-N 3.33Å; A419-L422 PolarHBondContact O-N 3.33Å; A419-L422 VanDerWaalsContact O-N 3.14Å; A419-F542 HydrophobicContact CB-CE1 4.33Å; A419-F542 HydrophobicContact CB-CZ 4.32Å
420	S	91.7	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-8.7	-179.9	78.1	0	0	0	0	115	L416 A417 L418 Y465 L467	L416-S420 PolarHBondContact O-N 3.42Å; A417-S420 PolarHBondContact O-N 3.33Å; A417-S420 PolarHBondContact O-OG 3.09Å; L418-S420 PolarHBondContact O-N 3.15Å; S420-Y465 PolarHBondContact OG-N 2.89Å; S420-L467 VanDerWaalsContact CA-CD2 3.43Å; S420-L467 VanDerWaalsContact CB-CD2 3.44Å
421	R	91	Very high	94	Very high	66 Å²	66	26.8 Å²	26.8	25%	0.249	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-0.5	-179.9	-59.5	172.8	177.4	-136.1	-10.7	113.2	L418 A419 I431 P463 Y465	L418-R421 WeakPolarHBondContact O-CB 3.4Å; L418-R421 PolarHBondContact O-N 3.48Å; L418-R421 VanDerWaalsContact O-N 3.09Å; A419-R421 PolarHBondContact O-N 3.33Å; R421-I431 WeakPolarHBondContact O-CD1 3.48Å; R421-P463 PolarHBondContact NH2-O 2.89Å; R421-Y465 HydrophobicContact CG-CD2 4.19Å; R421-Y465 HydrophobicContact CG-CE2 4.05Å
422	L	94.2	Very high	93.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.			trans	-83	153.4	177.5	-64.1	176.4	0	0	0	110.1	P376 T379 A419 I431 M438 L540	P376-L422 HydrophobicContact CG-CD2 4.07Å; T379-L422 HydrophobicContact CG2-CD1 4.33Å; A419-L422 PolarHBondContact O-N 3.33Å; A419-L422 VanDerWaalsContact O-N 3.14Å; L422-I431 HydrophobicContact CD2-CG2 4.17Å; L422-M438 HydrophobicContact CD1-CE 4.38Å; L422-M438 HydrophobicContact CD1-SD 4.26Å; L422-M438 HydrophobicContact CD2-CE 3.62Å; L422-M438 HydrophobicContact CD2-SD 4.2Å; L422-M438 HydrophobicContact CG-CE 3.91Å; L422-M438 HydrophobicContact CG-SD 4.43Å; L422-L540 HydrophobicContact CB-CD1 3.69Å
423	G	94.3	Very high	93.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.			trans	-157	-163.8	177.2	0	0	0	0	0	109.6	P377 P425	P377-G423 WeakPolarHBondContact CA-O 3.25Å; G423-P425 WeakPolarHBondContact O-CD 3.33Å
424	D	95.6	Very high	93.5	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	20%	0.195	C	C	.	.			trans	-77.6	114.2	176.7	-167.1	-29.5	0	0	0	110.7	I426 Y427 D428 K537 R538	D424-I426 PolarHBondContact O-N 2.99Å; D424-I426 WeakPolarHBondContact OD1-CB 3.4Å; D424-I426 PolarHBondContact OD1-N 3.2Å; D424-Y427 HydrophobicContact CB-CD2 4.08Å; D424-Y427 PolarHBondContact O-N 3.3Å; D424-Y427 VanDerWaalsContact O-N 3.15Å; D424-D428 PolarHBondContact O-N 2.92Å; D424-K537 HydrophobicContact CB-CD 4.22Å; D424-K537 HydrophobicContact CB-CG 3.54Å; D424-R538 PolarHBondContact OD2-N 2.72Å
425	P	93.9	Very high	93.5	Very high	36 Å²	36	37.6 Å²	37.6	23%	0.234	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-16	-176.1	30.3	-35.8	0	0	0	113.2	P376 G423 Y427 I431	P376-P425 HydrophobicContact CB-CG 4.17Å; G423-P425 WeakPolarHBondContact O-CD 3.33Å; P425-Y427 PolarHBondContact O-N 3.41Å; P425-I431 HydrophobicContact CB-CB 4.28Å; P425-I431 HydrophobicContact CB-CG2 4.2Å
426	I	92.2	Very high	93.4	Very high	116 Å²	116	42 Å²	42	60%	0.595	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-30.5	175.2	-63.1	174	0	0	0	110.6	L357 D424	L357-I426 HydrophobicContact CD1-CD1 4.13Å; D424-I426 PolarHBondContact O-N 2.99Å; D424-I426 WeakPolarHBondContact OD1-CB 3.4Å; D424-I426 PolarHBondContact OD1-N 3.2Å
427	Y	91.6	Very high	93.5	Very high	92 Å²	92	46.5 Å²	46.5	36%	0.361	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-19.4	-174.1	-70.7	-100.4	0	0	0	113.3	D424 P425 Q534 P535 G536 K537	D424-Y427 HydrophobicContact CB-CD2 4.08Å; D424-Y427 PolarHBondContact O-N 3.3Å; D424-Y427 VanDerWaalsContact O-N 3.15Å; P425-Y427 PolarHBondContact O-N 3.41Å; Y427-Q534 HydrophobicContact CD1-CB 4.46Å; Y427-Q534 HydrophobicContact CE1-CB 4.49Å; Y427-P535 PolarHBondContact OH-O 3.15Å; Y427-G536 WeakPolarHBondContact OH-CA 3.21Å; Y427-K537 HydrophobicContact CD1-CB 4.46Å; Y427-K537 HydrophobicContact CD2-CB 4.04Å; Y427-K537 HydrophobicContact CD2-CD 4.34Å; Y427-K537 HydrophobicContact CD2-CG 3.78Å; Y427-K537 HydrophobicContact CE1-CB 4.25Å; Y427-K537 HydrophobicContact CE2-CB 3.85Å; Y427-K537 HydrophobicContact CE2-CG 4.08Å; Y427-K537 HydrophobicContact CG-CB 4.36Å; Y427-K537 HydrophobicContact CG-CD 4.12Å; Y427-K537 HydrophobicContact CG-CG 4.07Å; Y427-K537 PolarHBondContact OH-N 3.13Å
428	D	89.2	Confident	93.6	Very high	47 Å²	47	46.7 Å²	46.7	25%	0.251	25%	0.248	S	C	.	.			trans	-143.4	111.8	179.4	-172.5	-14.5	0	0	0	111	D424 T430 I431	D424-D428 PolarHBondContact O-N 2.92Å; D428-T430 PolarHBondContact O-N 3.22Å; D428-T430 WeakPolarHBondContact OD1-CB 3.36Å; D428-T430 WeakPolarHBondContact OD1-CG2 3.47Å; D428-T430 PolarHBondContact OD1-N 3.04Å; D428-T430 PolarHBondContact OD1-OG1 3.15Å; D428-T430 PolarHBondContact OD2-OG1 3.12Å; D428-I431 HydrophobicContact CB-CG1 3.91Å; D428-I431 WeakPolarHBondContact O-CB 3.46Å; D428-I431 WeakPolarHBondContact O-CG1 3.5Å; D428-I431 PolarHBondContact O-N 2.66Å
429	S	89.1	Confident	93.8	Very high	87 Å²	87	47.8 Å²	47.8	61%	0.608	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.8	-179	58.4	0	0	0	0	113.4	I431 T432	S429-I431 PolarHBondContact O-N 2.86Å; S429-T432 WeakPolarHBondContact O-CB 3.47Å; S429-T432 PolarHBondContact O-N 2.98Å
430	T	91.6	Very high	93.9	Very high	60 Å²	60	49.7 Å²	49.7	37%	0.368	27%	0.268	S	S	.	.	H	α-helix	trans	-65.9	-19.4	179.1	68.7	0	0	0	0	112.5	D428 T432 E433 S434	D428-T430 PolarHBondContact O-N 3.22Å; D428-T430 WeakPolarHBondContact OD1-CB 3.36Å; D428-T430 WeakPolarHBondContact OD1-CG2 3.47Å; D428-T430 PolarHBondContact OD1-N 3.04Å; D428-T430 PolarHBondContact OD1-OG1 3.15Å; D428-T430 PolarHBondContact OD2-OG1 3.12Å; T430-T432 VanDerWaalsContact C-N 3.28Å; T430-T432 PolarHBondContact O-N 2.82Å; T430-E433 PolarHBondContact O-N 2.87Å; T430-S434 WeakPolarHBondContact O-CB 3.43Å; T430-S434 PolarHBondContact O-N 3.36Å; T430-S434 PolarHBondContact O-OG 3.36Å
431	I	94.4	Very high	94.2	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-33.9	173.2	-55.1	-54.8	0	0	0	111.3	P376 R421 L422 P425 D428 S429 S434 M435 E530	P376-I431 HydrophobicContact CB-CG2 3.62Å; P376-I431 HydrophobicContact CG-CG2 3.93Å; R421-I431 WeakPolarHBondContact O-CD1 3.48Å; L422-I431 HydrophobicContact CD2-CG2 4.17Å; P425-I431 HydrophobicContact CB-CB 4.28Å; P425-I431 HydrophobicContact CB-CG2 4.2Å; D428-I431 HydrophobicContact CB-CG1 3.91Å; D428-I431 WeakPolarHBondContact O-CB 3.46Å; D428-I431 WeakPolarHBondContact O-CG1 3.5Å; D428-I431 PolarHBondContact O-N 2.66Å; S429-I431 PolarHBondContact O-N 2.86Å; I431-S434 PolarHBondContact O-N 3.4Å; I431-M435 WeakPolarHBondContact O-CB 3.47Å; I431-M435 PolarHBondContact O-N 2.94Å; I431-E530 HydrophobicContact CD1-CB 3.9Å; I431-E530 HydrophobicContact CD1-CG 3.95Å
432	T	94.3	Very high	94.5	Very high	61 Å²	61	56.7 Å²	56.7	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-68.4	-42.7	176.9	-54	0	0	0	0	110.5	S429 T430 M435 D436	S429-T432 WeakPolarHBondContact O-CB 3.47Å; S429-T432 PolarHBondContact O-N 2.98Å; T430-T432 VanDerWaalsContact C-N 3.28Å; T430-T432 PolarHBondContact O-N 2.82Å; T432-M435 HydrophobicContact CG2-CE 4.07Å; T432-M435 WeakPolarHBondContact O-CB 3.42Å; T432-M435 PolarHBondContact O-N 3.48Å; T432-D436 PolarHBondContact O-N 3.07Å
433	E	93	Very high	94.7	Very high	129 Å²	129	59.7 Å²	59.7	60%	0.603	32%	0.324	S	S	*	.	H	α-helix	trans	-62.3	-46.2	174.7	-62.1	177.7	-178.2	0	0	111	T430 M435 D436 D437	T430-E433 PolarHBondContact O-N 2.87Å; E433-M435 VanDerWaalsContact C-N 3.28Å; E433-M435 PolarHBondContact O-N 3.41Å; E433-D436 PolarHBondContact O-N 3.02Å; E433-D436 VanDerWaalsContact O-N 3.16Å; E433-D437 PolarHBondContact O-N 3.38Å
434	S	94	Very high	94.9	Very high	36 Å²	36	59.9 Å²	59.9	25%	0.252	33%	0.325	S	S	.	.	H	α-helix	trans	-60.5	-38.1	176.6	-61.5	0	0	0	0	112.2	T430 I431 M438	T430-S434 WeakPolarHBondContact O-CB 3.43Å; T430-S434 PolarHBondContact O-N 3.36Å; T430-S434 PolarHBondContact O-OG 3.36Å; I431-S434 PolarHBondContact O-N 3.4Å; S434-M438 VanDerWaalsContact O-CG 3.24Å; S434-M438 WeakPolarHBondContact O-CG 3.37Å; S434-M438 PolarHBondContact O-N 2.95Å; S434-M438 VanDerWaalsContact O-N 3.08Å
435	M	96.4	Very high	95	Very high	31 Å²	31	61.7 Å²	61.7	15%	0.153	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-48.2	174.2	171.6	-174.2	73.9	0	0	111.3	V362 P376 P381 I431 T432 E433 D437 M438 L439	V362-M435 HydrophobicContact CG1-CG 4.29Å; V362-M435 HydrophobicContact CG1-SD 3.61Å; P376-M435 WeakPolarHBondContact CD-SD 3.15Å; P376-M435 HydrophobicContact CG-CB 4.18Å; P376-M435 HydrophobicContact CG-CG 4.38Å; P376-M435 HydrophobicContact CG-SD 4.11Å; P381-M435 HydrophobicContact CB-CG 4.11Å; P381-M435 HydrophobicContact CG-CB 4.29Å; P381-M435 HydrophobicContact CG-CG 3.68Å; P381-M435 HydrophobicContact CG-SD 4.39Å; I431-M435 WeakPolarHBondContact O-CB 3.47Å; I431-M435 PolarHBondContact O-N 2.94Å; T432-M435 HydrophobicContact CG2-CE 4.07Å; T432-M435 WeakPolarHBondContact O-CB 3.42Å; T432-M435 PolarHBondContact O-N 3.48Å; E433-M435 VanDerWaalsContact C-N 3.28Å; E433-M435 PolarHBondContact O-N 3.41Å; M435-D437 VanDerWaalsContact C-N 3.3Å; M435-D437 PolarHBondContact O-N 3.44Å; M435-M438 WeakPolarHBondContact O-CB 3.39Å; M435-M438 PolarHBondContact O-N 3.02Å; M435-M438 VanDerWaalsContact O-N 3.16Å; M435-L439 HydrophobicContact CG-CD1 4.08Å; M435-L439 HydrophobicContact CG-CG 4.5Å; M435-L439 WeakPolarHBondContact O-CG 3.29Å; M435-L439 PolarHBondContact O-N 3.08Å
436	D	96.4	Very high	95.2	Very high	93 Å²	93	66.5 Å²	66.5	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-61.1	-40.6	-179.1	-73.7	-19.6	0	0	0	111.6	T432 E433 L439 S440	T432-D436 PolarHBondContact O-N 3.07Å; E433-D436 PolarHBondContact O-N 3.02Å; E433-D436 VanDerWaalsContact O-N 3.16Å; D436-L439 PolarHBondContact O-N 3.48Å; D436-S440 PolarHBondContact O-N 2.95Å
437	D	96.3	Very high	95.4	Very high	97 Å²	97	61.1 Å²	61.1	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-44.5	173.7	-74.9	-17.7	0	0	0	111.7	E433 M435 L439 S440 E443	E433-D437 PolarHBondContact O-N 3.38Å; M435-D437 VanDerWaalsContact C-N 3.3Å; M435-D437 PolarHBondContact O-N 3.44Å; D437-L439 VanDerWaalsContact C-N 3.26Å; D437-L439 PolarHBondContact O-N 3.49Å; D437-S440 VanDerWaalsContact O-CB 3.32Å; D437-S440 WeakPolarHBondContact O-CB 3.16Å; D437-S440 PolarHBondContact O-N 3.1Å; D437-S440 VanDerWaalsContact O-N 3.12Å; D437-E443 WeakPolarHBondContact O-CB 3.43Å
438	M	97.8	Very high	95.7	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.02	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-33.3	177	-73.5	-177.2	-150.1	0	0	113.1	P381 A382 S385 L418 L422 S434 M435 S440	P381-M438 HydrophobicContact CB-CB 3.94Å; P381-M438 HydrophobicContact CB-SD 3.86Å; A382-M438 HydrophobicContact CB-SD 4.34Å; S385-M438 WeakPolarHBondContact CA-O 3.4Å; S385-M438 WeakPolarHBondContact CB-O 3.43Å; L418-M438 HydrophobicContact CB-CE 3.8Å; L418-M438 HydrophobicContact CB-CG 4.31Å; L418-M438 HydrophobicContact CB-SD 3.97Å; L418-M438 HydrophobicContact CD1-CG 4.24Å; L418-M438 HydrophobicContact CD2-CE 4.24Å; L418-M438 HydrophobicContact CD2-CG 4.28Å; L418-M438 WeakPolarHBondContact O-CE 3.43Å; L422-M438 HydrophobicContact CD1-CE 4.38Å; L422-M438 HydrophobicContact CD1-SD 4.26Å; L422-M438 HydrophobicContact CD2-CE 3.62Å; L422-M438 HydrophobicContact CD2-SD 4.2Å; L422-M438 HydrophobicContact CG-CE 3.91Å; L422-M438 HydrophobicContact CG-SD 4.43Å; S434-M438 VanDerWaalsContact O-CG 3.24Å; S434-M438 WeakPolarHBondContact O-CG 3.37Å; S434-M438 PolarHBondContact O-N 2.95Å; S434-M438 VanDerWaalsContact O-N 3.08Å; M435-M438 WeakPolarHBondContact O-CB 3.39Å; M435-M438 PolarHBondContact O-N 3.02Å; M435-M438 VanDerWaalsContact O-N 3.16Å; M438-S440 VanDerWaalsContact C-N 3.33Å
439	L	98	Very high	96.1	Very high	43 Å²	43	61.6 Å²	61.6	23%	0.225	35%	0.345	C	S	.	.	H	α-helix	trans	-79.5	-15.9	178.8	-62.9	177.5	0	0	0	112.9	V362 P381 I384 N388 M435 D436 D437	V362-L439 HydrophobicContact CB-CD1 4.17Å; V362-L439 HydrophobicContact CB-CD2 4.22Å; V362-L439 HydrophobicContact CG1-CD1 4.23Å; P381-L439 HydrophobicContact CB-CD2 4.47Å; I384-L439 HydrophobicContact CB-CD2 3.7Å; I384-L439 HydrophobicContact CG1-CD2 3.98Å; I384-L439 HydrophobicContact CG2-CD2 3.59Å; N388-L439 PolarHBondContact ND2-O 3.45Å; M435-L439 HydrophobicContact CG-CD1 4.08Å; M435-L439 HydrophobicContact CG-CG 4.5Å; M435-L439 WeakPolarHBondContact O-CG 3.29Å; M435-L439 PolarHBondContact O-N 3.08Å; D436-L439 PolarHBondContact O-N 3.48Å; D437-L439 VanDerWaalsContact C-N 3.26Å; D437-L439 PolarHBondContact O-N 3.49Å
440	S	97.8	Very high	96.4	Very high	41 Å²	41	61.8 Å²	61.8	29%	0.287	34%	0.336	S	S	.	.			trans	-72	126.9	-177.7	180	0	0	0	0	113	D436 D437 M438 V442 E443 A444	D436-S440 PolarHBondContact O-N 2.95Å; D437-S440 VanDerWaalsContact O-CB 3.32Å; D437-S440 WeakPolarHBondContact O-CB 3.16Å; D437-S440 PolarHBondContact O-N 3.1Å; D437-S440 VanDerWaalsContact O-N 3.12Å; M438-S440 VanDerWaalsContact C-N 3.33Å; S440-V442 PolarHBondContact O-N 2.76Å; S440-V442 PolarHBondContact OG-N 2.94Å; S440-E443 PolarHBondContact O-N 2.72Å; S440-E443 PolarHBondContact OG-N 2.88Å; S440-A444 PolarHBondContact O-N 2.88Å
441	K	97.3	Very high	96.7	Very high	96 Å²	96	59.7 Å²	59.7	42%	0.417	32%	0.322	S	S	.	.	H	α-helix	trans	-68.6	-24.4	171.1	-67.8	-158.7	177.4	-163	0	113.1	V365 E391 A445	V365-K441 VanDerWaalsContact O-CE 3.31Å; V365-K441 WeakPolarHBondContact O-CE 3.32Å; V365-K441 PolarHBondContact O-NZ 2.97Å; E391-K441 IonicContact OE1-NZ 3.27Å; E391-K441 IonicContact OE2-NZ 3.11Å; E391-K441 PolarHBondContact OE2-NZ 2.86Å; K441-A445 WeakPolarHBondContact O-CB 3.07Å; K441-A445 PolarHBondContact O-N 3.5Å
442	V	97.9	Very high	96.7	Very high	117 Å²	117	63.4 Å²	63.4	71%	0.709	34%	0.342	S	S	*	.	H	α-helix	trans	-68.9	-46.3	176.5	177.4	0	0	0	0	109.5	S440 A445 Y446	S440-V442 PolarHBondContact O-N 2.76Å; S440-V442 PolarHBondContact OG-N 2.94Å; V442-A445 WeakPolarHBondContact O-CB 3.43Å; V442-A445 PolarHBondContact O-N 3.48Å; V442-Y446 PolarHBondContact O-N 3.5Å
443	E	97.6	Very high	96.7	Very high	63 Å²	63	64.4 Å²	64.4	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-65.1	-43.5	177.2	-171.9	56.4	-153.5	0	0	111.1	D437 S440 A445 Y446 L447	D437-E443 WeakPolarHBondContact O-CB 3.43Å; S440-E443 PolarHBondContact O-N 2.72Å; S440-E443 PolarHBondContact OG-N 2.88Å; E443-A445 VanDerWaalsContact C-N 3.27Å; E443-A445 PolarHBondContact O-N 3.25Å; E443-Y446 WeakPolarHBondContact O-CB 3.35Å; E443-Y446 PolarHBondContact O-N 3.38Å; E443-L447 HydrophobicContact CG-CD1 4.1Å; E443-L447 HydrophobicContact CG-CG 4.44Å; E443-L447 WeakPolarHBondContact O-CG 3.37Å; E443-L447 PolarHBondContact O-N 3.43Å
444	A	98.2	Very high	96.8	Very high	3 Å²	3	61.9 Å²	61.9	3%	0.025	34%	0.342	C	S	.	.	H	α-helix	trans	-57.4	-38.5	173.6	0	0	0	0	0	113	N388 I389 S440 R448	N388-A444 HydrophobicContact CB-CB 3.45Å; N388-A444 VanDerWaalsContact CB-CB 3.45Å; I389-A444 HydrophobicContact CG1-CB 3.9Å; S440-A444 PolarHBondContact O-N 2.88Å; A444-R448 VanDerWaalsContact O-CB 3.24Å; A444-R448 WeakPolarHBondContact O-CB 3.33Å; A444-R448 PolarHBondContact O-N 2.85Å
445	A	98.1	Very high	97	Very high	42 Å²	42	66.3 Å²	66.3	35%	0.347	36%	0.358	S	S	.	.	H	α-helix	trans	-68.3	-36.1	176.2	0	0	0	0	0	112.6	K441 V442 E443 G449	K441-A445 WeakPolarHBondContact O-CB 3.07Å; K441-A445 PolarHBondContact O-N 3.5Å; V442-A445 WeakPolarHBondContact O-CB 3.43Å; V442-A445 PolarHBondContact O-N 3.48Å; E443-A445 VanDerWaalsContact C-N 3.27Å; E443-A445 PolarHBondContact O-N 3.25Å; A445-G449 PolarHBondContact O-N 3.29Å
446	Y	97.7	Very high	96.9	Very high	137 Å²	137	65.5 Å²	65.5	54%	0.537	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-49.5	173.5	171.5	-101.1	0	0	0	111.4	V442 E443 R448 G449 H450	V442-Y446 PolarHBondContact O-N 3.5Å; E443-Y446 WeakPolarHBondContact O-CB 3.35Å; E443-Y446 PolarHBondContact O-N 3.38Å; Y446-R448 PolarHBondContact O-N 3.23Å; Y446-G449 PolarHBondContact O-N 3.32Å; Y446-G449 VanDerWaalsContact O-N 3.09Å; Y446-H450 AromaticContact CE1-CE1 3.76Å; Y446-H450 AromaticContact CE2-CE1 3.53Å; Y446-H450 AromaticContact CZ-CE1 3.37Å; Y446-H450 PolarHBondContact O-ND1 3.47Å
447	L	97.6	Very high	96.6	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.016	35%	0.346	C	S	.	.	H	α-helix	trans	-61.5	-43.5	177.4	-68.2	170.8	0	0	0	111.9	I389 I414 L418 E443 G449 H450 L461	I389-L447 HydrophobicContact CD1-CB 4.01Å; I389-L447 HydrophobicContact CD1-CD1 4.14Å; I389-L447 HydrophobicContact CG1-CB 4.31Å; I414-L447 HydrophobicContact CD1-CB 4.46Å; I414-L447 HydrophobicContact CG2-CB 4.3Å; I414-L447 HydrophobicContact CG2-CD1 3.92Å; I414-L447 HydrophobicContact CG2-CD2 4.06Å; I414-L447 HydrophobicContact CG2-CG 4.33Å; L418-L447 HydrophobicContact CD1-CD1 3.95Å; E443-L447 HydrophobicContact CG-CD1 4.1Å; E443-L447 HydrophobicContact CG-CG 4.44Å; E443-L447 WeakPolarHBondContact O-CG 3.37Å; E443-L447 PolarHBondContact O-N 3.43Å; L447-G449 PolarHBondContact O-N 3.41Å; L447-H450 WeakPolarHBondContact O-CB 3.37Å; L447-H450 PolarHBondContact O-N 3.36Å; L447-L461 HydrophobicContact CD2-CD2 3.82Å
448	R	97.6	Very high	96	Very high	86 Å²	86	63.9 Å²	63.9	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-55.7	-38	173.5	-176	-167.1	59	-170.8	-15.6	112	I389 G392 F393 A444 Y446 H450 I451	I389-R448 HydrophobicContact CG2-CB 4.07Å; I389-R448 HydrophobicContact CG2-CG 4.45Å; G392-R448 PolarHBondContact O-NH1 3.19Å; F393-R448 HydrophobicContact CD2-CG 4.27Å; F393-R448 HydrophobicContact CE1-CG 4.2Å; F393-R448 HydrophobicContact CE2-CG 3.71Å; F393-R448 HydrophobicContact CZ-CG 3.66Å; A444-R448 VanDerWaalsContact O-CB 3.24Å; A444-R448 WeakPolarHBondContact O-CB 3.33Å; A444-R448 PolarHBondContact O-N 2.85Å; Y446-R448 PolarHBondContact O-N 3.23Å; R448-H450 PolarHBondContact O-N 2.88Å; R448-H450 VanDerWaalsContact O-N 3.11Å; R448-I451 WeakPolarHBondContact O-CB 3.47Å; R448-I451 PolarHBondContact O-N 3.22Å
449	G	97.1	Very high	95.3	Very high	64 Å²	64	66.5 Å²	66.5	66%	0.66	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-14	178.5	0	0	0	0	0	114.7	A445 Y446 L447	A445-G449 PolarHBondContact O-N 3.29Å; Y446-G449 PolarHBondContact O-N 3.32Å; Y446-G449 VanDerWaalsContact O-N 3.09Å; L447-G449 PolarHBondContact O-N 3.41Å
450	H	95.9	Very high	94.4	Very high	91 Å²	91	66.7 Å²	66.7	42%	0.421	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-6.7	176.2	-66.2	75.9	0	0	0	113.4	Y446 L447 R448 L461	Y446-H450 AromaticContact CE1-CE1 3.76Å; Y446-H450 AromaticContact CE2-CE1 3.53Å; Y446-H450 AromaticContact CZ-CE1 3.37Å; Y446-H450 PolarHBondContact O-ND1 3.47Å; L447-H450 WeakPolarHBondContact O-CB 3.37Å; L447-H450 PolarHBondContact O-N 3.36Å; R448-H450 PolarHBondContact O-N 2.88Å; R448-H450 VanDerWaalsContact O-N 3.11Å; H450-L461 HydrophobicContact CB-CD1 4.18Å; H450-L461 HydrophobicContact CB-CD2 3.88Å
