A0A087XS15_POEFO Loading...

Glutathione hydrolase

Cleaves the gamma-glutamyl peptide bond of glutathione and glutathione conjugates.

AlphaFold DB , UniProt , Accession A0A087XS15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 678 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	36.4	Very low	240 Å²	240	132.7 Å²	132.7	100%	1.182	81%	0.808	S	S	*	*				0	123.2	0	-90.2	169.5	170.8	0	0	107.9
2	H	36.6	Very low	36	Very low	184 Å²	184	140.4 Å²	140.4	85%	0.852	81%	0.814	S	S	*	*			trans	58.5	83.5	165.8	-63.8	-6.6	0	0	0	120
3	N	34.5	Very low	36.8	Very low	151 Å²	151	139 Å²	139	81%	0.807	81%	0.813	S	S	*	*				38.2	156.9	91.6	-117	27.2	0	0	0	118.8
4	P	59.4	Low	36	Very low	101 Å²	101	134.9 Å²	134.9	66%	0.656	82%	0.815	S	S	*	*				-143	173.1	-72.4	41.1	-22.8	0	0	0	115.5
5	A	35.6	Very low	35.4	Very low	91 Å²	91	131.5 Å²	131.5	75%	0.752	82%	0.818	S	S	*	*			trans	59.6	176.4	144.8	0	0	0	0	0	121
6	P	52	Low	34.9	Very low	109 Å²	109	131.4 Å²	131.4	71%	0.708	82%	0.824	S	S	*	*			cis	-139.8	168.4	-7.2	32.5	-9.5	0	0	0	117.8
7	E	31	Very low	34.4	Very low	175 Å²	175	127.4 Å²	127.4	82%	0.818	81%	0.814	S	S	*	*			trans	23.8	139.6	136.2	-58.6	175.1	140.9	0	0	124.8
8	A	29.7	Very low	34.1	Very low	98 Å²	98	127.8 Å²	127.8	81%	0.81	81%	0.814	S	S	*	*				-171.8	118.7	121.1	0	0	0	0	0	107.9
9	V	30.1	Very low	33.9	Very low	121 Å²	121	127.8 Å²	127.8	73%	0.733	81%	0.807	S	S	*	*			cis	85.5	121	47.5	-179.8	0	0	0	0	114.5
10	A	30.1	Very low	33.8	Very low	95 Å²	95	129.7 Å²	129.7	79%	0.785	80%	0.803	S	S	*	*			trans	79.9	144.7	155.5	0	0	0	0	0	118.2
11	A	28.6	Very low	33.6	Very low	95 Å²	95	129.7 Å²	129.7	79%	0.785	80%	0.797	S	S	*	*			cis	-161.2	152.8	11.4	0	0	0	0	0	111.4
12	Y	31.5	Very low	33.4	Very low	225 Å²	225	123.2 Å²	123.2	88%	0.882	78%	0.782	S	S	*	*			trans	-66.3	-178.2	156.7	-82.8	-87.3	0	0	0	111.2
13	P	45.7	Very low	33	Very low	122 Å²	122	120.7 Å²	120.7	79%	0.792	78%	0.775	S	S	*	*			cis	-142.3	-173.2	15.3	28.8	-1.1	0	0	0	115.7
14	G	26.2	Very low	32.6	Very low	82 Å²	82	123 Å²	123	85%	0.845	78%	0.781	S	S	*	*			trans	-76.8	-170.5	-173.4	0	0	0	0	0	117.7
15	G	26.4	Very low	31.2	Very low	84 Å²	84	125 Å²	125	87%	0.866	78%	0.781	S	S	*	*			trans	173.2	109.2	177.6	0	0	0	0	0	113.2
16	S	27.9	Very low	30.8	Very low	129 Å²	129	126.8 Å²	126.8	90%	0.902	78%	0.783	S	S	*	*			trans	-85.2	156.2	175.5	50.1	0	0	0	0	113.8
17	G	26.7	Very low	29.6	Very low	64 Å²	64	126.7 Å²	126.7	66%	0.66	78%	0.781	S	S	*	*			trans	139.7	110.6	161.5	0	0	0	0	0	111.7
18	V	28.9	Very low	29.4	Very low	134 Å²	134	126.3 Å²	126.3	81%	0.812	78%	0.784	S	S	*	*				59.2	115.9	68	-172.1	0	0	0	0	109.1
19	D	30.8	Very low	29.1	Very low	129 Å²	129	124.8 Å²	124.8	69%	0.69	78%	0.777	S	S	*	*				-176.2	166.7	50.1	-133	-12.4	0	0	0	112.8
20	K	31	Very low	28.9	Very low	164 Å²	164	125 Å²	125	71%	0.713	78%	0.784	S	S	*	*			trans	68.2	148.3	146.9	-70.4	-176.4	169.5	-178.4	0	122.7
21	D	30.2	Very low	28.9	Very low	130 Å²	130	124.5 Å²	124.5	70%	0.695	78%	0.78	S	S	*	*			cis	-171.9	146.6	-8.1	-109.3	-27	0	0	0	106.4
22	A	27.9	Very low	28.7	Very low	105 Å²	105	130.9 Å²	130.9	87%	0.868	79%	0.785	S	S	*	*			trans	-176.6	104.6	138	0	0	0	0	0	111.8
23	N	27.8	Very low	28.6	Very low	131 Å²	131	124.8 Å²	124.8	70%	0.701	78%	0.776	S	S	*	*			trans	-65.2	153.8	172	-95.4	-16	0	0	0	114.4
24	Q	27.3	Very low	28.1	Very low	198 Å²	198	124.4 Å²	124.4	93%	0.925	77%	0.773	S	S	*	*				-148.5	121.3	118.4	-128.4	171.1	10.9	0	0	111.7
25	E	29.2	Very low	28.4	Very low	143 Å²	143	126 Å²	126	67%	0.668	77%	0.767	S	S	*	*			trans	-81	158.8	178.6	-64.3	173.6	130	0	0	112.9
26	T	27	Very low	28.3	Very low	129 Å²	129	129.7 Å²	129.7	79%	0.791	77%	0.766	S	S	*	*				-177	103	118.7	23	0	0	0	0	107.9
27	T	27.7	Very low	28.2	Very low	107 Å²	107	133.2 Å²	133.2	66%	0.656	76%	0.761	S	S	*	*				60	134	92.1	58.2	0	0	0	0	113.1
28	L	26.6	Very low	28.2	Very low	168 Å²	168	138.8 Å²	138.8	88%	0.88	77%	0.772	S	S	*	*			cis	-152.8	147.4	12	-86.1	121.1	0	0	0	104.9
29	G	23.9	Very low	28.1	Very low	65 Å²	65	137.6 Å²	137.6	67%	0.67	77%	0.77	S	S	*	*				103.7	109.4	58.3	0	0	0	0	0	110.2
30	S	25.2	Very low	28.1	Very low	125 Å²	125	139.1 Å²	139.1	87%	0.874	78%	0.777	S	S	*	*			trans	163	127.5	130.8	51.3	0	0	0	0	111.5
31	A	29.7	Very low	28	Very low	85 Å²	85	137.1 Å²	137.1	70%	0.702	78%	0.778	S	S	*	*			trans	-62.9	153	163.6	0	0	0	0	0	110.6
32	Y	25.6	Very low	28	Very low	229 Å²	229	136.6 Å²	136.6	90%	0.898	78%	0.784	S	S	*	*			trans	-174.5	123.6	131.7	-100.5	-73.2	0	0	0	109.4
33	S	29	Very low	28.1	Very low	98 Å²	98	141.1 Å²	141.1	69%	0.685	79%	0.785	S	S	*	*			trans	-70.9	145.9	147.3	175.4	0	0	0	0	107.6
34	P	34.5	Very low	28.3	Very low	114 Å²	114	140.6 Å²	140.6	74%	0.74	79%	0.789	S	S	*	*				-143.4	155.5	110.9	33.2	-16.3	0	0	0	114.6
35	V	32.6	Very low	28.4	Very low	116 Å²	116	143.1 Å²	143.1	70%	0.703	79%	0.79	S	S	*	*			trans	-55.8	136.4	160.1	179.9	0	0	0	0	109.8
36	D	25.3	Very low	28.5	Very low	161 Å²	161	144.1 Å²	144.1	86%	0.861	80%	0.799	S	S	*	*			trans	-157.1	149	144.4	-107.4	-26.3	0	0	0	114.1
37	Y	26.4	Very low	28.8	Very low	203 Å²	203	143.7 Å²	143.7	80%	0.796	80%	0.798	S	S	*	*			trans	-80	163.8	-171.3	-109.3	-103.6	0	0	0	114.1
38	M	25.5	Very low	28.9	Very low	180 Å²	180	148 Å²	148	89%	0.887	81%	0.811	S	S	*	*			trans	72.7	141.7	163.1	-67.1	-178.4	159.3	0	0	115.9
39	S	26.8	Very low	29	Very low	109 Å²	109	147.8 Å²	147.8	76%	0.762	81%	0.811	S	S	*	*			cis	-160.9	143.3	31.3	49.8	0	0	0	0	111.9
40	I	31.7	Very low	29.2	Very low	162 Å²	162	152.9 Å²	152.9	83%	0.831	82%	0.823	S	S	*	*			trans	-70.1	123.3	164.3	-66.1	162.6	0	0	0	108.7
41	T	28.8	Very low	29.3	Very low	122 Å²	122	153.3 Å²	153.3	75%	0.748	82%	0.82	S	S	*	*			trans	170.6	104.9	136.2	48.9	0	0	0	0	110.1
42	S	29.4	Very low	29.2	Very low	118 Å²	118	156 Å²	156	83%	0.825	83%	0.828	S	S	*	*			trans	-154.7	94.2	157.5	58.1	0	0	0	0	109.6
43	F	30.8	Very low	29.2	Very low	200 Å²	200	150.9 Å²	150.9	88%	0.877	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-78.2	137.8	166.8	-78.4	-85.6	0	0	0	109.8
44	P	32.4	Very low	29.1	Very low	121 Å²	121	150 Å²	150	79%	0.786	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-77.8	140.2	172.3	23.2	-19.4	0	0	0	111.8
45	R	28.5	Very low	28.7	Very low	251 Å²	251	153 Å²	153	95%	0.947	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-70.7	135.2	176.7	-71.3	177.7	171.5	143.5	-2.9	111.1
46	L	30.4	Very low	28.5	Very low	164 Å²	164	153.9 Å²	153.9	86%	0.859	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-86.7	149.5	165.2	-74.1	163.6	0	0	0	110.1
47	P	33.6	Very low	28.5	Very low	120 Å²	120	152.5 Å²	152.5	78%	0.779	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-82.3	150.8	179	19.8	-8.1	0	0	0	113
48	E	29.4	Very low	28.4	Very low	198 Å²	198	151.4 Å²	151.4	93%	0.925	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-77.2	140.8	179.3	-63.9	177.6	153.3	0	0	111.9
49	D	29.4	Very low	28.5	Very low	162 Å²	162	152.6 Å²	152.6	87%	0.866	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-83.6	131.5	173.8	-78.6	-41.9	0	0	0	111.6
50	D	27.5	Very low	28.5	Very low	172 Å²	172	152.6 Å²	152.6	92%	0.92	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-94.1	136.7	167.7	-98	-31	0	0	0	111.3
51	V	28.1	Very low	28.2	Very low	134 Å²	134	156.6 Å²	156.6	81%	0.812	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-88.5	127.5	-179	177	0	0	0	0	110.5
52	T	27.3	Very low	28.2	Very low	143 Å²	143	158.7 Å²	158.7	88%	0.877	85%	0.845	S	S	*	*			trans	-142.6	131	150.1	49.2	0	0	0	0	112.6
53	S	26.8	Very low	28.1	Very low	121 Å²	121	159 Å²	159	85%	0.846	84%	0.837	S	S	*	*			trans	-68.3	151.2	177.3	53.2	0	0	0	0	115.1
54	G	26.5	Very low	28.1	Very low	80 Å²	80	155.7 Å²	155.7	83%	0.825	83%	0.829	S	S	*	*			trans	-177.7	111.6	160.2	0	0	0	0	0	113.4
55	E	26.2	Very low	27.9	Very low	177 Å²	177	157.1 Å²	157.1	83%	0.827	83%	0.83	S	S	*	*			trans	-64	145.5	-178.7	-58.6	166.8	126.8	0	0	114.2
56	N	27	Very low	27.9	Very low	134 Å²	134	151.8 Å²	151.8	72%	0.717	82%	0.82	S	S	*	*				168.3	118.7	107.8	-92.8	-40.1	0	0	0	115.3
57	T	25.7	Very low	27.6	Very low	132 Å²	132	149.8 Å²	149.8	81%	0.81	81%	0.814	S	S	*	*			trans	44.8	115.1	137.1	51.2	0	0	0	0	122.2
58	L	25.4	Very low	27.3	Very low	179 Å²	179	152 Å²	152	94%	0.937	82%	0.818	S	S	*	*			trans	-103.1	139.2	156.3	-113.6	139.1	0	0	0	110.2
59	K	27.5	Very low	27.1	Very low	205 Å²	205	147.3 Å²	147.3	89%	0.891	81%	0.808	S	S	*	*			trans	-105.1	106.7	172.6	-108.8	-178.3	179.2	176.1	0	111
60	S	25.5	Very low	27.2	Very low	109 Å²	109	149.1 Å²	149.1	76%	0.762	81%	0.811	S	S	*	*			trans	21.3	129.6	136.2	144.3	0	0	0	0	120.6
61	R	26.8	Very low	27.2	Very low	247 Å²	247	150.1 Å²	150.1	93%	0.932	81%	0.81	S	S	*	*				-156	131.4	122	-112.6	173.8	178.1	162.8	-1.3	112.7
62	K	27.7	Very low	27.3	Very low	166 Å²	166	151.8 Å²	151.8	72%	0.722	82%	0.815	S	S	*	*			trans	-78	161.2	172.4	-131.1	179.1	158.6	-156.2	0	109.6
63	D	28.2	Very low	27.7	Very low	124 Å²	124	151.2 Å²	151.2	66%	0.663	81%	0.811	S	S	*	*			cis	-158.2	133.8	43.4	-74.1	-57	0	0	0	108.3
64	D	29.6	Very low	28.2	Very low	130 Å²	130	150.8 Å²	150.8	70%	0.695	80%	0.799	S	S	*	*				62.6	113	97.5	-70.4	-25.7	0	0	0	117.7
65	D	28.6	Very low	28.8	Very low	152 Å²	152	152.2 Å²	152.2	81%	0.813	79%	0.794	S	S	*	*				-172.7	117.7	121	-99.2	-23.8	0	0	0	114.9
66	N	27.9	Very low	29.4	Very low	139 Å²	139	149.5 Å²	149.5	74%	0.743	79%	0.785	S	S	*	*			trans	58.1	107.3	141.7	-75.2	-31.8	0	0	0	126.5
67	V	25.9	Very low	29.9	Very low	121 Å²	121	149.9 Å²	149.9	73%	0.733	79%	0.786	S	S	*	*				57.2	110.5	116.4	-175	0	0	0	0	119.9
68	L	27.2	Very low	30.7	Very low	166 Å²	166	152.3 Å²	152.3	87%	0.869	79%	0.786	S	S	*	*				-160.7	144.4	112.8	-97.3	164.8	0	0	0	110.2
69	S	24.5	Very low	31.3	Very low	101 Å²	101	151.2 Å²	151.2	71%	0.706	78%	0.78	S	S	*	*			trans	-79.1	135.4	-160.8	49	0	0	0	0	116.4
70	E	30.7	Very low	31.7	Very low	199 Å²	199	150.7 Å²	150.7	93%	0.93	78%	0.778	S	S	*	*			trans	-144.2	141.5	141.5	-74.2	-162	145.7	0	0	110.1
71	Q	29.2	Very low	32.2	Very low	193 Å²	193	150.3 Å²	150.3	90%	0.902	78%	0.775	S	S	*	*			trans	-80.7	112	-169.2	-101.1	164.2	-29.9	0	0	111.6
72	D	29.3	Very low	32.6	Very low	169 Å²	169	143.3 Å²	143.3	90%	0.904	77%	0.77	S	S	*	*			trans	-85.3	117.7	160.5	-96.6	-31.8	0	0	0	109.4
73	T	35.9	Very low	32.8	Very low	131 Å²	131	147 Å²	147	80%	0.804	78%	0.78	S	S	*	*			trans	-105.5	107.1	165.5	40.4	0	0	0	0	110.2
74	D	36.3	Very low	33	Very low	112 Å²	112	148.9 Å²	148.9	60%	0.599	79%	0.789	S	S	*	*			trans	-46.5	127.7	171	-167.7	-0.2	0	0	0	113.7	D76	D74-D76 VanDerWaalsContact C-N 3.27Å; D74-D76 PolarHBondContact O-N 3.39Å
75	P	39.1	Very low	33.1	Very low	110 Å²	110	152 Å²	152	71%	0.714	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-77	-1.2	-175.7	30.3	-34.2	0	0	0	115.1	L77	P75-L77 PolarHBondContact O-N 3.23Å
76	D	39.4	Very low	33.4	Very low	121 Å²	121	155.8 Å²	155.8	65%	0.647	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-88.7	7.5	-172.4	-87.6	-11.5	0	0	0	116	D74	D74-D76 VanDerWaalsContact C-N 3.27Å; D74-D76 PolarHBondContact O-N 3.39Å
77	L	38.3	Very low	33.6	Very low	141 Å²	141	157.1 Å²	157.1	74%	0.738	81%	0.809	S	S	*	*	G	3₁₀ helix	trans	-95.8	-7.9	179	-90.3	159.5	0	0	0	115.3	P75	P75-L77 PolarHBondContact O-N 3.23Å
78	F	40.9	Very low	34.1	Very low	183 Å²	183	156.8 Å²	156.8	80%	0.803	81%	0.809	S	S	*	*	S	Bend	trans	-87.9	-15.8	-179	-158.2	-100.4	0	0	0	114.1
79	L	38.3	Very low	34.3	Very low	156 Å²	156	154.4 Å²	154.4	82%	0.817	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	6.5	-175.3	-71.1	171.5	0	0	0	115.1
80	K	36.2	Very low	34.6	Very low	195 Å²	195	155 Å²	155	85%	0.848	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	5.9	178.9	-90.9	179	179	168	0	115.9
81	S	37.1	Very low	34.7	Very low	100 Å²	100	150 Å²	150	70%	0.699	80%	0.802	S	S	*	*	S	Bend	trans	-125.2	34.5	-174.8	58.1	0	0	0	0	115.8
82	A	34.5	Very low	35	Very low	100 Å²	100	146 Å²	146	83%	0.826	80%	0.796	S	S	*	*			trans	-139.8	64.8	168.4	0	0	0	0	0	112.4
83	R	32.6	Very low	35.2	Very low	245 Å²	245	145.8 Å²	145.8	93%	0.925	80%	0.795	S	S	*	*			trans	-90.8	109.8	164.9	-116.2	-177.8	179.7	177.2	0.4	109.7	Q85	R83-Q85 PolarHBondContact O-N 3.02Å
84	L	32.3	Very low	35.2	Very low	163 Å²	163	147 Å²	147	85%	0.853	80%	0.796	S	S	*	*			trans	-19.9	109.5	163.1	-76.2	141.3	0	0	0	115.4
85	Q	31.4	Very low	35.1	Very low	194 Å²	194	146.7 Å²	146.7	91%	0.907	81%	0.809	S	S	*	*			trans	-88.5	105	158.1	-78.3	-175.9	-27.4	0	0	109.1	R83	R83-Q85 PolarHBondContact O-N 3.02Å
86	R	35.4	Very low	34.9	Very low	232 Å²	232	144.9 Å²	144.9	88%	0.875	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77.9	121.1	163.1	-77.9	179.9	178	163.1	-0.7	108.4
87	L	31.4	Very low	34.9	Very low	168 Å²	168	148.2 Å²	148.2	88%	0.88	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-84.8	138.6	163.3	-76.5	165.4	0	0	0	109.5
88	P	35.2	Very low	34.9	Very low	113 Å²	113	149.2 Å²	149.2	73%	0.734	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-80	130.7	-172.6	29.5	-32.4	0	0	0	112.9
89	S	31.2	Very low	35.2	Very low	116 Å²	116	147.4 Å²	147.4	81%	0.811	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-67.9	122.4	162.3	-178.3	0	0	0	0	109.2
90	S	31.3	Very low	35.3	Very low	115 Å²	115	144.5 Å²	144.5	80%	0.804	83%	0.83	S	S	*	*			trans	-103.4	104.1	169.2	-66	0	0	0	0	108.5
91	A	33.1	Very low	35.4	Very low	92 Å²	92	140.5 Å²	140.5	76%	0.76	83%	0.827	S	S	*	*			trans	-142.9	113.4	159.1	0	0	0	0	0	107.1
92	S	35.4	Very low	35.3	Very low	111 Å²	111	144.3 Å²	144.3	78%	0.776	84%	0.838	S	S	*	*			trans	-78.1	134.7	-165.8	-52.3	0	0	0	0	112.7
93	D	33.7	Very low	35.7	Very low	164 Å²	164	150.4 Å²	150.4	88%	0.877	84%	0.84	S	S	*	*			trans	-79.1	121	149.2	-95.9	-32.2	0	0	0	108.3
94	L	36	Very low	36.2	Very low	156 Å²	156	147.3 Å²	147.3	82%	0.817	84%	0.836	S	S	*	*			trans	-150.7	93.7	160.2	-109.4	149.4	0	0	0	108.9	G96	L94-G96 PolarHBondContact O-N 3.1Å
95	A	34.4	Very low	36.9	Very low	106 Å²	106	145.3 Å²	145.3	88%	0.876	83%	0.83	S	S	*	*			trans	-61.7	114.5	152.2	0	0	0	0	0	108.1
96	G	34.5	Very low	37.7	Very low	71 Å²	71	142.4 Å²	142.4	73%	0.732	83%	0.826	S	S	*	*			trans	-118.6	104.4	166.5	0	0	0	0	0	109.1	L94	L94-G96 PolarHBondContact O-N 3.1Å
97	Q	40.2	Very low	38.4	Very low	191 Å²	191	137.2 Å²	137.2	89%	0.893	82%	0.82	S	S	*	*			trans	-83.3	108.2	151.3	-82.5	-179.7	-32.7	0	0	106
98	D	38.7	Very low	39.3	Very low	163 Å²	163	133.9 Å²	133.9	87%	0.872	80%	0.803	S	S	*	*			trans	-166.8	141.7	141.7	-98.4	-27.2	0	0	0	111.8
99	V	46.9	Very low	40	Very low	144 Å²	144	133.5 Å²	133.5	87%	0.873	80%	0.8	S	S	*	*			trans	-79	124	-161.3	176.1	0	0	0	0	111.3
100	A	40.1	Very low	41	Very low	96 Å²	96	136.6 Å²	136.6	79%	0.793	80%	0.8	S	S	*	*			trans	-142.4	131.9	158.2	0	0	0	0	0	110.4
101	S	38.6	Very low	41.7	Very low	111 Å²	111	136.9 Å²	136.9	78%	0.776	80%	0.797	S	S	*	*			trans	-52.6	129.1	-165.7	52.6	0	0	0	0	115.8	R103	S101-R103 PolarHBondContact O-N 3.34Å
102	L	33.5	Very low	42.4	Very low	180 Å²	180	140.8 Å²	140.8	94%	0.942	80%	0.799	S	S	*	*			trans	-51.2	120.9	162.4	-74	156.8	0	0	0	110.3
103	R	44.6	Very low	43.1	Very low	228 Å²	228	143.8 Å²	143.8	86%	0.86	81%	0.807	S	S	*	*			trans	-109.8	106.3	163.6	-155.6	178.6	-169.2	-175.1	2.8	106.5	S101 T105	S101-R103 PolarHBondContact O-N 3.34Å; R103-T105 PolarHBondContact O-N 2.93Å
104	E	42	Very low	44	Very low	180 Å²	180	141.4 Å²	141.4	84%	0.841	80%	0.801	S	S	*	*			trans	-58.6	117.6	171	-86.7	177.3	145.6	0	0	109.4
105	T	47.4	Very low	44.9	Very low	120 Å²	120	138.5 Å²	138.5	74%	0.736	80%	0.8	S	S	*	*			trans	-110.3	102.1	159.7	48.9	0	0	0	0	107.4	R103 V107	R103-T105 PolarHBondContact O-N 2.93Å; T105-V107 PolarHBondContact O-N 2.88Å
106	T	47.9	Very low	45.9	Very low	133 Å²	133	138.8 Å²	138.8	82%	0.816	79%	0.794	S	S	*	*			trans	-75	71.5	172.5	46.6	0	0	0	0	110.5
107	V	51.3	Low	47	Very low	124 Å²	124	141.9 Å²	141.9	75%	0.752	79%	0.79	S	S	*	*			trans	-143.1	115	166.3	-174.6	0	0	0	0	108.7	T105 P109	T105-V107 PolarHBondContact O-N 2.88Å; V107-P109 WeakPolarHBondContact O-CD 3.49Å
108	D	48.6	Very low	47.8	Very low	97 Å²	97	143.9 Å²	143.9	52%	0.519	79%	0.789	S	S	.	*			trans	-80.4	115.6	174.5	-177.5	-2	0	0	0	109.6	F110 T111	D108-F110 PolarHBondContact O-N 3.08Å; D108-F110 PolarHBondContact OD1-N 2.8Å; D108-F110 VanDerWaalsContact OD1-N 3.1Å; D108-T111 PolarHBondContact O-OG1 3.2Å
109	P	51.5	Low	48.9	Very low	105 Å²	105	140.3 Å²	140.3	68%	0.682	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	5.1	-177.6	33	-33	0	0	0	113.8	V107	V107-P109 WeakPolarHBondContact O-CD 3.49Å
110	F	51	Low	50.2	Low	182 Å²	182	135.3 Å²	135.3	80%	0.798	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	20	-178.4	-64.1	-73.8	0	0	0	114.4	D108 E112	D108-F110 PolarHBondContact O-N 3.08Å; D108-F110 PolarHBondContact OD1-N 2.8Å; D108-F110 VanDerWaalsContact OD1-N 3.1Å; F110-E112 VanDerWaalsContact C-N 3.35Å
111	T	47.2	Very low	52.2	Low	121 Å²	121	136.4 Å²	136.4	74%	0.742	74%	0.739	S	S	*	*			trans	-96.9	34	172.4	44.9	0	0	0	0	113.5	D108	D108-T111 PolarHBondContact O-OG1 3.2Å
112	E	46.5	Very low	54.2	Low	174 Å²	174	135 Å²	135	81%	0.813	73%	0.726	S	S	*	*	S	Bend	trans	-123.6	122.7	160.6	-78.3	-168.7	155.2	0	0	110.3	F110 C114	F110-E112 VanDerWaalsContact C-N 3.35Å; E112-C114 PolarHBondContact O-N 3.28Å
113	D	51.2	Low	56.6	Low	174 Å²	174	130.9 Å²	130.9	93%	0.93	71%	0.709	S	S	*	*			trans	-51.9	96.7	-179.9	-73.8	-52.3	0	0	0	112.3	A115	D113-A115 PolarHBondContact O-N 3.15Å
114	C	51	Low	58.7	Low	113 Å²	113	125 Å²	125	76%	0.764	69%	0.693	S	S	*	*			trans	-89.5	87.7	174.9	-144.4	0	0	0	0	109.9	E112 C116	E112-C114 PolarHBondContact O-N 3.28Å; C114-C116 PolarHBondContact O-N 3.43Å
115	A	55.3	Low	60.9	Low	95 Å²	95	120.6 Å²	120.6	79%	0.785	67%	0.674	S	S	*	*			trans	-69.1	69.3	169.4	0	0	0	0	0	111.3	D113 Q117	D113-A115 PolarHBondContact O-N 3.15Å; A115-Q117 VanDerWaalsContact C-N 3.33Å; A115-Q117 PolarHBondContact O-N 3.02Å; A115-Q117 VanDerWaalsContact O-N 3.08Å
116	C	56.7	Low	63	Low	113 Å²	113	118.3 Å²	118.3	76%	0.764	66%	0.66	S	S	*	*			trans	-85.6	77.4	173.4	-99.8	0	0	0	0	111.6	C114	C114-C116 PolarHBondContact O-N 3.43Å
117	Q	56.6	Low	65.1	Low	136 Å²	136	114.4 Å²	114.4	64%	0.636	64%	0.642	S	S	*	*			trans	34.7	110.9	138.6	-73.1	-175.9	-50.5	0	0	120.5	A115 D119	A115-Q117 VanDerWaalsContact C-N 3.33Å; A115-Q117 PolarHBondContact O-N 3.02Å; A115-Q117 VanDerWaalsContact O-N 3.08Å; Q117-D119 HydrophobicContact CB-CB 4.01Å; Q117-D119 HydrophobicContact CG-CB 4.23Å; Q117-D119 WeakPolarHBondContact CG-OD2 3.46Å; Q117-D119 PolarHBondContact NE2-OD2 3.34Å; Q117-D119 PolarHBondContact O-N 3.32Å; Q117-D119 VanDerWaalsContact O-N 3.15Å
118	R	56.7	Low	67.1	Low	233 Å²	233	112.3 Å²	112.3	88%	0.879	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-14	148.7	-93.3	178.5	166.6	108.3	-2.6	113.8	T122	R118-T122 PolarHBondContact O-OG1 3.33Å
119	D	62.5	Low	69.3	Low	87 Å²	87	112.8 Å²	112.8	47%	0.465	63%	0.634	S	S	.	*	H	α-helix	trans	-71.7	-31.9	-171.1	-59.7	-27.7	0	0	0	113.9	Q117 L121 T122 V123	Q117-D119 HydrophobicContact CB-CB 4.01Å; Q117-D119 HydrophobicContact CG-CB 4.23Å; Q117-D119 WeakPolarHBondContact CG-OD2 3.46Å; Q117-D119 PolarHBondContact NE2-OD2 3.34Å; Q117-D119 PolarHBondContact O-N 3.32Å; Q117-D119 VanDerWaalsContact O-N 3.15Å; D119-L121 PolarHBondContact O-N 3.33Å; D119-T122 PolarHBondContact O-N 3.11Å; D119-V123 VanDerWaalsContact O-CG2 3.29Å; D119-V123 WeakPolarHBondContact O-CG2 3.5Å; D119-V123 PolarHBondContact O-N 3.45Å
120	G	74.3	Confident	71.4	Confident	39 Å²	39	112.1 Å²	112.1	40%	0.402	63%	0.628	S	S	.	*	H	α-helix	trans	-63.8	-41.5	-177.4	0	0	0	0	0	113.3	V123 I124	G120-V123 PolarHBondContact O-N 3.45Å; G120-I124 VanDerWaalsContact O-CG1 3.3Å; G120-I124 WeakPolarHBondContact O-CG1 3.4Å; G120-I124 PolarHBondContact O-N 2.93Å; G120-I124 VanDerWaalsContact O-N 3.11Å
121	L	81	Confident	73.5	Confident	119 Å²	119	110.7 Å²	110.7	62%	0.623	62%	0.621	S	S	*	*	H	α-helix	trans	-67.3	-40.3	178.1	-174.4	72.1	0	0	0	111.4	D119 I124 I125	D119-L121 PolarHBondContact O-N 3.33Å; L121-I124 PolarHBondContact O-N 2.7Å; L121-I125 HydrophobicContact CD1-CD1 4.32Å; L121-I125 HydrophobicContact CD2-CD1 4.38Å; L121-I125 HydrophobicContact CG-CD1 3.89Å; L121-I125 VanDerWaalsContact O-CG1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.39Å; L121-I125 PolarHBondContact O-N 2.92Å
122	T	81	Confident	75.7	Confident	82 Å²	82	107.3 Å²	107.3	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-65.7	-38.6	178.4	-51.5	0	0	0	0	111.6	R118 D119 T126	R118-T122 PolarHBondContact O-OG1 3.33Å; D119-T122 PolarHBondContact O-N 3.11Å; T122-T126 HydrophobicContact CG2-CG2 4.5Å; T122-T126 WeakPolarHBondContact O-CB 3.29Å; T122-T126 VanDerWaalsContact O-CG2 3.3Å; T122-T126 WeakPolarHBondContact O-CG2 3.31Å; T122-T126 PolarHBondContact O-N 3.33Å; T122-T126 PolarHBondContact O-OG1 2.98Å
123	V	85.2	Confident	78.1	Confident	94 Å²	94	102.9 Å²	102.9	57%	0.57	59%	0.591	S	S	*	*	H	α-helix	trans	-65.4	-41	175.1	173.2	0	0	0	0	111.5	D119 G120 T126 A127	D119-V123 VanDerWaalsContact O-CG2 3.29Å; D119-V123 WeakPolarHBondContact O-CG2 3.5Å; D119-V123 PolarHBondContact O-N 3.45Å; G120-V123 PolarHBondContact O-N 3.45Å; V123-T126 WeakPolarHBondContact CA-OG1 3.3Å; V123-T126 PolarHBondContact O-OG1 3.05Å; V123-T126 VanDerWaalsContact O-OG1 3.05Å; V123-A127 VanDerWaalsContact O-CB 3.28Å; V123-A127 WeakPolarHBondContact O-CB 3.3Å; V123-A127 PolarHBondContact O-N 3Å