451	I	96.9	Very high	93.6	Very high	15 Å²	15	68.4 Å²	68.4	8%	0.077	39%	0.391	C	S	.	.			trans	-82.3	121.2	176.4	-60.7	176.1	0	0	0	108.5	I389 F393 E410 I414 R448	I389-I451 HydrophobicContact CG2-CD1 3.87Å; F393-I451 HydrophobicContact CE2-CD1 3.94Å; F393-I451 HydrophobicContact CZ-CB 4.06Å; F393-I451 HydrophobicContact CZ-CD1 3.87Å; F393-I451 HydrophobicContact CZ-CG2 3.95Å; E410-I451 HydrophobicContact CB-CD1 4.23Å; E410-I451 HydrophobicContact CB-CG1 4.12Å; E410-I451 HydrophobicContact CB-CG2 3.74Å; E410-I451 HydrophobicContact CG-CG2 4.13Å; I414-I451 HydrophobicContact CD1-CD1 4.08Å; I414-I451 HydrophobicContact CD1-CG1 3.94Å; R448-I451 WeakPolarHBondContact O-CB 3.47Å; R448-I451 PolarHBondContact O-N 3.22Å
452	N	96.1	Very high	93	Very high	79 Å²	79	65.5 Å²	65.5	42%	0.422	38%	0.38	S	S	.	.			trans	-93.5	122.4	177.6	-179.9	-24.6	0	0	0	110.4	H406 S454 Q455	H406-N452 PolarHBondContact NE2-O 3.48Å; N452-S454 PolarHBondContact O-N 2.84Å; N452-S454 PolarHBondContact OD1-N 2.87Å; N452-Q455 PolarHBondContact O-N 3.25Å; N452-Q455 VanDerWaalsContact O-O 3.13Å; N452-Q455 PolarHBondContact OD1-N 3.05Å
453	D	94.4	Very high	92.2	Very high	82 Å²	82	63.9 Å²	63.9	44%	0.439	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.6	-176.6	-65.7	-28.8	0	0	0	115.5	Q403 W407 R622	Q403-D453 PolarHBondContact NE2-O 2.64Å; Q403-D453 PolarHBondContact OE1-O 3.14Å; W407-D453 PolarHBondContact NE1-OD1 3.27Å; D453-R622 PolarHBondContact O-NE 3.05Å; D453-R622 VanDerWaalsContact O-NE 3.12Å
454	S	95.1	Very high	91.4	Very high	76 Å²	76	62.5 Å²	62.5	53%	0.531	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-8.7	-171.5	-58.5	0	0	0	0	114.3	N452 R622	N452-S454 PolarHBondContact O-N 2.84Å; N452-S454 PolarHBondContact OD1-N 2.87Å; S454-R622 WeakPolarHBondContact O-CG 3.33Å
455	Q	96.3	Very high	90.6	Very high	130 Å²	130	65.2 Å²	65.2	61%	0.607	38%	0.377	S	S	*	.	S	Bend	trans	-144.4	132.9	-177.6	-67.4	-170.9	2.5	0	0	111.2	N452 R622	N452-Q455 PolarHBondContact O-N 3.25Å; N452-Q455 VanDerWaalsContact O-O 3.13Å; N452-Q455 PolarHBondContact OD1-N 3.05Å; Q455-R622 CarbonylContact C-O 3.57Å; Q455-R622 WeakPolarHBondContact CA-O 3.37Å
456	A	94.6	Very high	89.5	Confident	14 Å²	14	63.5 Å²	63.5	12%	0.116	36%	0.362	C	S	.	.			trans	-66.9	142.6	170.5	0	0	0	0	0	110.3	R622	A456-R622 WeakPolarHBondContact CB-O 3.44Å; A456-R622 PolarHBondContact N-O 2.94Å
457	A	90.8	Very high	88.3	Confident	33 Å²	33	58.3 Å²	58.3	27%	0.273	34%	0.344	S	S	.	.			trans	-61.5	127.7	172.9	0	0	0	0	0	109.8	E410 A459	E410-A457 VanDerWaalsContact OE2-CB 3.24Å; E410-A457 WeakPolarHBondContact OE2-CB 3.08Å; E410-A457 PolarHBondContact OE2-N 2.87Å; A457-A459 PolarHBondContact O-N 3.4Å
458	P	83.7	Confident	86.8	Confident	123 Å²	123	60.5 Å²	60.5	80%	0.799	36%	0.355	S	S	*	.	S	Bend	trans	-72.5	-20.5	-177.7	29.5	-35.6	0	0	0	112.7
459	A	81.9	Confident	85.1	Confident	59 Å²	59	57.1 Å²	57.1	49%	0.488	35%	0.347	S	S	.	.	S	Bend	trans	-144.1	156.6	174.8	0	0	0	0	0	109.2	A457 L461	A457-A459 PolarHBondContact O-N 3.4Å; A459-L461 PolarHBondContact O-N 3.23Å
460	P	81.1	Confident	83.6	Confident	47 Å²	47	54.4 Å²	54.4	31%	0.305	32%	0.319	S	S	.	.			trans	-55.3	137.4	173.7	-24.9	34.8	0	0	0	111.8	L462 V464 L600	P460-L462 WeakPolarHBondContact CB-O 3.49Å; P460-L462 PolarHBondContact O-N 3.47Å; P460-V464 HydrophobicContact CB-CG2 3.42Å; P460-V464 VanDerWaalsContact CB-CG2 3.42Å; P460-V464 HydrophobicContact CG-CG2 3.55Å; P460-L600 HydrophobicContact CG-CD2 4.41Å
461	L	80.8	Confident	82.7	Confident	76 Å²	76	52.6 Å²	52.6	40%	0.398	32%	0.315	S	S	.	.	S	Bend	trans	-61.1	-30.5	177.7	-179.3	65	0	0	0	112.3	I414 L447 H450 A459	I414-L461 HydrophobicContact CD1-CD2 4.33Å; I414-L461 HydrophobicContact CG1-CD2 4.44Å; L447-L461 HydrophobicContact CD2-CD2 3.82Å; H450-L461 HydrophobicContact CB-CD1 4.18Å; H450-L461 HydrophobicContact CB-CD2 3.88Å; A459-L461 PolarHBondContact O-N 3.23Å
462	L	83.8	Confident	82.1	Confident	36 Å²	36	52.7 Å²	52.7	19%	0.188	32%	0.316	C	S	.	.	S	Bend	trans	-120.5	144.4	-177.2	-63.8	174.2	0	0	0	108.7	A417 L418 P460 V464	A417-L462 HydrophobicContact CB-CB 3.95Å; L418-L462 HydrophobicContact CD2-CD1 3.49Å; L418-L462 VanDerWaalsContact CD2-CD1 3.49Å; L418-L462 HydrophobicContact CG-CD1 3.76Å; P460-L462 WeakPolarHBondContact CB-O 3.49Å; P460-L462 PolarHBondContact O-N 3.47Å; L462-V464 WeakPolarHBondContact O-CG2 3.33Å; L462-V464 PolarHBondContact O-N 3.28Å
463	P	80.7	Confident	82	Confident	82 Å²	82	49.1 Å²	49.1	53%	0.532	30%	0.298	S	S	.	.			trans	-45.3	131.3	164.9	-27.7	23.5	0	0	0	111.8	R421	R421-P463 PolarHBondContact NH2-O 2.89Å
464	V	81.1	Confident	82	Confident	35 Å²	35	45.2 Å²	45.2	21%	0.212	28%	0.277	C	S	.	.			trans	-110.3	129.9	-178.9	-177.5	0	0	0	0	108.5	A417 P460 L462 L600	A417-V464 HydrophobicContact CB-CG2 3.91Å; P460-V464 HydrophobicContact CB-CG2 3.42Å; P460-V464 VanDerWaalsContact CB-CG2 3.42Å; P460-V464 HydrophobicContact CG-CG2 3.55Å; L462-V464 WeakPolarHBondContact O-CG2 3.33Å; L462-V464 PolarHBondContact O-N 3.28Å; V464-L600 HydrophobicContact CB-CD1 4.46Å; V464-L600 HydrophobicContact CG1-CB 3.8Å; V464-L600 HydrophobicContact CG1-CD1 3.75Å; V464-L600 HydrophobicContact CG1-CG 4.45Å; V464-L600 HydrophobicContact CG2-CB 4.33Å; V464-L600 HydrophobicContact CG2-CD1 3.78Å
465	Y	82.1	Confident	82.1	Confident	59 Å²	59	41.6 Å²	41.6	23%	0.231	25%	0.252	C	S	.	.			trans	-102.1	168.4	172.2	-57.1	-80.9	0	0	0	110.7	S420 R421 L467 A526	S420-Y465 PolarHBondContact OG-N 2.89Å; R421-Y465 HydrophobicContact CG-CD2 4.19Å; R421-Y465 HydrophobicContact CG-CE2 4.05Å; Y465-L467 PolarHBondContact O-N 3.37Å; Y465-L467 VanDerWaalsContact O-N 3.16Å; Y465-A526 HydrophobicContact CD1-CB 4.2Å; Y465-A526 HydrophobicContact CE1-CB 4.47Å
466	E	74.3	Confident	82.3	Confident	7 Å²	7	35.5 Å²	35.5	3%	0.033	22%	0.223	C	C	.	.			trans	-54	121.4	177.6	-167.4	174.5	122.9	0	0	111.2	D468 R520 T521 A526	E466-D468 HydrophobicContact CG-CB 4.36Å; E466-R520 VanDerWaalsContact OE1-CD 3.28Å; E466-R520 WeakPolarHBondContact OE1-CD 3.39Å; E466-R520 IonicContact OE1-CZ 3.82Å; E466-R520 IonicContact OE1-NE 2.82Å; E466-R520 PolarHBondContact OE1-NE 3.43Å; E466-T521 HydrophobicContact CG-CG2 4.27Å; E466-T521 VanDerWaalsContact OE1-CG2 3.26Å; E466-T521 WeakPolarHBondContact OE1-CG2 3.22Å; E466-T521 WeakPolarHBondContact OE2-CG2 3.37Å; E466-T521 PolarHBondContact OE2-OG1 3.16Å; E466-A526 PolarHBondContact N-O 3.1Å
467	L	71.7	Confident	82.4	Confident	27 Å²	27	34.8 Å²	34.8	14%	0.141	22%	0.218	C	C	.	.			trans	-109	56.9	179.2	-75.6	177.7	0	0	0	109.6	L416 S420 Y465 L540 F542 L600	L416-L467 HydrophobicContact CB-CD1 4.01Å; L416-L467 WeakPolarHBondContact O-CD1 3.44Å; S420-L467 VanDerWaalsContact CA-CD2 3.43Å; S420-L467 VanDerWaalsContact CB-CD2 3.44Å; Y465-L467 PolarHBondContact O-N 3.37Å; Y465-L467 VanDerWaalsContact O-N 3.16Å; L467-L540 HydrophobicContact CD2-CD2 4.36Å; L467-F542 HydrophobicContact CD2-CE2 4.02Å; L467-F542 HydrophobicContact CD2-CZ 3.71Å; L467-L600 HydrophobicContact CD1-CD1 4.37Å
468	D	67.2	Low	82.8	Confident	49 Å²	49	33.2 Å²	33.2	26%	0.262	21%	0.205	S	C	.	.			trans	-78.6	138.6	168	-81.2	12.9	0	0	0	108.5	E466 R520	E466-D468 HydrophobicContact CG-CB 4.36Å; D468-R520 VanDerWaalsContact CB-NH2 3.29Å; D468-R520 IonicContact OD2-CZ 3Å; D468-R520 VanDerWaalsContact OD2-CZ 3.32Å; D468-R520 IonicContact OD2-NE 3.85Å; D468-R520 PolarHBondContact OD2-NE 3.16Å; D468-R520 IonicContact OD2-NH2 3.75Å; D468-R520 PolarHBondContact OD2-NH2 2.94Å
469	G	60.9	Low	83.4	Confident	15 Å²	15	27.4 Å²	27.4	16%	0.155	17%	0.167	C	C	.	.			trans	-152.3	160.1	176.8	0	0	0	0	0	110.4	P471 D514	G469-P471 WeakPolarHBondContact O-CD 3.43Å; G469-D514 VanDerWaalsContact CA-OD1 3.28Å; G469-D514 WeakPolarHBondContact CA-OD1 3.46Å
470	A	66.6	Low	83.8	Confident	8 Å²	8	24.6 Å²	24.6	7%	0.066	14%	0.144	C	C	.	.			trans	-45.1	108	172.2	0	0	0	0	0	111.7	T472 S491 N493 D514 A566	A470-T472 PolarHBondContact O-N 3.32Å; A470-S491 WeakPolarHBondContact CB-OG 3.45Å; A470-N493 HydrophobicContact CB-CB 4.45Å; A470-D514 PolarHBondContact N-OD1 3.25Å; A470-A566 WeakPolarHBondContact O-CB 3.15Å
471	P	76.1	Confident	84.2	Confident	53 Å²	53	24.9 Å²	24.9	34%	0.344	15%	0.145	S	C	.	.	S	Bend	trans	-67.7	-20.8	-176.3	27.8	-36.6	0	0	0	111.9	G469 N493 N564	G469-P471 WeakPolarHBondContact O-CD 3.43Å; P471-N493 WeakPolarHBondContact CD-O 3.28Å; P471-N564 PolarHBondContact O-OD1 3.03Å
472	T	85.3	Confident	84.7	Confident	16 Å²	16	21.5 Å²	21.5	10%	0.098	13%	0.128	C	C	.	.			trans	-127.2	131.6	-177.2	-48.5	0	0	0	0	110.6	S181 A470 S491 N564	S181-T472 WeakPolarHBondContact OG-CG2 3.43Å; A470-T472 PolarHBondContact O-N 3.32Å; T472-S491 WeakPolarHBondContact O-CB 3.33Å; T472-S491 PolarHBondContact O-OG 3.12Å; T472-N564 VanDerWaalsContact CA-OD1 3.31Å; T472-N564 WeakPolarHBondContact CA-OD1 3.4Å
473	A	92.7	Very high	85.2	Confident	4 Å²	4	21.7 Å²	21.7	3%	0.033	13%	0.129	C	C	.	.			trans	-141.9	146	172.4	0	0	0	0	0	110.7	V489 S490 L543 N564	A473-V489 HydrophobicContact CB-CG1 3.68Å; A473-S490 CarbonylContact C-O 3.58Å; A473-S490 WeakPolarHBondContact CA-O 3.36Å; A473-L543 HydrophobicContact CB-CD2 3.73Å; A473-N564 PolarHBondContact N-OD1 3.09Å
474	A	96.1	Very high	85.9	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.008	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	144.4	172.3	0	0	0	0	0	110.6	D145 L174 V489 S490	D145-A474 WeakPolarHBondContact OD2-CA 3.4Å; L174-A474 HydrophobicContact CB-CB 4.35Å; L174-A474 HydrophobicContact CD1-CB 4Å; A474-V489 CarbonylContact O-C 3.55Å; A474-V489 VanDerWaalsContact O-CA 3.25Å; A474-V489 WeakPolarHBondContact O-CA 3.43Å; A474-S490 PolarHBondContact N-O 3.13Å; A474-S490 PolarHBondContact O-N 3.16Å
475	Q	97.3	Very high	86.7	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.7	-173.7	-58.3	171.1	75.6	0	0	109.8	T144 D145 M488 G562 H636	T144-Q475 WeakPolarHBondContact CA-O 3.36Å; D145-Q475 PolarHBondContact OD1-NE2 2.99Å; D145-Q475 PolarHBondContact OD2-N 3.29Å; Q475-M488 WeakPolarHBondContact CA-O 3.29Å; Q475-G562 PolarHBondContact OE1-O 3.06Å; Q475-H636 PolarHBondContact NE2-CD2 3.29Å; Q475-H636 VanDerWaalsContact NE2-CD2 3.31Å
476	V	98.6	Very high	87.5	Confident	1 Å²	1	14.3 Å²	14.3	1%	0.006	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	116.2	174	-179.4	0	0	0	0	108.6	T144 A167 A170 A171 L174 I478 M488	T144-V476 HydrophobicContact CG2-CG1 4.28Å; T144-V476 HydrophobicContact CG2-CG2 4.2Å; A167-V476 HydrophobicContact CB-CG1 4.11Å; A170-V476 HydrophobicContact CB-CG1 3.86Å; A170-V476 HydrophobicContact CB-CG2 4.3Å; A171-V476 HydrophobicContact CB-CG2 4.29Å; L174-V476 HydrophobicContact CD1-CG2 3.49Å; L174-V476 VanDerWaalsContact CD1-CG2 3.49Å; V476-I478 HydrophobicContact CG1-CD1 3.91Å; V476-I478 HydrophobicContact CG1-CG1 4.08Å; V476-M488 HydrophobicContact CB-CB 4.26Å; V476-M488 PolarHBondContact N-O 2.74Å; V476-M488 PolarHBondContact O-N 2.92Å
477	L	98.6	Very high	88.7	Confident	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.4	-178.8	-49.3	172.8	0	0	0	109.1	V142 V143 V486 A487 A560 H636	V142-L477 CarbonylContact C-O 3.51Å; V142-L477 WeakPolarHBondContact CA-O 3.44Å; V143-L477 HydrophobicContact CB-CB 4.23Å; V143-L477 PolarHBondContact N-O 2.98Å; V143-L477 PolarHBondContact O-N 3.1Å; L477-V486 WeakPolarHBondContact CA-O 3.45Å; L477-A487 HydrophobicContact CD2-CB 3.76Å; L477-A560 HydrophobicContact CB-CB 4.42Å; L477-A560 HydrophobicContact CD2-CB 4.43Å; L477-H636 HydrophobicContact CD1-CB 3.66Å; L477-H636 VanDerWaalsContact CD1-O 3.25Å; L477-H636 WeakPolarHBondContact CD1-O 3.27Å
478	I	98.1	Very high	89.9	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.2	-174.3	-61.1	-178.4	0	0	0	110.7	A141 V142 L157 A166 A167 V476 V486	A141-I478 VanDerWaalsContact O-CA 3.29Å; A141-I478 WeakPolarHBondContact O-CA 3.49Å; V142-I478 HydrophobicContact CB-CG1 4.37Å; V142-I478 HydrophobicContact CG1-CD1 4.19Å; V142-I478 HydrophobicContact CG1-CG1 4.04Å; V142-I478 HydrophobicContact CG2-CD1 4.31Å; V142-I478 HydrophobicContact CG2-CG1 4.13Å; V142-I478 HydrophobicContact CG2-CG2 4.38Å; L157-I478 HydrophobicContact CD1-CG2 4.29Å; A166-I478 HydrophobicContact CB-CD1 3.66Å; A167-I478 VanDerWaalsContact CA-CD1 3.5Å; A167-I478 HydrophobicContact CB-CD1 3.95Å; A167-I478 VanDerWaalsContact N-CD1 3.28Å; V476-I478 HydrophobicContact CG1-CD1 3.91Å; V476-I478 HydrophobicContact CG1-CG1 4.08Å; I478-V486 HydrophobicContact CB-CB 4.4Å; I478-V486 PolarHBondContact N-O 2.72Å; I478-V486 PolarHBondContact O-N 2.7Å
479	M	96.3	Very high	91.4	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	107.5	165.6	-68.3	-177.6	-177.3	0	0	107.1	G140 A141 I485 L559 A560 S638 R640 I645	G140-M479 CarbonylContact C-O 3.59Å; G140-M479 WeakPolarHBondContact CA-O 3.33Å; A141-M479 PolarHBondContact N-O 3.29Å; A141-M479 PolarHBondContact O-N 2.98Å; M479-I485 HydrophobicContact CE-CD1 4.17Å; M479-I485 HydrophobicContact CE-CG1 4.35Å; M479-I485 HydrophobicContact CE-CG2 3.74Å; M479-I485 HydrophobicContact CG-CB 4.44Å; M479-I485 HydrophobicContact CG-CG1 4.18Å; M479-I485 HydrophobicContact CG-CG2 4.05Å; M479-L559 VanDerWaalsContact CE-C 3.5Å; M479-A560 HydrophobicContact CE-CB 3.93Å; M479-A560 VanDerWaalsContact CE-N 3.29Å; M479-S638 WeakPolarHBondContact CE-O 3.38Å; M479-S638 WeakPolarHBondContact CE-OG 3.43Å; M479-R640 HydrophobicContact SD-CB 3.6Å; M479-R640 VanDerWaalsContact SD-CB 3.6Å; M479-I645 HydrophobicContact CB-CD1 4.44Å; M479-I645 HydrophobicContact CB-CG2 3.65Å; M479-I645 HydrophobicContact CG-CG2 4.42Å; M479-I645 HydrophobicContact SD-CG2 4Å
480	G	91.1	Very high	93.2	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.059	C	C	.	.			trans	-100.6	-179.1	-178.9	0	0	0	0	0	113.5	Q139 S163 D482	Q139-G480 CarbonylContact O-C 3.56Å; S163-G480 WeakPolarHBondContact OG-CA 3.2Å; S163-G480 PolarHBondContact OG-N 2.63Å; G480-D482 PolarHBondContact O-N 3.03Å
481	P	89	Confident	94.6	Very high	52 Å²	52	9.4 Å²	9.4	34%	0.338	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-2.2	179.9	31.7	-36.4	0	0	0	113.3	Q139 D483	Q139-P481 WeakPolarHBondContact O-CD 3.45Å; P481-D483 VanDerWaalsContact C-N 3.31Å
482	D	92.1	Very high	95.6	Very high	6 Å²	6	6.9 Å²	6.9	3%	0.032	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	8.1	178.9	59.6	-1.7	0	0	0	113.8	S162 S163 R196 G480 F484	S162-D482 WeakPolarHBondContact CA-OD2 3.21Å; S162-D482 VanDerWaalsContact CB-OD2 3.24Å; S162-D482 WeakPolarHBondContact CB-OD2 3.4Å; S163-D482 WeakPolarHBondContact CB-OD1 3.27Å; S163-D482 PolarHBondContact N-OD2 3.49Å; S163-D482 PolarHBondContact OG-OD1 3.38Å; R196-D482 PolarHBondContact NH2-O 3.11Å; G480-D482 PolarHBondContact O-N 3.03Å; D482-F484 HydrophobicContact CB-CD2 4.22Å; D482-F484 VanDerWaalsContact CG-CD2 3.45Å; D482-F484 PolarHBondContact O-N 2.72Å; D482-F484 PolarHBondContact OD1-N 2.97Å; D482-F484 VanDerWaalsContact OD2-CD2 3.22Å; D482-F484 WeakPolarHBondContact OD2-CD2 3.4Å
483	D	92.5	Very high	96.1	Very high	40 Å²	40	6.2 Å²	6.2	21%	0.214	4%	0.036	C	C	.	.	S	Bend	trans	63.6	17.6	179.7	-66.5	-45.1	0	0	0	114.4	I195 R196 P481 R640	I195-D483 HydrophobicContact CB-CB 4.19Å; I195-D483 WeakPolarHBondContact CB-O 3.18Å; I195-D483 HydrophobicContact CD1-CB 4.43Å; I195-D483 WeakPolarHBondContact CD1-O 3.32Å; I195-D483 VanDerWaalsContact CG1-O 3.26Å; I195-D483 WeakPolarHBondContact CG1-O 3.35Å; I195-D483 PolarHBondContact N-O 3.23Å; I195-D483 VanDerWaalsContact N-O 3.11Å; R196-D483 HydrophobicContact CG-CB 3.83Å; P481-D483 VanDerWaalsContact C-N 3.31Å; D483-R640 IonicContact OD1-CZ 2.78Å; D483-R640 VanDerWaalsContact OD1-CZ 3.23Å; D483-R640 IonicContact OD1-NH1 3.23Å; D483-R640 PolarHBondContact OD1-NH1 2.71Å; D483-R640 IonicContact OD1-NH2 3.72Å; D483-R640 PolarHBondContact OD1-NH2 2.66Å
484	F	96.5	Very high	96.1	Very high	20 Å²	20	9.3 Å²	9.3	9%	0.088	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.4	166.7	-64.5	-46.1	0	0	0	110.9	S163 V192 H193 D194 Y246 D482 V486	S163-F484 PolarHBondContact OG-O 3.13Å; V192-F484 HydrophobicContact CG1-CD1 4.37Å; H193-F484 WeakPolarHBondContact O-CA 3.38Å; D194-F484 HydrophobicContact CB-CD1 3.88Å; D194-F484 HydrophobicContact CB-CE1 3.69Å; D194-F484 WeakPolarHBondContact OD2-CE1 3.48Å; Y246-F484 HydrophobicContact CD1-CD1 4.45Å; Y246-F484 AromaticContact CD1-CE1 3.84Å; Y246-F484 HydrophobicContact CD1-CE1 3.84Å; Y246-F484 HydrophobicContact CD1-CE2 4.29Å; Y246-F484 AromaticContact CD1-CZ 3.77Å; Y246-F484 HydrophobicContact CD1-CZ 3.77Å; Y246-F484 HydrophobicContact CE1-CE1 4.29Å; D482-F484 HydrophobicContact CB-CD2 4.22Å; D482-F484 VanDerWaalsContact CG-CD2 3.45Å; D482-F484 PolarHBondContact O-N 2.72Å; D482-F484 PolarHBondContact OD1-N 2.97Å; D482-F484 VanDerWaalsContact OD2-CD2 3.22Å; D482-F484 WeakPolarHBondContact OD2-CD2 3.4Å; F484-V486 HydrophobicContact CB-CG2 4.48Å
485	I	97.9	Very high	96.1	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.9	167.1	-54.5	179.2	0	0	0	107.1	V192 H193 I195 M479 V547 Y558 A560	V192-I485 CarbonylContact C-O 3.51Å; V192-I485 WeakPolarHBondContact CA-O 3.43Å; H193-I485 HydrophobicContact CB-CB 4.29Å; H193-I485 PolarHBondContact N-O 3.29Å; H193-I485 PolarHBondContact O-N 3.31Å; I195-I485 HydrophobicContact CD1-CD1 3.94Å; I195-I485 HydrophobicContact CD1-CG1 3.94Å; I195-I485 HydrophobicContact CG1-CD1 4.1Å; I195-I485 HydrophobicContact CG1-CG1 4.2Å; M479-I485 HydrophobicContact CE-CD1 4.17Å; M479-I485 HydrophobicContact CE-CG1 4.35Å; M479-I485 HydrophobicContact CE-CG2 3.74Å; M479-I485 HydrophobicContact CG-CB 4.44Å; M479-I485 HydrophobicContact CG-CG1 4.18Å; M479-I485 HydrophobicContact CG-CG2 4.05Å; I485-V547 HydrophobicContact CB-CG1 4.43Å; I485-V547 HydrophobicContact CD1-CG1 4.43Å; I485-V547 HydrophobicContact CG2-CG1 4.03Å; I485-V547 HydrophobicContact CG2-CG2 3.93Å; I485-Y558 HydrophobicContact CD1-CD1 3.49Å; I485-Y558 VanDerWaalsContact CD1-CD1 3.49Å; I485-Y558 HydrophobicContact CD1-CE1 4.47Å; I485-Y558 HydrophobicContact CD1-CG 3.83Å; I485-A560 HydrophobicContact CG2-CB 3.64Å
486	V	98.7	Very high	96.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124	-178.2	-173.1	0	0	0	0	108.9	V164 A167 M190 L191 V192 L477 I478 F484	V164-V486 HydrophobicContact CG2-CG2 3.66Å; A167-V486 HydrophobicContact CB-CB 4.46Å; A167-V486 HydrophobicContact CB-CG1 3.7Å; M190-V486 HydrophobicContact CG-CG1 3.86Å; M190-V486 HydrophobicContact SD-CG1 3.95Å; L191-V486 WeakPolarHBondContact O-CA 3.37Å; V192-V486 HydrophobicContact CG1-CG2 4.4Å; V192-V486 HydrophobicContact CG2-CG1 4.37Å; V192-V486 HydrophobicContact CG2-CG2 4.37Å; L477-V486 WeakPolarHBondContact CA-O 3.45Å; I478-V486 HydrophobicContact CB-CB 4.4Å; I478-V486 PolarHBondContact N-O 2.72Å; I478-V486 PolarHBondContact O-N 2.7Å; F484-V486 HydrophobicContact CB-CG2 4.48Å
487	A	98.8	Very high	96	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.9	166.6	0	0	0	0	0	108.4	M190 L191 L477 P545 V547 A560	M190-A487 CarbonylContact C-O 3.51Å; M190-A487 WeakPolarHBondContact CA-O 3.38Å; L191-A487 PolarHBondContact N-O 3.35Å; L191-A487 PolarHBondContact O-N 3.06Å; L477-A487 HydrophobicContact CD2-CB 3.76Å; A487-P545 HydrophobicContact CB-CB 3.66Å; A487-P545 WeakPolarHBondContact O-CB 3.46Å; A487-V547 HydrophobicContact CB-CG2 4.06Å; A487-A560 HydrophobicContact CB-CB 4.27Å
488	M	98.6	Very high	95.9	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.2	177.5	173.8	179.3	161.4	0	0	109.9	A171 V189 M190 F205 M235 L239 Q475 V476	A171-M488 HydrophobicContact CB-CE 3.39Å; A171-M488 HydrophobicContact CB-SD 3.74Å; V189-M488 VanDerWaalsContact O-CA 3.31Å; V189-M488 WeakPolarHBondContact O-CA 2.91Å; M190-M488 HydrophobicContact CB-CB 4.23Å; M190-M488 HydrophobicContact CB-CG 4.32Å; M190-M488 HydrophobicContact CE-CB 4.37Å; M190-M488 HydrophobicContact CE-CG 4.35Å; M190-M488 HydrophobicContact CE-SD 3.49Å; M190-M488 WeakPolarHBondContact CE-SD 3.31Å; M190-M488 HydrophobicContact CG-CB 4.19Å; F205-M488 HydrophobicContact CE2-CE 4.06Å; F205-M488 HydrophobicContact CZ-CE 3.7Å; F205-M488 HydrophobicContact CZ-CG 4.29Å; F205-M488 HydrophobicContact CZ-SD 4.16Å; M235-M488 HydrophobicContact CE-CE 4.01Å; M235-M488 HydrophobicContact SD-CE 3.81Å; L239-M488 HydrophobicContact CD2-CE 3.9Å; L239-M488 HydrophobicContact CD2-SD 3.83Å; Q475-M488 WeakPolarHBondContact CA-O 3.29Å; V476-M488 HydrophobicContact CB-CB 4.26Å; V476-M488 PolarHBondContact N-O 2.74Å; V476-M488 PolarHBondContact O-N 2.92Å
489	V	98.2	Very high	95.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.8	171.5	-170.9	0	0	0	0	108.4	G188 V189 A473 A474 L543 P545	G188-V489 VanDerWaalsContact CA-O 3.32Å; G188-V489 WeakPolarHBondContact CA-O 3.34Å; V189-V489 PolarHBondContact N-O 3.13Å; V189-V489 PolarHBondContact O-N 2.93Å; A473-V489 HydrophobicContact CB-CG1 3.68Å; A474-V489 CarbonylContact O-C 3.55Å; A474-V489 VanDerWaalsContact O-CA 3.25Å; A474-V489 WeakPolarHBondContact O-CA 3.43Å; V489-L543 HydrophobicContact CB-CB 4.29Å; V489-L543 HydrophobicContact CG1-CB 4.24Å; V489-L543 HydrophobicContact CG1-CD2 3.8Å; V489-P545 HydrophobicContact CG2-CB 4.1Å
490	S	97.8	Very high	95.9	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.007	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.9	-176.9	60.2	0	0	0	0	112.1	S182 G187 A473 A474	S182-S490 VanDerWaalsContact OG-CB 3.31Å; S182-S490 WeakPolarHBondContact OG-CB 3.36Å; S182-S490 PolarHBondContact OG-OG 3.2Å; G187-S490 CarbonylContact O-C 3.1Å; G187-S490 VanDerWaalsContact O-CA 3.28Å; G187-S490 WeakPolarHBondContact O-CA 3.37Å; G187-S490 VanDerWaalsContact O-CB 3.28Å; G187-S490 WeakPolarHBondContact O-CB 3.41Å; A473-S490 CarbonylContact C-O 3.58Å; A473-S490 WeakPolarHBondContact CA-O 3.36Å; A474-S490 PolarHBondContact N-O 3.13Å; A474-S490 PolarHBondContact O-N 3.16Å
491	S	97.1	Very high	96.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	163	-173.6	-175.3	0	0	0	0	112.7	S181 G187 A470 T472 N493	S181-S491 VanDerWaalsContact O-CA 3.28Å; S181-S491 WeakPolarHBondContact O-CA 3.34Å; G187-S491 PolarHBondContact N-O 3.43Å; G187-S491 PolarHBondContact O-N 3.25Å; A470-S491 WeakPolarHBondContact CB-OG 3.45Å; T472-S491 WeakPolarHBondContact O-CB 3.33Å; T472-S491 PolarHBondContact O-OG 3.12Å; S491-N493 WeakPolarHBondContact OG-CA 3.48Å; S491-N493 PolarHBondContact OG-N 3.24Å
492	L	96.8	Very high	96.6	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.044	C	C	.	.			trans	-103.7	8.1	163.4	-73.8	166.5	0	0	0	112.6	P179 S181 G497 L507 N509 S510	P179-L492 WeakPolarHBondContact O-CD1 3.39Å; S181-L492 PolarHBondContact O-N 2.98Å; L492-G497 WeakPolarHBondContact O-CA 3.44Å; L492-L507 HydrophobicContact CD1-CD2 3.75Å; L492-L507 HydrophobicContact CD1-CG 4.18Å; L492-N509 HydrophobicContact CD2-CB 4.04Å; L492-N509 WeakPolarHBondContact O-CA 3.47Å; L492-S510 PolarHBondContact O-N 3.12Å; L492-S510 PolarHBondContact O-OG 3.19Å
493	N	94.8	Very high	96.9	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	6%	0.062	C	C	.	.	S	Bend	trans	74.7	-100.5	-162.9	-165.2	-65.7	0	0	0	113.3	A470 P471 S491 D514	A470-N493 HydrophobicContact CB-CB 4.45Å; P471-N493 WeakPolarHBondContact CD-O 3.28Å; S491-N493 WeakPolarHBondContact OG-CA 3.48Å; S491-N493 PolarHBondContact OG-N 3.24Å; N493-D514 PolarHBondContact ND2-OD1 2.92Å; N493-D514 PolarHBondContact ND2-OD2 3.36Å; N493-D514 VanDerWaalsContact ND2-OD2 3.1Å
494	Q	93.4	Very high	97	Very high	69 Å²	69	10.6 Å²	10.6	32%	0.322	6%	0.062	S	C	.	.	S	Bend	trans	-71.6	161.1	177.9	-66	-60.4	-45	0	0	110.7	F496 G497 S510 L513	Q494-F496 PolarHBondContact O-N 3.41Å; Q494-F496 VanDerWaalsContact O-N 3.07Å; Q494-G497 PolarHBondContact O-N 3Å; Q494-S510 WeakPolarHBondContact CB-OG 3.32Å; Q494-S510 PolarHBondContact N-OG 2.65Å; Q494-L513 HydrophobicContact CG-CD1 3.47Å; Q494-L513 VanDerWaalsContact CG-CD1 3.47Å
495	P	95.6	Very high	97	Very high	14 Å²	14	9.7 Å²	9.7	9%	0.091	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	119.9	167.4	-26.8	36.1	0	0	0	110.5	H180 Q279 G497	H180-P495 VanDerWaalsContact O-CA 3.28Å; H180-P495 WeakPolarHBondContact O-CA 3.39Å; Q279-P495 HydrophobicContact CB-CB 3.87Å; Q279-P495 HydrophobicContact CB-CG 4.1Å; P495-G497 PolarHBondContact O-N 3.16Å
496	F	97.3	Very high	97	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	18.5	-175.9	-47.1	-82.2	0	0	0	116.2	P179 H180 L272 A275 L276 P281 F288 Q494 S498 G499 L507	P179-F496 HydrophobicContact CG-CE1 4.5Å; H180-F496 HydrophobicContact CB-CD1 3.96Å; H180-F496 HydrophobicContact CB-CD2 4.2Å; H180-F496 HydrophobicContact CB-CE1 3.58Å; H180-F496 HydrophobicContact CB-CE2 3.83Å; H180-F496 HydrophobicContact CB-CG 4.25Å; H180-F496 HydrophobicContact CB-CZ 3.5Å; H180-F496 VanDerWaalsContact CB-CZ 3.5Å; H180-F496 PolarHBondContact O-N 3.08Å; H180-F496 VanDerWaalsContact O-N 3.14Å; L272-F496 HydrophobicContact CD1-CE1 3.98Å; L272-F496 HydrophobicContact CD1-CZ 4.17Å; A275-F496 HydrophobicContact CB-CE2 3.88Å; A275-F496 HydrophobicContact CB-CZ 3.84Å; L276-F496 HydrophobicContact CD2-CE1 3.67Å; L276-F496 HydrophobicContact CD2-CE2 4.14Å; L276-F496 HydrophobicContact CD2-CZ 3.35Å; L276-F496 HydrophobicContact CG-CE1 4.24Å; L276-F496 HydrophobicContact CG-CZ 3.7Å; P281-F496 HydrophobicContact CG-CB 3.82Å; P281-F496 HydrophobicContact CG-CD2 4.44Å; F288-F496 HydrophobicContact CE2-CB 3.67Å; F288-F496 AromaticContact CE2-CD1 3.77Å; F288-F496 HydrophobicContact CE2-CD1 3.77Å; F288-F496 AromaticContact CE2-CG 3.77Å; F288-F496 HydrophobicContact CE2-CG 3.77Å; F288-F496 HydrophobicContact CZ-CB 4.07Å; F288-F496 AromaticContact CZ-CD1 3.83Å; F288-F496 HydrophobicContact CZ-CD1 3.83Å; F288-F496 HydrophobicContact CZ-CD2 4.17Å; F288-F496 HydrophobicContact CZ-CE1 4.29Å; F288-F496 AromaticContact CZ-CG 3.76Å; F288-F496 HydrophobicContact CZ-CG 3.76Å; Q494-F496 PolarHBondContact O-N 3.41Å; Q494-F496 VanDerWaalsContact O-N 3.07Å; F496-S498 PolarHBondContact O-N 3.02Å; F496-G499 PolarHBondContact O-N 3.16Å; F496-G499 VanDerWaalsContact O-N 3.12Å; F496-L507 HydrophobicContact CB-CD2 4.06Å; F496-L507 HydrophobicContact CD1-CD2 4.36Å; F496-L507 WeakPolarHBondContact O-CD1 3.47Å
497	G	96.4	Very high	97	Very high	6 Å²	6	10.3 Å²	10.3	6%	0.062	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-124.9	177.1	0	0	0	0	0	113.3	L492 Q494 P495 S510	L492-G497 WeakPolarHBondContact O-CA 3.44Å; Q494-G497 PolarHBondContact O-N 3Å; P495-G497 PolarHBondContact O-N 3.16Å; G497-S510 VanDerWaalsContact C-CB 3.49Å; G497-S510 WeakPolarHBondContact CA-OG 3.47Å; G497-S510 WeakPolarHBondContact O-CB 3.37Å; G497-S510 PolarHBondContact O-OG 3.24Å; G497-S510 VanDerWaalsContact O-OG 3.05Å
498	S	96.8	Very high	97	Very high	6 Å²	6	10.4 Å²	10.4	4%	0.042	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.4	178.2	61.5	0	0	0	0	113.5	F496 L500 L508 N509	F496-S498 PolarHBondContact O-N 3.02Å; S498-L500 PolarHBondContact O-N 3.34Å; S498-L500 WeakPolarHBondContact OG-CB 3.4Å; S498-L500 WeakPolarHBondContact OG-CG 3.33Å; S498-L500 PolarHBondContact OG-N 2.89Å; S498-L508 PolarHBondContact N-O 3.28Å; S498-L508 PolarHBondContact OG-O 3.04Å; S498-N509 WeakPolarHBondContact CB-O 3.35Å
499	G	96.8	Very high	97	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	74.4	7	-169.7	0	0	0	0	0	114.6	S285 F496	S285-G499 PolarHBondContact N-O 3.29Å; S285-G499 PolarHBondContact OG-O 3.35Å; F496-G499 PolarHBondContact O-N 3.16Å; F496-G499 VanDerWaalsContact O-N 3.12Å
500	L	98.1	Very high	96.9	Very high	5 Å²	5	10.4 Å²	10.4	3%	0.026	6%	0.062	C	C	.	.			trans	-90	125.4	175.3	-57.8	178	0	0	0	110.2	P226 V230 E338 A342 S498 L507 L508	P226-L500 HydrophobicContact CB-CD1 4.48Å; P226-L500 HydrophobicContact CB-CG 4.46Å; P226-L500 HydrophobicContact CG-CD2 4.1Å; P226-L500 HydrophobicContact CG-CG 4.45Å; V230-L500 HydrophobicContact CG2-CD1 4.26Å; E338-L500 HydrophobicContact CG-CB 4.21Å; A342-L500 HydrophobicContact CB-CD1 3.5Å; A342-L500 VanDerWaalsContact CB-CD1 3.5Å; A342-L500 HydrophobicContact CB-CD2 3.72Å; A342-L500 HydrophobicContact CB-CG 4.26Å; S498-L500 PolarHBondContact O-N 3.34Å; S498-L500 WeakPolarHBondContact OG-CB 3.4Å; S498-L500 WeakPolarHBondContact OG-CG 3.33Å; S498-L500 PolarHBondContact OG-N 2.89Å; L500-L507 WeakPolarHBondContact O-CA 3.39Å; L500-L508 HydrophobicContact CB-CB 4.33Å; L500-L508 HydrophobicContact CB-CD1 4.1Å; L500-L508 HydrophobicContact CB-CG 4.4Å; L500-L508 HydrophobicContact CD1-CD1 4.47Å; L500-L508 PolarHBondContact O-N 3.21Å
501	I	97.9	Very high	96.8	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-116.2	128.5	175.4	-65.1	-172.2	0	0	0	108.4	S285 R287 F288 F292 I506 L507	S285-I501 PolarHBondContact OG-N 3.42Å; R287-I501 HydrophobicContact CB-CB 4Å; R287-I501 HydrophobicContact CB-CG2 4.15Å; R287-I501 WeakPolarHBondContact CD-O 3.32Å; F288-I501 HydrophobicContact CB-CD1 4Å; F288-I501 HydrophobicContact CB-CG1 4.19Å; F288-I501 HydrophobicContact CD2-CD1 3.86Å; F288-I501 HydrophobicContact CD2-CG1 4.15Å; F288-I501 HydrophobicContact CG-CD1 4.3Å; F292-I501 HydrophobicContact CD2-CD1 4.04Å; F292-I501 HydrophobicContact CE2-CD1 3.62Å; I501-I506 WeakPolarHBondContact CA-O 3.37Å; I501-L507 HydrophobicContact CD1-CD1 4.19Å; I501-L507 HydrophobicContact CG1-CB 4.4Å; I501-L507 HydrophobicContact CG1-CD1 3.54Å
502	T	97.9	Very high	96.8	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.006	6%	0.062	C	C	.	.			trans	-70.6	164	175.5	69.7	0	0	0	0	112.2	E334 M335 E338 S504 G505 I506 L508	E334-T502 HydrophobicContact CG-CG2 4.24Å; E334-T502 WeakPolarHBondContact OE1-CB 3.35Å; E334-T502 PolarHBondContact OE1-OG1 2.75Å; M335-T502 HydrophobicContact CB-CG2 4.28Å; M335-T502 HydrophobicContact CG-CG2 3.63Å; E338-T502 HydrophobicContact CB-CG2 4.4Å; T502-S504 PolarHBondContact O-N 2.71Å; T502-G505 PolarHBondContact O-N 3.12Å; T502-G505 PolarHBondContact OG1-N 2.83Å; T502-I506 HydrophobicContact CG2-CB 4.12Å; T502-I506 PolarHBondContact N-O 3.48Å; T502-I506 WeakPolarHBondContact OG1-CB 3.42Å; T502-I506 PolarHBondContact OG1-N 2.97Å; T502-L508 HydrophobicContact CG2-CD2 4.28Å; T502-L508 HydrophobicContact CG2-CG 4.49Å
503	P	96.7	Very high	96.6	Very high	65 Å²	65	10.9 Å²	10.9	42%	0.422	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-37.1	170.9	-29	35.4	0	0	0	114.9	E334 G505	E334-P503 HydrophobicContact CB-CG 4.39Å; P503-G505 VanDerWaalsContact C-N 3.28Å; P503-G505 PolarHBondContact O-N 3.16Å
504	S	96.1	Very high	96.5	Very high	30 Å²	30	11 Å²	11	21%	0.21	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	8.1	176.5	-48.6	0	0	0	0	114.2	D309 V313 E334 T502	D309-S504 CarbonylContact C-O 3.56Å; V313-S504 WeakPolarHBondContact CG2-O 3.37Å; E334-S504 VanDerWaalsContact CD-OG 3.23Å; E334-S504 WeakPolarHBondContact OE1-CB 3.36Å; E334-S504 PolarHBondContact OE1-N 3.04Å; E334-S504 PolarHBondContact OE1-OG 3.02Å; E334-S504 WeakPolarHBondContact OE2-CB 3.38Å; E334-S504 PolarHBondContact OE2-N 3.34Å; E334-S504 VanDerWaalsContact OE2-N 3.17Å; E334-S504 PolarHBondContact OE2-OG 3.34Å; T502-S504 PolarHBondContact O-N 2.71Å
505	G	96.1	Very high	96.5	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.01	5%	0.05	C	C	.	.			trans	91.3	7.2	172.7	0	0	0	0	0	116	R307 D309 L310 T502 P503 L507	R307-G505 PolarHBondContact NH2-O 2.87Å; D309-G505 WeakPolarHBondContact OD2-CA 3.35Å; L310-G505 WeakPolarHBondContact CD2-O 3.26Å; T502-G505 PolarHBondContact O-N 3.12Å; T502-G505 PolarHBondContact OG1-N 2.83Å; P503-G505 VanDerWaalsContact C-N 3.28Å; P503-G505 PolarHBondContact O-N 3.16Å; G505-L507 PolarHBondContact O-N 3.31Å
506	I	98.3	Very high	96.2	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	5%	0.047	C	C	.	.	P	Polyproline II helix	trans	-77.2	119.9	-178.9	-58.3	167.2	0	0	0	109.1	L184 V313 F325 L331 M335 I501 T502 L508	L184-I506 HydrophobicContact CB-CG2 4.3Å; V313-I506 HydrophobicContact CG1-CD1 4.29Å; V313-I506 HydrophobicContact CG1-CG1 4.45Å; V313-I506 HydrophobicContact CG2-CG1 4.43Å; F325-I506 HydrophobicContact CE2-CD1 3.96Å; L331-I506 HydrophobicContact CD2-CD1 4.21Å; M335-I506 HydrophobicContact SD-CD1 4.33Å; M335-I506 HydrophobicContact SD-CG2 4.22Å; I501-I506 WeakPolarHBondContact CA-O 3.37Å; T502-I506 HydrophobicContact CG2-CB 4.12Å; T502-I506 PolarHBondContact N-O 3.48Å; T502-I506 WeakPolarHBondContact OG1-CB 3.42Å; T502-I506 PolarHBondContact OG1-N 2.97Å; I506-L508 HydrophobicContact CG2-CD2 4.33Å
507	L	98.4	Very high	95.8	Very high	13 Å²	13	7.4 Å²	7.4	7%	0.068	5%	0.047	C	C	.	.	B	Isolated β-bridge	trans	-84.3	123.3	175.2	-176.1	64.9	0	0	0	110.1	P179 G185 F288 L492 F496 L500 I501 G505	P179-L507 HydrophobicContact CB-CD2 4.45Å; P179-L507 WeakPolarHBondContact O-CD2 3.26Å; G185-L507 VanDerWaalsContact CA-O 3.25Å; G185-L507 WeakPolarHBondContact CA-O 3.36Å; F288-L507 HydrophobicContact CD2-CD1 4.01Å; F288-L507 HydrophobicContact CE2-CD1 4.27Å; L492-L507 HydrophobicContact CD1-CD2 3.75Å; L492-L507 HydrophobicContact CD1-CG 4.18Å; F496-L507 HydrophobicContact CB-CD2 4.06Å; F496-L507 HydrophobicContact CD1-CD2 4.36Å; F496-L507 WeakPolarHBondContact O-CD1 3.47Å; L500-L507 WeakPolarHBondContact O-CA 3.39Å; I501-L507 HydrophobicContact CD1-CD1 4.19Å; I501-L507 HydrophobicContact CG1-CB 4.4Å; I501-L507 HydrophobicContact CG1-CD1 3.54Å; G505-L507 PolarHBondContact O-N 3.31Å
508	L	98.6	Very high	95.1	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-88	138.1	-174.9	-57.3	-178.3	0	0	0	112.3	V230 M335 A339 S498 L500 T502 I506	V230-L508 HydrophobicContact CG1-CB 4.18Å; V230-L508 HydrophobicContact CG1-CD1 4.32Å; V230-L508 HydrophobicContact CG2-CB 3.98Å; V230-L508 HydrophobicContact CG2-CD1 4.23Å; M335-L508 HydrophobicContact CB-CD2 4.31Å; M335-L508 HydrophobicContact CG-CD2 3.92Å; M335-L508 HydrophobicContact SD-CD2 4.15Å; A339-L508 HydrophobicContact CB-CD1 4.22Å; S498-L508 PolarHBondContact N-O 3.28Å; S498-L508 PolarHBondContact OG-O 3.04Å; L500-L508 HydrophobicContact CB-CB 4.33Å; L500-L508 HydrophobicContact CB-CD1 4.1Å; L500-L508 HydrophobicContact CB-CG 4.4Å; L500-L508 HydrophobicContact CD1-CD1 4.47Å; L500-L508 PolarHBondContact O-N 3.21Å; T502-L508 HydrophobicContact CG2-CD2 4.28Å; T502-L508 HydrophobicContact CG2-CG 4.49Å; I506-L508 HydrophobicContact CG2-CD2 4.33Å
509	N	98.3	Very high	94	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-62	165.9	178	68.1	77.4	0	0	0	113.6	G185 G231 L492 S498 Q511	G185-N509 VanDerWaalsContact O-CB 3.3Å; G185-N509 WeakPolarHBondContact O-CB 3.35Å; G185-N509 PolarHBondContact O-N 3.09Å; G185-N509 VanDerWaalsContact O-N 3.13Å; G185-N509 PolarHBondContact O-ND2 3.29Å; G231-N509 PolarHBondContact N-OD1 3.49Å; G231-N509 PolarHBondContact O-ND2 3.33Å; L492-N509 HydrophobicContact CD2-CB 4.04Å; L492-N509 WeakPolarHBondContact O-CA 3.47Å; S498-N509 WeakPolarHBondContact CB-O 3.35Å; N509-Q511 HydrophobicContact CB-CB 4.17Å; N509-Q511 WeakPolarHBondContact OD1-CB 3.35Å; N509-Q511 PolarHBondContact OD1-N 2.68Å
510	S	96.8	Very high	93	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.007	10%	0.099	C	C	.	.			trans	-115.2	36.6	166.1	49.3	0	0	0	0	111.4	L229 L492 Q494 G497 M512 L513	L229-S510 CarbonylContact O-C 3.44Å; L229-S510 WeakPolarHBondContact O-CA 3.28Å; L492-S510 PolarHBondContact O-N 3.12Å; L492-S510 PolarHBondContact O-OG 3.19Å; Q494-S510 WeakPolarHBondContact CB-OG 3.32Å; Q494-S510 PolarHBondContact N-OG 2.65Å; G497-S510 VanDerWaalsContact C-CB 3.49Å; G497-S510 WeakPolarHBondContact CA-OG 3.47Å; G497-S510 WeakPolarHBondContact O-CB 3.37Å; G497-S510 PolarHBondContact O-OG 3.24Å; G497-S510 VanDerWaalsContact O-OG 3.05Å; S510-M512 PolarHBondContact O-N 2.97Å; S510-M512 VanDerWaalsContact O-N 3.11Å; S510-L513 VanDerWaalsContact O-CB 3.28Å; S510-L513 WeakPolarHBondContact O-CB 3.47Å; S510-L513 WeakPolarHBondContact O-CG 3.32Å; S510-L513 PolarHBondContact O-N 2.94Å
511	Q	95.8	Very high	91.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-64.8	-20.9	-165.7	-170.4	52.7	49.5	0	0	114.6	R206 E207 L229 N509 L513 D514 P539	R206-Q511 VanDerWaalsContact CZ-CD 3.45Å; R206-Q511 VanDerWaalsContact NH1-CD 3.34Å; E207-Q511 HydrophobicContact CB-CB 4.04Å; E207-Q511 HydrophobicContact CB-CG 3.74Å; E207-Q511 VanDerWaalsContact CD-CG 3.47Å; E207-Q511 HydrophobicContact CG-CB 4.16Å; E207-Q511 HydrophobicContact CG-CG 4.06Å; E207-Q511 WeakPolarHBondContact OE2-CG 3.5Å; L229-Q511 PolarHBondContact O-N 2.91Å; N509-Q511 HydrophobicContact CB-CB 4.17Å; N509-Q511 WeakPolarHBondContact OD1-CB 3.35Å; N509-Q511 PolarHBondContact OD1-N 2.68Å; Q511-L513 PolarHBondContact O-N 3.11Å; Q511-L513 VanDerWaalsContact O-N 3.15Å; Q511-D514 PolarHBondContact NE2-OD2 3.43Å; Q511-D514 PolarHBondContact O-N 3.25Å; Q511-D514 VanDerWaalsContact O-N 3.07Å; Q511-P539 HydrophobicContact CG-CG 4.08Å