124	I	87.4	Confident	80.2	Confident	105 Å²	105	96.6 Å²	96.6	54%	0.538	57%	0.567	S	S	.	*	H	α-helix	trans	-65.7	-47.2	177.6	-66.9	165	0	0	0	110.9	G120 L121 T126 A127 C128	G120-I124 VanDerWaalsContact O-CG1 3.3Å; G120-I124 WeakPolarHBondContact O-CG1 3.4Å; G120-I124 PolarHBondContact O-N 2.93Å; G120-I124 VanDerWaalsContact O-N 3.11Å; L121-I124 PolarHBondContact O-N 2.7Å; I124-T126 PolarHBondContact O-N 2.8Å; I124-A127 PolarHBondContact O-N 2.96Å; I124-C128 WeakPolarHBondContact O-CB 3.28Å; I124-C128 PolarHBondContact O-N 3.49Å; I124-C128 PolarHBondContact O-SG 2.97Å; I124-C128 VanDerWaalsContact O-SG 3.34Å
125	I	88.9	Confident	82.2	Confident	87 Å²	87	94 Å²	94	45%	0.446	55%	0.548	S	S	.	.	H	α-helix	trans	-63.3	-43.1	-179.2	-68.5	170	0	0	0	110.9	L121 C128 L129	L121-I125 HydrophobicContact CD1-CD1 4.32Å; L121-I125 HydrophobicContact CD2-CD1 4.38Å; L121-I125 HydrophobicContact CG-CD1 3.89Å; L121-I125 VanDerWaalsContact O-CG1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.39Å; L121-I125 PolarHBondContact O-N 2.92Å; I125-C128 PolarHBondContact O-N 3.38Å; I125-L129 HydrophobicContact CG2-CD1 3.9Å; I125-L129 HydrophobicContact CG2-CG 4.42Å; I125-L129 WeakPolarHBondContact O-CB 3.41Å; I125-L129 WeakPolarHBondContact O-CG 3.29Å; I125-L129 PolarHBondContact O-N 2.97Å
126	T	90.6	Very high	84.1	Confident	71 Å²	71	93.1 Å²	93.1	44%	0.436	53%	0.532	S	S	.	.	H	α-helix	trans	-67	-38.8	178.4	48.4	0	0	0	0	112.1	T122 V123 I124 L129 T130	T122-T126 HydrophobicContact CG2-CG2 4.5Å; T122-T126 WeakPolarHBondContact O-CB 3.29Å; T122-T126 VanDerWaalsContact O-CG2 3.3Å; T122-T126 WeakPolarHBondContact O-CG2 3.31Å; T122-T126 PolarHBondContact O-N 3.33Å; T122-T126 PolarHBondContact O-OG1 2.98Å; V123-T126 WeakPolarHBondContact CA-OG1 3.3Å; V123-T126 PolarHBondContact O-OG1 3.05Å; V123-T126 VanDerWaalsContact O-OG1 3.05Å; I124-T126 PolarHBondContact O-N 2.8Å; T126-L129 PolarHBondContact O-N 3Å; T126-T130 WeakPolarHBondContact O-CB 3.41Å; T126-T130 VanDerWaalsContact O-CG2 3.25Å; T126-T130 WeakPolarHBondContact O-CG2 3.25Å; T126-T130 PolarHBondContact O-N 2.88Å; T126-T130 PolarHBondContact O-OG1 3.31Å
127	A	92.2	Very high	85.8	Confident	52 Å²	52	91.7 Å²	91.7	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-63.8	-42.8	173.2	0	0	0	0	0	112.3	V123 I124 T130 F131	V123-A127 VanDerWaalsContact O-CB 3.28Å; V123-A127 WeakPolarHBondContact O-CB 3.3Å; V123-A127 PolarHBondContact O-N 3Å; I124-A127 PolarHBondContact O-N 2.96Å; A127-T130 WeakPolarHBondContact CA-OG1 3.25Å; A127-T130 PolarHBondContact O-OG1 2.98Å; A127-F131 VanDerWaalsContact O-CB 3.29Å; A127-F131 WeakPolarHBondContact O-CB 3.37Å; A127-F131 PolarHBondContact O-N 3.47Å
128	C	93.4	Very high	87.4	Confident	80 Å²	80	87.8 Å²	87.8	54%	0.541	51%	0.511	S	S	.	.	H	α-helix	trans	-65.5	-43	176.8	-71.2	0	0	0	0	112.3	I124 I125 A132	I124-C128 WeakPolarHBondContact O-CB 3.28Å; I124-C128 PolarHBondContact O-N 3.49Å; I124-C128 PolarHBondContact O-SG 2.97Å; I124-C128 VanDerWaalsContact O-SG 3.34Å; I125-C128 PolarHBondContact O-N 3.38Å; C128-A132 VanDerWaalsContact O-CB 3.25Å; C128-A132 WeakPolarHBondContact O-CB 3.44Å; C128-A132 PolarHBondContact O-N 2.86Å
129	L	94.9	Very high	88.9	Confident	107 Å²	107	81 Å²	81	56%	0.56	49%	0.492	S	S	*	.	H	α-helix	trans	-65.2	-46.1	178.4	-76.2	171.7	0	0	0	111.5	I125 T126 F131 A132 T133	I125-L129 HydrophobicContact CG2-CD1 3.9Å; I125-L129 HydrophobicContact CG2-CG 4.42Å; I125-L129 WeakPolarHBondContact O-CB 3.41Å; I125-L129 WeakPolarHBondContact O-CG 3.29Å; I125-L129 PolarHBondContact O-N 2.97Å; T126-L129 PolarHBondContact O-N 3Å; L129-F131 PolarHBondContact O-N 3.46Å; L129-A132 PolarHBondContact O-N 3.41Å; L129-T133 WeakPolarHBondContact O-CB 3.49Å; L129-T133 WeakPolarHBondContact O-CG2 3.29Å; L129-T133 PolarHBondContact O-N 3.16Å; L129-T133 PolarHBondContact O-OG1 2.86Å
130	T	94.9	Very high	90.1	Very high	91 Å²	91	81.5 Å²	81.5	56%	0.558	49%	0.493	S	S	*	.	H	α-helix	trans	-62.3	-42.9	178.3	49.8	0	0	0	0	111.6	T126 A127 T133 G134	T126-T130 WeakPolarHBondContact O-CB 3.41Å; T126-T130 VanDerWaalsContact O-CG2 3.25Å; T126-T130 WeakPolarHBondContact O-CG2 3.25Å; T126-T130 PolarHBondContact O-N 2.88Å; T126-T130 PolarHBondContact O-OG1 3.31Å; A127-T130 WeakPolarHBondContact CA-OG1 3.25Å; A127-T130 PolarHBondContact O-OG1 2.98Å; T130-T133 WeakPolarHBondContact CA-OG1 3.23Å; T130-T133 PolarHBondContact O-N 2.69Å; T130-T133 PolarHBondContact O-OG1 2.95Å; T130-G134 PolarHBondContact O-N 2.83Å
131	F	95.3	Very high	90.6	Very high	151 Å²	151	84.6 Å²	84.6	66%	0.662	50%	0.499	S	S	*	.	H	α-helix	trans	-62.9	-47.7	174.4	-175.7	-99.8	0	0	0	112.1	A127 L129 T133 G134 V135	A127-F131 VanDerWaalsContact O-CB 3.29Å; A127-F131 WeakPolarHBondContact O-CB 3.37Å; A127-F131 PolarHBondContact O-N 3.47Å; L129-F131 PolarHBondContact O-N 3.46Å; F131-T133 VanDerWaalsContact C-N 3.34Å; F131-T133 PolarHBondContact O-N 2.96Å; F131-G134 PolarHBondContact O-N 3.06Å; F131-G134 VanDerWaalsContact O-N 3.16Å; F131-V135 HydrophobicContact CD1-CG2 4.15Å; F131-V135 HydrophobicContact CE1-CG2 3.77Å; F131-V135 HydrophobicContact CE2-CG2 4.17Å; F131-V135 HydrophobicContact CZ-CG2 3.78Å; F131-V135 WeakPolarHBondContact O-CG2 3.29Å; F131-V135 PolarHBondContact O-N 3.48Å
132	A	95.1	Very high	90.6	Very high	51 Å²	51	84.7 Å²	84.7	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-60.8	-42.3	178.2	0	0	0	0	0	112	C128 L129 T136	C128-A132 VanDerWaalsContact O-CB 3.25Å; C128-A132 WeakPolarHBondContact O-CB 3.44Å; C128-A132 PolarHBondContact O-N 2.86Å; L129-A132 PolarHBondContact O-N 3.41Å; A132-T136 WeakPolarHBondContact O-CB 3.34Å; A132-T136 PolarHBondContact O-N 2.86Å; A132-T136 PolarHBondContact O-OG1 2.89Å
133	T	95.1	Very high	90.4	Very high	80 Å²	80	87.4 Å²	87.4	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-65.8	-39.6	174.5	52.9	0	0	0	0	112.1	L129 T130 F131 T136 V137	L129-T133 WeakPolarHBondContact O-CB 3.49Å; L129-T133 WeakPolarHBondContact O-CG2 3.29Å; L129-T133 PolarHBondContact O-N 3.16Å; L129-T133 PolarHBondContact O-OG1 2.86Å; T130-T133 WeakPolarHBondContact CA-OG1 3.23Å; T130-T133 PolarHBondContact O-N 2.69Å; T130-T133 PolarHBondContact O-OG1 2.95Å; F131-T133 VanDerWaalsContact C-N 3.34Å; F131-T133 PolarHBondContact O-N 2.96Å; T133-T136 VanDerWaalsContact CA-OG1 3.29Å; T133-T136 WeakPolarHBondContact CA-OG1 3.36Å; T133-T136 PolarHBondContact O-N 2.92Å; T133-T136 PolarHBondContact O-OG1 3.35Å; T133-T136 VanDerWaalsContact O-OG1 3.06Å; T133-V137 WeakPolarHBondContact O-CB 3.28Å; T133-V137 VanDerWaalsContact O-CG2 3.23Å; T133-V137 WeakPolarHBondContact O-CG2 3.24Å; T133-V137 PolarHBondContact O-N 3.38Å
134	G	95.8	Very high	90	Very high	42 Å²	42	91.7 Å²	91.7	43%	0.433	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-45.2	177.3	0	0	0	0	0	112	T130 F131 A138	T130-G134 PolarHBondContact O-N 2.83Å; F131-G134 PolarHBondContact O-N 3.06Å; F131-G134 VanDerWaalsContact O-N 3.16Å; G134-A138 VanDerWaalsContact O-CB 3.28Å; G134-A138 WeakPolarHBondContact O-CB 3.36Å; G134-A138 PolarHBondContact O-N 3.39Å
135	V	94.4	Very high	89.5	Confident	60 Å²	60	94.3 Å²	94.3	36%	0.364	52%	0.521	S	S	.	.	H	α-helix	trans	-65.9	-43.7	177.7	173.8	0	0	0	0	111.3	F131 A138 L139	F131-V135 HydrophobicContact CD1-CG2 4.15Å; F131-V135 HydrophobicContact CE1-CG2 3.77Å; F131-V135 HydrophobicContact CE2-CG2 4.17Å; F131-V135 HydrophobicContact CZ-CG2 3.78Å; F131-V135 WeakPolarHBondContact O-CG2 3.29Å; F131-V135 PolarHBondContact O-N 3.48Å; V135-A138 PolarHBondContact O-N 2.86Å; V135-L139 HydrophobicContact CG1-CD1 3.92Å; V135-L139 HydrophobicContact CG1-CG 4.37Å; V135-L139 WeakPolarHBondContact O-CB 3.48Å; V135-L139 VanDerWaalsContact O-CG 3.31Å; V135-L139 WeakPolarHBondContact O-CG 3.33Å; V135-L139 PolarHBondContact O-N 2.91Å
136	T	93.9	Very high	88.2	Confident	75 Å²	75	91.7 Å²	91.7	46%	0.46	52%	0.515	S	S	.	.	H	α-helix	trans	-65.3	-42.6	178.3	39.4	0	0	0	0	112.2	A132 T133 L139 I140	A132-T136 WeakPolarHBondContact O-CB 3.34Å; A132-T136 PolarHBondContact O-N 2.86Å; A132-T136 PolarHBondContact O-OG1 2.89Å; T133-T136 VanDerWaalsContact CA-OG1 3.29Å; T133-T136 WeakPolarHBondContact CA-OG1 3.36Å; T133-T136 PolarHBondContact O-N 2.92Å; T133-T136 PolarHBondContact O-OG1 3.35Å; T133-T136 VanDerWaalsContact O-OG1 3.06Å; T136-L139 PolarHBondContact O-N 2.89Å; T136-I140 WeakPolarHBondContact O-CB 3.39Å; T136-I140 VanDerWaalsContact O-CG1 3.24Å; T136-I140 WeakPolarHBondContact O-CG1 3.35Å; T136-I140 PolarHBondContact O-N 3.33Å
137	V	93.9	Very high	86.5	Confident	83 Å²	83	95.1 Å²	95.1	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-64.1	-42	174.9	172.1	0	0	0	0	111.1	T133 I140 M141	T133-V137 WeakPolarHBondContact O-CB 3.28Å; T133-V137 VanDerWaalsContact O-CG2 3.23Å; T133-V137 WeakPolarHBondContact O-CG2 3.24Å; T133-V137 PolarHBondContact O-N 3.38Å; V137-I140 PolarHBondContact O-N 2.88Å; V137-M141 HydrophobicContact CG1-CG 4.34Å; V137-M141 WeakPolarHBondContact O-CB 3.45Å; V137-M141 VanDerWaalsContact O-CG 3.29Å; V137-M141 WeakPolarHBondContact O-CG 3.39Å; V137-M141 PolarHBondContact O-N 3.39Å
138	A	89.1	Confident	84.6	Confident	54 Å²	54	97.1 Å²	97.1	45%	0.446	54%	0.54	S	S	.	.	H	α-helix	trans	-62	-43.8	176.3	0	0	0	0	0	111.9	G134 V135 M141 Q142	G134-A138 VanDerWaalsContact O-CB 3.28Å; G134-A138 WeakPolarHBondContact O-CB 3.36Å; G134-A138 PolarHBondContact O-N 3.39Å; V135-A138 PolarHBondContact O-N 2.86Å; A138-M141 PolarHBondContact O-N 3.47Å; A138-Q142 VanDerWaalsContact O-CB 3.31Å; A138-Q142 WeakPolarHBondContact O-CB 3.47Å; A138-Q142 PolarHBondContact O-N 3.26Å
139	L	87.9	Confident	82.5	Confident	90 Å²	90	101.3 Å²	101.3	47%	0.471	55%	0.552	S	S	.	*	H	α-helix	trans	-64.1	-43.9	175.9	-74.4	170.9	0	0	0	112	V135 T136 M141 Q142 I143	V135-L139 HydrophobicContact CG1-CD1 3.92Å; V135-L139 HydrophobicContact CG1-CG 4.37Å; V135-L139 WeakPolarHBondContact O-CB 3.48Å; V135-L139 VanDerWaalsContact O-CG 3.31Å; V135-L139 WeakPolarHBondContact O-CG 3.33Å; V135-L139 PolarHBondContact O-N 2.91Å; T136-L139 PolarHBondContact O-N 2.89Å; L139-M141 VanDerWaalsContact C-N 3.35Å; L139-M141 PolarHBondContact O-N 3.5Å; L139-Q142 PolarHBondContact O-N 3.27Å; L139-I143 WeakPolarHBondContact O-CB 3.31Å; L139-I143 WeakPolarHBondContact O-CD1 3.43Å; L139-I143 VanDerWaalsContact O-CG1 3.23Å; L139-I143 WeakPolarHBondContact O-CG1 3.46Å; L139-I143 PolarHBondContact O-N 3.38Å
140	I	87.9	Confident	80.4	Confident	98 Å²	98	102 Å²	102	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-62.7	-44	176.6	-69.3	166.5	0	0	0	110.5	T136 V137 Q142 I143 Y144	T136-I140 WeakPolarHBondContact O-CB 3.39Å; T136-I140 VanDerWaalsContact O-CG1 3.24Å; T136-I140 WeakPolarHBondContact O-CG1 3.35Å; T136-I140 PolarHBondContact O-N 3.33Å; V137-I140 PolarHBondContact O-N 2.88Å; I140-Q142 VanDerWaalsContact C-N 3.32Å; I140-Q142 PolarHBondContact O-N 2.8Å; I140-I143 PolarHBondContact O-N 2.96Å; I140-Y144 HydrophobicContact CG2-CD2 4.17Å; I140-Y144 WeakPolarHBondContact O-CB 3.31Å; I140-Y144 PolarHBondContact O-N 2.65Å