512	M	95.4	Very high	89.4	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-64.4	-17.6	175.1	-58.3	-60.3	88.8	0	0	112.5	A209 L213 L229 S510 D514 F515 W517	A209-M512 HydrophobicContact CB-CE 4.42Å; A209-M512 HydrophobicContact CB-SD 3.78Å; L213-M512 HydrophobicContact CD2-CB 4.42Å; L213-M512 HydrophobicContact CD2-CG 3.74Å; L213-M512 HydrophobicContact CD2-SD 3.51Å; L213-M512 VanDerWaalsContact CD2-SD 3.51Å; L229-M512 WeakPolarHBondContact O-CG 3.33Å; L229-M512 PolarHBondContact O-N 2.88Å; S510-M512 PolarHBondContact O-N 2.97Å; S510-M512 VanDerWaalsContact O-N 3.11Å; M512-D514 PolarHBondContact O-N 2.84Å; M512-D514 VanDerWaalsContact O-N 3.13Å; M512-F515 HydrophobicContact CE-CD2 4.29Å; M512-F515 HydrophobicContact CE-CE2 3.8Å; M512-F515 PolarHBondContact O-N 3.32Å; M512-F515 VanDerWaalsContact O-N 3.13Å; M512-F515 HydrophobicContact SD-CD2 4.04Å; M512-F515 HydrophobicContact SD-CE2 3.81Å; M512-W517 VanDerWaalsContact O-CZ3 3.26Å; M512-W517 WeakPolarHBondContact O-CZ3 3.31Å
513	L	92.9	Very high	87.5	Confident	12 Å²	12	28.1 Å²	28.1	6%	0.063	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-67.4	2	170.3	-63.4	175.4	0	0	0	114.2	W222 L229 Q494 S510 Q511 W517 R520	W222-L513 HydrophobicContact CE3-CD2 3.81Å; W222-L513 HydrophobicContact CZ3-CD2 3.78Å; L229-L513 HydrophobicContact CD1-CD1 4.28Å; L229-L513 HydrophobicContact CD1-CG 4.43Å; L229-L513 HydrophobicContact CD2-CD2 3.78Å; L229-L513 HydrophobicContact CD2-CG 4.06Å; Q494-L513 HydrophobicContact CG-CD1 3.47Å; Q494-L513 VanDerWaalsContact CG-CD1 3.47Å; S510-L513 VanDerWaalsContact O-CB 3.28Å; S510-L513 WeakPolarHBondContact O-CB 3.47Å; S510-L513 WeakPolarHBondContact O-CG 3.32Å; S510-L513 PolarHBondContact O-N 2.94Å; Q511-L513 PolarHBondContact O-N 3.11Å; Q511-L513 VanDerWaalsContact O-N 3.15Å; L513-W517 HydrophobicContact CD2-CH2 4.11Å; L513-R520 PolarHBondContact O-NH1 3.46Å; L513-R520 PolarHBondContact O-NH2 3.17Å
514	D	92.8	Very high	85.4	Confident	3 Å²	3	33 Å²	33	2%	0.016	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-97.7	-4.2	168.8	-74.2	-13.1	0	0	0	112.8	R206 G469 A470 N493 Q511 M512 N531 P539	R206-D514 IonicContact CZ-OD2 3.44Å; R206-D514 IonicContact NH1-OD2 3.72Å; R206-D514 IonicContact NH2-OD2 2.71Å; R206-D514 PolarHBondContact NH2-OD2 2.89Å; G469-D514 VanDerWaalsContact CA-OD1 3.28Å; G469-D514 WeakPolarHBondContact CA-OD1 3.46Å; A470-D514 PolarHBondContact N-OD1 3.25Å; N493-D514 PolarHBondContact ND2-OD1 2.92Å; N493-D514 PolarHBondContact ND2-OD2 3.36Å; N493-D514 VanDerWaalsContact ND2-OD2 3.1Å; Q511-D514 PolarHBondContact NE2-OD2 3.43Å; Q511-D514 PolarHBondContact O-N 3.25Å; Q511-D514 VanDerWaalsContact O-N 3.07Å; M512-D514 PolarHBondContact O-N 2.84Å; M512-D514 VanDerWaalsContact O-N 3.13Å; D514-N531 PolarHBondContact O-ND2 3.49Å; D514-P539 HydrophobicContact CB-CB 3.63Å; D514-P539 HydrophobicContact CB-CG 3.92Å
515	F	93.4	Very high	83.9	Confident	1 Å²	1	33.1 Å²	33.1	0%	0.004	19%	0.189	C	C	.	.	S	Bend	trans	-80.7	154.5	170.6	-74.6	-71.4	0	0	0	112.1	A209 M512 W517 R520 N531 S532 V533 K537 P539	A209-F515 HydrophobicContact CB-CE2 3.89Å; A209-F515 HydrophobicContact CB-CZ 4.11Å; M512-F515 HydrophobicContact CE-CD2 4.29Å; M512-F515 HydrophobicContact CE-CE2 3.8Å; M512-F515 PolarHBondContact O-N 3.32Å; M512-F515 VanDerWaalsContact O-N 3.13Å; M512-F515 HydrophobicContact SD-CD2 4.04Å; M512-F515 HydrophobicContact SD-CE2 3.81Å; F515-W517 HydrophobicContact CB-CE3 4.15Å; F515-W517 HydrophobicContact CB-CZ3 4.06Å; F515-W517 WeakPolarHBondContact O-CZ3 3.13Å; F515-R520 PolarHBondContact O-NH1 3.07Å; F515-N531 WeakPolarHBondContact CD1-O 3.5Å; F515-S532 WeakPolarHBondContact CD1-O 3.44Å; F515-V533 HydrophobicContact CB-CB 4.2Å; F515-V533 HydrophobicContact CB-CG2 4.34Å; F515-V533 HydrophobicContact CD1-CB 4.36Å; F515-V533 HydrophobicContact CD1-CG2 4.41Å; F515-V533 HydrophobicContact CD2-CB 4.33Å; F515-V533 HydrophobicContact CD2-CG2 3.65Å; F515-V533 HydrophobicContact CE2-CG2 3.97Å; F515-V533 HydrophobicContact CG-CB 4.05Å; F515-V533 HydrophobicContact CG-CG2 3.88Å; F515-V533 HydrophobicContact CZ-CG2 4.48Å; F515-K537 HydrophobicContact CE1-CB 4.3Å; F515-K537 HydrophobicContact CE1-CD 4.06Å; F515-K537 HydrophobicContact CE1-CG 4.04Å; F515-K537 HydrophobicContact CZ-CB 4.17Å; F515-K537 HydrophobicContact CZ-CG 4.32Å; F515-K537 WeakPolarHBondContact CZ-O 3.35Å; F515-P539 HydrophobicContact CD1-CB 3.95Å; F515-P539 HydrophobicContact CD2-CB 3.82Å; F515-P539 HydrophobicContact CD2-CG 4.37Å; F515-P539 HydrophobicContact CE1-CB 3.88Å; F515-P539 HydrophobicContact CE2-CB 3.74Å; F515-P539 HydrophobicContact CE2-CG 4Å; F515-P539 HydrophobicContact CG-CB 3.93Å; F515-P539 HydrophobicContact CZ-CB 3.78Å; F515-P539 HydrophobicContact CZ-CG 4.23Å
516	S	89.8	Confident	83	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.021	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-94.1	136.8	172	-60.5	0	0	0	0	111	S528 N531	S516-S528 WeakPolarHBondContact CB-O 3.42Å; S516-N531 PolarHBondContact N-O 3.19Å
517	W	87.6	Confident	82.2	Confident	3 Å²	3	37.5 Å²	37.5	1%	0.011	22%	0.222	C	C	.	.			trans	-150.5	155.5	168.3	61.4	88.6	0	0	0	111.2	E215 L218 Q219 W222 M512 L513 F515 R520	E215-W517 HydrophobicContact CG-CB 3.7Å; L218-W517 HydrophobicContact CD1-CE3 4.43Å; Q219-W517 HydrophobicContact CG-CB 4.48Å; Q219-W517 HydrophobicContact CG-CG 4.36Å; W222-W517 HydrophobicContact CD2-CZ2 4.35Å; W222-W517 HydrophobicContact CG-CZ2 4.21Å; M512-W517 VanDerWaalsContact O-CZ3 3.26Å; M512-W517 WeakPolarHBondContact O-CZ3 3.31Å; L513-W517 HydrophobicContact CD2-CH2 4.11Å; F515-W517 HydrophobicContact CB-CE3 4.15Å; F515-W517 HydrophobicContact CB-CZ3 4.06Å; F515-W517 WeakPolarHBondContact O-CZ3 3.13Å; W517-R520 HydrophobicContact CD2-CB 4.26Å; W517-R520 HydrophobicContact CD2-CG 4.33Å; W517-R520 HydrophobicContact CG-CB 4.31Å; W517-R520 HydrophobicContact CH2-CG 4.25Å; W517-R520 HydrophobicContact CZ2-CB 4.28Å; W517-R520 HydrophobicContact CZ2-CG 3.58Å; W517-R520 WeakPolarHBondContact O-CB 3.37Å
518	P	83.6	Confident	81.6	Confident	49 Å²	49	37 Å²	37	32%	0.318	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	144.2	178.3	-24.5	33	0	0	0	113.8	E215 R520 P527	E215-P518 WeakPolarHBondContact OE1-CD 3.42Å; P518-R520 PolarHBondContact O-N 3.16Å; P518-P527 HydrophobicContact CG-CG 4.31Å
519	N	73.7	Confident	81.1	Confident	144 Å²	144	43.2 Å²	43.2	77%	0.77	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	22	175.2	-56.1	-33.6	0	0	0	115.3
520	R	75.9	Confident	80.7	Confident	26 Å²	26	45.3 Å²	45.3	10%	0.098	26%	0.262	C	S	.	.			trans	-71.5	-52.6	174.5	-177.4	-173	150.6	160.1	-1	112.2	E466 D468 L513 F515 W517 P518	E466-R520 VanDerWaalsContact OE1-CD 3.28Å; E466-R520 WeakPolarHBondContact OE1-CD 3.39Å; E466-R520 IonicContact OE1-CZ 3.82Å; E466-R520 IonicContact OE1-NE 2.82Å; E466-R520 PolarHBondContact OE1-NE 3.43Å; D468-R520 VanDerWaalsContact CB-NH2 3.29Å; D468-R520 IonicContact OD2-CZ 3Å; D468-R520 VanDerWaalsContact OD2-CZ 3.32Å; D468-R520 IonicContact OD2-NE 3.85Å; D468-R520 PolarHBondContact OD2-NE 3.16Å; D468-R520 IonicContact OD2-NH2 3.75Å; D468-R520 PolarHBondContact OD2-NH2 2.94Å; L513-R520 PolarHBondContact O-NH1 3.46Å; L513-R520 PolarHBondContact O-NH2 3.17Å; F515-R520 PolarHBondContact O-NH1 3.07Å; W517-R520 HydrophobicContact CD2-CB 4.26Å; W517-R520 HydrophobicContact CD2-CG 4.33Å; W517-R520 HydrophobicContact CG-CB 4.31Å; W517-R520 HydrophobicContact CH2-CG 4.25Å; W517-R520 HydrophobicContact CZ2-CB 4.28Å; W517-R520 HydrophobicContact CZ2-CG 3.58Å; W517-R520 WeakPolarHBondContact O-CB 3.37Å; P518-R520 PolarHBondContact O-N 3.16Å
521	T	65.1	Low	80.5	Confident	30 Å²	30	45.4 Å²	45.4	18%	0.184	26%	0.262	C	S	.	.	S	Bend	trans	-98.8	144.3	-178.5	55.1	0	0	0	0	111.1	E466 N523 H524	E466-T521 HydrophobicContact CG-CG2 4.27Å; E466-T521 VanDerWaalsContact OE1-CG2 3.26Å; E466-T521 WeakPolarHBondContact OE1-CG2 3.22Å; E466-T521 WeakPolarHBondContact OE2-CG2 3.37Å; E466-T521 PolarHBondContact OE2-OG1 3.16Å; T521-N523 PolarHBondContact O-N 2.62Å; T521-N523 VanDerWaalsContact O-N 3.16Å; T521-H524 PolarHBondContact O-N 2.62Å
522	A	54.8	Low	80.3	Confident	94 Å²	94	46.3 Å²	46.3	78%	0.777	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.6	176.4	0	0	0	0	0	112.9	H524	A522-H524 VanDerWaalsContact C-N 3.27Å; A522-H524 PolarHBondContact O-N 3.09Å
523	N	57	Low	80.2	Confident	112 Å²	112	46.9 Å²	46.9	60%	0.599	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	5.9	-175.3	-74.2	-6.6	0	0	0	114.4	T521 S525	T521-N523 PolarHBondContact O-N 2.62Å; T521-N523 VanDerWaalsContact O-N 3.16Å; N523-S525 PolarHBondContact O-N 2.76Å
524	H	53.4	Low	80.2	Confident	167 Å²	167	49.8 Å²	49.8	77%	0.773	29%	0.285	S	S	*	.			trans	51.8	27.5	178.6	-60.4	-64.7	0	0	0	114.4	T521 A522	T521-H524 PolarHBondContact O-N 2.62Å; A522-H524 VanDerWaalsContact C-N 3.27Å; A522-H524 PolarHBondContact O-N 3.09Å
525	S	64.8	Low	80.3	Confident	34 Å²	34	52.5 Å²	52.5	24%	0.238	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-62	144.6	176.9	-69.5	0	0	0	0	110.1	N523	N523-S525 PolarHBondContact O-N 2.76Å
526	A	76.4	Confident	80.4	Confident	54 Å²	54	54 Å²	54	45%	0.446	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-66.9	128	177.3	0	0	0	0	0	109.3	Y465 E466	Y465-A526 HydrophobicContact CD1-CB 4.2Å; Y465-A526 HydrophobicContact CE1-CB 4.47Å; E466-A526 PolarHBondContact N-O 3.1Å
527	P	81.8	Confident	80.7	Confident	40 Å²	40	54 Å²	54	26%	0.26	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-67.2	140.6	174.9	28.3	-33.5	0	0	0	109.7	P518	P518-P527 HydrophobicContact CG-CG 4.31Å
528	S	85.9	Confident	81.1	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.014	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-73.1	128.4	167.9	166	0	0	0	0	109.3	S516 E530 N531 S532	S516-S528 WeakPolarHBondContact CB-O 3.42Å; S528-E530 PolarHBondContact OG-N 2.97Å; S528-E530 PolarHBondContact OG-OE2 3.5Å; S528-N531 CarbonylContact O-C 3.47Å; S528-N531 PolarHBondContact OG-N 2.92Å; S528-S532 PolarHBondContact O-N 3.45Å
529	L	87.1	Confident	81.7	Confident	133 Å²	133	52.2 Å²	52.2	70%	0.696	31%	0.305	S	S	*	.	S	Bend	trans	-76.2	-34.2	175	-65.2	176.8	0	0	0	110.5	N531 S532	L529-N531 PolarHBondContact O-N 3.29Å; L529-S532 VanDerWaalsContact O-CB 3.29Å; L529-S532 WeakPolarHBondContact O-CB 3.41Å; L529-S532 PolarHBondContact O-N 3.18Å; L529-S532 VanDerWaalsContact O-N 3.12Å; L529-S532 PolarHBondContact O-OG 2.89Å
530	E	89.8	Confident	82.7	Confident	44 Å²	44	45.6 Å²	45.6	21%	0.206	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-33	175.8	-59.5	76.7	-164	0	0	111.3	I431 S528 K537	I431-E530 HydrophobicContact CD1-CB 3.9Å; I431-E530 HydrophobicContact CD1-CG 3.95Å; S528-E530 PolarHBondContact OG-N 2.97Å; S528-E530 PolarHBondContact OG-OE2 3.5Å; E530-K537 WeakPolarHBondContact O-CE 3.28Å; E530-K537 PolarHBondContact O-NZ 2.92Å
531	N	93.3	Very high	83.6	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.016	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	27.7	176.1	-168.7	39.9	0	0	0	113.1	D514 F515 S516 S528 L529 L540	D514-N531 PolarHBondContact O-ND2 3.49Å; F515-N531 WeakPolarHBondContact CD1-O 3.5Å; S516-N531 PolarHBondContact N-O 3.19Å; S528-N531 CarbonylContact O-C 3.47Å; S528-N531 PolarHBondContact OG-N 2.92Å; L529-N531 PolarHBondContact O-N 3.29Å; N531-L540 HydrophobicContact CB-CB 4.32Å; N531-L540 VanDerWaalsContact CG-CB 3.49Å; N531-L540 WeakPolarHBondContact ND2-CB 3.35Å; N531-L540 WeakPolarHBondContact OD1-CB 3.28Å; N531-L540 PolarHBondContact OD1-N 3.26Å
532	S	92.4	Very high	85	Confident	19 Å²	19	43.6 Å²	43.6	13%	0.133	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-69.3	152.3	169.9	57.8	0	0	0	0	112.1	F515 S528 L529 K537	F515-S532 WeakPolarHBondContact CD1-O 3.44Å; S528-S532 PolarHBondContact O-N 3.45Å; L529-S532 VanDerWaalsContact O-CB 3.29Å; L529-S532 WeakPolarHBondContact O-CB 3.41Å; L529-S532 PolarHBondContact O-N 3.18Å; L529-S532 VanDerWaalsContact O-N 3.12Å; L529-S532 PolarHBondContact O-OG 2.89Å; S532-K537 PolarHBondContact O-NZ 2.9Å
533	V	92.7	Very high	86.9	Confident	12 Å²	12	39.4 Å²	39.4	7%	0.073	22%	0.224	C	C	.	.			trans	-70.1	129.3	179.4	88.6	0	0	0	0	110.8	A209 L213 E215 L218 F515	A209-V533 HydrophobicContact CB-CG2 4.36Å; L213-V533 HydrophobicContact CD2-CG2 3.83Å; L213-V533 HydrophobicContact CG-CG2 4.4Å; E215-V533 HydrophobicContact CB-CG1 3.77Å; E215-V533 HydrophobicContact CG-CG1 4.2Å; L218-V533 HydrophobicContact CD1-CB 4.34Å; L218-V533 HydrophobicContact CD1-CG1 4.18Å; L218-V533 HydrophobicContact CD1-CG2 4.04Å; F515-V533 HydrophobicContact CB-CB 4.2Å; F515-V533 HydrophobicContact CB-CG2 4.34Å; F515-V533 HydrophobicContact CD1-CB 4.36Å; F515-V533 HydrophobicContact CD1-CG2 4.41Å; F515-V533 HydrophobicContact CD2-CB 4.33Å; F515-V533 HydrophobicContact CD2-CG2 3.65Å; F515-V533 HydrophobicContact CE2-CG2 3.97Å; F515-V533 HydrophobicContact CG-CB 4.05Å; F515-V533 HydrophobicContact CG-CG2 3.88Å; F515-V533 HydrophobicContact CZ-CG2 4.48Å
534	Q	93.1	Very high	88.7	Confident	73 Å²	73	34.1 Å²	34.1	34%	0.341	20%	0.196	S	C	.	.			trans	-143.7	146	173.8	-62.4	-177.4	32.9	0	0	110.3	A209 Y427 G536 K537	A209-Q534 VanDerWaalsContact CB-O 3.27Å; A209-Q534 WeakPolarHBondContact CB-O 3.31Å; Y427-Q534 HydrophobicContact CD1-CB 4.46Å; Y427-Q534 HydrophobicContact CE1-CB 4.49Å; Q534-G536 PolarHBondContact O-N 3.48Å; Q534-K537 HydrophobicContact CB-CB 4.03Å; Q534-K537 HydrophobicContact CB-CD 3.94Å; Q534-K537 HydrophobicContact CG-CD 4.2Å; Q534-K537 WeakPolarHBondContact O-CB 3.44Å; Q534-K537 PolarHBondContact O-N 3.26Å; Q534-K537 VanDerWaalsContact O-N 3.09Å
535	P	94.3	Very high	90.9	Very high	60 Å²	60	26.2 Å²	26.2	39%	0.39	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	124.7	175	-34.6	40.8	0	0	0	113.7	G211 Y427 K537	G211-P535 WeakPolarHBondContact O-CG 3.4Å; Y427-P535 PolarHBondContact OH-O 3.15Å; P535-K537 PolarHBondContact O-N 2.86Å
536	G	95.4	Very high	92.5	Very high	33 Å²	33	24.6 Å²	24.6	34%	0.34	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-10.3	178.1	0	0	0	0	0	115.7	S208 A209 Y427 Q534	S208-G536 WeakPolarHBondContact CB-O 3.43Å; A209-G536 WeakPolarHBondContact O-CA 3.42Å; A209-G536 PolarHBondContact O-N 3.15Å; Y427-G536 WeakPolarHBondContact OH-CA 3.21Å; Q534-G536 PolarHBondContact O-N 3.48Å
537	K	96.4	Very high	93.5	Very high	2 Å²	2	22 Å²	22	1%	0.009	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-69.2	150.3	-178.3	-169.3	174.1	174.1	-174.4	0	111.6	S208 A209 D424 Y427 F515 E530 S532 Q534 P535	S208-K537 WeakPolarHBondContact CA-O 3.49Å; A209-K537 PolarHBondContact N-O 2.71Å; D424-K537 HydrophobicContact CB-CD 4.22Å; D424-K537 HydrophobicContact CB-CG 3.54Å; Y427-K537 HydrophobicContact CD1-CB 4.46Å; Y427-K537 HydrophobicContact CD2-CB 4.04Å; Y427-K537 HydrophobicContact CD2-CD 4.34Å; Y427-K537 HydrophobicContact CD2-CG 3.78Å; Y427-K537 HydrophobicContact CE1-CB 4.25Å; Y427-K537 HydrophobicContact CE2-CB 3.85Å; Y427-K537 HydrophobicContact CE2-CG 4.08Å; Y427-K537 HydrophobicContact CG-CB 4.36Å; Y427-K537 HydrophobicContact CG-CD 4.12Å; Y427-K537 HydrophobicContact CG-CG 4.07Å; Y427-K537 PolarHBondContact OH-N 3.13Å; F515-K537 HydrophobicContact CE1-CB 4.3Å; F515-K537 HydrophobicContact CE1-CD 4.06Å; F515-K537 HydrophobicContact CE1-CG 4.04Å; F515-K537 HydrophobicContact CZ-CB 4.17Å; F515-K537 HydrophobicContact CZ-CG 4.32Å; F515-K537 WeakPolarHBondContact CZ-O 3.35Å; E530-K537 WeakPolarHBondContact O-CE 3.28Å; E530-K537 PolarHBondContact O-NZ 2.92Å; S532-K537 PolarHBondContact O-NZ 2.9Å; Q534-K537 HydrophobicContact CB-CB 4.03Å; Q534-K537 HydrophobicContact CB-CD 3.94Å; Q534-K537 HydrophobicContact CG-CD 4.2Å; Q534-K537 WeakPolarHBondContact O-CB 3.44Å; Q534-K537 PolarHBondContact O-N 3.26Å; Q534-K537 VanDerWaalsContact O-N 3.09Å; P535-K537 PolarHBondContact O-N 2.86Å
538	R	96.3	Very high	94.3	Very high	14 Å²	14	20.1 Å²	20.1	5%	0.053	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-98.4	134.5	171.2	-66.6	171.2	-176.1	-153.2	-5.8	110.4	D204 R206 S355 L357 P377 D424	D204-R538 PolarHBondContact O-NH1 3.15Å; D204-R538 IonicContact OD1-NH1 3.89Å; D204-R538 PolarHBondContact OD1-NH1 3.17Å; D204-R538 IonicContact OD2-CZ 3.21Å; D204-R538 IonicContact OD2-NH1 3.34Å; D204-R538 PolarHBondContact OD2-NH1 3.01Å; R206-R538 HydrophobicContact CG-CB 4.33Å; S355-R538 PolarHBondContact O-NH2 3.22Å; L357-R538 VanDerWaalsContact CD1-NH1 3.34Å; P377-R538 HydrophobicContact CG-CB 3.93Å; D424-R538 PolarHBondContact OD2-N 2.72Å
539	P	95.3	Very high	94.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-76	155.4	179.6	30.4	-33.9	0	0	0	112	E207 Q511 D514 F515	E207-P539 WeakPolarHBondContact O-CD 3.12Å; Q511-P539 HydrophobicContact CG-CG 4.08Å; D514-P539 HydrophobicContact CB-CB 3.63Å; D514-P539 HydrophobicContact CB-CG 3.92Å; F515-P539 HydrophobicContact CD1-CB 3.95Å; F515-P539 HydrophobicContact CD2-CB 3.82Å; F515-P539 HydrophobicContact CD2-CG 4.37Å; F515-P539 HydrophobicContact CE1-CB 3.88Å; F515-P539 HydrophobicContact CE2-CB 3.74Å; F515-P539 HydrophobicContact CE2-CG 4Å; F515-P539 HydrophobicContact CG-CB 3.93Å; F515-P539 HydrophobicContact CZ-CB 3.78Å; F515-P539 HydrophobicContact CZ-CG 4.23Å
540	L	94.9	Very high	95.2	Very high	6 Å²	6	15.4 Å²	15.4	3%	0.031	9%	0.088	C	C	.	.			trans	-45.5	143.4	169.3	178.8	62.3	0	0	0	111.1	R206 P377 T379 L422 L467 N531	R206-L540 PolarHBondContact NH2-O 2.81Å; P377-L540 WeakPolarHBondContact O-CA 3.37Å; P377-L540 WeakPolarHBondContact O-CD1 3.44Å; T379-L540 HydrophobicContact CG2-CD1 3.68Å; T379-L540 HydrophobicContact CG2-CG 4.47Å; L422-L540 HydrophobicContact CB-CD1 3.69Å; L467-L540 HydrophobicContact CD2-CD2 4.36Å; N531-L540 HydrophobicContact CB-CB 4.32Å; N531-L540 VanDerWaalsContact CG-CB 3.49Å; N531-L540 WeakPolarHBondContact ND2-CB 3.35Å; N531-L540 WeakPolarHBondContact OD1-CB 3.28Å; N531-L540 PolarHBondContact OD1-N 3.26Å
541	S	94.5	Very high	95.3	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.007	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-142.8	138.6	-171.5	-177.5	0	0	0	0	113.9	R206 P377 H378 T379 L543	R206-S541 VanDerWaalsContact NH2-CB 3.29Å; R206-S541 PolarHBondContact NH2-OG 3.46Å; P377-S541 PolarHBondContact O-N 2.96Å; H378-S541 WeakPolarHBondContact CA-O 3.32Å; H378-S541 WeakPolarHBondContact ND1-CB 3.49Å; H378-S541 PolarHBondContact ND1-OG 3.38Å; H378-S541 VanDerWaalsContact ND1-OG 3.11Å; T379-S541 WeakPolarHBondContact CG2-O 3.44Å; T379-S541 PolarHBondContact N-O 3.12Å; T379-S541 PolarHBondContact OG1-O 2.74Å; S541-L543 WeakPolarHBondContact OG-CB 3.49Å; S541-L543 WeakPolarHBondContact OG-CG 3.49Å; S541-L543 PolarHBondContact OG-N 2.85Å; S541-L543 VanDerWaalsContact OG-N 3.14Å
542	F	94.6	Very high	94.9	Very high	13 Å²	13	21.6 Å²	21.6	6%	0.057	12%	0.12	C	C	.	.			trans	-103.6	16.9	170.1	-72.4	-84.4	0	0	0	112.8	T379 L416 A419 L467 L544 A566 A567 L570	T379-F542 HydrophobicContact CG2-CD1 3.97Å; T379-F542 HydrophobicContact CG2-CE1 3.69Å; T379-F542 HydrophobicContact CG2-CE2 4.35Å; T379-F542 HydrophobicContact CG2-CG 4.42Å; T379-F542 HydrophobicContact CG2-CZ 3.9Å; T379-F542 WeakPolarHBondContact OG1-CD1 3.44Å; L416-F542 HydrophobicContact CD2-CE1 4.3Å; A419-F542 HydrophobicContact CB-CE1 4.33Å; A419-F542 HydrophobicContact CB-CZ 4.32Å; L467-F542 HydrophobicContact CD2-CE2 4.02Å; L467-F542 HydrophobicContact CD2-CZ 3.71Å; F542-L544 PolarHBondContact O-N 3.21Å; F542-A566 VanDerWaalsContact CB-C 3.44Å; F542-A566 HydrophobicContact CB-CB 4.11Å; F542-A566 HydrophobicContact CD2-CB 4.33Å; F542-A566 HydrophobicContact CG-CB 4.35Å; F542-A567 HydrophobicContact CD1-CB 4.31Å; F542-A567 HydrophobicContact CE1-CB 3.92Å; F542-A567 HydrophobicContact CE2-CB 4.42Å; F542-A567 HydrophobicContact CZ-CB 3.98Å; F542-L570 HydrophobicContact CD1-CB 4.37Å; F542-L570 HydrophobicContact CE1-CD1 4.23Å
543	L	95.4	Very high	94.4	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.026	16%	0.155	C	C	.	.			trans	-74.7	103.4	168.9	-54	-176.8	0	0	0	108.2	V189 A473 V489 S541 P545	V189-L543 HydrophobicContact CG2-CB 4.12Å; A473-L543 HydrophobicContact CB-CD2 3.73Å; V489-L543 HydrophobicContact CB-CB 4.29Å; V489-L543 HydrophobicContact CG1-CB 4.24Å; V489-L543 HydrophobicContact CG1-CD2 3.8Å; S541-L543 WeakPolarHBondContact OG-CB 3.49Å; S541-L543 WeakPolarHBondContact OG-CG 3.49Å; S541-L543 PolarHBondContact OG-N 2.85Å; S541-L543 VanDerWaalsContact OG-N 3.14Å; L543-P545 VanDerWaalsContact C-CD 3.41Å; L543-P545 WeakPolarHBondContact O-CD 3.33Å
544	L	95.7	Very high	94	Very high	2 Å²	2	29 Å²	29	1%	0.01	18%	0.177	C	C	.	.			trans	-122.5	62.6	-167.9	-68.3	173.9	0	0	0	113.2	G380 F542 T546 L570 L573	G380-L544 VanDerWaalsContact N-CD2 3.32Å; F542-L544 PolarHBondContact O-N 3.21Å; L544-T546 PolarHBondContact O-N 2.96Å; L544-T546 VanDerWaalsContact O-N 3.14Å; L544-T546 PolarHBondContact O-OG1 3.4Å; L544-T546 VanDerWaalsContact O-OG1 3.05Å; L544-L570 HydrophobicContact CD1-CB 3.85Å; L544-L570 HydrophobicContact CD1-CD1 4.23Å; L544-L570 HydrophobicContact CD1-CG 4.17Å; L544-L573 HydrophobicContact CB-CD1 3.7Å; L544-L573 HydrophobicContact CD1-CD1 4.31Å; L544-L573 WeakPolarHBondContact O-CD1 3.48Å
545	P	98	Very high	93.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.203	C	C	.	.			trans	-57.7	121.3	167.5	27	-34.2	0	0	0	109.3	V189 L191 P374 A487 V489 L543	V189-P545 HydrophobicContact CB-CG 3.9Å; V189-P545 HydrophobicContact CG1-CG 3.88Å; L191-P545 HydrophobicContact CB-CB 4.18Å; L191-P545 HydrophobicContact CB-CG 4.3Å; L191-P545 WeakPolarHBondContact CD2-O 3.26Å; P374-P545 WeakPolarHBondContact CD-O 3.04Å; P374-P545 HydrophobicContact CG-CG 3.78Å; A487-P545 HydrophobicContact CB-CB 3.66Å; A487-P545 WeakPolarHBondContact O-CB 3.46Å; V489-P545 HydrophobicContact CG2-CB 4.1Å; L543-P545 VanDerWaalsContact C-CD 3.41Å; L543-P545 WeakPolarHBondContact O-CD 3.33Å
546	T	98.7	Very high	93.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.9	-173	-60.4	0	0	0	0	109.7	V371 L372 L383 L544 L561 L577	V371-T546 HydrophobicContact CG1-CG2 3.87Å; L372-T546 WeakPolarHBondContact O-CA 3.05Å; L383-T546 HydrophobicContact CD2-CG2 4.15Å; L544-T546 PolarHBondContact O-N 2.96Å; L544-T546 VanDerWaalsContact O-N 3.14Å; L544-T546 PolarHBondContact O-OG1 3.4Å; L544-T546 VanDerWaalsContact O-OG1 3.05Å; T546-L561 PolarHBondContact N-O 3.39Å; T546-L561 PolarHBondContact O-N 2.75Å; T546-L577 HydrophobicContact CG2-CD1 4.32Å
547	V	98.7	Very high	92.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.7	174.3	172.3	0	0	0	0	108.8	L191 H193 L372 I485 A487 L559	L191-V547 HydrophobicContact CD2-CB 3.77Å; L191-V547 HydrophobicContact CD2-CG2 3.73Å; L191-V547 HydrophobicContact CG-CB 4.23Å; L191-V547 HydrophobicContact CG-CG2 3.82Å; H193-V547 HydrophobicContact CB-CG1 3.92Å; L372-V547 WeakPolarHBondContact CA-O 3.41Å; L372-V547 HydrophobicContact CB-CB 4.38Å; L372-V547 WeakPolarHBondContact CB-O 3.49Å; L372-V547 HydrophobicContact CD1-CB 4.36Å; L372-V547 HydrophobicContact CD1-CG1 4.2Å; L372-V547 PolarHBondContact N-O 3.2Å; L372-V547 PolarHBondContact O-N 3.24Å; I485-V547 HydrophobicContact CB-CG1 4.43Å; I485-V547 HydrophobicContact CD1-CG1 4.43Å; I485-V547 HydrophobicContact CG2-CG1 4.03Å; I485-V547 HydrophobicContact CG2-CG2 3.93Å; A487-V547 HydrophobicContact CB-CG2 4.06Å; V547-L559 CarbonylContact C-O 3.56Å; V547-L559 WeakPolarHBondContact CA-O 3.43Å
548	V	98.1	Very high	92.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	136	172.9	-174.9	0	0	0	0	108.4	H369 L370 V371 Y558 L559 L577 L581	H369-V548 HydrophobicContact CB-CG1 3.65Å; L370-V548 WeakPolarHBondContact O-CA 3.32Å; V371-V548 HydrophobicContact CG1-CG2 4.37Å; V371-V548 HydrophobicContact CG2-CG1 4.42Å; V371-V548 HydrophobicContact CG2-CG2 4.23Å; V548-Y558 CarbonylContact O-C 3.58Å; V548-Y558 VanDerWaalsContact O-CA 3.22Å; V548-Y558 WeakPolarHBondContact O-CA 3.48Å; V548-L559 HydrophobicContact CB-CB 3.91Å; V548-L559 HydrophobicContact CB-CD1 4.15Å; V548-L559 HydrophobicContact CB-CG 4.24Å; V548-L559 HydrophobicContact CG2-CB 4.15Å; V548-L559 HydrophobicContact CG2-CD1 4.13Å; V548-L559 PolarHBondContact N-O 2.98Å; V548-L559 PolarHBondContact O-N 3.5Å; V548-L577 HydrophobicContact CG2-CD2 3.58Å; V548-L581 HydrophobicContact CG1-CD1 4.13Å; V548-L581 HydrophobicContact CG1-CD2 4.42Å
549	R	96.1	Very high	92.9	Very high	30 Å²	30	31.8 Å²	31.8	11%	0.113	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.6	170.3	66.7	172	-176.2	87.2	-13.5	110.9	H193 N198 H369 L370 Y558	H193-R549 WeakPolarHBondContact CE1-CD 3.39Å; H193-R549 WeakPolarHBondContact NE2-CD 3.24Å; N198-R549 PolarHBondContact OD1-NE 3.28Å; N198-R549 PolarHBondContact OD1-NH1 3.04Å; N198-R549 PolarHBondContact OD1-NH2 3.08Å; H369-R549 CarbonylContact C-O 3.42Å; H369-R549 WeakPolarHBondContact CA-O 3.32Å; L370-R549 HydrophobicContact CB-CG 3.97Å; L370-R549 VanDerWaalsContact CD2-CZ 3.48Å; L370-R549 VanDerWaalsContact CD2-NH2 3.3Å; L370-R549 PolarHBondContact N-O 3.41Å; L370-R549 PolarHBondContact O-N 2.84Å; R549-Y558 HydrophobicContact CB-CD1 3.6Å; R549-Y558 HydrophobicContact CB-CE1 3.59Å
550	P	94.7	Very high	93	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.039	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	142.3	167.5	-24.1	36	0	0	0	111.2	L554 Y558	P550-L554 HydrophobicContact CB-CB 4.41Å; P550-L554 WeakPolarHBondContact CB-O 3.45Å; P550-Y558 HydrophobicContact CG-CE2 4.14Å
551	A	92.3	Very high	93.2	Very high	18 Å²	18	31.5 Å²	31.5	15%	0.149	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-63	160.8	170.4	0	0	0	0	0	110.4	G368 G553 L554	G368-A551 VanDerWaalsContact O-CB 3.27Å; G368-A551 WeakPolarHBondContact O-CB 3.48Å; G368-A551 PolarHBondContact O-N 3.45Å; A551-G553 PolarHBondContact O-N 3.5Å; A551-L554 HydrophobicContact CB-CD1 4.15Å; A551-L554 WeakPolarHBondContact O-CB 3.37Å; A551-L554 PolarHBondContact O-N 2.94Å
552	E	84.6	Confident	93.3	Very high	160 Å²	160	31.4 Å²	31.4	75%	0.748	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	132.3	-174.4	-143.7	166.7	-146.9	0	0	111.6	L554	E552-L554 VanDerWaalsContact C-N 3.26Å; E552-L554 PolarHBondContact O-N 3.21Å
553	G	81.9	Confident	93.2	Very high	85 Å²	85	31.1 Å²	31.1	88%	0.876	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	-3.1	-175	0	0	0	0	0	115.6	A551	A551-G553 PolarHBondContact O-N 3.5Å
554	L	85.9	Confident	92.9	Very high	101 Å²	101	31.7 Å²	31.7	53%	0.529	20%	0.198	S	C	.	.			trans	-102.6	144.2	175.6	-59.5	-177.3	0	0	0	111.6	G368 P550 A551 E552	G368-L554 WeakPolarHBondContact O-CD1 3.37Å; P550-L554 HydrophobicContact CB-CB 4.41Å; P550-L554 WeakPolarHBondContact CB-O 3.45Å; A551-L554 HydrophobicContact CB-CD1 4.15Å; A551-L554 WeakPolarHBondContact O-CB 3.37Å; A551-L554 PolarHBondContact O-N 2.94Å; E552-L554 VanDerWaalsContact C-N 3.26Å; E552-L554 PolarHBondContact O-N 3.21Å
555	C	83.1	Confident	92.5	Very high	132 Å²	132	32.1 Å²	32.1	89%	0.892	20%	0.203	S	C	*	.			trans	-91	147.8	165.6	-64.1	0	0	0	0	108.8
556	G	84.3	Confident	92	Very high	26 Å²	26	32.8 Å²	32.8	27%	0.268	21%	0.209	S	C	.	.			trans	175	-154.2	178.8	0	0	0	0	0	114.4
557	T	90.2	Very high	91.8	Very high	31 Å²	31	33.3 Å²	33.3	19%	0.19	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.8	-173.4	-64.4	0	0	0	0	110.2	L559 R639 T641	T557-L559 HydrophobicContact CG2-CD2 3.86Å; T557-L559 HydrophobicContact CG2-CG 4.2Å; T557-R639 HydrophobicContact CG2-CG 3.39Å; T557-T641 PolarHBondContact OG1-OG1 3.15Å
558	Y	96	Very high	91.6	Very high	51 Å²	51	37.5 Å²	37.5	20%	0.2	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	141.9	166.6	-61.4	-100.1	0	0	0	109.9	I195 I485 V548 R549 P550 R639 R640	I195-Y558 HydrophobicContact CD1-CD1 4.37Å; I195-Y558 HydrophobicContact CD1-CE1 4.28Å; I195-Y558 HydrophobicContact CG1-CD1 4.28Å; I195-Y558 HydrophobicContact CG1-CE1 3.91Å; I195-Y558 HydrophobicContact CG2-CE1 4.28Å; I485-Y558 HydrophobicContact CD1-CD1 3.49Å; I485-Y558 VanDerWaalsContact CD1-CD1 3.49Å; I485-Y558 HydrophobicContact CD1-CE1 4.47Å; I485-Y558 HydrophobicContact CD1-CG 3.83Å; V548-Y558 CarbonylContact O-C 3.58Å; V548-Y558 VanDerWaalsContact O-CA 3.22Å; V548-Y558 WeakPolarHBondContact O-CA 3.48Å; R549-Y558 HydrophobicContact CB-CD1 3.6Å; R549-Y558 HydrophobicContact CB-CE1 3.59Å; P550-Y558 HydrophobicContact CG-CE2 4.14Å; Y558-R639 WeakPolarHBondContact O-CA 3.4Å; Y558-R640 PolarHBondContact N-O 2.86Å; Y558-R640 PolarHBondContact O-N 3.35Å
559	L	97.6	Very high	91.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.1	175.7	-54.8	168.9	0	0	0	109.9	M479 V547 V548 T557 L561 L577 V580 L581 S638 R639	M479-L559 VanDerWaalsContact CE-C 3.5Å; V547-L559 CarbonylContact C-O 3.56Å; V547-L559 WeakPolarHBondContact CA-O 3.43Å; V548-L559 HydrophobicContact CB-CB 3.91Å; V548-L559 HydrophobicContact CB-CD1 4.15Å; V548-L559 HydrophobicContact CB-CG 4.24Å; V548-L559 HydrophobicContact CG2-CB 4.15Å; V548-L559 HydrophobicContact CG2-CD1 4.13Å; V548-L559 PolarHBondContact N-O 2.98Å; V548-L559 PolarHBondContact O-N 3.5Å; T557-L559 HydrophobicContact CG2-CD2 3.86Å; T557-L559 HydrophobicContact CG2-CG 4.2Å; L559-L561 HydrophobicContact CB-CG 4.35Å; L559-L577 HydrophobicContact CD1-CD2 4.4Å; L559-V580 HydrophobicContact CD1-CG1 3.9Å; L559-L581 HydrophobicContact CD1-CD2 4.17Å; L559-S638 WeakPolarHBondContact CA-O 3.47Å; L559-R639 HydrophobicContact CD2-CB 3.74Å; L559-R639 HydrophobicContact CD2-CG 3.66Å
560	A	98.2	Very high	91.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.7	158.2	0	0	0	0	0	106.8	L477 M479 I485 A487 G637 S638	L477-A560 HydrophobicContact CB-CB 4.42Å; L477-A560 HydrophobicContact CD2-CB 4.43Å; M479-A560 HydrophobicContact CE-CB 3.93Å; M479-A560 VanDerWaalsContact CE-N 3.29Å; I485-A560 HydrophobicContact CG2-CB 3.64Å; A487-A560 HydrophobicContact CB-CB 4.27Å; A560-G637 CarbonylContact O-C 3.5Å; A560-G637 VanDerWaalsContact O-CA 3.25Å; A560-G637 WeakPolarHBondContact O-CA 3.29Å; A560-S638 WeakPolarHBondContact CB-OG 3.45Å; A560-S638 PolarHBondContact N-O 3.25Å; A560-S638 PolarHBondContact O-N 3.2Å
561	L	98.3	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.1	-177.9	-59.6	173.3	0	0	0	109.3	T546 L559 L573 V576 L577 L587 H636	T546-L561 PolarHBondContact N-O 3.39Å; T546-L561 PolarHBondContact O-N 2.75Å; L559-L561 HydrophobicContact CB-CG 4.35Å; L561-L573 HydrophobicContact CB-CD2 3.65Å; L561-L573 HydrophobicContact CD1-CD2 4.34Å; L561-V576 HydrophobicContact CD1-CG1 4.23Å; L561-V576 HydrophobicContact CD2-CG1 4.29Å; L561-L577 HydrophobicContact CD1-CD2 3.51Å; L561-L577 HydrophobicContact CD1-CG 3.86Å; L561-L587 HydrophobicContact CD2-CD1 4.1Å; L561-H636 WeakPolarHBondContact CA-O 3.46Å
562	G	96.3	Very high	91.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.9	169.3	0	0	0	0	0	108.6	Q475 V635 H636	Q475-G562 PolarHBondContact OE1-O 3.06Å; G562-V635 WeakPolarHBondContact O-CA 3.3Å; G562-V635 WeakPolarHBondContact O-CG1 3.3Å; G562-H636 PolarHBondContact N-O 3.27Å; G562-H636 PolarHBondContact O-N 2.9Å; G562-H636 VanDerWaalsContact O-N 3.1Å
563	A	94.1	Very high	92.5	Very high	6 Å²	6	27.5 Å²	27.5	5%	0.05	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	149.1	173.6	0	0	0	0	0	112.3	L573 W634 V635	A563-L573 HydrophobicContact CB-CD1 4.06Å; A563-L573 HydrophobicContact CB-CD2 4.23Å; A563-L573 HydrophobicContact CB-CG 3.77Å; A563-W634 CarbonylContact C-O 3.58Å; A563-W634 VanDerWaalsContact CA-O 3.26Å; A563-W634 WeakPolarHBondContact CA-O 3.48Å; A563-V635 HydrophobicContact CB-CG2 3.94Å
564	N	89.1	Confident	93.3	Very high	17 Å²	17	23.4 Å²	23.4	9%	0.091	14%	0.138	C	C	.	.			trans	-102	161.6	170	-171.2	9.5	0	0	0	110.6	P471 T472 A473 G569 S633 W634	P471-N564 PolarHBondContact O-OD1 3.03Å; T472-N564 VanDerWaalsContact CA-OD1 3.31Å; T472-N564 WeakPolarHBondContact CA-OD1 3.4Å; A473-N564 PolarHBondContact N-OD1 3.09Å; N564-G569 WeakPolarHBondContact O-CA 3.4Å; N564-S633 WeakPolarHBondContact O-CB 3.48Å; N564-W634 PolarHBondContact N-O 3.16Å
565	G	86	Confident	93.9	Very high	11 Å²	11	19.1 Å²	19.1	11%	0.113	12%	0.115	C	C	.	.	S	Bend	trans	99.3	27.6	172.2	0	0	0	0	0	115.3	A567 R568	G565-A567 PolarHBondContact O-N 3.06Å; G565-R568 VanDerWaalsContact O-CB 3.26Å; G565-R568 WeakPolarHBondContact O-CB 3.33Å; G565-R568 PolarHBondContact O-N 3.41Å
566	A	88.8	Confident	94.6	Very high	15 Å²	15	12.9 Å²	12.9	12%	0.124	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-120.8	-179	0	0	0	0	0	113.1	A470 F542 R568 G569 L570	A470-A566 WeakPolarHBondContact O-CB 3.15Å; F542-A566 VanDerWaalsContact CB-C 3.44Å; F542-A566 HydrophobicContact CB-CB 4.11Å; F542-A566 HydrophobicContact CD2-CB 4.33Å; F542-A566 HydrophobicContact CG-CB 4.35Å; A566-R568 PolarHBondContact O-N 3.42Å; A566-G569 WeakPolarHBondContact O-CA 3.41Å; A566-G569 PolarHBondContact O-N 3.23Å; A566-L570 PolarHBondContact O-N 3.07Å
567	A	93.2	Very high	95.2	Very high	10 Å²	10	11.7 Å²	11.7	8%	0.083	6%	0.061	C	C	.	.	H	α-helix	trans	-56.5	-32.1	178.3	0	0	0	0	0	113.5	L416 F542 G565 G569 L570 S571	L416-A567 HydrophobicContact CD2-CB 3.83Å; F542-A567 HydrophobicContact CD1-CB 4.31Å; F542-A567 HydrophobicContact CE1-CB 3.92Å; F542-A567 HydrophobicContact CE2-CB 4.42Å; F542-A567 HydrophobicContact CZ-CB 3.98Å; G565-A567 PolarHBondContact O-N 3.06Å; A567-G569 PolarHBondContact O-N 2.98Å; A567-L570 PolarHBondContact O-N 3.14Å; A567-S571 PolarHBondContact O-N 3.23Å; A567-S571 PolarHBondContact O-OG 3.43Å
568	R	94.9	Very high	95.5	Very high	89 Å²	89	10.6 Å²	10.6	34%	0.336	5%	0.054	S	C	.	.	H	α-helix	trans	-67	-27	174	-56.2	179.7	175.1	82.8	4.2	111.8	G565 A566 S571 G572 H597 L632 S633	G565-R568 VanDerWaalsContact O-CB 3.26Å; G565-R568 WeakPolarHBondContact O-CB 3.33Å; G565-R568 PolarHBondContact O-N 3.41Å; A566-R568 PolarHBondContact O-N 3.42Å; R568-S571 PolarHBondContact O-N 2.87Å; R568-G572 PolarHBondContact O-N 3.45Å; R568-H597 HydrophobicContact CG-CB 4.39Å; R568-L632 VanDerWaalsContact CB-O 3.29Å; R568-L632 WeakPolarHBondContact CB-O 3.47Å; R568-L632 WeakPolarHBondContact CD-O 3.46Å; R568-L632 HydrophobicContact CG-CD2 4.49Å; R568-S633 PolarHBondContact O-OG 3.5Å
569	G	94.9	Very high	95.4	Very high	2 Å²	2	9 Å²	9	2%	0.021	5%	0.048	C	C	.	.	H	α-helix	trans	-65.3	-44.1	172.3	0	0	0	0	0	112.3	N564 A566 A567 S571 G572 L573	N564-G569 WeakPolarHBondContact O-CA 3.4Å; A566-G569 WeakPolarHBondContact O-CA 3.41Å; A566-G569 PolarHBondContact O-N 3.23Å; A567-G569 PolarHBondContact O-N 2.98Å; G569-S571 VanDerWaalsContact C-N 3.35Å; G569-S571 PolarHBondContact O-N 3.41Å; G569-G572 PolarHBondContact O-N 2.71Å; G569-L573 WeakPolarHBondContact O-CG 3.26Å; G569-L573 PolarHBondContact O-N 3.05Å
570	L	97.1	Very high	95.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.7	-45.1	173.2	-175	158.4	0	0	0	111.2	A382 L412 L416 F542 L544 A566 A567 G572 L573 T574	A382-L570 HydrophobicContact CB-CD1 4.01Å; L412-L570 HydrophobicContact CD2-CD2 4.04Å; L416-L570 HydrophobicContact CD2-CD2 4.42Å; F542-L570 HydrophobicContact CD1-CB 4.37Å; F542-L570 HydrophobicContact CE1-CD1 4.23Å; L544-L570 HydrophobicContact CD1-CB 3.85Å; L544-L570 HydrophobicContact CD1-CD1 4.23Å; L544-L570 HydrophobicContact CD1-CG 4.17Å; A566-L570 PolarHBondContact O-N 3.07Å; A567-L570 PolarHBondContact O-N 3.14Å; L570-G572 VanDerWaalsContact C-N 3.32Å; L570-G572 PolarHBondContact O-N 3.22Å; L570-L573 PolarHBondContact O-N 2.82Å; L570-T574 WeakPolarHBondContact O-CB 3.48Å; L570-T574 PolarHBondContact O-N 2.99Å; L570-T574 PolarHBondContact O-OG1 2.81Å
571	S	97.7	Very high	95.2	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.007	6%	0.055	C	C	.	.	H	α-helix	trans	-60.2	-42	174.9	-57.2	0	0	0	0	112.1	A567 R568 G569 Q575 H597	A567-S571 PolarHBondContact O-N 3.23Å; A567-S571 PolarHBondContact O-OG 3.43Å; R568-S571 PolarHBondContact O-N 2.87Å; G569-S571 VanDerWaalsContact C-N 3.35Å; G569-S571 PolarHBondContact O-N 3.41Å; S571-Q575 WeakPolarHBondContact O-CG 3.3Å; S571-Q575 PolarHBondContact O-N 2.81Å; S571-Q575 PolarHBondContact O-NE2 3.09Å; S571-H597 PolarHBondContact OG-ND1 3.24Å
572	G	97.3	Very high	94.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.8	-47.3	177	0	0	0	0	0	113.1	R568 G569 L570 T574 Q575 V576	R568-G572 PolarHBondContact O-N 3.45Å; G569-G572 PolarHBondContact O-N 2.71Å; L570-G572 VanDerWaalsContact C-N 3.32Å; L570-G572 PolarHBondContact O-N 3.22Å; G572-T574 PolarHBondContact O-N 3Å; G572-Q575 PolarHBondContact O-N 3.29Å; G572-V576 WeakPolarHBondContact O-CG2 3.42Å; G572-V576 PolarHBondContact O-N 2.88Å
573	L	98	Very high	94.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.4	-45.8	177.5	-75.4	170.7	0	0	0	111.6	L383 L544 L561 A563 G569 L570 Q575 V576 L577 V635	L383-L573 HydrophobicContact CD1-CB 4.06Å; L383-L573 HydrophobicContact CD2-CB 4.47Å; L383-L573 HydrophobicContact CD2-CD1 4.39Å; L544-L573 HydrophobicContact CB-CD1 3.7Å; L544-L573 HydrophobicContact CD1-CD1 4.31Å; L544-L573 WeakPolarHBondContact O-CD1 3.48Å; L561-L573 HydrophobicContact CB-CD2 3.65Å; L561-L573 HydrophobicContact CD1-CD2 4.34Å; A563-L573 HydrophobicContact CB-CD1 4.06Å; A563-L573 HydrophobicContact CB-CD2 4.23Å; A563-L573 HydrophobicContact CB-CG 3.77Å; G569-L573 WeakPolarHBondContact O-CG 3.26Å; G569-L573 PolarHBondContact O-N 3.05Å; L570-L573 PolarHBondContact O-N 2.82Å; L573-Q575 VanDerWaalsContact C-N 3.32Å; L573-Q575 PolarHBondContact O-N 3.32Å; L573-V576 PolarHBondContact O-N 3.09Å; L573-L577 WeakPolarHBondContact O-CB 3.42Å; L573-L577 WeakPolarHBondContact O-CG 3.27Å; L573-L577 PolarHBondContact O-N 2.97Å; L573-V635 HydrophobicContact CD2-CG1 3.97Å