141	M	85.1	Confident	78.4	Confident	104 Å²	104	102.4 Å²	102.4	51%	0.512	55%	0.554	S	S	.	*	H	α-helix	trans	-62.1	-40.2	175.7	-77.5	-73.1	176.6	0	0	111.6	V137 A138 L139 Y144 F145	V137-M141 HydrophobicContact CG1-CG 4.34Å; V137-M141 WeakPolarHBondContact O-CB 3.45Å; V137-M141 VanDerWaalsContact O-CG 3.29Å; V137-M141 WeakPolarHBondContact O-CG 3.39Å; V137-M141 PolarHBondContact O-N 3.39Å; A138-M141 PolarHBondContact O-N 3.47Å; L139-M141 VanDerWaalsContact C-N 3.35Å; L139-M141 PolarHBondContact O-N 3.5Å; M141-Y144 PolarHBondContact O-N 3Å; M141-F145 HydrophobicContact CE-CE2 4.32Å; M141-F145 WeakPolarHBondContact O-CA 3.23Å; M141-F145 WeakPolarHBondContact O-CB 3.49Å; M141-F145 PolarHBondContact O-N 2.95Å; M141-F145 HydrophobicContact SD-CD2 3.45Å; M141-F145 WeakPolarHBondContact SD-CD2 3.48Å; M141-F145 HydrophobicContact SD-CE2 3.39Å; M141-F145 WeakPolarHBondContact SD-CE2 3.5Å
142	Q	81.4	Confident	76.6	Confident	121 Å²	121	98.5 Å²	98.5	57%	0.565	54%	0.54	S	S	*	.	H	α-helix	trans	-70.1	-31.2	177.3	-164.7	170.9	1.9	0	0	112.5	A138 L139 I140 G146	A138-Q142 VanDerWaalsContact O-CB 3.31Å; A138-Q142 WeakPolarHBondContact O-CB 3.47Å; A138-Q142 PolarHBondContact O-N 3.26Å; L139-Q142 PolarHBondContact O-N 3.27Å; I140-Q142 VanDerWaalsContact C-N 3.32Å; I140-Q142 PolarHBondContact O-N 2.8Å; Q142-G146 WeakPolarHBondContact O-CA 3.16Å; Q142-G146 PolarHBondContact O-N 2.92Å
143	I	77.3	Confident	76	Confident	139 Å²	139	98.5 Å²	98.5	71%	0.713	53%	0.531	S	S	*	.	H	α-helix	trans	-72	-37.5	173.4	-69.6	163.9	0	0	0	111.4	L139 I140	L139-I143 WeakPolarHBondContact O-CB 3.31Å; L139-I143 WeakPolarHBondContact O-CD1 3.43Å; L139-I143 VanDerWaalsContact O-CG1 3.23Å; L139-I143 WeakPolarHBondContact O-CG1 3.46Å; L139-I143 PolarHBondContact O-N 3.38Å; I140-I143 PolarHBondContact O-N 2.96Å
144	Y	75.1	Confident	75.8	Confident	185 Å²	185	94.7 Å²	94.7	73%	0.725	51%	0.508	S	S	*	.	H	α-helix	trans	-85.4	-34.7	-177.4	-99.8	-88	0	0	0	114.3	I140 M141	I140-Y144 HydrophobicContact CG2-CD2 4.17Å; I140-Y144 WeakPolarHBondContact O-CB 3.31Å; I140-Y144 PolarHBondContact O-N 2.65Å; M141-Y144 PolarHBondContact O-N 3Å
145	F	76.9	Confident	75.8	Confident	159 Å²	159	92.7 Å²	92.7	70%	0.697	49%	0.487	S	S	*	.	H	α-helix	trans	-123.3	-8.2	-171.7	-59.8	-76.4	0	0	0	113.9	M141	M141-F145 HydrophobicContact CE-CE2 4.32Å; M141-F145 WeakPolarHBondContact O-CA 3.23Å; M141-F145 WeakPolarHBondContact O-CB 3.49Å; M141-F145 PolarHBondContact O-N 2.95Å; M141-F145 HydrophobicContact SD-CD2 3.45Å; M141-F145 WeakPolarHBondContact SD-CD2 3.48Å; M141-F145 HydrophobicContact SD-CE2 3.39Å; M141-F145 WeakPolarHBondContact SD-CE2 3.5Å
146	G	63.3	Low	76	Confident	32 Å²	32	89.8 Å²	89.8	33%	0.33	47%	0.47	S	S	.	.	S	Bend	trans	-77.2	153.6	174.1	0	0	0	0	0	111.5	Q142	Q142-G146 WeakPolarHBondContact O-CA 3.16Å; Q142-G146 PolarHBondContact O-N 2.92Å
147	D	53.5	Low	76.2	Confident	143 Å²	143	86.2 Å²	86.2	77%	0.765	45%	0.448	S	S	*	.			trans	-59.8	133.4	172	-65.6	-47.2	0	0	0	109.7	Q149	D147-Q149 PolarHBondContact O-N 3.49Å
148	P	53.2	Low	76.4	Confident	95 Å²	95	82.3 Å²	82.3	62%	0.617	42%	0.424	S	S	*	.			trans	-59.2	114.8	178.6	21.8	-30.3	0	0	0	109.8	V150	P148-V150 PolarHBondContact O-N 3.23Å
149	Q	48.2	Very low	76.8	Confident	168 Å²	168	80.1 Å²	80.1	79%	0.785	41%	0.405	S	S	*	.	S	Bend	trans	-70.2	-10.6	178.8	-64.7	-79.7	-40.7	0	0	112.7	D147	D147-Q149 PolarHBondContact O-N 3.49Å
150	V	50.6	Low	77.2	Confident	120 Å²	120	76.2 Å²	76.2	73%	0.727	39%	0.385	S	S	*	.	S	Bend	trans	-111.8	102.3	174.3	-175.9	0	0	0	0	107.5	P148	P148-V150 PolarHBondContact O-N 3.23Å
151	F	53.5	Low	77.7	Confident	101 Å²	101	73.7 Å²	73.7	44%	0.443	38%	0.378	S	S	.	.			trans	-71.4	132.2	170.9	-66.1	-82.9	0	0	0	108.9	Q153 N676	F151-Q153 PolarHBondContact O-N 2.78Å; F151-Q153 VanDerWaalsContact O-N 3.09Å; F151-N676 WeakPolarHBondContact CB-OD1 3.32Å; F151-N676 HydrophobicContact CD2-CB 4.15Å; F151-N676 HydrophobicContact CG-CB 4.46Å
152	N	58.7	Low	78.3	Confident	68 Å²	68	72.1 Å²	72.1	36%	0.364	37%	0.37	S	S	.	.			trans	-62.4	113.5	174.3	-73.2	-24	0	0	0	108.5	P495 M674	N152-P495 HydrophobicContact CB-CB 4.35Å; N152-P495 HydrophobicContact CB-CG 4.18Å; N152-M674 HydrophobicContact CB-CE 3.64Å; N152-M674 HydrophobicContact CB-SD 4.1Å; N152-M674 WeakPolarHBondContact O-CB 3.49Å; N152-M674 WeakPolarHBondContact O-CE 3.3Å; N152-M674 VanDerWaalsContact O-SD 3.4Å
153	Q	81.3	Confident	79.1	Confident	51 Å²	51	66.3 Å²	66.3	24%	0.238	34%	0.343	C	S	.	.			trans	-85.1	137.7	169.8	-70	166	-27.5	0	0	108.6	F151 G494 P495 D656 I658	F151-Q153 PolarHBondContact O-N 2.78Å; F151-Q153 VanDerWaalsContact O-N 3.09Å; Q153-G494 CarbonylContact O-C 3.51Å; Q153-P495 WeakPolarHBondContact O-CD 3.36Å; Q153-P495 VanDerWaalsContact O-N 3.16Å; Q153-D656 PolarHBondContact NE2-O 3.03Å; Q153-D656 VanDerWaalsContact NE2-O 3.16Å; Q153-D656 PolarHBondContact OE1-O 3.23Å; Q153-I658 HydrophobicContact CB-CD1 4.07Å; Q153-I658 HydrophobicContact CB-CG1 4.35Å
154	G	91.8	Very high	80.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	156.1	177.7	0	0	0	0	0	111.8	M493 T673 M674	G154-M493 CarbonylContact C-O 3.59Å; G154-M493 WeakPolarHBondContact CA-O 3.47Å; G154-T673 CarbonylContact O-C 3.5Å; G154-T673 WeakPolarHBondContact O-CA 3.14Å; G154-M674 PolarHBondContact O-N 3.47Å
155	A	96	Very high	81.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	142.5	174	0	0	0	0	0	110.6	V492 M493 T651 I658 L672	A155-V492 WeakPolarHBondContact O-CA 3.08Å; A155-M493 PolarHBondContact N-O 3.28Å; A155-M493 PolarHBondContact O-N 3.08Å; A155-T651 HydrophobicContact CB-CG2 3.95Å; A155-I658 HydrophobicContact CB-CG2 3.69Å; A155-L672 VanDerWaalsContact CA-O 3.22Å; A155-L672 WeakPolarHBondContact CA-O 3.48Å
156	V	98.1	Very high	82.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.8	173.2	-179.9	0	0	0	0	107.3	T158 T164 F168 L171 M491 V492 A671 L672	V156-T158 HydrophobicContact CG1-CG2 4.17Å; V156-T164 HydrophobicContact CB-CG2 4.23Å; V156-T164 HydrophobicContact CG1-CG2 4.1Å; V156-T164 WeakPolarHBondContact O-CG2 3.46Å; V156-F168 HydrophobicContact CG2-CB 4.49Å; V156-L171 HydrophobicContact CG2-CD1 3.61Å; V156-L171 HydrophobicContact CG2-CG 4.38Å; V156-M491 WeakPolarHBondContact CA-O 3.13Å; V156-V492 HydrophobicContact CG1-CG2 4.24Å; V156-V492 HydrophobicContact CG2-CG1 4.15Å; V156-V492 HydrophobicContact CG2-CG2 4.22Å; V156-A671 WeakPolarHBondContact O-CA 3.45Å; V156-L672 PolarHBondContact N-O 2.85Å; V156-L672 PolarHBondContact O-N 3.17Å
157	V	98.3	Very high	83.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.3	174.8	-169.9	0	0	0	0	108.8	V490 M491 E649 T651 G660 K662 S670 A671	V157-V490 WeakPolarHBondContact O-CA 3.15Å; V157-M491 HydrophobicContact CB-CB 4.32Å; V157-M491 PolarHBondContact N-O 3.35Å; V157-M491 PolarHBondContact O-N 3.01Å; V157-E649 HydrophobicContact CG1-CB 3.92Å; V157-E649 WeakPolarHBondContact CG1-OE2 3.44Å; V157-T651 HydrophobicContact CG2-CG2 3.84Å; V157-G660 VanDerWaalsContact CG2-CA 3.44Å; V157-K662 HydrophobicContact CG1-CB 4.35Å; V157-S670 WeakPolarHBondContact CA-O 3.14Å; V157-S670 WeakPolarHBondContact CG1-O 3.49Å; V157-A671 HydrophobicContact CB-CB 4.45Å; V157-A671 HydrophobicContact CG1-CB 4.15Å; V157-A671 HydrophobicContact CG2-CB 3.75Å
158	T	98.3	Very high	85.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	163.4	177.1	69.9	0	0	0	0	110.7	V156 V160 C163 T164 A184 Q489 V490 A669 S670	V156-T158 HydrophobicContact CG1-CG2 4.17Å; T158-V160 PolarHBondContact O-N 3.32Å; T158-V160 VanDerWaalsContact O-N 3.09Å; T158-V160 PolarHBondContact OG1-N 2.67Å; T158-V160 PolarHBondContact OG1-O 3.35Å; T158-C163 HydrophobicContact CG2-CB 4.46Å; T158-T164 PolarHBondContact OG1-N 3.3Å; T158-T164 VanDerWaalsContact OG1-N 3.08Å; T158-T164 PolarHBondContact OG1-OG1 3.48Å; T158-A184 HydrophobicContact CG2-CB 3.94Å; T158-Q489 WeakPolarHBondContact CA-O 3.31Å; T158-V490 HydrophobicContact CG2-CB 4.41Å; T158-V490 HydrophobicContact CG2-CG1 4.1Å; T158-V490 HydrophobicContact CG2-CG2 4.05Å; T158-A669 WeakPolarHBondContact O-CA 3.28Å; T158-A669 WeakPolarHBondContact O-CB 3.46Å; T158-S670 PolarHBondContact N-O 3.06Å; T158-S670 PolarHBondContact O-N 3.17Å; T158-S670 VanDerWaalsContact O-N 3.1Å
159	D	96.3	Very high	87.9	Confident	9 Å²	9	41 Å²	41	5%	0.048	22%	0.215	C	C	.	.	S	Bend	trans	-65.4	-11.5	177	-54.6	-54.8	0	0	0	114.7	L188 A488 Q489 D668 A669	D159-L188 HydrophobicContact CB-CD2 4.41Å; D159-A488 WeakPolarHBondContact OD2-CA 3.21Å; D159-Q489 WeakPolarHBondContact OD1-CG 3.48Å; D159-Q489 PolarHBondContact OD1-NE2 2.72Å; D159-Q489 PolarHBondContact OD2-N 3.05Å; D159-D668 CarbonylContact O-C 3.6Å; D159-A669 VanDerWaalsContact C-CA 3.48Å; D159-A669 WeakPolarHBondContact O-CA 3.49Å; D159-A669 PolarHBondContact O-N 2.93Å; D159-A669 VanDerWaalsContact O-N 3.1Å
160	V	97.5	Very high	90.2	Very high	8 Å²	8	33 Å²	33	5%	0.048	18%	0.178	C	C	.	.	S	Bend	trans	-136.6	127.2	178.2	-177.2	0	0	0	0	112.7	T158 Q162 C163 T164 L188 V191 H192 T283 D668	T158-V160 PolarHBondContact O-N 3.32Å; T158-V160 VanDerWaalsContact O-N 3.09Å; T158-V160 PolarHBondContact OG1-N 2.67Å; T158-V160 PolarHBondContact OG1-O 3.35Å; V160-Q162 VanDerWaalsContact C-N 3.29Å; V160-Q162 HydrophobicContact CG1-CB 4.48Å; V160-Q162 PolarHBondContact O-N 2.78Å; V160-Q162 VanDerWaalsContact O-N 3.13Å; V160-C163 PolarHBondContact O-N 3.45Å; V160-T164 PolarHBondContact O-N 3.41Å; V160-T164 VanDerWaalsContact O-N 3.11Å; V160-T164 PolarHBondContact O-OG1 3.49Å; V160-L188 HydrophobicContact CB-CD2 3.95Å; V160-L188 HydrophobicContact CG2-CD2 3.92Å; V160-V191 HydrophobicContact CB-CG2 3.87Å; V160-V191 HydrophobicContact CG1-CG2 3.67Å; V160-V191 HydrophobicContact CG2-CG2 4.01Å; V160-H192 HydrophobicContact CG2-CB 3.89Å; V160-H192 VanDerWaalsContact CG2-ND1 3.31Å; V160-H192 WeakPolarHBondContact CG2-ND1 3.46Å; V160-T283 HydrophobicContact CG1-CG2 3.93Å; V160-T283 HydrophobicContact CG2-CG2 4.31Å; V160-D668 WeakPolarHBondContact CA-O 3.48Å
161	A	97.1	Very high	92.3	Very high	44 Å²	44	27.4 Å²	27.4	36%	0.364	14%	0.144	S	C	.	.	H	α-helix	trans	-52.1	-37.9	-176.6	0	0	0	0	0	116.1	C163 T164 S165 D668 S670	A161-C163 VanDerWaalsContact C-N 3.32Å; A161-C163 PolarHBondContact O-N 2.85Å; A161-T164 WeakPolarHBondContact O-CB 3.17Å; A161-T164 PolarHBondContact O-N 3.07Å; A161-S165 PolarHBondContact O-N 3.45Å; A161-S165 PolarHBondContact O-OG 3.23Å; A161-D668 PolarHBondContact N-O 2.67Å; A161-D668 VanDerWaalsContact N-O 3.11Å; A161-S670 VanDerWaalsContact CA-CB 3.46Å