574	T	98.5	Very high	94.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-54.9	-48.5	176.5	-57.8	0	0	0	0	111.1	L383 A386 L387 L390 L412 L570 G572 L578	L383-T574 WeakPolarHBondContact CD1-OG1 3.39Å; A386-T574 HydrophobicContact CB-CG2 3.95Å; L387-T574 HydrophobicContact CD2-CG2 4.45Å; L390-T574 HydrophobicContact CD1-CG2 3.62Å; L412-T574 HydrophobicContact CD2-CG2 4.1Å; L570-T574 WeakPolarHBondContact O-CB 3.48Å; L570-T574 PolarHBondContact O-N 2.99Å; L570-T574 PolarHBondContact O-OG1 2.81Å; G572-T574 PolarHBondContact O-N 3Å; T574-L578 VanDerWaalsContact O-CB 3.29Å; T574-L578 WeakPolarHBondContact O-CB 3.31Å; T574-L578 PolarHBondContact O-N 2.99Å
575	Q	97.9	Very high	94.6	Very high	11 Å²	11	23.4 Å²	23.4	5%	0.051	12%	0.119	C	C	.	.	H	α-helix	trans	-68.4	-39.3	-179	-76.1	169.4	93.5	0	0	112.8	V408 S571 G572 L573 L578 N579 L596	V408-Q575 HydrophobicContact CG1-CG 3.75Å; S571-Q575 WeakPolarHBondContact O-CG 3.3Å; S571-Q575 PolarHBondContact O-N 2.81Å; S571-Q575 PolarHBondContact O-NE2 3.09Å; G572-Q575 PolarHBondContact O-N 3.29Å; L573-Q575 VanDerWaalsContact C-N 3.32Å; L573-Q575 PolarHBondContact O-N 3.32Å; Q575-L578 PolarHBondContact O-N 3.35Å; Q575-N579 WeakPolarHBondContact O-CB 3.36Å; Q575-N579 VanDerWaalsContact O-CG 3.24Å; Q575-N579 PolarHBondContact O-N 2.85Å; Q575-N579 PolarHBondContact O-ND2 2.82Å; Q575-L596 PolarHBondContact NE2-O 2.86Å
576	V	97.8	Very high	94.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-46.2	176.4	169	0	0	0	0	110.8	L561 G572 L573 L578 N579 V580 L587 L591 V635	L561-V576 HydrophobicContact CD1-CG1 4.23Å; L561-V576 HydrophobicContact CD2-CG1 4.29Å; G572-V576 WeakPolarHBondContact O-CG2 3.42Å; G572-V576 PolarHBondContact O-N 2.88Å; L573-V576 PolarHBondContact O-N 3.09Å; V576-L578 PolarHBondContact O-N 2.7Å; V576-N579 PolarHBondContact O-N 2.75Å; V576-V580 HydrophobicContact CG1-CG2 4.4Å; V576-V580 WeakPolarHBondContact O-CG2 3.26Å; V576-V580 PolarHBondContact O-N 3.21Å; V576-L587 HydrophobicContact CG1-CD1 4.32Å; V576-L591 HydrophobicContact CB-CD2 4.44Å; V576-L591 HydrophobicContact CG1-CD2 3.74Å; V576-L591 HydrophobicContact CG2-CD2 3.79Å; V576-V635 HydrophobicContact CB-CG1 4.35Å; V576-V635 HydrophobicContact CG1-CG1 4.41Å; V576-V635 HydrophobicContact CG2-CB 4.15Å; V576-V635 HydrophobicContact CG2-CG1 3.96Å; V576-V635 HydrophobicContact CG2-CG2 4.3Å
577	L	97.7	Very high	95.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-41.7	176.8	-73.4	170.3	0	0	0	111.8	V371 L383 L387 T546 V548 L559 L561 L573 N579 V580 L581	V371-L577 HydrophobicContact CG1-CD1 4.24Å; L383-L577 HydrophobicContact CD1-CD1 4.3Å; L383-L577 HydrophobicContact CD2-CD1 4.43Å; L387-L577 HydrophobicContact CD1-CD1 3.83Å; L387-L577 HydrophobicContact CD2-CB 3.96Å; L387-L577 HydrophobicContact CD2-CD1 4.44Å; T546-L577 HydrophobicContact CG2-CD1 4.32Å; V548-L577 HydrophobicContact CG2-CD2 3.58Å; L559-L577 HydrophobicContact CD1-CD2 4.4Å; L561-L577 HydrophobicContact CD1-CD2 3.51Å; L561-L577 HydrophobicContact CD1-CG 3.86Å; L573-L577 WeakPolarHBondContact O-CB 3.42Å; L573-L577 WeakPolarHBondContact O-CG 3.27Å; L573-L577 PolarHBondContact O-N 2.97Å; L577-N579 PolarHBondContact O-N 3.1Å; L577-V580 PolarHBondContact O-N 3.46Å; L577-L581 HydrophobicContact CD2-CD1 3.91Å; L577-L581 VanDerWaalsContact O-CB 3.28Å; L577-L581 WeakPolarHBondContact O-CB 3.44Å; L577-L581 WeakPolarHBondContact O-CG 3.28Å; L577-L581 PolarHBondContact O-N 3.38Å
578	L	96.3	Very high	95.3	Very high	9 Å²	9	27.5 Å²	27.5	5%	0.047	14%	0.14	C	C	.	.	I	π-helix	trans	-58.2	-48.7	173.5	176.4	68.3	0	0	0	111.4	Y366 L390 L395 V408 T574 Q575 V576 V580 T582 L583	Y366-L578 VanDerWaalsContact OH-CD1 3.28Å; Y366-L578 WeakPolarHBondContact OH-CD1 3.36Å; L390-L578 HydrophobicContact CD1-CD2 4.42Å; L395-L578 HydrophobicContact CD1-CD1 3.56Å; L395-L578 HydrophobicContact CD1-CD2 4.07Å; L395-L578 HydrophobicContact CD1-CG 4.39Å; V408-L578 HydrophobicContact CG2-CD2 3.58Å; T574-L578 VanDerWaalsContact O-CB 3.29Å; T574-L578 WeakPolarHBondContact O-CB 3.31Å; T574-L578 PolarHBondContact O-N 2.99Å; Q575-L578 PolarHBondContact O-N 3.35Å; V576-L578 PolarHBondContact O-N 2.7Å; L578-V580 PolarHBondContact O-N 3.23Å; L578-T582 HydrophobicContact CD1-CG2 4Å; L578-T582 WeakPolarHBondContact O-CA 3.29Å; L578-T582 VanDerWaalsContact O-CB 3.26Å; L578-T582 WeakPolarHBondContact O-CB 3.45Å; L578-T582 PolarHBondContact O-N 2.9Å; L578-L583 PolarHBondContact O-N 2.78Å; L578-L583 VanDerWaalsContact O-N 3.16Å
579	N	94.8	Very high	95.2	Very high	16 Å²	16	27.3 Å²	27.3	9%	0.086	15%	0.146	C	C	.	.	I	π-helix	trans	-62.6	-44.3	-179.5	-76.1	-37.5	0	0	0	112.3	Q575 V576 L577 L583 N584 R585 S590	Q575-N579 WeakPolarHBondContact O-CB 3.36Å; Q575-N579 VanDerWaalsContact O-CG 3.24Å; Q575-N579 PolarHBondContact O-N 2.85Å; Q575-N579 PolarHBondContact O-ND2 2.82Å; V576-N579 PolarHBondContact O-N 2.75Å; L577-N579 PolarHBondContact O-N 3.1Å; N579-L583 CarbonylContact O-C 3.53Å; N579-L583 WeakPolarHBondContact O-CB 3.26Å; N579-L583 PolarHBondContact O-N 2.91Å; N579-N584 PolarHBondContact O-N 3.41Å; N579-R585 WeakPolarHBondContact O-CB 3.13Å; N579-R585 PolarHBondContact O-N 3.4Å; N579-S590 WeakPolarHBondContact CB-OG 3.42Å
580	V	95.1	Very high	95.2	Very high	12 Å²	12	27.3 Å²	27.3	7%	0.073	15%	0.145	C	C	.	.	I	π-helix	trans	-75.2	-47.7	-176.6	176.8	0	0	0	0	111.6	L559 V576 L577 L578 N584 L587 S590	L559-V580 HydrophobicContact CD1-CG1 3.9Å; V576-V580 HydrophobicContact CG1-CG2 4.4Å; V576-V580 WeakPolarHBondContact O-CG2 3.26Å; V576-V580 PolarHBondContact O-N 3.21Å; L577-V580 PolarHBondContact O-N 3.46Å; L578-V580 PolarHBondContact O-N 3.23Å; V580-N584 WeakPolarHBondContact O-CA 3.44Å; V580-N584 PolarHBondContact O-N 3.29Å; V580-L587 HydrophobicContact CG2-CD1 4.11Å; V580-S590 WeakPolarHBondContact CG2-OG 3.45Å
581	L	94.4	Very high	95.1	Very high	14 Å²	14	27.3 Å²	27.3	7%	0.073	15%	0.145	C	C	.	.	I	π-helix	trans	-92.8	-28.5	-169	-56.7	178.2	0	0	0	113.9	Y366 H369 V371 V548 L559 L577	Y366-L581 HydrophobicContact CD1-CB 4.05Å; Y366-L581 HydrophobicContact CD1-CD1 3.85Å; Y366-L581 HydrophobicContact CE1-CB 3.93Å; Y366-L581 HydrophobicContact CE1-CD1 4.36Å; H369-L581 HydrophobicContact CB-CD1 4.46Å; V371-L581 HydrophobicContact CG2-CD1 4.41Å; V548-L581 HydrophobicContact CG1-CD1 4.13Å; V548-L581 HydrophobicContact CG1-CD2 4.42Å; L559-L581 HydrophobicContact CD1-CD2 4.17Å; L577-L581 HydrophobicContact CD2-CD1 3.91Å; L577-L581 VanDerWaalsContact O-CB 3.28Å; L577-L581 WeakPolarHBondContact O-CB 3.44Å; L577-L581 WeakPolarHBondContact O-CG 3.28Å; L577-L581 PolarHBondContact O-N 3.38Å
582	T	93.3	Very high	95	Very high	15 Å²	15	28.8 Å²	28.8	9%	0.092	16%	0.158	C	C	.	.	I	π-helix	trans	-99.2	-44.1	177.9	-73.4	0	0	0	0	112	Y366 R367 L395 L578	Y366-T582 VanDerWaalsContact CZ-OG1 3.31Å; Y366-T582 PolarHBondContact OH-OG1 3.33Å; R367-T582 WeakPolarHBondContact CG-OG1 3.06Å; R367-T582 PolarHBondContact NE-OG1 2.91Å; R367-T582 VanDerWaalsContact NE-OG1 3.09Å; L395-T582 HydrophobicContact CB-CG2 3.76Å; L395-T582 WeakPolarHBondContact O-CG2 3.29Å; L578-T582 HydrophobicContact CD1-CG2 4Å; L578-T582 WeakPolarHBondContact O-CA 3.29Å; L578-T582 VanDerWaalsContact O-CB 3.26Å; L578-T582 WeakPolarHBondContact O-CB 3.45Å; L578-T582 PolarHBondContact O-N 2.9Å
583	L	91.4	Very high	94.8	Very high	64 Å²	64	31.6 Å²	31.6	34%	0.335	17%	0.168	S	C	.	.	S	Bend	trans	-91.9	2.2	-178	-55.3	-179.1	0	0	0	113.5	L578 N579 R585	L578-L583 PolarHBondContact O-N 2.78Å; L578-L583 VanDerWaalsContact O-N 3.16Å; N579-L583 CarbonylContact O-C 3.53Å; N579-L583 WeakPolarHBondContact O-CB 3.26Å; N579-L583 PolarHBondContact O-N 2.91Å; L583-R585 HydrophobicContact CB-CG 4.06Å; L583-R585 PolarHBondContact O-N 2.89Å; L583-R585 VanDerWaalsContact O-N 3.08Å
584	N	91.1	Very high	94.6	Very high	141 Å²	141	32 Å²	32	75%	0.754	17%	0.173	S	C	*	.			trans	50.9	31.2	-179.7	-66.2	-45.5	0	0	0	113.7	N579 V580	N579-N584 PolarHBondContact O-N 3.41Å; V580-N584 WeakPolarHBondContact O-CA 3.44Å; V580-N584 PolarHBondContact O-N 3.29Å
585	R	91.1	Very high	94.4	Very high	81 Å²	81	32.2 Å²	32.2	31%	0.306	17%	0.173	S	C	.	.			trans	-75.6	154.1	177.5	-67.1	175.9	176.5	-104.6	4.2	109.9	N579 L583 S590	N579-R585 WeakPolarHBondContact O-CB 3.13Å; N579-R585 PolarHBondContact O-N 3.4Å; L583-R585 HydrophobicContact CB-CG 4.06Å; L583-R585 PolarHBondContact O-N 2.89Å; L583-R585 VanDerWaalsContact O-N 3.08Å; R585-S590 WeakPolarHBondContact CB-OG 3.48Å
586	N	92.4	Very high	94.4	Very high	61 Å²	61	31.7 Å²	31.7	33%	0.326	17%	0.171	S	C	.	.			trans	-63.2	159.8	171.5	73	4.9	0	0	0	109.8	D589 S590	N586-D589 PolarHBondContact ND2-OD1 3.27Å; N586-D589 PolarHBondContact ND2-OD2 3.46Å; N586-D589 VanDerWaalsContact ND2-OD2 3.09Å; N586-D589 VanDerWaalsContact OD1-CA 3.29Å; N586-D589 WeakPolarHBondContact OD1-CA 3.46Å; N586-D589 WeakPolarHBondContact OD1-CB 3.34Å; N586-D589 PolarHBondContact OD1-N 3.26Å; N586-D589 PolarHBondContact OD1-OD1 3.2Å; N586-D589 PolarHBondContact OD1-OD2 3.09Å; N586-D589 VanDerWaalsContact OD1-OD2 3.11Å; N586-S590 VanDerWaalsContact O-CB 3.31Å; N586-S590 WeakPolarHBondContact O-CB 3.46Å; N586-S590 PolarHBondContact O-N 3.46Å; N586-S590 PolarHBondContact O-OG 3.21Å
587	L	94.6	Very high	94.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66	-43.2	179	-179.9	59.4	0	0	0	111.2	L561 V576 V580 S590 L591 R639 V648	L561-L587 HydrophobicContact CD2-CD1 4.1Å; V576-L587 HydrophobicContact CG1-CD1 4.32Å; V580-L587 HydrophobicContact CG2-CD1 4.11Å; L587-S590 WeakPolarHBondContact O-CB 3.48Å; L587-S590 PolarHBondContact O-N 3.32Å; L587-S590 VanDerWaalsContact O-N 3.15Å; L587-L591 HydrophobicContact CD1-CD1 4.29Å; L587-L591 HydrophobicContact CD1-CD2 4.14Å; L587-L591 HydrophobicContact CD1-CG 4Å; L587-L591 HydrophobicContact CG-CD1 4.24Å; L587-L591 HydrophobicContact CG-CG 4.3Å; L587-L591 WeakPolarHBondContact O-CG 3.41Å; L587-L591 PolarHBondContact O-N 3.5Å; L587-R639 HydrophobicContact CD2-CB 3.82Å; L587-V648 HydrophobicContact CB-CG2 4.5Å; L587-V648 HydrophobicContact CD2-CB 4.11Å; L587-V648 HydrophobicContact CD2-CG2 3.84Å; L587-V648 HydrophobicContact CG-CB 4.28Å; L587-V648 HydrophobicContact CG-CG2 4.18Å
588	S	94.2	Very high	94.2	Very high	61 Å²	61	32.2 Å²	32.2	43%	0.427	17%	0.173	S	C	.	.	H	α-helix	trans	-58.4	-51.1	-178	-167.4	0	0	0	0	113.8	S590 L591 A592	S588-S590 VanDerWaalsContact C-N 3.25Å; S588-S590 PolarHBondContact O-N 3.22Å; S588-L591 PolarHBondContact O-N 2.91Å; S588-A592 WeakPolarHBondContact O-CB 3.45Å; S588-A592 PolarHBondContact O-N 3.47Å
589	D	93.4	Very high	93.9	Very high	85 Å²	85	33.6 Å²	33.6	46%	0.455	18%	0.181	S	C	.	.	H	α-helix	trans	-68.7	-30.3	178.5	-49.4	-9.9	0	0	0	110.3	N586 A592 R593	N586-D589 PolarHBondContact ND2-OD1 3.27Å; N586-D589 PolarHBondContact ND2-OD2 3.46Å; N586-D589 VanDerWaalsContact ND2-OD2 3.09Å; N586-D589 VanDerWaalsContact OD1-CA 3.29Å; N586-D589 WeakPolarHBondContact OD1-CA 3.46Å; N586-D589 WeakPolarHBondContact OD1-CB 3.34Å; N586-D589 PolarHBondContact OD1-N 3.26Å; N586-D589 PolarHBondContact OD1-OD1 3.2Å; N586-D589 PolarHBondContact OD1-OD2 3.09Å; N586-D589 VanDerWaalsContact OD1-OD2 3.11Å; D589-A592 PolarHBondContact O-N 3.21Å; D589-R593 VanDerWaalsContact O-CG 3.3Å; D589-R593 WeakPolarHBondContact O-CG 3.44Å; D589-R593 PolarHBondContact O-N 2.93Å
590	S	95.3	Very high	93.6	Very high	1 Å²	1	34 Å²	34	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-67.6	-38.6	176	-59.4	0	0	0	0	112.1	N579 V580 R585 N586 L587 S588	N579-S590 WeakPolarHBondContact CB-OG 3.42Å; V580-S590 WeakPolarHBondContact CG2-OG 3.45Å; R585-S590 WeakPolarHBondContact CB-OG 3.48Å; N586-S590 VanDerWaalsContact O-CB 3.31Å; N586-S590 WeakPolarHBondContact O-CB 3.46Å; N586-S590 PolarHBondContact O-N 3.46Å; N586-S590 PolarHBondContact O-OG 3.21Å; L587-S590 WeakPolarHBondContact O-CB 3.48Å; L587-S590 PolarHBondContact O-N 3.32Å; L587-S590 VanDerWaalsContact O-N 3.15Å; S588-S590 VanDerWaalsContact C-N 3.25Å; S588-S590 PolarHBondContact O-N 3.22Å
591	L	95.4	Very high	92.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-72.7	-32.5	174.7	-63.3	-173.5	0	0	0	112.2	V576 L587 S588 R593 R595 V635 V648 R652	V576-L591 HydrophobicContact CB-CD2 4.44Å; V576-L591 HydrophobicContact CG1-CD2 3.74Å; V576-L591 HydrophobicContact CG2-CD2 3.79Å; L587-L591 HydrophobicContact CD1-CD1 4.29Å; L587-L591 HydrophobicContact CD1-CD2 4.14Å; L587-L591 HydrophobicContact CD1-CG 4Å; L587-L591 HydrophobicContact CG-CD1 4.24Å; L587-L591 HydrophobicContact CG-CG 4.3Å; L587-L591 WeakPolarHBondContact O-CG 3.41Å; L587-L591 PolarHBondContact O-N 3.5Å; S588-L591 PolarHBondContact O-N 2.91Å; L591-R593 VanDerWaalsContact C-N 3.3Å; L591-R593 PolarHBondContact O-N 3.16Å; L591-R595 PolarHBondContact O-NH2 2.7Å; L591-V635 HydrophobicContact CD2-CB 3.96Å; L591-V635 HydrophobicContact CD2-CG1 3.78Å; L591-V635 WeakPolarHBondContact CD2-O 3.38Å; L591-V648 HydrophobicContact CD1-CB 3.96Å; L591-V648 HydrophobicContact CD1-CG1 3.75Å; L591-R652 PolarHBondContact O-NH2 3.24Å
592	A	94.1	Very high	92.3	Very high	33 Å²	33	38.5 Å²	38.5	27%	0.273	21%	0.208	S	C	.	.	H	α-helix	trans	-75.8	-13.1	-179.9	0	0	0	0	0	114.2	S588 D589 P651	S588-A592 WeakPolarHBondContact O-CB 3.45Å; S588-A592 PolarHBondContact O-N 3.47Å; D589-A592 PolarHBondContact O-N 3.21Å; A592-P651 HydrophobicContact CB-CG 3.76Å
593	R	93.2	Very high	91.9	Very high	59 Å²	59	40.8 Å²	40.8	22%	0.223	22%	0.22	C	C	.	.	S	Bend	trans	-75.7	140.6	-179.5	-80.6	174.1	107.9	69.8	4.7	112	R401 D589 L591 R652	R401-R593 VanDerWaalsContact NH1-NE 3.18Å; D589-R593 VanDerWaalsContact O-CG 3.3Å; D589-R593 WeakPolarHBondContact O-CG 3.44Å; D589-R593 PolarHBondContact O-N 2.93Å; L591-R593 VanDerWaalsContact C-N 3.3Å; L591-R593 PolarHBondContact O-N 3.16Å; R593-R652 PolarHBondContact O-NH2 3.39Å
594	G	93.6	Very high	92	Very high	9 Å²	9	40.5 Å²	40.5	9%	0.093	22%	0.219	C	C	.	.			trans	-50.8	142.8	162.1	0	0	0	0	0	112.7	D608 E610 F611	G594-D608 WeakPolarHBondContact CA-OD2 3.45Å; G594-E610 WeakPolarHBondContact CA-OE2 3.35Å; G594-E610 PolarHBondContact N-OE2 3.48Å; G594-F611 VanDerWaalsContact C-CE2 3.49Å
595	R	95.3	Very high	92.2	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.015	18%	0.183	C	C	.	.			trans	-113	158	-179	-61.2	170.4	-179.2	120.7	12.6	110.1	L591 V607 D608 F611 L632 S633 D650 R652	L591-R595 PolarHBondContact O-NH2 2.7Å; R595-V607 WeakPolarHBondContact O-CA 3.28Å; R595-D608 WeakPolarHBondContact CB-OD2 3.2Å; R595-D608 PolarHBondContact N-OD2 2.74Å; R595-D608 PolarHBondContact O-N 3.22Å; R595-F611 WeakPolarHBondContact O-CE2 3.45Å; R595-L632 HydrophobicContact CB-CD1 4.2Å; R595-L632 VanDerWaalsContact O-CD1 3.23Å; R595-L632 WeakPolarHBondContact O-CD1 3.29Å; R595-S633 VanDerWaalsContact CD-OG 3.31Å; R595-S633 WeakPolarHBondContact CD-OG 3.04Å; R595-S633 PolarHBondContact NH1-O 3.33Å; R595-D650 IonicContact CZ-OD2 2.65Å; R595-D650 IonicContact NH1-OD2 2.71Å; R595-D650 PolarHBondContact NH1-OD2 2.82Å; R595-D650 IonicContact NH2-OD2 3.79Å; R595-D650 PolarHBondContact NH2-OD2 3.38Å; R595-R652 VanDerWaalsContact NH1-CZ 3.33Å; R595-R652 VanDerWaalsContact NH2-NH2 3.11Å
596	L	97.2	Very high	92.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	155.6	164.8	61.9	74.2	0	0	0	111.4	L405 V408 A409 L412 Q575 L605 Q606 V607 F611	L405-L596 HydrophobicContact CB-CD2 4Å; L405-L596 HydrophobicContact CD2-CD2 3.84Å; L405-L596 WeakPolarHBondContact O-CD2 3.36Å; V408-L596 HydrophobicContact CG1-CD1 3.9Å; V408-L596 HydrophobicContact CG1-CG 4.45Å; A409-L596 HydrophobicContact CB-CD1 4.07Å; A409-L596 HydrophobicContact CB-CD2 4.27Å; L412-L596 HydrophobicContact CD1-CD1 3.68Å; Q575-L596 PolarHBondContact NE2-O 2.86Å; L596-L605 HydrophobicContact CB-CD1 4.2Å; L596-L605 HydrophobicContact CD1-CD1 4.13Å; L596-Q606 CarbonylContact C-O 3.59Å; L596-Q606 VanDerWaalsContact CA-O 3.3Å; L596-Q606 WeakPolarHBondContact CA-O 3.48Å; L596-V607 HydrophobicContact CB-CG1 3.86Å; L596-F611 HydrophobicContact CB-CE1 4.36Å; L596-F611 HydrophobicContact CB-CZ 3.93Å; L596-F611 HydrophobicContact CD2-CE1 4.37Å; L596-F611 HydrophobicContact CD2-CZ 4.38Å; L596-F611 HydrophobicContact CG-CZ 4.45Å
597	H	96.7	Very high	92.8	Very high	10 Å²	10	28 Å²	28	5%	0.046	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	119.6	177.2	174	73	0	0	0	109.9	R568 S571 D599 Q606 L632	R568-H597 HydrophobicContact CG-CB 4.39Å; S571-H597 PolarHBondContact OG-ND1 3.24Å; H597-D599 PolarHBondContact O-N 2.81Å; H597-Q606 PolarHBondContact N-O 3.07Å; H597-Q606 PolarHBondContact O-N 2.9Å; H597-L632 HydrophobicContact CB-CD1 3.96Å; H597-L632 HydrophobicContact CB-CD2 4Å
598	P	94.7	Very high	92.8	Very high	2 Å²	2	28 Å²	28	1%	0.013	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	113.8	171.6	29.8	-28.4	0	0	0	110.1	L412 K413 L416 L600 L605	L412-P598 HydrophobicContact CB-CG 3.63Å; K413-P598 HydrophobicContact CG-CB 3.53Å; K413-P598 HydrophobicContact CG-CG 3.81Å; L416-P598 HydrophobicContact CD1-CG 4.1Å; L416-P598 WeakPolarHBondContact CD1-O 3.39Å; P598-L600 PolarHBondContact O-N 2.8Å; P598-L605 HydrophobicContact CB-CD1 4.19Å
599	D	90.9	Very high	92.8	Very high	37 Å²	37	28.1 Å²	28.1	20%	0.198	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	106.1	168.1	177.8	-3.4	0	0	0	108.9	H597 Q601 S602 N603 L604	H597-D599 PolarHBondContact O-N 2.81Å; D599-Q601 PolarHBondContact O-N 3.36Å; D599-Q601 PolarHBondContact OD1-N 3.42Å; D599-S602 WeakPolarHBondContact CB-OG 3.47Å; D599-S602 PolarHBondContact OD1-N 3.01Å; D599-S602 WeakPolarHBondContact OD2-CB 3.46Å; D599-S602 PolarHBondContact OD2-OG 2.88Å; D599-N603 VanDerWaalsContact O-CA 3.3Å; D599-N603 WeakPolarHBondContact O-CA 3.41Å; D599-N603 PolarHBondContact O-N 3.03Å; D599-L604 PolarHBondContact N-O 2.91Å; D599-L604 PolarHBondContact O-N 3.36Å
600	L	87.6	Confident	92.7	Very high	24 Å²	24	29 Å²	29	13%	0.126	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.1	-176.1	-62.6	-175.8	0	0	0	113.7	K413 L416 A417 P460 V464 L467 P598	K413-L600 HydrophobicContact CB-CD2 3.94Å; K413-L600 HydrophobicContact CG-CD2 3.86Å; L416-L600 HydrophobicContact CB-CD1 3.6Å; L416-L600 HydrophobicContact CB-CG 4.31Å; A417-L600 HydrophobicContact CB-CD1 4.2Å; P460-L600 HydrophobicContact CG-CD2 4.41Å; V464-L600 HydrophobicContact CB-CD1 4.46Å; V464-L600 HydrophobicContact CG1-CB 3.8Å; V464-L600 HydrophobicContact CG1-CD1 3.75Å; V464-L600 HydrophobicContact CG1-CG 4.45Å; V464-L600 HydrophobicContact CG2-CB 4.33Å; V464-L600 HydrophobicContact CG2-CD1 3.78Å; L467-L600 HydrophobicContact CD1-CD1 4.37Å; P598-L600 PolarHBondContact O-N 2.8Å
601	Q	79.9	Confident	92.7	Very high	68 Å²	68	29.1 Å²	29.1	32%	0.318	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-45.1	-179.8	-64.9	-177	3	0	0	111.5	D599	D599-Q601 PolarHBondContact O-N 3.36Å; D599-Q601 PolarHBondContact OD1-N 3.42Å
602	S	82.8	Confident	92.8	Very high	53 Å²	53	32.5 Å²	32.5	37%	0.371	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.8	178.7	63.6	0	0	0	0	113.3	D599 L604	D599-S602 WeakPolarHBondContact CB-OG 3.47Å; D599-S602 PolarHBondContact OD1-N 3.01Å; D599-S602 WeakPolarHBondContact OD2-CB 3.46Å; D599-S602 PolarHBondContact OD2-OG 2.88Å; S602-L604 PolarHBondContact O-N 3.24Å; S602-L604 WeakPolarHBondContact OG-CB 3.33Å; S602-L604 WeakPolarHBondContact OG-CG 3.5Å; S602-L604 PolarHBondContact OG-N 3Å
603	N	86	Confident	92.8	Very high	64 Å²	64	36.3 Å²	36.3	34%	0.342	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	29.4	-171.2	-162.1	35.1	0	0	0	112.8	D599	D599-N603 VanDerWaalsContact O-CA 3.3Å; D599-N603 WeakPolarHBondContact O-CA 3.41Å; D599-N603 PolarHBondContact O-N 3.03Å
604	L	92.3	Very high	93	Very high	57 Å²	57	40 Å²	40	30%	0.298	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	142	174.5	-63.5	175.4	0	0	0	110.2	D599 S602 H625	D599-L604 PolarHBondContact N-O 2.91Å; D599-L604 PolarHBondContact O-N 3.36Å; S602-L604 PolarHBondContact O-N 3.24Å; S602-L604 WeakPolarHBondContact OG-CB 3.33Å; S602-L604 WeakPolarHBondContact OG-CG 3.5Å; S602-L604 PolarHBondContact OG-N 3Å; L604-H625 CarbonylContact C-O 3.55Å; L604-H625 WeakPolarHBondContact CA-O 3.43Å; L604-H625 HydrophobicContact CD2-CB 3.95Å
605	L	96.3	Very high	93.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	98.9	166	-178.1	61.5	0	0	0	108.2	A409 L596 P598 V607 L619 H624 H625 V626 E627	A409-L605 HydrophobicContact CB-CD1 3.89Å; A409-L605 HydrophobicContact CB-CD2 3.96Å; L596-L605 HydrophobicContact CB-CD1 4.2Å; L596-L605 HydrophobicContact CD1-CD1 4.13Å; P598-L605 HydrophobicContact CB-CD1 4.19Å; L605-V607 HydrophobicContact CG-CG1 4.35Å; L605-L619 HydrophobicContact CD2-CD1 3.94Å; L605-L619 HydrophobicContact CD2-CD2 4.16Å; L605-L619 HydrophobicContact CD2-CG 4.44Å; L605-H624 HydrophobicContact CB-CB 4.3Å; L605-H624 HydrophobicContact CD2-CB 3.84Å; L605-H625 PolarHBondContact N-O 3.26Å; L605-V626 HydrophobicContact CB-CG2 4.48Å; L605-V626 HydrophobicContact CD2-CG2 4.34Å; L605-V626 VanDerWaalsContact O-CA 3.3Å; L605-V626 WeakPolarHBondContact O-CA 3.23Å; L605-E627 PolarHBondContact O-N 2.65Å
606	Q	97	Very high	93.2	Very high	19 Å²	19	40.5 Å²	40.5	9%	0.089	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	137.4	176.5	-54.7	-168.8	-51.8	0	0	109.7	L596 H597 E627 L632	L596-Q606 CarbonylContact C-O 3.59Å; L596-Q606 VanDerWaalsContact CA-O 3.3Å; L596-Q606 WeakPolarHBondContact CA-O 3.48Å; H597-Q606 PolarHBondContact N-O 3.07Å; H597-Q606 PolarHBondContact O-N 2.9Å; Q606-E627 CarbonylContact C-O 3.56Å; Q606-E627 VanDerWaalsContact CA-O 3.3Å; Q606-E627 WeakPolarHBondContact CA-O 3.42Å; Q606-E627 PolarHBondContact NE2-OE2 3.47Å; Q606-E627 VanDerWaalsContact NE2-OE2 3.08Å; Q606-L632 HydrophobicContact CB-CD2 3.66Å
607	V	97.4	Very high	93.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.4	177.6	-58.3	0	0	0	0	110.4	R595 L596 L605 F611 I616 V626 E627 K628 V629	R595-V607 WeakPolarHBondContact O-CA 3.28Å; L596-V607 HydrophobicContact CB-CG1 3.86Å; L605-V607 HydrophobicContact CG-CG1 4.35Å; V607-F611 HydrophobicContact CB-CB 4.23Å; V607-F611 HydrophobicContact CB-CD1 3.86Å; V607-F611 HydrophobicContact CB-CD2 3.84Å; V607-F611 HydrophobicContact CB-CE1 4.12Å; V607-F611 HydrophobicContact CB-CE2 4.11Å; V607-F611 HydrophobicContact CB-CG 3.72Å; V607-F611 HydrophobicContact CB-CZ 4.24Å; V607-F611 HydrophobicContact CG1-CD1 3.89Å; V607-F611 HydrophobicContact CG1-CE1 3.85Å; V607-F611 HydrophobicContact CG1-CG 4.28Å; V607-F611 HydrophobicContact CG1-CZ 4.22Å; V607-F611 HydrophobicContact CG2-CB 3.95Å; V607-F611 HydrophobicContact CG2-CD1 4.28Å; V607-F611 HydrophobicContact CG2-CD2 4.46Å; V607-F611 HydrophobicContact CG2-CG 4Å; V607-I616 HydrophobicContact CG2-CD1 4.21Å; V607-I616 HydrophobicContact CG2-CG1 4.47Å; V607-V626 HydrophobicContact CB-CG1 4.41Å; V607-V626 HydrophobicContact CG1-CG1 3.87Å; V607-V626 HydrophobicContact CG2-CG1 3.62Å; V607-E627 PolarHBondContact N-O 3.09Å; V607-K628 HydrophobicContact CG2-CG 3.99Å; V607-K628 WeakPolarHBondContact O-CA 3.15Å; V607-V629 PolarHBondContact O-N 3.11Å
608	D	96.2	Very high	93.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	154.2	173.5	-73	-33.9	0	0	0	111.6	G594 R595 E610 F611 V629 V631 L632 R652	G594-D608 WeakPolarHBondContact CA-OD2 3.45Å; R595-D608 WeakPolarHBondContact CB-OD2 3.2Å; R595-D608 PolarHBondContact N-OD2 2.74Å; R595-D608 PolarHBondContact O-N 3.22Å; D608-E610 PolarHBondContact O-N 3.48Å; D608-F611 HydrophobicContact CB-CD2 4.48Å; D608-F611 WeakPolarHBondContact O-CD2 3.38Å; D608-F611 PolarHBondContact O-N 3Å; D608-V629 CarbonylContact C-O 3.54Å; D608-V631 WeakPolarHBondContact OD1-CA 3.48Å; D608-L632 WeakPolarHBondContact OD1-CB 3.22Å; D608-L632 WeakPolarHBondContact OD1-CG 3.3Å; D608-L632 PolarHBondContact OD1-N 3.48Å; D608-R652 IonicContact OD1-NH1 2.86Å; D608-R652 IonicContact OD2-CZ 3.51Å; D608-R652 IonicContact OD2-NH1 3.68Å; D608-R652 PolarHBondContact OD2-NH1 2.99Å
609	S	94.1	Very high	93.5	Very high	62 Å²	62	48 Å²	48	43%	0.434	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-23	-179.3	58.9	0	0	0	0	114.5	F611 V629 D630	S609-F611 VanDerWaalsContact C-N 3.25Å; S609-F611 PolarHBondContact O-N 2.89Å; S609-V629 PolarHBondContact N-O 3.09Å; S609-D630 PolarHBondContact OG-O 3.29Å
610	E	91.6	Very high	93.8	Very high	104 Å²	104	51 Å²	51	49%	0.486	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.4	177.6	-61.1	-171.3	142.4	0	0	114.5	G594 D608 T612	G594-E610 WeakPolarHBondContact CA-OE2 3.35Å; G594-E610 PolarHBondContact N-OE2 3.48Å; D608-E610 PolarHBondContact O-N 3.48Å; E610-T612 PolarHBondContact O-N 3.36Å
611	F	95.3	Very high	94.3	Very high	4 Å²	4	54 Å²	54	2%	0.018	29%	0.288	C	S	.	.			trans	-65.8	130.5	176.5	-85.4	-121.1	0	0	0	110.9	L405 G594 R595 L596 V607 D608 S609 E615 I616 K628	L405-F611 HydrophobicContact CD1-CD1 4.47Å; L405-F611 HydrophobicContact CD1-CE1 3.84Å; L405-F611 HydrophobicContact CD2-CE1 4.02Å; L405-F611 HydrophobicContact CD2-CZ 4.02Å; L405-F611 HydrophobicContact CG-CE1 4.5Å; G594-F611 VanDerWaalsContact C-CE2 3.49Å; R595-F611 WeakPolarHBondContact O-CE2 3.45Å; L596-F611 HydrophobicContact CB-CE1 4.36Å; L596-F611 HydrophobicContact CB-CZ 3.93Å; L596-F611 HydrophobicContact CD2-CE1 4.37Å; L596-F611 HydrophobicContact CD2-CZ 4.38Å; L596-F611 HydrophobicContact CG-CZ 4.45Å; V607-F611 HydrophobicContact CB-CB 4.23Å; V607-F611 HydrophobicContact CB-CD1 3.86Å; V607-F611 HydrophobicContact CB-CD2 3.84Å; V607-F611 HydrophobicContact CB-CE1 4.12Å; V607-F611 HydrophobicContact CB-CE2 4.11Å; V607-F611 HydrophobicContact CB-CG 3.72Å; V607-F611 HydrophobicContact CB-CZ 4.24Å; V607-F611 HydrophobicContact CG1-CD1 3.89Å; V607-F611 HydrophobicContact CG1-CE1 3.85Å; V607-F611 HydrophobicContact CG1-CG 4.28Å; V607-F611 HydrophobicContact CG1-CZ 4.22Å; V607-F611 HydrophobicContact CG2-CB 3.95Å; V607-F611 HydrophobicContact CG2-CD1 4.28Å; V607-F611 HydrophobicContact CG2-CD2 4.46Å; V607-F611 HydrophobicContact CG2-CG 4Å; D608-F611 HydrophobicContact CB-CD2 4.48Å; D608-F611 WeakPolarHBondContact O-CD2 3.38Å; D608-F611 PolarHBondContact O-N 3Å; S609-F611 VanDerWaalsContact C-N 3.25Å; S609-F611 PolarHBondContact O-N 2.89Å; F611-E615 HydrophobicContact CD1-CB 4.2Å; F611-I616 HydrophobicContact CB-CD1 4.25Å; F611-I616 HydrophobicContact CB-CG1 4.28Å; F611-K628 WeakPolarHBondContact O-CE 3.25Å; F611-K628 PolarHBondContact O-NZ 3.34Å
612	T	95.9	Very high	95	Very high	70 Å²	70	53 Å²	53	43%	0.429	28%	0.281	S	S	.	.			trans	-71.8	154.3	176.7	62.3	0	0	0	0	111	E610 E614 E615 I616	E610-T612 PolarHBondContact O-N 3.36Å; T612-E614 PolarHBondContact O-N 2.84Å; T612-E615 PolarHBondContact N-OE2 3.08Å; T612-E615 PolarHBondContact O-N 3.23Å; T612-E615 VanDerWaalsContact OG1-CD 3.27Å; T612-E615 VanDerWaalsContact OG1-CG 3.23Å; T612-E615 WeakPolarHBondContact OG1-CG 3.43Å; T612-E615 PolarHBondContact OG1-N 3.33Å; T612-E615 PolarHBondContact OG1-OE2 2.77Å; T612-I616 WeakPolarHBondContact O-CG1 3.41Å; T612-I616 PolarHBondContact O-N 2.92Å
613	E	95.9	Very high	95.7	Very high	113 Å²	113	52.6 Å²	52.6	53%	0.528	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-34.2	175.8	-59.1	-54.2	135.2	0	0	111.7	I616 E617 K628	E613-I616 PolarHBondContact O-N 3.04Å; E613-E617 WeakPolarHBondContact O-CB 3.31Å; E613-E617 WeakPolarHBondContact O-CG 3.45Å; E613-E617 PolarHBondContact O-N 3.42Å; E613-K628 IonicContact OE1-NZ 2.76Å; E613-K628 PolarHBondContact OE1-NZ 3.02Å
614	E	96.4	Very high	96.2	Very high	137 Å²	137	49.9 Å²	49.9	64%	0.64	27%	0.271	S	S	*	.	H	α-helix	trans	-63	-43.3	176.3	-177.6	176.5	-170.1	0	0	112.5	T612 I616 F618	T612-E614 PolarHBondContact O-N 2.84Å; E614-I616 VanDerWaalsContact C-N 3.26Å; E614-I616 PolarHBondContact O-N 3.22Å; E614-F618 VanDerWaalsContact O-CB 3.32Å; E614-F618 WeakPolarHBondContact O-CB 3.5Å; E614-F618 PolarHBondContact O-N 2.9Å
615	E	96.8	Very high	96.4	Very high	11 Å²	11	52.8 Å²	52.8	5%	0.051	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-37.5	175.2	-73.8	163.5	138.1	0	0	111.4	R401 E402 L405 F611 T612 L619	R401-E615 IonicContact CZ-OE1 3.54Å; R401-E615 IonicContact NE-OE1 2.72Å; R401-E615 PolarHBondContact NE-OE1 2.96Å; R401-E615 IonicContact NH2-OE1 3.22Å; R401-E615 PolarHBondContact NH2-OE1 3.35Å; E402-E615 HydrophobicContact CG-CG 4.4Å; L405-E615 HydrophobicContact CD1-CB 4.22Å; L405-E615 HydrophobicContact CD1-CG 3.92Å; F611-E615 HydrophobicContact CD1-CB 4.2Å; T612-E615 PolarHBondContact N-OE2 3.08Å; T612-E615 PolarHBondContact O-N 3.23Å; T612-E615 VanDerWaalsContact OG1-CD 3.27Å; T612-E615 VanDerWaalsContact OG1-CG 3.23Å; T612-E615 WeakPolarHBondContact OG1-CG 3.43Å; T612-E615 PolarHBondContact OG1-N 3.33Å; T612-E615 PolarHBondContact OG1-OE2 2.77Å; E615-L619 VanDerWaalsContact O-CG 3.27Å; E615-L619 WeakPolarHBondContact O-CG 3.26Å; E615-L619 PolarHBondContact O-N 2.84Å; E615-L619 VanDerWaalsContact O-N 3.15Å
616	I	97.4	Very high	96.4	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.062	29%	0.289	C	S	.	.	H	α-helix	trans	-71.5	-51.5	-179.9	-67.7	176.9	0	0	0	110.8	V607 F611 T612 E613 E614 F618 L619 E620 V626 K628	V607-I616 HydrophobicContact CG2-CD1 4.21Å; V607-I616 HydrophobicContact CG2-CG1 4.47Å; F611-I616 HydrophobicContact CB-CD1 4.25Å; F611-I616 HydrophobicContact CB-CG1 4.28Å; T612-I616 WeakPolarHBondContact O-CG1 3.41Å; T612-I616 PolarHBondContact O-N 2.92Å; E613-I616 PolarHBondContact O-N 3.04Å; E614-I616 VanDerWaalsContact C-N 3.26Å; E614-I616 PolarHBondContact O-N 3.22Å; I616-F618 PolarHBondContact O-N 3.04Å; I616-L619 PolarHBondContact O-N 3.49Å; I616-E620 HydrophobicContact CG2-CG 4.16Å; I616-E620 WeakPolarHBondContact O-CG 3.47Å; I616-E620 PolarHBondContact O-N 3.38Å; I616-V626 HydrophobicContact CD1-CG1 4.36Å; I616-V626 HydrophobicContact CG1-CG1 4.05Å; I616-V626 HydrophobicContact CG2-CB 4Å; I616-V626 HydrophobicContact CG2-CG1 4Å; I616-V626 HydrophobicContact CG2-CG2 4.41Å; I616-K628 HydrophobicContact CD1-CD 4.08Å; I616-K628 HydrophobicContact CD1-CG 3.92Å
617	E	97.7	Very high	96.4	Very high	127 Å²	127	56.9 Å²	56.9	59%	0.593	30%	0.303	S	S	*	.	H	α-helix	trans	-55.4	-38.2	176.3	-74.2	177.9	-176.1	0	0	111	E613 A621	E613-E617 WeakPolarHBondContact O-CB 3.31Å; E613-E617 WeakPolarHBondContact O-CG 3.45Å; E613-E617 PolarHBondContact O-N 3.42Å; E617-A621 WeakPolarHBondContact O-CB 3.39Å; E617-A621 PolarHBondContact O-N 2.73Å
618	F	97.7	Very high	96.3	Very high	43 Å²	43	61 Å²	61	19%	0.189	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-42	175.5	-177.9	-82	0	0	0	113.1	E402 Q403 H406 E614 I616 R622	E402-F618 HydrophobicContact CB-CB 4Å; E402-F618 HydrophobicContact CB-CD1 3.38Å; E402-F618 HydrophobicContact CB-CD2 3.58Å; E402-F618 HydrophobicContact CB-CE1 3.53Å; E402-F618 HydrophobicContact CB-CE2 3.71Å; E402-F618 HydrophobicContact CB-CG 3.39Å; E402-F618 HydrophobicContact CB-CZ 3.65Å; E402-F618 HydrophobicContact CG-CB 4.28Å; E402-F618 HydrophobicContact CG-CD2 4.17Å; E402-F618 HydrophobicContact CG-CG 4.1Å; E402-F618 WeakPolarHBondContact O-CE1 3.24Å; Q403-F618 HydrophobicContact CB-CZ 4.17Å; H406-F618 HydrophobicContact CB-CE1 4.31Å; E614-F618 VanDerWaalsContact O-CB 3.32Å; E614-F618 WeakPolarHBondContact O-CB 3.5Å; E614-F618 PolarHBondContact O-N 2.9Å; I616-F618 PolarHBondContact O-N 3.04Å; F618-R622 PolarHBondContact O-N 3.33Å
619	L	97.8	Very high	96.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69.4	-43.2	178	-72.4	167.2	0	0	0	110.9	L405 H406 L605 E615 I616 R622 G623 H624 V626	L405-L619 HydrophobicContact CB-CD2 4.42Å; H406-L619 HydrophobicContact CB-CD2 4.15Å; L605-L619 HydrophobicContact CD2-CD1 3.94Å; L605-L619 HydrophobicContact CD2-CD2 4.16Å; L605-L619 HydrophobicContact CD2-CG 4.44Å; E615-L619 VanDerWaalsContact O-CG 3.27Å; E615-L619 WeakPolarHBondContact O-CG 3.26Å; E615-L619 PolarHBondContact O-N 2.84Å; E615-L619 VanDerWaalsContact O-N 3.15Å; I616-L619 PolarHBondContact O-N 3.49Å; L619-R622 PolarHBondContact O-N 2.82Å; L619-R622 VanDerWaalsContact O-N 3.14Å; L619-G623 PolarHBondContact O-N 3.42Å; L619-H624 HydrophobicContact CB-CB 4.2Å; L619-H624 WeakPolarHBondContact O-CB 3.38Å; L619-H624 PolarHBondContact O-CD2 3.46Å; L619-H624 PolarHBondContact O-N 2.65Å; L619-H624 VanDerWaalsContact O-N 3.11Å; L619-V626 HydrophobicContact CB-CG2 3.87Å
620	E	97.5	Very high	96.1	Very high	100 Å²	100	65.9 Å²	65.9	47%	0.467	34%	0.343	S	S	.	.	H	α-helix	trans	-64	-40.4	176.3	-70.4	-174.7	152	0	0	112.2	I616 R622 G623 H624 V626	I616-E620 HydrophobicContact CG2-CG 4.16Å; I616-E620 WeakPolarHBondContact O-CG 3.47Å; I616-E620 PolarHBondContact O-N 3.38Å; E620-R622 PolarHBondContact O-N 2.94Å; E620-R622 VanDerWaalsContact O-N 3.14Å; E620-G623 WeakPolarHBondContact O-CA 3.26Å; E620-G623 PolarHBondContact O-N 3.34Å; E620-H624 WeakPolarHBondContact CA-O 3.33Å; E620-V626 HydrophobicContact CG-CB 4.28Å; E620-V626 HydrophobicContact CG-CG2 3.91Å
621	A	97.4	Very high	96.1	Very high	86 Å²	86	63.2 Å²	63.2	71%	0.711	33%	0.334	S	S	*	.	H	α-helix	trans	-61.4	-21.9	175.1	0	0	0	0	0	113	E617	E617-A621 WeakPolarHBondContact O-CB 3.39Å; E617-A621 PolarHBondContact O-N 2.73Å
622	R	96.7	Very high	96	Very high	49 Å²	49	63.5 Å²	63.5	19%	0.185	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.2	172.7	-68.7	-179.6	165.5	60.2	-4.4	113.2	D453 S454 Q455 A456 F618 L619 E620	D453-R622 PolarHBondContact O-NE 3.05Å; D453-R622 VanDerWaalsContact O-NE 3.12Å; S454-R622 WeakPolarHBondContact O-CG 3.33Å; Q455-R622 CarbonylContact C-O 3.57Å; Q455-R622 WeakPolarHBondContact CA-O 3.37Å; A456-R622 WeakPolarHBondContact CB-O 3.44Å; A456-R622 PolarHBondContact N-O 2.94Å; F618-R622 PolarHBondContact O-N 3.33Å; L619-R622 PolarHBondContact O-N 2.82Å; L619-R622 VanDerWaalsContact O-N 3.14Å; E620-R622 PolarHBondContact O-N 2.94Å; E620-R622 VanDerWaalsContact O-N 3.14Å
623	G	96.2	Very high	95.8	Very high	44 Å²	44	60.5 Å²	60.5	45%	0.454	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	12.4	175.5	0	0	0	0	0	115.4	L619 E620	L619-G623 PolarHBondContact O-N 3.42Å; E620-G623 WeakPolarHBondContact O-CA 3.26Å; E620-G623 PolarHBondContact O-N 3.34Å
624	H	96.6	Very high	95.7	Very high	7 Å²	7	57.4 Å²	57.4	3%	0.032	30%	0.301	C	S	.	.			trans	-75.9	139.1	168	-67.3	-73.7	0	0	0	110.5	H406 E410 K413 L605 L619 E620 V626	H406-H624 AromaticContact CE1-NE2 3.82Å; H406-H624 AromaticContact ND1-CD2 3.8Å; H406-H624 AromaticContact ND1-NE2 3.13Å; H406-H624 PolarHBondContact ND1-NE2 2.95Å; H406-H624 VanDerWaalsContact ND1-NE2 3.13Å; E410-H624 IonicContact OE1-CE1 2.64Å; E410-H624 PolarHBondContact OE1-CE1 3.03Å; E410-H624 IonicContact OE1-ND1 3.83Å; E410-H624 IonicContact OE1-NE2 2.72Å; K413-H624 PolarHBondContact NZ-ND1 3.11Å; L605-H624 HydrophobicContact CB-CB 4.3Å; L605-H624 HydrophobicContact CD2-CB 3.84Å; L619-H624 HydrophobicContact CB-CB 4.2Å; L619-H624 WeakPolarHBondContact O-CB 3.38Å; L619-H624 PolarHBondContact O-CD2 3.46Å; L619-H624 PolarHBondContact O-N 2.65Å; L619-H624 VanDerWaalsContact O-N 3.11Å; E620-H624 WeakPolarHBondContact CA-O 3.33Å; H624-V626 HydrophobicContact CB-CG2 4.11Å
625	H	95.8	Very high	95.7	Very high	117 Å²	117	50.9 Å²	50.9	54%	0.542	27%	0.271	S	S	.	.			trans	-93.9	101.9	170.9	-65.9	-56.1	0	0	0	109.2	L604 L605	L604-H625 CarbonylContact C-O 3.55Å; L604-H625 WeakPolarHBondContact CA-O 3.43Å; L604-H625 HydrophobicContact CD2-CB 3.95Å; L605-H625 PolarHBondContact N-O 3.26Å
626	V	97.1	Very high	95.7	Very high	25 Å²	25	50.4 Å²	50.4	15%	0.152	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.2	-167.9	-174.6	0	0	0	0	111.5	L605 V607 I616 L619 E620 H624	L605-V626 HydrophobicContact CB-CG2 4.48Å; L605-V626 HydrophobicContact CD2-CG2 4.34Å; L605-V626 VanDerWaalsContact O-CA 3.3Å; L605-V626 WeakPolarHBondContact O-CA 3.23Å; V607-V626 HydrophobicContact CB-CG1 4.41Å; V607-V626 HydrophobicContact CG1-CG1 3.87Å; V607-V626 HydrophobicContact CG2-CG1 3.62Å; I616-V626 HydrophobicContact CD1-CG1 4.36Å; I616-V626 HydrophobicContact CG1-CG1 4.05Å; I616-V626 HydrophobicContact CG2-CB 4Å; I616-V626 HydrophobicContact CG2-CG1 4Å; I616-V626 HydrophobicContact CG2-CG2 4.41Å; L619-V626 HydrophobicContact CB-CG2 3.87Å; E620-V626 HydrophobicContact CG-CB 4.28Å; E620-V626 HydrophobicContact CG-CG2 3.91Å; H624-V626 HydrophobicContact CB-CG2 4.11Å
627	E	96.6	Very high	95.7	Very high	82 Å²	82	49.9 Å²	49.9	38%	0.383	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127	173.6	-177.5	-176.6	-148	0	0	110	L605 Q606 V607	L605-E627 PolarHBondContact O-N 2.65Å; Q606-E627 CarbonylContact C-O 3.56Å; Q606-E627 VanDerWaalsContact CA-O 3.3Å; Q606-E627 WeakPolarHBondContact CA-O 3.42Å; Q606-E627 PolarHBondContact NE2-OE2 3.47Å; Q606-E627 VanDerWaalsContact NE2-OE2 3.08Å; V607-E627 PolarHBondContact N-O 3.09Å
628	K	96.1	Very high	95.6	Very high	87 Å²	87	43.8 Å²	43.8	38%	0.378	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.2	171.2	-75.9	-169.5	177.6	-173.8	0	110.7	V607 F611 E613 I616	V607-K628 HydrophobicContact CG2-CG 3.99Å; V607-K628 WeakPolarHBondContact O-CA 3.15Å; F611-K628 WeakPolarHBondContact O-CE 3.25Å; F611-K628 PolarHBondContact O-NZ 3.34Å; E613-K628 IonicContact OE1-NZ 2.76Å; E613-K628 PolarHBondContact OE1-NZ 3.02Å; I616-K628 HydrophobicContact CD1-CD 4.08Å; I616-K628 HydrophobicContact CD1-CG 3.92Å