162	Q	97.6	Very high	94.2	Very high	71 Å²	71	24.9 Å²	24.9	33%	0.332	15%	0.146	S	C	.	.	H	α-helix	trans	-64.5	-36.9	177.9	-173.5	169.6	7.9	0	0	112.1	V160 S165 L166 G279	V160-Q162 VanDerWaalsContact C-N 3.29Å; V160-Q162 HydrophobicContact CG1-CB 4.48Å; V160-Q162 PolarHBondContact O-N 2.78Å; V160-Q162 VanDerWaalsContact O-N 3.13Å; Q162-S165 PolarHBondContact O-N 3.01Å; Q162-L166 PolarHBondContact O-N 3.24Å; Q162-G279 PolarHBondContact NE2-O 2.94Å
163	C	98.5	Very high	95.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-77.8	-30.8	178.1	-57.5	0	0	0	0	112.5	T158 V160 A161 S165 L166 G167 C187 L188 V191	T158-C163 HydrophobicContact CG2-CB 4.46Å; V160-C163 PolarHBondContact O-N 3.45Å; A161-C163 VanDerWaalsContact C-N 3.32Å; A161-C163 PolarHBondContact O-N 2.85Å; C163-S165 VanDerWaalsContact C-N 3.31Å; C163-L166 PolarHBondContact O-N 3.33Å; C163-G167 PolarHBondContact O-N 3.04Å; C163-C187 WeakPolarHBondContact CA-SG 3.44Å; C163-C187 HydrophobicContact CB-CB 3.71Å; C163-C187 WeakPolarHBondContact CB-SG 3.17Å; C163-C187 WeakPolarHBondContact SG-CB 3.39Å; C163-C187 PolarHBondContact SG-O 2.75Å; C163-C187 CovalentContact SG-SG 2.05Å; C163-C187 PolarHBondContact SG-SG 3.28Å; C163-L188 HydrophobicContact CB-CD2 4Å; C163-L188 HydrophobicContact CB-CG 4.06Å; C163-L188 PolarHBondContact SG-N 2.79Å; C163-V191 WeakPolarHBondContact SG-CG2 3.14Å
164	T	98.5	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.1	-46.7	167.6	-46.8	0	0	0	0	110.5	V156 T158 V160 A161 L166 G167 F168 S670 L672	V156-T164 HydrophobicContact CB-CG2 4.23Å; V156-T164 HydrophobicContact CG1-CG2 4.1Å; V156-T164 WeakPolarHBondContact O-CG2 3.46Å; T158-T164 PolarHBondContact OG1-N 3.3Å; T158-T164 VanDerWaalsContact OG1-N 3.08Å; T158-T164 PolarHBondContact OG1-OG1 3.48Å; V160-T164 PolarHBondContact O-N 3.41Å; V160-T164 VanDerWaalsContact O-N 3.11Å; V160-T164 PolarHBondContact O-OG1 3.49Å; A161-T164 WeakPolarHBondContact O-CB 3.17Å; A161-T164 PolarHBondContact O-N 3.07Å; T164-L166 PolarHBondContact O-N 2.94Å; T164-G167 PolarHBondContact O-N 3.48Å; T164-F168 VanDerWaalsContact O-CB 3.32Å; T164-F168 WeakPolarHBondContact O-CB 3.44Å; T164-F168 PolarHBondContact O-N 2.84Å; T164-S670 WeakPolarHBondContact OG1-CB 3.33Å; T164-S670 PolarHBondContact OG1-O 3.14Å; T164-L672 HydrophobicContact CG2-CB 3.99Å; T164-L672 HydrophobicContact CG2-CD1 4.08Å; T164-L672 HydrophobicContact CG2-CG 3.75Å
165	S	97.8	Very high	96.5	Very high	60 Å²	60	30 Å²	30	42%	0.42	17%	0.167	S	C	.	.	H	α-helix	trans	-63.2	-41	178.9	-55.8	0	0	0	0	111.9	A161 Q162 C163 F168 E169	A161-S165 PolarHBondContact O-N 3.45Å; A161-S165 PolarHBondContact O-OG 3.23Å; Q162-S165 PolarHBondContact O-N 3.01Å; C163-S165 VanDerWaalsContact C-N 3.31Å; S165-F168 WeakPolarHBondContact O-CB 3.44Å; S165-F168 PolarHBondContact O-N 3.18Å; S165-E169 PolarHBondContact O-N 3.2Å
166	L	98.4	Very high	96.6	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-47.7	176.4	-174.6	67.3	0	0	0	112.4	Q162 C163 T164 F168 E169 V170 A183 C187 M271 A272 V275	Q162-L166 PolarHBondContact O-N 3.24Å; C163-L166 PolarHBondContact O-N 3.33Å; T164-L166 PolarHBondContact O-N 2.94Å; L166-F168 PolarHBondContact O-N 3.35Å; L166-E169 WeakPolarHBondContact O-CB 3.48Å; L166-E169 PolarHBondContact O-N 2.94Å; L166-V170 VanDerWaalsContact O-CG2 3.25Å; L166-V170 WeakPolarHBondContact O-CG2 3.46Å; L166-V170 PolarHBondContact O-N 2.74Å; L166-A183 HydrophobicContact CD2-CB 4.14Å; L166-A183 WeakPolarHBondContact CD2-O 3.31Å; L166-A183 HydrophobicContact CG-CB 4.27Å; L166-C187 HydrophobicContact CD2-CB 3.64Å; L166-M271 HydrophobicContact CD1-CB 4.12Å; L166-A272 HydrophobicContact CD2-CB 4.44Å; L166-V275 HydrophobicContact CD1-CG2 4.42Å; L166-V275 HydrophobicContact CD2-CG2 3.97Å
167	G	97.9	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-38.1	176.2	0	0	0	0	0	111.6	C163 T164 V170 L171 A180	C163-G167 PolarHBondContact O-N 3.04Å; T164-G167 PolarHBondContact O-N 3.48Å; G167-V170 PolarHBondContact O-N 3.48Å; G167-L171 PolarHBondContact O-N 3.27Å; G167-L171 VanDerWaalsContact O-N 3.13Å; G167-A180 VanDerWaalsContact O-CB 3.29Å; G167-A180 WeakPolarHBondContact O-CB 3.33Å
168	F	95.7	Very high	96.6	Very high	58 Å²	58	30.1 Å²	30.1	25%	0.254	17%	0.167	S	C	.	.	H	α-helix	trans	-65.8	-40.2	175.7	-166.4	-92.1	0	0	0	112.6	V156 T164 S165 L166 V170 L171 G172 L672 M674	V156-F168 HydrophobicContact CG2-CB 4.49Å; T164-F168 VanDerWaalsContact O-CB 3.32Å; T164-F168 WeakPolarHBondContact O-CB 3.44Å; T164-F168 PolarHBondContact O-N 2.84Å; S165-F168 WeakPolarHBondContact O-CB 3.44Å; S165-F168 PolarHBondContact O-N 3.18Å; L166-F168 PolarHBondContact O-N 3.35Å; F168-V170 VanDerWaalsContact C-N 3.31Å; F168-V170 PolarHBondContact O-N 2.93Å; F168-L171 PolarHBondContact O-N 3.41Å; F168-G172 PolarHBondContact O-N 3.47Å; F168-L672 HydrophobicContact CB-CB 4.47Å; F168-L672 HydrophobicContact CB-CD1 3.94Å; F168-L672 HydrophobicContact CD2-CB 3.57Å; F168-L672 HydrophobicContact CD2-CD1 4.34Å; F168-L672 HydrophobicContact CE2-CB 3.9Å; F168-L672 HydrophobicContact CG-CB 4.13Å; F168-L672 HydrophobicContact CG-CD1 4.04Å; F168-M674 HydrophobicContact CD2-CG 4.14Å; F168-M674 HydrophobicContact CE1-CG 4.24Å; F168-M674 HydrophobicContact CE2-CB 4.18Å; F168-M674 HydrophobicContact CE2-CG 3.22Å; F168-M674 HydrophobicContact CE2-SD 4.5Å; F168-M674 HydrophobicContact CZ-CB 4.17Å; F168-M674 HydrophobicContact CZ-CG 3.3Å
169	E	95.9	Very high	96.6	Very high	92 Å²	92	30.1 Å²	30.1	43%	0.43	17%	0.167	S	C	.	.	H	α-helix	trans	-61	-40.9	173.6	-174.3	-176	159.4	0	0	111.6	S165 L166 L171 G172 K173	S165-E169 PolarHBondContact O-N 3.2Å; L166-E169 WeakPolarHBondContact O-CB 3.48Å; L166-E169 PolarHBondContact O-N 2.94Å; E169-L171 PolarHBondContact O-N 2.87Å; E169-G172 CarbonylContact O-C 3.47Å; E169-G172 WeakPolarHBondContact O-CA 3.42Å; E169-G172 PolarHBondContact O-N 3.48Å; E169-G172 VanDerWaalsContact O-N 3.1Å; E169-K173 PolarHBondContact O-N 2.81Å; E169-K173 WeakPolarHBondContact OE1-CE 3.48Å; E169-K173 IonicContact OE1-NZ 2.65Å; E169-K173 PolarHBondContact OE1-NZ 3.05Å
170	V	97.3	Very high	96.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-42.8	177.1	175.6	0	0	0	0	111.2	L166 G167 F168 G172 K173 G175 D179 A180 A183 I263 M271	L166-V170 VanDerWaalsContact O-CG2 3.25Å; L166-V170 WeakPolarHBondContact O-CG2 3.46Å; L166-V170 PolarHBondContact O-N 2.74Å; G167-V170 PolarHBondContact O-N 3.48Å; F168-V170 VanDerWaalsContact C-N 3.31Å; F168-V170 PolarHBondContact O-N 2.93Å; V170-G172 VanDerWaalsContact C-N 3.31Å; V170-G172 PolarHBondContact O-N 3.29Å; V170-K173 PolarHBondContact O-N 3.28Å; V170-G175 WeakPolarHBondContact O-CA 3.36Å; V170-G175 PolarHBondContact O-N 3.12Å; V170-D179 HydrophobicContact CG1-CB 3.7Å; V170-A180 HydrophobicContact CB-CB 4.14Å; V170-A180 HydrophobicContact CG1-CB 4.1Å; V170-A183 HydrophobicContact CG2-CB 3.6Å; V170-I263 HydrophobicContact CG1-CD1 4.14Å; V170-M271 HydrophobicContact CB-CE 4.49Å; V170-M271 HydrophobicContact CG1-CE 4.48Å; V170-M271 HydrophobicContact CG2-CE 3.61Å; V170-M271 HydrophobicContact CG2-SD 4.01Å
171	L	94.7	Very high	96.8	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-60.4	-42	171.7	-67.8	-179	0	0	0	111.4	V156 G167 F168 E169 K173 Q174 A180 V492 M674	V156-L171 HydrophobicContact CG2-CD1 3.61Å; V156-L171 HydrophobicContact CG2-CG 4.38Å; G167-L171 PolarHBondContact O-N 3.27Å; G167-L171 VanDerWaalsContact O-N 3.13Å; F168-L171 PolarHBondContact O-N 3.41Å; E169-L171 PolarHBondContact O-N 2.87Å; L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 2.9Å; L171-Q174 PolarHBondContact O-N 3.29Å; L171-A180 HydrophobicContact CD2-CB 3.75Å; L171-A180 HydrophobicContact CG-CB 3.76Å; L171-V492 HydrophobicContact CD1-CG1 4.22Å; L171-V492 HydrophobicContact CD2-CG1 4.41Å; L171-M674 HydrophobicContact CB-SD 4.39Å
172	G	91.9	Very high	96.9	Very high	47 Å²	47	27.2 Å²	27.2	49%	0.485	15%	0.145	S	C	.	.	H	α-helix	trans	-61.3	-32.6	176.1	0	0	0	0	0	113.7	F168 E169 V170 Q174	F168-G172 PolarHBondContact O-N 3.47Å; E169-G172 CarbonylContact O-C 3.47Å; E169-G172 WeakPolarHBondContact O-CA 3.42Å; E169-G172 PolarHBondContact O-N 3.48Å; E169-G172 VanDerWaalsContact O-N 3.1Å; V170-G172 VanDerWaalsContact C-N 3.31Å; V170-G172 PolarHBondContact O-N 3.29Å; G172-Q174 PolarHBondContact O-N 3.43Å
173	K	92.6	Very high	96.9	Very high	106 Å²	106	23.9 Å²	23.9	46%	0.461	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	16.1	172.9	-68.8	180	-175.4	166.6	0	113.7	E169 V170 L171 G175 M271	E169-K173 PolarHBondContact O-N 2.81Å; E169-K173 WeakPolarHBondContact OE1-CE 3.48Å; E169-K173 IonicContact OE1-NZ 2.65Å; E169-K173 PolarHBondContact OE1-NZ 3.05Å; V170-K173 PolarHBondContact O-N 3.28Å; L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 2.9Å; K173-G175 PolarHBondContact O-N 2.97Å; K173-M271 HydrophobicContact CD-SD 3.86Å; K173-M271 PolarHBondContact NZ-SD 3.26Å; K173-M271 VanDerWaalsContact NZ-SD 3.35Å
174	Q	92.2	Very high	96.9	Very high	119 Å²	119	23.9 Å²	23.9	56%	0.556	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	24.8	-177.8	-48.6	-177.7	5.1	0	0	114.2	L171 G172 R262	L171-Q174 PolarHBondContact O-N 3.29Å; G172-Q174 PolarHBondContact O-N 3.43Å; Q174-R262 WeakPolarHBondContact O-CD 3.37Å; Q174-R262 PolarHBondContact O-NE 2.91Å
175	G	96	Very high	97	Very high	3 Å²	3	23.9 Å²	23.9	3%	0.031	13%	0.13	C	C	.	.			trans	-64	160.4	165.1	0	0	0	0	0	111.7	V170 K173	V170-G175 WeakPolarHBondContact O-CA 3.36Å; V170-G175 PolarHBondContact O-N 3.12Å; K173-G175 PolarHBondContact O-N 2.97Å
176	S	97.4	Very high	97	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.014	11%	0.111	C	C	.	.			trans	-73.6	166.5	171.9	70.8	0	0	0	0	111.5	V178 D179 A180 Y260 D496	S176-V178 PolarHBondContact O-N 3.35Å; S176-V178 PolarHBondContact OG-N 3.34Å; S176-D179 PolarHBondContact N-OD2 3.17Å; S176-D179 PolarHBondContact O-N 2.88Å; S176-D179 VanDerWaalsContact O-N 3.16Å; S176-D179 VanDerWaalsContact OG-CG 3.32Å; S176-D179 PolarHBondContact OG-N 3.38Å; S176-D179 PolarHBondContact OG-OD2 2.97Å; S176-A180 PolarHBondContact O-N 2.97Å; S176-Y260 WeakPolarHBondContact CB-O 3.37Å; S176-Y260 PolarHBondContact OG-O 3.46Å; S176-D496 WeakPolarHBondContact CA-OD2 3.37Å; S176-D496 VanDerWaalsContact CB-OD2 3.3Å; S176-D496 WeakPolarHBondContact CB-OD2 3.11Å
177	S	98	Very high	97	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.1	-31.2	169.8	-65.5	0	0	0	0	112	A181 G494 D496 H498	S177-A181 WeakPolarHBondContact O-CB 3.14Å; S177-A181 PolarHBondContact O-N 3.26Å; S177-G494 WeakPolarHBondContact OG-CA 3.45Å; S177-G494 PolarHBondContact OG-N 3.1Å; S177-D496 WeakPolarHBondContact CB-OD1 3.49Å; S177-D496 PolarHBondContact N-OD2 3.3Å; S177-D496 PolarHBondContact OG-OD1 3.28Å; S177-H498 PolarHBondContact OG-O 3.36Å