629	V	94.4	Very high	95.4	Very high	37 Å²	37	44.9 Å²	44.9	22%	0.224	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	163.8	168.7	-59.1	0	0	0	0	109.9	V607 D608 S609 L632	V607-V629 PolarHBondContact O-N 3.11Å; D608-V629 CarbonylContact C-O 3.54Å; S609-V629 PolarHBondContact N-O 3.09Å; V629-L632 HydrophobicContact CG2-CD2 3.51Å; V629-L632 HydrophobicContact CG2-CG 3.63Å
630	D	91.9	Very high	95.2	Very high	128 Å²	128	46.6 Å²	46.6	68%	0.684	25%	0.247	S	C	*	.	S	Bend	trans	-65.6	-60.2	-176.8	-167.8	23.5	0	0	0	111.3	S609	S609-D630 PolarHBondContact OG-O 3.29Å
631	V	91.5	Very high	94.7	Very high	48 Å²	48	44 Å²	44	29%	0.291	24%	0.238	S	C	.	.			trans	-144.9	126.8	176.5	-175.1	0	0	0	0	110.6	D608 S633 R652	D608-V631 WeakPolarHBondContact OD1-CA 3.48Å; V631-S633 VanDerWaalsContact CG1-O 3.27Å; V631-S633 WeakPolarHBondContact CG1-O 3.49Å; V631-R652 HydrophobicContact CG1-CB 4.3Å; V631-R652 HydrophobicContact CG2-CB 4.12Å; V631-R652 HydrophobicContact CG2-CG 4.31Å
632	L	91.6	Very high	94	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.058	23%	0.233	C	C	.	.	S	Bend	trans	-79	-43.2	-179.4	-77.5	170	0	0	0	114.1	R568 R595 H597 Q606 D608 V629	R568-L632 VanDerWaalsContact CB-O 3.29Å; R568-L632 WeakPolarHBondContact CB-O 3.47Å; R568-L632 WeakPolarHBondContact CD-O 3.46Å; R568-L632 HydrophobicContact CG-CD2 4.49Å; R595-L632 HydrophobicContact CB-CD1 4.2Å; R595-L632 VanDerWaalsContact O-CD1 3.23Å; R595-L632 WeakPolarHBondContact O-CD1 3.29Å; H597-L632 HydrophobicContact CB-CD1 3.96Å; H597-L632 HydrophobicContact CB-CD2 4Å; Q606-L632 HydrophobicContact CB-CD2 3.66Å; D608-L632 WeakPolarHBondContact OD1-CB 3.22Å; D608-L632 WeakPolarHBondContact OD1-CG 3.3Å; D608-L632 PolarHBondContact OD1-N 3.48Å; V629-L632 HydrophobicContact CG2-CD2 3.51Å; V629-L632 HydrophobicContact CG2-CG 3.63Å
633	S	92.3	Very high	93.1	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.049	25%	0.252	C	S	.	.			trans	-155.5	165.7	-177	51.9	0	0	0	0	109.4	N564 R568 R595 V631	N564-S633 WeakPolarHBondContact O-CB 3.48Å; R568-S633 PolarHBondContact O-OG 3.5Å; R595-S633 VanDerWaalsContact CD-OG 3.31Å; R595-S633 WeakPolarHBondContact CD-OG 3.04Å; R595-S633 PolarHBondContact NH1-O 3.33Å; V631-S633 VanDerWaalsContact CG1-O 3.27Å; V631-S633 WeakPolarHBondContact CG1-O 3.49Å
634	W	93.8	Very high	92.6	Very high	48 Å²	48	53.4 Å²	53.4	18%	0.182	26%	0.262	C	S	.	.			trans	-114.7	130.8	165.5	-61.6	-32.6	0	0	0	108.4	A563 N564 D650	A563-W634 CarbonylContact C-O 3.58Å; A563-W634 VanDerWaalsContact CA-O 3.26Å; A563-W634 WeakPolarHBondContact CA-O 3.48Å; N564-W634 PolarHBondContact N-O 3.16Å; W634-D650 HydrophobicContact CB-CB 4.26Å
635	V	96.6	Very high	92.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.4	174.8	-176.1	0	0	0	0	107.8	G562 A563 L573 V576 L591 D650	G562-V635 WeakPolarHBondContact O-CA 3.3Å; G562-V635 WeakPolarHBondContact O-CG1 3.3Å; A563-V635 HydrophobicContact CB-CG2 3.94Å; L573-V635 HydrophobicContact CD2-CG1 3.97Å; V576-V635 HydrophobicContact CB-CG1 4.35Å; V576-V635 HydrophobicContact CG1-CG1 4.41Å; V576-V635 HydrophobicContact CG2-CB 4.15Å; V576-V635 HydrophobicContact CG2-CG1 3.96Å; V576-V635 HydrophobicContact CG2-CG2 4.3Å; L591-V635 HydrophobicContact CD2-CB 3.96Å; L591-V635 HydrophobicContact CD2-CG1 3.78Å; L591-V635 WeakPolarHBondContact CD2-O 3.38Å; V635-D650 PolarHBondContact N-OD2 2.72Å; V635-D650 VanDerWaalsContact N-OD2 3.1Å; V635-D650 WeakPolarHBondContact O-CB 3.44Å
636	H	97.3	Very high	92.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	156.3	175.3	-65.7	-20.1	0	0	0	109.9	V143 D145 Q475 L477 L561 G562 D650	V143-H636 HydrophobicContact CG1-CB 3.81Å; D145-H636 IonicContact OD1-CD2 3.82Å; D145-H636 PolarHBondContact OD1-CD2 3.31Å; D145-H636 VanDerWaalsContact OD1-CD2 3.27Å; D145-H636 IonicContact OD1-NE2 3.47Å; D145-H636 PolarHBondContact OD1-NE2 3.33Å; D145-H636 VanDerWaalsContact OD1-NE2 3.11Å; Q475-H636 PolarHBondContact NE2-CD2 3.29Å; Q475-H636 VanDerWaalsContact NE2-CD2 3.31Å; L477-H636 HydrophobicContact CD1-CB 3.66Å; L477-H636 VanDerWaalsContact CD1-O 3.25Å; L477-H636 WeakPolarHBondContact CD1-O 3.27Å; L561-H636 WeakPolarHBondContact CA-O 3.46Å; G562-H636 PolarHBondContact N-O 3.27Å; G562-H636 PolarHBondContact O-N 2.9Å; G562-H636 VanDerWaalsContact O-N 3.1Å; H636-D650 PolarHBondContact CE1-N 3.45Å; H636-D650 PolarHBondContact ND1-N 3Å
637	G	96.3	Very high	92	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	143.3	-179	0	0	0	0	0	114.7	A560 V648	A560-G637 CarbonylContact O-C 3.5Å; A560-G637 VanDerWaalsContact O-CA 3.25Å; A560-G637 WeakPolarHBondContact O-CA 3.29Å; G637-V648 PolarHBondContact N-O 2.87Å; G637-V648 CarbonylContact O-C 3.43Å; G637-V648 WeakPolarHBondContact O-CA 3.43Å; G637-V648 PolarHBondContact O-N 2.97Å
638	S	95.7	Very high	91.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148.7	159.4	60.6	0	0	0	0	109.9	M479 L559 A560 I646	M479-S638 WeakPolarHBondContact CE-O 3.38Å; M479-S638 WeakPolarHBondContact CE-OG 3.43Å; L559-S638 WeakPolarHBondContact CA-O 3.47Å; A560-S638 WeakPolarHBondContact CB-OG 3.45Å; A560-S638 PolarHBondContact N-O 3.25Å; A560-S638 PolarHBondContact O-N 3.2Å; S638-I646 CarbonylContact C-O 3.49Å; S638-I646 WeakPolarHBondContact CA-O 3.45Å; S638-I646 WeakPolarHBondContact CB-O 3.3Å
639	R	94.5	Very high	91.8	Very high	65 Å²	65	46.4 Å²	46.4	25%	0.245	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.9	-178.6	179.7	175.5	70	170.8	5	109.9	T557 Y558 L559 L587 I645 I646	T557-R639 HydrophobicContact CG2-CG 3.39Å; Y558-R639 WeakPolarHBondContact O-CA 3.4Å; L559-R639 HydrophobicContact CD2-CB 3.74Å; L559-R639 HydrophobicContact CD2-CG 3.66Å; L587-R639 HydrophobicContact CD2-CB 3.82Å; R639-I645 CarbonylContact O-C 3.18Å; R639-I645 WeakPolarHBondContact O-CA 3.34Å; R639-I646 HydrophobicContact CB-CD1 4.27Å; R639-I646 HydrophobicContact CB-CG1 3.82Å; R639-I646 PolarHBondContact N-O 3.12Å; R639-I646 PolarHBondContact O-N 2.99Å
640	R	92.7	Very high	91.9	Very high	37 Å²	37	44.6 Å²	44.6	14%	0.14	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.9	167.7	175.5	175.5	-178.7	178.9	-2.1	110.4	M479 D483 Y558 N642 F644 I645	M479-R640 HydrophobicContact SD-CB 3.6Å; M479-R640 VanDerWaalsContact SD-CB 3.6Å; D483-R640 IonicContact OD1-CZ 2.78Å; D483-R640 VanDerWaalsContact OD1-CZ 3.23Å; D483-R640 IonicContact OD1-NH1 3.23Å; D483-R640 PolarHBondContact OD1-NH1 2.71Å; D483-R640 IonicContact OD1-NH2 3.72Å; D483-R640 PolarHBondContact OD1-NH2 2.66Å; Y558-R640 PolarHBondContact N-O 2.86Å; Y558-R640 PolarHBondContact O-N 3.35Å; R640-N642 WeakPolarHBondContact CG-O 3.48Å; R640-N642 PolarHBondContact NE-O 3.21Å; R640-N642 VanDerWaalsContact NE-O 3.14Å; R640-F644 CarbonylContact C-O 3.52Å; R640-F644 VanDerWaalsContact CA-O 3.3Å; R640-F644 WeakPolarHBondContact CA-O 3.48Å; R640-I645 HydrophobicContact CB-CG1 4.23Å; R640-I645 HydrophobicContact CG-CG1 4.01Å
641	T	87.8	Confident	92	Very high	45 Å²	45	42.2 Å²	42.2	28%	0.276	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	111.3	170.5	-54.5	0	0	0	0	107.3	T557 N643 F644	T557-T641 PolarHBondContact OG1-OG1 3.15Å; T641-N643 PolarHBondContact O-N 3.41Å; T641-F644 PolarHBondContact N-O 3.46Å; T641-F644 WeakPolarHBondContact O-CB 3.46Å; T641-F644 PolarHBondContact O-N 3.21Å
642	N	81.9	Confident	92	Very high	116 Å²	116	42 Å²	42	62%	0.62	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	-121.2	-169.7	-53	-36.3	0	0	0	111.1	R640	R640-N642 WeakPolarHBondContact CG-O 3.48Å; R640-N642 PolarHBondContact NE-O 3.21Å; R640-N642 VanDerWaalsContact NE-O 3.14Å
643	N	77.9	Confident	92	Very high	108 Å²	108	41.5 Å²	41.5	58%	0.578	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	29.6	176.6	-58.1	-11.9	0	0	0	111.5	Q139 T641	Q139-N643 PolarHBondContact NE2-O 3.32Å; Q139-N643 VanDerWaalsContact OE1-C 3.25Å; Q139-N643 PolarHBondContact OE1-O 3.2Å; T641-N643 PolarHBondContact O-N 3.41Å
644	F	85.3	Confident	91.8	Very high	153 Å²	153	44.2 Å²	44.2	67%	0.671	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	110.6	173.6	-65.4	-78.3	0	0	0	108.3	R640 T641	R640-F644 CarbonylContact C-O 3.52Å; R640-F644 VanDerWaalsContact CA-O 3.3Å; R640-F644 WeakPolarHBondContact CA-O 3.48Å; T641-F644 PolarHBondContact N-O 3.46Å; T641-F644 WeakPolarHBondContact O-CB 3.46Å; T641-F644 PolarHBondContact O-N 3.21Å
645	I	90.9	Very high	91.8	Very high	10 Å²	10	43 Å²	43	5%	0.051	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.1	176.7	-45.5	-177	0	0	0	107.4	Q139 A141 M479 R639 R640 T660	Q139-I645 HydrophobicContact CB-CD1 4.01Å; Q139-I645 HydrophobicContact CB-CG1 4.35Å; A141-I645 HydrophobicContact CB-CB 4.33Å; A141-I645 HydrophobicContact CB-CG2 3.34Å; M479-I645 HydrophobicContact CB-CD1 4.44Å; M479-I645 HydrophobicContact CB-CG2 3.65Å; M479-I645 HydrophobicContact CG-CG2 4.42Å; M479-I645 HydrophobicContact SD-CG2 4Å; R639-I645 CarbonylContact O-C 3.18Å; R639-I645 WeakPolarHBondContact O-CA 3.34Å; R640-I645 HydrophobicContact CB-CG1 4.23Å; R640-I645 HydrophobicContact CG-CG1 4.01Å; I645-T660 WeakPolarHBondContact O-CG2 3.47Å
646	I	91.9	Very high	91.7	Very high	61 Å²	61	43.2 Å²	43.2	31%	0.313	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.1	174.6	62.1	170.8	0	0	0	110.3	S638 R639 V648	S638-I646 CarbonylContact C-O 3.49Å; S638-I646 WeakPolarHBondContact CA-O 3.45Å; S638-I646 WeakPolarHBondContact CB-O 3.3Å; R639-I646 HydrophobicContact CB-CD1 4.27Å; R639-I646 HydrophobicContact CB-CG1 3.82Å; R639-I646 PolarHBondContact N-O 3.12Å; R639-I646 PolarHBondContact O-N 2.99Å; I646-V648 HydrophobicContact CD1-CG2 3.88Å; I646-V648 HydrophobicContact CG1-CG2 4.12Å
647	A	94.6	Very high	91.7	Very high	17 Å²	17	44.3 Å²	44.3	14%	0.14	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.2	170.2	0	0	0	0	0	109	A141 V142 V143 A659 T660	A141-A647 HydrophobicContact CB-CB 3.8Å; V142-A647 WeakPolarHBondContact O-CB 3.45Å; V143-A647 HydrophobicContact CG2-CB 3.36Å; A647-A659 VanDerWaalsContact CB-O 3.31Å; A647-A659 WeakPolarHBondContact CB-O 3.47Å; A647-T660 PolarHBondContact N-OG1 3.04Å
648	V	95.2	Very high	91.6	Very high	18 Å²	18	45.9 Å²	45.9	11%	0.109	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	122.2	-176.6	-165	0	0	0	0	109.7	L587 L591 G637 I646	L587-V648 HydrophobicContact CB-CG2 4.5Å; L587-V648 HydrophobicContact CD2-CB 4.11Å; L587-V648 HydrophobicContact CD2-CG2 3.84Å; L587-V648 HydrophobicContact CG-CB 4.28Å; L587-V648 HydrophobicContact CG-CG2 4.18Å; L591-V648 HydrophobicContact CD1-CB 3.96Å; L591-V648 HydrophobicContact CD1-CG1 3.75Å; G637-V648 PolarHBondContact N-O 2.87Å; G637-V648 CarbonylContact O-C 3.43Å; G637-V648 WeakPolarHBondContact O-CA 3.43Å; G637-V648 PolarHBondContact O-N 2.97Å; I646-V648 HydrophobicContact CD1-CG2 3.88Å; I646-V648 HydrophobicContact CG1-CG2 4.12Å
649	K	94.8	Very high	91.5	Very high	64 Å²	64	47.5 Å²	47.5	28%	0.278	26%	0.261	S	S	.	.			trans	-89	163.5	172.5	73.2	171	-164.6	152.8	0	111.4	V143 S653 P654 A656	V143-K649 HydrophobicContact CG1-CB 4.48Å; K649-S653 PolarHBondContact NZ-O 3.13Å; K649-P654 PolarHBondContact NZ-O 3.21Å; K649-A656 HydrophobicContact CB-CB 4.15Å; K649-A656 HydrophobicContact CD-CB 4.03Å; K649-A656 WeakPolarHBondContact CD-O 3.37Å; K649-A656 WeakPolarHBondContact CE-O 3.23Å; K649-A656 PolarHBondContact NZ-O 3.11Å
650	D	95.3	Very high	91.3	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.			trans	-69.9	124.6	163.5	-159.7	-53	0	0	0	108	R595 W634 V635 H636 R652 S653	R595-D650 IonicContact CZ-OD2 2.65Å; R595-D650 IonicContact NH1-OD2 2.71Å; R595-D650 PolarHBondContact NH1-OD2 2.82Å; R595-D650 IonicContact NH2-OD2 3.79Å; R595-D650 PolarHBondContact NH2-OD2 3.38Å; W634-D650 HydrophobicContact CB-CB 4.26Å; V635-D650 PolarHBondContact N-OD2 2.72Å; V635-D650 VanDerWaalsContact N-OD2 3.1Å; V635-D650 WeakPolarHBondContact O-CB 3.44Å; H636-D650 PolarHBondContact CE1-N 3.45Å; H636-D650 PolarHBondContact ND1-N 3Å; D650-R652 PolarHBondContact O-N 2.76Å; D650-R652 VanDerWaalsContact O-N 3.15Å; D650-R652 WeakPolarHBondContact OD1-CB 3.36Å; D650-R652 IonicContact OD1-CZ 3.32Å; D650-R652 PolarHBondContact OD1-N 3.38Å; D650-R652 IonicContact OD1-NE 3.39Å; D650-R652 PolarHBondContact OD1-NE 3.41Å; D650-R652 IonicContact OD1-NH2 3.65Å; D650-R652 IonicContact OD2-CZ 2.62Å; D650-R652 IonicContact OD2-NE 3.83Å; D650-R652 IonicContact OD2-NH2 2.88Å; D650-S653 PolarHBondContact O-N 3.3Å; D650-S653 VanDerWaalsContact O-N 3.12Å
651	P	93.3	Very high	90.9	Very high	77 Å²	77	47 Å²	47	50%	0.5	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.1	180	26.6	-35.5	0	0	0	113.2	A592 S653	A592-P651 HydrophobicContact CB-CG 3.76Å; P651-S653 VanDerWaalsContact C-N 3.34Å
652	R	91.9	Very high	89.8	Confident	45 Å²	45	52.3 Å²	52.3	17%	0.17	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-12.3	178	-63.5	166.3	-74.9	-165	-22.3	113.7	L591 R593 R595 D608 V631 D650 P654	L591-R652 PolarHBondContact O-NH2 3.24Å; R593-R652 PolarHBondContact O-NH2 3.39Å; R595-R652 VanDerWaalsContact NH1-CZ 3.33Å; R595-R652 VanDerWaalsContact NH2-NH2 3.11Å; D608-R652 IonicContact OD1-NH1 2.86Å; D608-R652 IonicContact OD2-CZ 3.51Å; D608-R652 IonicContact OD2-NH1 3.68Å; D608-R652 PolarHBondContact OD2-NH1 2.99Å; V631-R652 HydrophobicContact CG1-CB 4.3Å; V631-R652 HydrophobicContact CG2-CB 4.12Å; V631-R652 HydrophobicContact CG2-CG 4.31Å; D650-R652 PolarHBondContact O-N 2.76Å; D650-R652 VanDerWaalsContact O-N 3.15Å; D650-R652 WeakPolarHBondContact OD1-CB 3.36Å; D650-R652 IonicContact OD1-CZ 3.32Å; D650-R652 PolarHBondContact OD1-N 3.38Å; D650-R652 IonicContact OD1-NE 3.39Å; D650-R652 PolarHBondContact OD1-NE 3.41Å; D650-R652 IonicContact OD1-NH2 3.65Å; D650-R652 IonicContact OD2-CZ 2.62Å; D650-R652 IonicContact OD2-NE 3.83Å; D650-R652 IonicContact OD2-NH2 2.88Å; R652-P654 WeakPolarHBondContact O-CD 3.32Å
653	S	91.8	Very high	90.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.277	C	S	.	.			trans	-87.1	112.7	171.3	176.6	0	0	0	0	109.3	K649 D650 P651 A656	K649-S653 PolarHBondContact NZ-O 3.13Å; D650-S653 PolarHBondContact O-N 3.3Å; D650-S653 VanDerWaalsContact O-N 3.12Å; P651-S653 VanDerWaalsContact C-N 3.34Å; S653-A656 WeakPolarHBondContact OG-CB 3.33Å; S653-A656 PolarHBondContact OG-N 2.83Å
654	P	87.9	Confident	90.9	Very high	63 Å²	63	46 Å²	46	41%	0.409	26%	0.261	S	S	.	.	S	Bend	trans	-68	-43.6	-173.5	26.7	-32.9	0	0	0	111.6	D271 K649 R652	D271-P654 VanDerWaalsContact OD1-CG 3.32Å; D271-P654 WeakPolarHBondContact OD1-CG 3.12Å; K649-P654 PolarHBondContact NZ-O 3.21Å; R652-P654 WeakPolarHBondContact O-CD 3.32Å
655	D	93.8	Very high	91.2	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.123	24%	0.238	C	C	.	.	S	Bend	trans	-90.4	-18.6	-170.4	-65.3	-36.3	0	0	0	114.1	D145 A146 A147 T269 H270 D271	D145-D655 CarbonylContact O-C 3.6Å; D145-D655 VanDerWaalsContact O-C 3.23Å; A146-D655 WeakPolarHBondContact CA-O 3.27Å; A147-D655 PolarHBondContact N-O 2.82Å; T269-D655 VanDerWaalsContact CB-CG 3.41Å; T269-D655 WeakPolarHBondContact CB-OD2 3.19Å; T269-D655 PolarHBondContact OG1-OD2 2.86Å; H270-D655 IonicContact CD2-OD1 2.75Å; H270-D655 PolarHBondContact N-OD1 3.47Å; H270-D655 PolarHBondContact N-OD2 3.42Å; D271-D655 VanDerWaalsContact CB-OD2 3.31Å; D271-D655 WeakPolarHBondContact CB-OD2 3.48Å; D271-D655 PolarHBondContact N-OD2 2.85Å
656	A	95.4	Very high	91.2	Very high	5 Å²	5	41.8 Å²	41.8	4%	0.041	25%	0.249	C	C	.	.			trans	-61.3	152.3	177.5	0	0	0	0	0	112	T144 D145 K649 S653	T144-A656 WeakPolarHBondContact O-CA 3.37Å; T144-A656 WeakPolarHBondContact O-CB 3.42Å; D145-A656 VanDerWaalsContact C-CA 3.49Å; D145-A656 VanDerWaalsContact O-CA 3.3Å; D145-A656 WeakPolarHBondContact O-CA 3.24Å; D145-A656 PolarHBondContact O-N 3.14Å; D145-A656 VanDerWaalsContact O-N 3.12Å; K649-A656 HydrophobicContact CB-CB 4.15Å; K649-A656 HydrophobicContact CD-CB 4.03Å; K649-A656 WeakPolarHBondContact CD-O 3.37Å; K649-A656 WeakPolarHBondContact CE-O 3.23Å; K649-A656 PolarHBondContact NZ-O 3.11Å; S653-A656 WeakPolarHBondContact OG-CB 3.33Å; S653-A656 PolarHBondContact OG-N 2.83Å
657	A	96.6	Very high	91.1	Very high	23 Å²	23	40.6 Å²	40.6	19%	0.19	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.3	171.3	0	0	0	0	0	111.5	V143 T144 A147 T150	V143-A657 WeakPolarHBondContact CA-O 3.43Å; T144-A657 PolarHBondContact N-O 3.34Å; T144-A657 VanDerWaalsContact N-O 3.17Å; T144-A657 PolarHBondContact O-N 3.38Å; T144-A657 VanDerWaalsContact O-N 3.1Å; A147-A657 HydrophobicContact CB-CB 3.76Å; T150-A657 HydrophobicContact CG2-CB 4.22Å; T150-A657 PolarHBondContact OG1-O 3.45Å; T150-A657 VanDerWaalsContact OG1-O 3.06Å
658	G	94.8	Very high	90.9	Very high	34 Å²	34	42.2 Å²	42.2	35%	0.351	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.8	166	0	0	0	0	0	108.8	V142	V142-G658 CarbonylContact O-C 3.19Å; V142-G658 WeakPolarHBondContact O-CA 3.17Å
659	A	93.8	Very high	90.6	Very high	33 Å²	33	43.9 Å²	43.9	27%	0.273	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.9	177.9	0	0	0	0	0	110.7	A141 V142 T150 I154 A647	A141-A659 WeakPolarHBondContact CA-O 3.4Å; V142-A659 PolarHBondContact N-O 2.95Å; V142-A659 PolarHBondContact O-N 3.14Å; T150-A659 HydrophobicContact CG2-CB 3.64Å; I154-A659 HydrophobicContact CD1-CB 3.9Å; I154-A659 HydrophobicContact CG1-CB 3.74Å; A647-A659 VanDerWaalsContact CB-O 3.31Å; A647-A659 WeakPolarHBondContact CB-O 3.47Å
660	T	89.9	Confident	90.3	Very high	55 Å²	55	42.4 Å²	42.4	34%	0.337	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.1	178.6	-57.7	0	0	0	0	109.5	G140 I645 A647 L662	G140-T660 CarbonylContact O-C 3.54Å; G140-T660 WeakPolarHBondContact O-CA 3.41Å; G140-T660 WeakPolarHBondContact O-CG2 3.44Å; I645-T660 WeakPolarHBondContact O-CG2 3.47Å; A647-T660 PolarHBondContact N-OG1 3.04Å; T660-L662 HydrophobicContact CG2-CD2 4.35Å
661	I	83.8	Confident	89.9	Confident	37 Å²	37	45.9 Å²	45.9	19%	0.19	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.6	167.6	-45.9	178.3	0	0	0	105.9	Q138 Q139 G140 I154 L157	Q138-I661 HydrophobicContact CB-CG2 4.44Å; Q138-I661 CarbonylContact O-C 3.54Å; Q138-I661 WeakPolarHBondContact O-CB 3.2Å; Q138-I661 WeakPolarHBondContact O-CG2 3.32Å; Q139-I661 WeakPolarHBondContact CA-O 3.39Å; G140-I661 PolarHBondContact N-O 3.46Å; G140-I661 PolarHBondContact O-N 2.75Å; I154-I661 HydrophobicContact CD1-CD1 4.07Å; I154-I661 HydrophobicContact CD1-CG1 3.56Å; I154-I661 HydrophobicContact CG2-CD1 3.95Å; I154-I661 HydrophobicContact CG2-CG1 3.86Å; L157-I661 HydrophobicContact CB-CD1 3.77Å; L157-I661 HydrophobicContact CD1-CD1 4.27Å
662	L	65.5	Low	89.6	Confident	156 Å²	156	43.1 Å²	43.1	82%	0.817	26%	0.264	S	S	*	.			trans	-91.6	0	-174.7	-77.3	176.2	0	0	0	113	F137 T660	F137-L662 WeakPolarHBondContact CB-OXT 3.46Å; F137-L662 WeakPolarHBondContact CD1-O 3.4Å; T660-L662 HydrophobicContact CG2-CD2 4.35Å

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