178	V	98.7	Very high	97	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-75.2	-40.5	177.4	176.4	0	0	0	0	111.2	S176 A180 A181 I182 M204 V206 A256 Y260 V500	S176-V178 PolarHBondContact O-N 3.35Å; S176-V178 PolarHBondContact OG-N 3.34Å; V178-A180 VanDerWaalsContact C-N 3.3Å; V178-A180 PolarHBondContact O-N 3.47Å; V178-A181 PolarHBondContact O-N 3.46Å; V178-I182 HydrophobicContact CG1-CD1 3.82Å; V178-I182 HydrophobicContact CG1-CG1 4.34Å; V178-I182 WeakPolarHBondContact O-CD1 3.39Å; V178-I182 VanDerWaalsContact O-CG1 3.22Å; V178-I182 WeakPolarHBondContact O-CG1 3.34Å; V178-I182 PolarHBondContact O-N 3.13Å; V178-M204 HydrophobicContact CG1-SD 4.28Å; V178-V206 HydrophobicContact CG2-CG1 4.04Å; V178-V206 HydrophobicContact CG2-CG2 3.95Å; V178-A256 HydrophobicContact CG1-CB 3.79Å; V178-Y260 HydrophobicContact CG2-CD2 4Å; V178-Y260 HydrophobicContact CG2-CG 3.98Å; V178-V500 HydrophobicContact CG2-CG2 3.71Å
179	D	98.8	Very high	97.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.7	-45.5	172.4	-65.6	-34.6	0	0	0	111	V170 S176 I182 A183 H257 G261 R262 I263 V268	V170-D179 HydrophobicContact CG1-CB 3.7Å; S176-D179 PolarHBondContact N-OD2 3.17Å; S176-D179 PolarHBondContact O-N 2.88Å; S176-D179 VanDerWaalsContact O-N 3.16Å; S176-D179 VanDerWaalsContact OG-CG 3.32Å; S176-D179 PolarHBondContact OG-N 3.38Å; S176-D179 PolarHBondContact OG-OD2 2.97Å; D179-I182 PolarHBondContact O-N 3.39Å; D179-A183 PolarHBondContact O-N 3.34Å; D179-H257 IonicContact OD1-CD2 3.75Å; D179-H257 PolarHBondContact OD1-CD2 3.09Å; D179-H257 IonicContact OD1-NE2 2.85Å; D179-H257 PolarHBondContact OD1-NE2 2.87Å; D179-G261 WeakPolarHBondContact OD1-CA 3.45Å; D179-R262 PolarHBondContact OD1-N 2.81Å; D179-R262 WeakPolarHBondContact OD2-CA 3.4Å; D179-R262 WeakPolarHBondContact OD2-CB 3.42Å; D179-R262 PolarHBondContact OD2-N 2.98Å; D179-I263 HydrophobicContact CB-CG1 4.18Å; D179-I263 WeakPolarHBondContact OD2-CG1 3.28Å; D179-I263 PolarHBondContact OD2-N 2.77Å; D179-V268 HydrophobicContact CB-CG2 4.06Å
180	A	98.6	Very high	97.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.8	-42.4	177.5	0	0	0	0	0	112	G167 V170 L171 S176 V178 A184 V492	G167-A180 VanDerWaalsContact O-CB 3.29Å; G167-A180 WeakPolarHBondContact O-CB 3.33Å; V170-A180 HydrophobicContact CB-CB 4.14Å; V170-A180 HydrophobicContact CG1-CB 4.1Å; L171-A180 HydrophobicContact CD2-CB 3.75Å; L171-A180 HydrophobicContact CG-CB 3.76Å; S176-A180 PolarHBondContact O-N 2.97Å; V178-A180 VanDerWaalsContact C-N 3.3Å; V178-A180 PolarHBondContact O-N 3.47Å; A180-A184 VanDerWaalsContact O-CB 3.24Å; A180-A184 WeakPolarHBondContact O-CB 3.38Å; A180-A184 PolarHBondContact O-N 3.1Å; A180-V492 HydrophobicContact CB-CG1 4.19Å
181	A	98.8	Very high	97.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.4	-39.9	176.2	0	0	0	0	0	112.4	S177 V178 A185 V490 V492 V500 V502	S177-A181 WeakPolarHBondContact O-CB 3.14Å; S177-A181 PolarHBondContact O-N 3.26Å; V178-A181 PolarHBondContact O-N 3.46Å; A181-A185 VanDerWaalsContact O-CB 3.26Å; A181-A185 WeakPolarHBondContact O-CB 3.35Å; A181-A185 PolarHBondContact O-N 3.36Å; A181-V490 HydrophobicContact CB-CG1 4.14Å; A181-V492 HydrophobicContact CB-CG2 3.98Å; A181-V500 HydrophobicContact CB-CB 4.37Å; A181-V500 HydrophobicContact CB-CG1 3.6Å; A181-V502 HydrophobicContact CB-CG2 4.02Å
182	I	98.9	Very high	97.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.7	-51.6	176.9	-68.9	161.3	0	0	0	110.7	V178 D179 A184 A185 L186 M204 M253 A256 H257 W265 V268	V178-I182 HydrophobicContact CG1-CD1 3.82Å; V178-I182 HydrophobicContact CG1-CG1 4.34Å; V178-I182 WeakPolarHBondContact O-CD1 3.39Å; V178-I182 VanDerWaalsContact O-CG1 3.22Å; V178-I182 WeakPolarHBondContact O-CG1 3.34Å; V178-I182 PolarHBondContact O-N 3.13Å; D179-I182 PolarHBondContact O-N 3.39Å; I182-A184 VanDerWaalsContact C-N 3.32Å; I182-A184 PolarHBondContact O-N 2.91Å; I182-A185 PolarHBondContact O-N 3.23Å; I182-L186 HydrophobicContact CG2-CD1 4.02Å; I182-L186 HydrophobicContact CG2-CG 4.42Å; I182-L186 WeakPolarHBondContact O-CG 3.25Å; I182-L186 PolarHBondContact O-N 3.32Å; I182-M204 HydrophobicContact CG1-CE 4.34Å; I182-M253 HydrophobicContact CB-SD 4.1Å; I182-M253 VanDerWaalsContact CD1-O 3.29Å; I182-M253 WeakPolarHBondContact CD1-O 3.48Å; I182-M253 HydrophobicContact CG1-CB 4.19Å; I182-M253 HydrophobicContact CG1-CG 4.5Å; I182-M253 HydrophobicContact CG1-SD 3.72Å; I182-M253 HydrophobicContact CG2-CB 3.91Å; I182-M253 HydrophobicContact CG2-CG 4.21Å; I182-M253 HydrophobicContact CG2-SD 4.15Å; I182-A256 HydrophobicContact CD1-CB 4.33Å; I182-H257 HydrophobicContact CD1-CB 3.78Å; I182-W265 HydrophobicContact CG2-CZ3 4.25Å; I182-V268 HydrophobicContact CB-CG1 4.06Å; I182-V268 HydrophobicContact CG2-CG1 3.71Å
183	A	98.8	Very high	97.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.1	-45.2	179.5	0	0	0	0	0	111.5	L166 V170 D179 L186 C187 V268	L166-A183 HydrophobicContact CD2-CB 4.14Å; L166-A183 WeakPolarHBondContact CD2-O 3.31Å; L166-A183 HydrophobicContact CG-CB 4.27Å; V170-A183 HydrophobicContact CG2-CB 3.6Å; D179-A183 PolarHBondContact O-N 3.34Å; A183-L186 PolarHBondContact O-N 3.03Å; A183-C187 WeakPolarHBondContact O-CB 3.37Å; A183-C187 PolarHBondContact O-N 2.84Å; A183-V268 HydrophobicContact CB-CG1 4.08Å
184	A	98.8	Very high	97.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-62.2	-43.6	176.7	0	0	0	0	0	112.5	T158 A180 I182 C187 L188 V490	T158-A184 HydrophobicContact CG2-CB 3.94Å; A180-A184 VanDerWaalsContact O-CB 3.24Å; A180-A184 WeakPolarHBondContact O-CB 3.38Å; A180-A184 PolarHBondContact O-N 3.1Å; I182-A184 VanDerWaalsContact C-N 3.32Å; I182-A184 PolarHBondContact O-N 2.91Å; A184-C187 WeakPolarHBondContact O-CB 3.44Å; A184-C187 PolarHBondContact O-N 2.72Å; A184-L188 WeakPolarHBondContact O-CG 3.44Å; A184-L188 PolarHBondContact O-N 2.69Å; A184-V490 HydrophobicContact CB-CG1 3.79Å; A184-V490 HydrophobicContact CB-CG2 4.14Å
185	A	98.8	Very high	97.9	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.008	2%	0.016	C	C	.	.	H	α-helix	trans	-68.3	-38.4	-179.9	0	0	0	0	0	112.4	A181 I182 L188 G189 M249 M253 V490	A181-A185 VanDerWaalsContact O-CB 3.26Å; A181-A185 WeakPolarHBondContact O-CB 3.35Å; A181-A185 PolarHBondContact O-N 3.36Å; I182-A185 PolarHBondContact O-N 3.23Å; A185-L188 PolarHBondContact O-N 3.25Å; A185-G189 PolarHBondContact O-N 3.46Å; A185-M249 HydrophobicContact CB-CE 3.62Å; A185-M253 HydrophobicContact CB-CE 4.39Å; A185-M253 HydrophobicContact CB-SD 4.21Å; A185-V490 HydrophobicContact CB-CG2 4.09Å
186	L	98.8	Very high	97.9	Very high	4 Å²	4	2.5 Å²	2.5	2%	0.021	2%	0.015	C	C	.	.	H	α-helix	trans	-66.1	-38.4	172.2	-66.6	178.1	0	0	0	111.8	I182 A183 G189 I190 I198 M249 L250 M253 V269 A272	I182-L186 HydrophobicContact CG2-CD1 4.02Å; I182-L186 HydrophobicContact CG2-CG 4.42Å; I182-L186 WeakPolarHBondContact O-CG 3.25Å; I182-L186 PolarHBondContact O-N 3.32Å; A183-L186 PolarHBondContact O-N 3.03Å; L186-G189 PolarHBondContact O-N 3.49Å; L186-I190 PolarHBondContact O-N 3.11Å; L186-I198 HydrophobicContact CD2-CG2 4.05Å; L186-M249 HydrophobicContact CD2-CE 4.22Å; L186-L250 HydrophobicContact CD2-CD2 3.89Å; L186-M253 HydrophobicContact CD2-CG 4.47Å; L186-V269 HydrophobicContact CD1-CG2 4.15Å; L186-A272 HydrophobicContact CB-CB 3.66Å; L186-A272 HydrophobicContact CD1-CB 4.31Å
187	C	98.8	Very high	97.9	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-60.3	-43.1	172.1	171.9	0	0	0	0	112.4	C163 L166 A183 A184 G189 I190 V191	C163-C187 WeakPolarHBondContact CA-SG 3.44Å; C163-C187 HydrophobicContact CB-CB 3.71Å; C163-C187 WeakPolarHBondContact CB-SG 3.17Å; C163-C187 WeakPolarHBondContact SG-CB 3.39Å; C163-C187 PolarHBondContact SG-O 2.75Å; C163-C187 CovalentContact SG-SG 2.05Å; C163-C187 PolarHBondContact SG-SG 3.28Å; L166-C187 HydrophobicContact CD2-CB 3.64Å; A183-C187 WeakPolarHBondContact O-CB 3.37Å; A183-C187 PolarHBondContact O-N 2.84Å; A184-C187 WeakPolarHBondContact O-CB 3.44Å; A184-C187 PolarHBondContact O-N 2.72Å; C187-G189 PolarHBondContact O-N 2.9Å; C187-I190 WeakPolarHBondContact O-CA 3.43Å; C187-I190 WeakPolarHBondContact O-CB 3.46Å; C187-I190 PolarHBondContact O-N 3.13Å; C187-V191 PolarHBondContact O-N 2.85Å
188	L	98.5	Very high	97.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-60.6	-35.2	176.4	-71.2	171.3	0	0	0	111.3	D159 V160 C163 A184 A185 I190 H192 A488 V490	D159-L188 HydrophobicContact CB-CD2 4.41Å; V160-L188 HydrophobicContact CB-CD2 3.95Å; V160-L188 HydrophobicContact CG2-CD2 3.92Å; C163-L188 HydrophobicContact CB-CD2 4Å; C163-L188 HydrophobicContact CB-CG 4.06Å; C163-L188 PolarHBondContact SG-N 2.79Å; A184-L188 WeakPolarHBondContact O-CG 3.44Å; A184-L188 PolarHBondContact O-N 2.69Å; A185-L188 PolarHBondContact O-N 3.25Å; L188-I190 PolarHBondContact O-N 2.61Å; L188-H192 HydrophobicContact CD2-CB 4.26Å; L188-H192 CarbonylContact O-C 3.59Å; L188-H192 VanDerWaalsContact O-C 3.23Å; L188-H192 VanDerWaalsContact O-CA 3.24Å; L188-H192 WeakPolarHBondContact O-CA 3.17Å; L188-H192 WeakPolarHBondContact O-CB 3.36Å; L188-H192 PolarHBondContact O-N 3.22Å; L188-A488 HydrophobicContact CB-CB 4.33Å; L188-A488 HydrophobicContact CD1-CB 4Å; L188-V490 HydrophobicContact CD1-CG2 3.46Å; L188-V490 VanDerWaalsContact CD1-CG2 3.46Å
189	G	97.8	Very high	97.9	Very high	7 Å²	7	3.2 Å²	3.2	7%	0.072	2%	0.021	C	C	.	.	H	α-helix	trans	-62	-21.1	171.6	0	0	0	0	0	115.2	A185 L186 C187	A185-G189 PolarHBondContact O-N 3.46Å; L186-G189 PolarHBondContact O-N 3.49Å; C187-G189 PolarHBondContact O-N 2.9Å
190	I	98.3	Very high	97.8	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-90.7	-52.4	177.5	-63.5	157.9	0	0	0	110.7	L186 C187 L188 A272 V275 A276 F280 R321 L324 L328	L186-I190 PolarHBondContact O-N 3.11Å; C187-I190 WeakPolarHBondContact O-CA 3.43Å; C187-I190 WeakPolarHBondContact O-CB 3.46Å; C187-I190 PolarHBondContact O-N 3.13Å; L188-I190 PolarHBondContact O-N 2.61Å; I190-A272 WeakPolarHBondContact CD1-O 3.46Å; I190-V275 HydrophobicContact CD1-CB 4.29Å; I190-V275 HydrophobicContact CG2-CG1 4.24Å; I190-A276 HydrophobicContact CD1-CB 3.77Å; I190-A276 HydrophobicContact CG1-CB 4.02Å; I190-A276 HydrophobicContact CG2-CB 3.86Å; I190-F280 HydrophobicContact CG2-CD1 4.04Å; I190-F280 HydrophobicContact CG2-CE1 3.77Å; I190-F280 VanDerWaalsContact O-CZ 3.27Å; I190-F280 WeakPolarHBondContact O-CZ 3.23Å; I190-R321 HydrophobicContact CG2-CB 4.35Å; I190-R321 HydrophobicContact CG2-CG 4.39Å; I190-L324 HydrophobicContact CG1-CD2 3.56Å; I190-L328 HydrophobicContact CD1-CD1 3.83Å; I190-L328 HydrophobicContact CG1-CD1 4.41Å
191	V	97.9	Very high	97.8	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-92.7	-21.6	-168.7	-50.4	0	0	0	0	113.6	V160 C163 C187 P193 V275 F280	V160-V191 HydrophobicContact CB-CG2 3.87Å; V160-V191 HydrophobicContact CG1-CG2 3.67Å; V160-V191 HydrophobicContact CG2-CG2 4.01Å; C163-V191 WeakPolarHBondContact SG-CG2 3.14Å; C187-V191 PolarHBondContact O-N 2.85Å; V191-P193 WeakPolarHBondContact O-CD 3.25Å; V191-V275 HydrophobicContact CG1-CG1 3.77Å; V191-F280 HydrophobicContact CB-CD2 3.88Å; V191-F280 HydrophobicContact CB-CE2 4.11Å; V191-F280 HydrophobicContact CB-CG 4.14Å; V191-F280 HydrophobicContact CG1-CB 3.89Å; V191-F280 HydrophobicContact CG1-CD1 3.92Å; V191-F280 HydrophobicContact CG1-CD2 3.95Å; V191-F280 HydrophobicContact CG1-CE1 4.41Å; V191-F280 HydrophobicContact CG1-CE2 4.45Å; V191-F280 HydrophobicContact CG1-CG 3.67Å
192	H	96.6	Very high	97.8	Very high	9 Å²	9	3.2 Å²	3.2	4%	0.042	2%	0.021	C	C	.	.			trans	-124.9	49.7	-179.8	-151.9	100.4	0	0	0	111.3	V160 L188 H194 T195	V160-H192 HydrophobicContact CG2-CB 3.89Å; V160-H192 VanDerWaalsContact CG2-ND1 3.31Å; V160-H192 WeakPolarHBondContact CG2-ND1 3.46Å; L188-H192 HydrophobicContact CD2-CB 4.26Å; L188-H192 CarbonylContact O-C 3.59Å; L188-H192 VanDerWaalsContact O-C 3.23Å; L188-H192 VanDerWaalsContact O-CA 3.24Å; L188-H192 WeakPolarHBondContact O-CA 3.17Å; L188-H192 WeakPolarHBondContact O-CB 3.36Å; L188-H192 PolarHBondContact O-N 3.22Å; H192-H194 AromaticContact CD2-CE1 3.35Å; H192-H194 PolarHBondContact CD2-CE1 3.08Å; H192-H194 AromaticContact CD2-ND1 3.77Å; H192-H194 AromaticContact CD2-NE2 3.81Å; H192-H194 AromaticContact CE1-CE1 3.32Å; H192-H194 PolarHBondContact CE1-CE1 3.12Å; H192-H194 AromaticContact CE1-NE2 3.73Å; H192-H194 AromaticContact CG-CE1 3.77Å; H192-H194 AromaticContact ND1-CE1 3.72Å; H192-H194 AromaticContact NE2-CE1 3.08Å; H192-H194 PolarHBondContact NE2-CE1 3.42Å; H192-H194 AromaticContact NE2-ND1 3.93Å; H192-H194 AromaticContact NE2-NE2 3.22Å; H192-H194 PolarHBondContact NE2-NE2 2.9Å; H192-H194 PolarHBondContact O-N 3.32Å; H192-T195 PolarHBondContact CD2-OG1 3.44Å; H192-T195 WeakPolarHBondContact NE2-CG2 3.4Å; H192-T195 PolarHBondContact O-N 3.37Å
193	P	96.4	Very high	97.7	Very high	3 Å²	3	3.2 Å²	3.2	2%	0.019	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.8	-168.4	30.8	-38.7	0	0	0	114.3	V191 T195 L286 F306 L506 L521	V191-P193 WeakPolarHBondContact O-CD 3.25Å; P193-T195 VanDerWaalsContact C-N 3.34Å; P193-L286 HydrophobicContact CG-CD1 3.82Å; P193-L286 HydrophobicContact CG-CD2 4.39Å; P193-F306 HydrophobicContact CB-CE1 4.26Å; P193-F306 HydrophobicContact CB-CZ 4.19Å; P193-F306 HydrophobicContact CG-CE1 3.7Å; P193-F306 HydrophobicContact CG-CZ 4.14Å; P193-L506 WeakPolarHBondContact O-CD1 3.48Å; P193-L521 VanDerWaalsContact O-CD2 3.25Å; P193-L521 WeakPolarHBondContact O-CD2 3.43Å
194	H	95.7	Very high	97.7	Very high	17 Å²	17	3.2 Å²	3.2	8%	0.079	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-17.7	177.2	66.4	-82.5	0	0	0	112.3	H192 L286 A289 P509 F510	H192-H194 AromaticContact CD2-CE1 3.35Å; H192-H194 PolarHBondContact CD2-CE1 3.08Å; H192-H194 AromaticContact CD2-ND1 3.77Å; H192-H194 AromaticContact CD2-NE2 3.81Å; H192-H194 AromaticContact CE1-CE1 3.32Å; H192-H194 PolarHBondContact CE1-CE1 3.12Å; H192-H194 AromaticContact CE1-NE2 3.73Å; H192-H194 AromaticContact CG-CE1 3.77Å; H192-H194 AromaticContact ND1-CE1 3.72Å; H192-H194 AromaticContact NE2-CE1 3.08Å; H192-H194 PolarHBondContact NE2-CE1 3.42Å; H192-H194 AromaticContact NE2-ND1 3.93Å; H192-H194 AromaticContact NE2-NE2 3.22Å; H192-H194 PolarHBondContact NE2-NE2 2.9Å; H192-H194 PolarHBondContact O-N 3.32Å; H194-L286 HydrophobicContact CB-CD1 4.49Å; H194-A289 HydrophobicContact CB-CB 3.72Å; H194-P509 CarbonylContact O-C 3.44Å; H194-P509 WeakPolarHBondContact O-CA 3.46Å; H194-F510 HydrophobicContact CB-CD1 3.99Å; H194-F510 HydrophobicContact CB-CD2 3.94Å; H194-F510 HydrophobicContact CB-CE1 3.66Å; H194-F510 HydrophobicContact CB-CE2 3.59Å; H194-F510 HydrophobicContact CB-CG 4.13Å; H194-F510 HydrophobicContact CB-CZ 3.44Å; H194-F510 VanDerWaalsContact CB-CZ 3.44Å; H194-F510 PolarHBondContact O-N 3.4Å
195	T	95.3	Very high	97.7	Very high	9 Å²	9	3.2 Å²	3.2	6%	0.055	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-36.6	177.1	71.8	0	0	0	0	113.5	H192 P193 A486 S505 L506	H192-T195 PolarHBondContact CD2-OG1 3.44Å; H192-T195 WeakPolarHBondContact NE2-CG2 3.4Å; H192-T195 PolarHBondContact O-N 3.37Å; P193-T195 VanDerWaalsContact C-N 3.34Å; T195-A486 HydrophobicContact CG2-CB 4.03Å; T195-S505 CarbonylContact O-C 3.58Å; T195-S505 VanDerWaalsContact O-CA 3.23Å; T195-S505 WeakPolarHBondContact O-CA 3.3Å; T195-L506 PolarHBondContact O-N 3.1Å
196	S	95.8	Very high	97.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.02	C	C	.	.			trans	-141.1	165.2	-175.7	-162.1	0	0	0	0	112.8	S504	S196-S504 VanDerWaalsContact OG-CB 3.28Å; S196-S504 WeakPolarHBondContact OG-CB 3.24Å; S196-S504 PolarHBondContact OG-OG 3.47Å
197	G	97.4	Very high	97.7	Very high	9 Å²	9	3.1 Å²	3.1	9%	0.093	2%	0.02	C	C	.	.			trans	171.2	171.5	-179.8	0	0	0	0	0	113.4	G199 G200	G197-G199 PolarHBondContact O-N 3.34Å; G197-G200 PolarHBondContact O-N 3.05Å
198	I	98.4	Very high	97.6	Very high	9 Å²	9	3.8 Å²	3.8	5%	0.046	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.4	-179.5	62.5	175.9	0	0	0	113.6	L186 G200 L250 L324 I327 L328 F339 I520	L186-I198 HydrophobicContact CD2-CG2 4.05Å; I198-G200 VanDerWaalsContact C-N 3.28Å; I198-L250 HydrophobicContact CB-CD1 4.39Å; I198-L250 HydrophobicContact CB-CG 4.3Å; I198-L250 HydrophobicContact CG2-CD1 4.44Å; I198-L250 HydrophobicContact CG2-CD2 4.12Å; I198-L250 HydrophobicContact CG2-CG 4.14Å; I198-L324 HydrophobicContact CD1-CD1 4.34Å; I198-I327 HydrophobicContact CD1-CG2 3.72Å; I198-L328 HydrophobicContact CG2-CD2 4.38Å; I198-F339 HydrophobicContact CB-CE2 4.38Å; I198-F339 HydrophobicContact CD1-CE2 4.08Å; I198-F339 HydrophobicContact CG1-CE2 4.25Å; I198-F339 WeakPolarHBondContact O-CZ 3.5Å; I198-I520 HydrophobicContact CD1-CG1 4.2Å; I198-I520 HydrophobicContact CG1-CG2 4.26Å
199	G	98.2	Very high	97.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.031	C	C	.	.	B	Isolated β-bridge	trans	-85.3	9.6	172.3	0	0	0	0	0	114.6	G197 L521 N523	G197-G199 PolarHBondContact O-N 3.34Å; G199-L521 WeakPolarHBondContact CA-O 3.43Å; G199-N523 WeakPolarHBondContact O-CB 3.5Å; G199-N523 PolarHBondContact O-N 3.43Å; G199-N523 VanDerWaalsContact O-N 3.11Å; G199-N523 PolarHBondContact O-ND2 3.02Å
200	G	98.2	Very high	97	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-119.2	-153.9	175.4	0	0	0	0	0	113.7	G197 I198 E221 P247 G248 M249	G197-G200 PolarHBondContact O-N 3.05Å; I198-G200 VanDerWaalsContact C-N 3.28Å; G200-E221 VanDerWaalsContact C-OE1 3.29Å; G200-E221 VanDerWaalsContact CA-OE1 3.29Å; G200-E221 WeakPolarHBondContact CA-OE1 3.43Å; G200-P247 CarbonylContact O-C 3.58Å; G200-G248 PolarHBondContact O-N 3.26Å; G200-M249 PolarHBondContact O-N 3.17Å
201	G	98.2	Very high	96.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	-167.8	-177.5	0	0	0	0	0	112.2	F219 E221 S504 S505	G201-F219 VanDerWaalsContact CA-O 3.25Å; G201-F219 WeakPolarHBondContact CA-O 3.45Å; G201-E221 WeakPolarHBondContact CA-OE2 3.22Å; G201-E221 PolarHBondContact N-OE1 2.81Å; G201-S504 CarbonylContact O-C 3.58Å; G201-S504 VanDerWaalsContact O-CA 3.3Å; G201-S504 WeakPolarHBondContact O-CA 3.26Å; G201-S504 WeakPolarHBondContact O-CB 3.34Å; G201-S505 PolarHBondContact N-O 2.91Å; G201-S505 PolarHBondContact O-N 2.55Å
202	G	97.8	Very high	96.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.4	-164.2	-175.8	0	0	0	0	0	114.5	F219 R220 V503	G202-F219 VanDerWaalsContact C-CE2 3.43Å; G202-F219 PolarHBondContact N-O 3.48Å; G202-F219 CarbonylContact O-C 3.55Å; G202-F219 WeakPolarHBondContact O-CA 3.25Å; G202-F219 WeakPolarHBondContact O-CD1 3.13Å; G202-F219 WeakPolarHBondContact O-CD2 3.37Å; G202-F219 VanDerWaalsContact O-CG 3.29Å; G202-F219 WeakPolarHBondContact O-CG 3.29Å; G202-F219 PolarHBondContact O-N 2.92Å; G202-R220 PolarHBondContact O-N 3.16Å; G202-R220 VanDerWaalsContact O-N 3.09Å; G202-V503 WeakPolarHBondContact CA-O 3.35Å
203	V	98.4	Very high	96.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.2	-178.1	-168.7	0	0	0	0	109.5	V216 A387 H391 V502 V503 L556 P558	V203-V216 HydrophobicContact CG1-CG1 3.47Å; V203-V216 VanDerWaalsContact CG1-CG1 3.47Å; V203-A387 HydrophobicContact CG1-CB 3.96Å; V203-H391 WeakPolarHBondContact CG2-CE1 3.28Å; V203-H391 WeakPolarHBondContact CG2-NE2 3.48Å; V203-V502 WeakPolarHBondContact O-CA 3.29Å; V203-V503 PolarHBondContact N-O 3.28Å; V203-V503 PolarHBondContact O-N 2.83Å; V203-L556 HydrophobicContact CG2-CB 4.36Å; V203-P558 HydrophobicContact CB-CG 3.83Å; V203-P558 HydrophobicContact CG1-CG 3.7Å
204	M	98.8	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.1	172.9	171.7	-175.4	-61.7	0	0	109.4	V178 I182 V206 V216 I217 F219 M253 A256 V500 S501 V502	V178-M204 HydrophobicContact CG1-SD 4.28Å; I182-M204 HydrophobicContact CG1-CE 4.34Å; M204-V206 HydrophobicContact CG-CG2 3.84Å; M204-V206 HydrophobicContact SD-CG2 3.89Å; M204-V216 CarbonylContact O-C 3.46Å; M204-V216 WeakPolarHBondContact O-CA 3.48Å; M204-I217 HydrophobicContact CB-CB 4.28Å; M204-I217 PolarHBondContact N-O 2.92Å; M204-I217 PolarHBondContact O-N 3.37Å; M204-I217 HydrophobicContact SD-CD1 4.09Å; M204-F219 HydrophobicContact CB-CE1 3.87Å; M204-M253 HydrophobicContact CE-CE 3.91Å; M204-M253 HydrophobicContact CE-SD 3.96Å; M204-A256 HydrophobicContact CE-CB 4.07Å; M204-A256 HydrophobicContact SD-CB 3.52Å; M204-A256 VanDerWaalsContact SD-CB 3.52Å; M204-V500 HydrophobicContact CG-CG1 4.16Å; M204-V500 HydrophobicContact SD-CG1 4.32Å; M204-S501 CarbonylContact C-O 3.59Å; M204-S501 WeakPolarHBondContact CA-O 3.34Å; M204-V502 HydrophobicContact CB-CG1 4.41Å; M204-V502 HydrophobicContact CB-CG2 4.21Å; M204-V502 HydrophobicContact CE-CG1 4.46Å; M204-V502 HydrophobicContact CE-CG2 3.59Å; M204-V502 HydrophobicContact CG-CG2 3.94Å; M204-V502 HydrophobicContact SD-CG2 4.47Å
205	L	98.8	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.4	171.1	-171.9	157.1	0	0	0	108.5	T214 V216 M385 V500 S501 P558 A560	L205-T214 HydrophobicContact CD1-CG2 4.38Å; L205-T214 HydrophobicContact CD2-CG2 3.71Å; L205-T214 HydrophobicContact CG-CG2 3.93Å; L205-V216 HydrophobicContact CD1-CG2 4.22Å; L205-V216 HydrophobicContact CG-CG2 4.28Å; L205-M385 HydrophobicContact CD1-CB 4.39Å; L205-M385 WeakPolarHBondContact CD1-O 3.22Å; L205-V500 WeakPolarHBondContact O-CA 3.48Å; L205-S501 PolarHBondContact N-O 2.59Å; L205-S501 PolarHBondContact O-N 2.99Å; L205-P558 HydrophobicContact CB-CB 3.96Å; L205-P558 HydrophobicContact CB-CG 4.2Å; L205-A560 HydrophobicContact CD2-CB 3.42Å; L205-A560 VanDerWaalsContact CD2-CB 3.42Å
206	V	98.8	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.6	175.9	-175.4	0	0	0	0	108.8	V178 M204 T214 R215 I217 Y260 H498 I499 V500	V178-V206 HydrophobicContact CG2-CG1 4.04Å; V178-V206 HydrophobicContact CG2-CG2 3.95Å; M204-V206 HydrophobicContact CG-CG2 3.84Å; M204-V206 HydrophobicContact SD-CG2 3.89Å; V206-T214 CarbonylContact O-C 3.15Å; V206-T214 WeakPolarHBondContact O-CA 3.21Å; V206-R215 PolarHBondContact N-O 3.16Å; V206-R215 PolarHBondContact O-N 3.46Å; V206-I217 HydrophobicContact CG2-CD1 4.5Å; V206-Y260 HydrophobicContact CB-CD2 4.38Å; V206-Y260 HydrophobicContact CB-CE2 3.88Å; V206-Y260 HydrophobicContact CG1-CD1 4.49Å; V206-Y260 HydrophobicContact CG1-CD2 4.1Å; V206-Y260 HydrophobicContact CG1-CE1 4.32Å; V206-Y260 HydrophobicContact CG1-CE2 3.89Å; V206-Y260 HydrophobicContact CG1-CG 4.39Å; V206-Y260 HydrophobicContact CG2-CD2 4.15Å; V206-Y260 HydrophobicContact CG2-CE2 3.97Å; V206-H498 HydrophobicContact CG1-CB 4.45Å; V206-I499 CarbonylContact C-O 3.37Å; V206-I499 WeakPolarHBondContact CA-O 3.38Å; V206-V500 HydrophobicContact CG1-CG2 4.35Å; V206-V500 HydrophobicContact CG2-CG1 4.34Å; V206-V500 HydrophobicContact CG2-CG2 4.42Å
207	H	98	Very high	97.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123	169	177.6	69.5	0	0	0	110.2	E213 T214 H498 I499 A560 R562	H207-E213 PolarHBondContact ND1-O 3.33Å; H207-T214 HydrophobicContact CB-CG2 4.34Å; H207-T214 PolarHBondContact ND1-OG1 3.21Å; H207-H498 CarbonylContact O-C 3.59Å; H207-H498 WeakPolarHBondContact O-CA 3.02Å; H207-I499 HydrophobicContact CB-CB 4.23Å; H207-I499 PolarHBondContact N-O 3.16Å; H207-I499 PolarHBondContact O-N 3.03Å; H207-A560 HydrophobicContact CB-CB 4.49Å; H207-R562 WeakPolarHBondContact CE1-CD 3.44Å
208	N	96.3	Very high	97.1	Very high	14 Å²	14	28.3 Å²	28.3	8%	0.075	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	109.7	171.8	-176	-52.2	0	0	0	109.2	R210 K211 N212 E213 H498	N208-R210 VanDerWaalsContact C-N 3.34Å; N208-R210 PolarHBondContact O-N 2.99Å; N208-R210 PolarHBondContact OD1-N 2.88Å; N208-K211 HydrophobicContact CB-CB 4.3Å; N208-K211 PolarHBondContact OD1-N 3.24Å; N208-N212 WeakPolarHBondContact O-CA 3.41Å; N208-N212 PolarHBondContact O-N 3.25Å; N208-E213 PolarHBondContact N-O 3.02Å; N208-E213 PolarHBondContact O-N 3.42Å; N208-H498 PolarHBondContact ND2-NE2 3.32Å
209	I	93.3	Very high	97.1	Very high	31 Å²	31	27.9 Å²	27.9	16%	0.159	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-38.8	-176.2	-60.6	168.3	0	0	0	111	N212 D497 I499 Y571	I209-N212 PolarHBondContact O-N 3.41Å; I209-D497 HydrophobicContact CB-CB 4.13Å; I209-D497 WeakPolarHBondContact CB-O 3.46Å; I209-D497 HydrophobicContact CD1-CB 4.32Å; I209-D497 VanDerWaalsContact CG1-O 3.3Å; I209-D497 WeakPolarHBondContact CG1-O 3.34Å; I209-D497 PolarHBondContact N-O 3.48Å; I209-I499 HydrophobicContact CD1-CD1 4.03Å; I209-I499 HydrophobicContact CD1-CG1 3.98Å; I209-I499 HydrophobicContact CG1-CD1 4.06Å; I209-I499 HydrophobicContact CG1-CG1 4.18Å; I209-Y571 HydrophobicContact CD1-CD1 4.15Å; I209-Y571 HydrophobicContact CD1-CE1 4.14Å; I209-Y571 HydrophobicContact CD1-CG 4.43Å; I209-Y571 HydrophobicContact CG1-CD1 4.16Å; I209-Y571 HydrophobicContact CG1-CE1 3.89Å; I209-Y571 HydrophobicContact CG2-CE1 3.96Å
210	R	91.3	Very high	97.1	Very high	177 Å²	177	27.9 Å²	27.9	67%	0.668	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-40.6	-176.5	-56.9	-173.7	-159.9	176.1	5.8	112.7	N208 D497	N208-R210 VanDerWaalsContact C-N 3.34Å; N208-R210 PolarHBondContact O-N 2.99Å; N208-R210 PolarHBondContact OD1-N 2.88Å; R210-D497 HydrophobicContact CG-CB 4.03Å; R210-D497 IonicContact CZ-OD2 2.65Å; R210-D497 IonicContact NE-OD2 3.11Å; R210-D497 PolarHBondContact NE-OD2 2.78Å; R210-D497 IonicContact NH2-OD2 3.61Å; R210-D497 PolarHBondContact NH2-OD2 2.84Å
211	K	94.1	Very high	97.1	Very high	150 Å²	150	27.9 Å²	27.9	65%	0.652	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.9	179.2	-65.9	-177.6	179.1	177.9	0	112.5	N208 E213	N208-K211 HydrophobicContact CB-CB 4.3Å; N208-K211 PolarHBondContact OD1-N 3.24Å; K211-E213 HydrophobicContact CB-CB 4.1Å; K211-E213 PolarHBondContact O-N 2.87Å
212	N	93.1	Very high	97.1	Very high	81 Å²	81	28.6 Å²	28.6	43%	0.433	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	46.5	-169.2	-170.4	46.3	0	0	0	111.6	N208 I209 R562	N208-N212 WeakPolarHBondContact O-CA 3.41Å; N208-N212 PolarHBondContact O-N 3.25Å; I209-N212 PolarHBondContact O-N 3.41Å; N212-R562 WeakPolarHBondContact OD1-CD 3.29Å; N212-R562 PolarHBondContact OD1-NE 2.93Å
213	E	95.5	Very high	97.1	Very high	56 Å²	56	28.6 Å²	28.6	26%	0.262	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.7	-177.1	-174.7	-176.8	177.4	0	0	109.2	H207 N208 K211 R215	H207-E213 PolarHBondContact ND1-O 3.33Å; N208-E213 PolarHBondContact N-O 3.02Å; N208-E213 PolarHBondContact O-N 3.42Å; K211-E213 HydrophobicContact CB-CB 4.1Å; K211-E213 PolarHBondContact O-N 2.87Å; E213-R215 IonicContact OE1-CZ 3.62Å; E213-R215 IonicContact OE1-NE 2.63Å; E213-R215 PolarHBondContact OE1-NE 3.27Å; E213-R215 IonicContact OE1-NH2 3.09Å; E213-R215 PolarHBondContact OE1-NH2 2.95Å; E213-R215 IonicContact OE2-NH2 2.88Å
214	T	97.9	Very high	97	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.043	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.5	174.8	-54.5	0	0	0	0	109.4	L205 V206 H207 Q373 P374 M385	L205-T214 HydrophobicContact CD1-CG2 4.38Å; L205-T214 HydrophobicContact CD2-CG2 3.71Å; L205-T214 HydrophobicContact CG-CG2 3.93Å; V206-T214 CarbonylContact O-C 3.15Å; V206-T214 WeakPolarHBondContact O-CA 3.21Å; H207-T214 HydrophobicContact CB-CG2 4.34Å; H207-T214 PolarHBondContact ND1-OG1 3.21Å; T214-Q373 PolarHBondContact O-OE1 3.43Å; T214-P374 HydrophobicContact CG2-CB 4.09Å; T214-P374 HydrophobicContact CG2-CG 3.64Å; T214-M385 HydrophobicContact CG2-CB 4.28Å; T214-M385 HydrophobicContact CG2-SD 4.3Å; T214-M385 PolarHBondContact OG1-SD 2.99Å
215	R	98.4	Very high	97	Very high	66 Å²	66	30.5 Å²	30.5	25%	0.249	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142	170.6	-60.4	-167.1	-170.9	164.1	-0.2	110.6	V206 E213 Y260 I371	V206-R215 PolarHBondContact N-O 3.16Å; V206-R215 PolarHBondContact O-N 3.46Å; E213-R215 IonicContact OE1-CZ 3.62Å; E213-R215 IonicContact OE1-NE 2.63Å; E213-R215 PolarHBondContact OE1-NE 3.27Å; E213-R215 IonicContact OE1-NH2 3.09Å; E213-R215 PolarHBondContact OE1-NH2 2.95Å; E213-R215 IonicContact OE2-NH2 2.88Å; R215-Y260 VanDerWaalsContact CD-OH 3.25Å; R215-Y260 WeakPolarHBondContact CD-OH 3.22Å; R215-Y260 WeakPolarHBondContact CG-OH 3.4Å; R215-I371 HydrophobicContact CB-CG2 4.42Å
216	V	98.7	Very high	96.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.1	168.7	-179.5	0	0	0	0	107.6	V203 M204 L205 I371 Q372 P374 A387	V203-V216 HydrophobicContact CG1-CG1 3.47Å; V203-V216 VanDerWaalsContact CG1-CG1 3.47Å; M204-V216 CarbonylContact O-C 3.46Å; M204-V216 WeakPolarHBondContact O-CA 3.48Å; L205-V216 HydrophobicContact CD1-CG2 4.22Å; L205-V216 HydrophobicContact CG-CG2 4.28Å; V216-I371 WeakPolarHBondContact O-CA 3.45Å; V216-Q372 HydrophobicContact CB-CG 4.12Å; V216-Q372 HydrophobicContact CG1-CG 4.45Å; V216-Q372 PolarHBondContact N-O 2.85Å; V216-Q372 PolarHBondContact O-N 3.41Å; V216-P374 HydrophobicContact CG2-CB 3.9Å; V216-A387 HydrophobicContact CG1-CB 4.07Å
217	I	98.8	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	99.5	176.1	-54.7	174.8	0	0	0	105.8	M204 V206 F219 A256 L259 Y260 T369	M204-I217 HydrophobicContact CB-CB 4.28Å; M204-I217 PolarHBondContact N-O 2.92Å; M204-I217 PolarHBondContact O-N 3.37Å; M204-I217 HydrophobicContact SD-CD1 4.09Å; V206-I217 HydrophobicContact CG2-CD1 4.5Å; I217-F219 HydrophobicContact CG2-CD1 4.37Å; I217-F219 WeakPolarHBondContact O-CD1 3.43Å; I217-A256 HydrophobicContact CD1-CB 3.53Å; I217-L259 HydrophobicContact CD1-CD1 4.31Å; I217-Y260 HydrophobicContact CD1-CE2 4.26Å; I217-T369 HydrophobicContact CG2-CG2 3.39Å
218	D	98.5	Very high	96.3	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	103.5	-179.2	-176.5	-7.3	0	0	0	109.8	R220 T369 V370 H391 R551	D218-R220 WeakPolarHBondContact OD1-CB 3.46Å; D218-R220 PolarHBondContact OD1-N 2.91Å; D218-T369 WeakPolarHBondContact O-CG2 3.35Å; D218-V370 HydrophobicContact CB-CB 4.29Å; D218-V370 PolarHBondContact N-O 2.99Å; D218-V370 PolarHBondContact O-N 2.86Å; D218-H391 IonicContact OD1-CE1 3.29Å; D218-H391 IonicContact OD1-NE2 3.68Å; D218-H391 PolarHBondContact OD1-NE2 3.37Å; D218-H391 IonicContact OD2-CD2 3.15Å; D218-H391 IonicContact OD2-CE1 2.72Å; D218-H391 IonicContact OD2-NE2 3.73Å; D218-H391 PolarHBondContact OD2-NE2 3.21Å; D218-R551 IonicContact OD1-NE 2.76Å
219	F	98.3	Very high	95.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	33.8	175.2	58.5	-87.6	0	0	0	110.7	G201 G202 M204 I217 G248 M249 G252 M253 Y367 T369 V502	G201-F219 VanDerWaalsContact CA-O 3.25Å; G201-F219 WeakPolarHBondContact CA-O 3.45Å; G202-F219 VanDerWaalsContact C-CE2 3.43Å; G202-F219 PolarHBondContact N-O 3.48Å; G202-F219 CarbonylContact O-C 3.55Å; G202-F219 WeakPolarHBondContact O-CA 3.25Å; G202-F219 WeakPolarHBondContact O-CD1 3.13Å; G202-F219 WeakPolarHBondContact O-CD2 3.37Å; G202-F219 VanDerWaalsContact O-CG 3.29Å; G202-F219 WeakPolarHBondContact O-CG 3.29Å; G202-F219 PolarHBondContact O-N 2.92Å; M204-F219 HydrophobicContact CB-CE1 3.87Å; I217-F219 HydrophobicContact CG2-CD1 4.37Å; I217-F219 WeakPolarHBondContact O-CD1 3.43Å; F219-G248 WeakPolarHBondContact O-CA 3.29Å; F219-M249 HydrophobicContact CD2-SD 4.4Å; F219-M249 HydrophobicContact CE2-SD 3.7Å; F219-M249 HydrophobicContact CZ-SD 4.44Å; F219-G252 VanDerWaalsContact CB-CA 3.48Å; F219-M253 HydrophobicContact CE1-CE 3.85Å; F219-M253 HydrophobicContact CE2-CE 3.91Å; F219-M253 HydrophobicContact CZ-CE 3.43Å; F219-M253 VanDerWaalsContact CZ-CE 3.43Å; F219-Y367 WeakPolarHBondContact CA-OH 3.4Å; F219-Y367 PolarHBondContact O-OH 3.24Å; F219-T369 HydrophobicContact CB-CG2 4.16Å; F219-V502 HydrophobicContact CZ-CG1 4.12Å
220	R	97.4	Very high	95.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.			trans	-62.8	144.7	170.4	-165.4	64.4	163.6	161.7	-10	110.1	G202 D218 Y367 D528 R551 S554 L556	G202-R220 PolarHBondContact O-N 3.16Å; G202-R220 VanDerWaalsContact O-N 3.09Å; D218-R220 WeakPolarHBondContact OD1-CB 3.46Å; D218-R220 PolarHBondContact OD1-N 2.91Å; R220-Y367 WeakPolarHBondContact O-CE2 3.45Å; R220-Y367 PolarHBondContact O-OH 3.44Å; R220-D528 IonicContact CZ-OD2 2.75Å; R220-D528 IonicContact NH2-OD2 3.64Å; R220-D528 PolarHBondContact NH2-OD2 3.26Å; R220-R551 HydrophobicContact CB-CG 4.36Å; R220-S554 PolarHBondContact NH2-OG 3.02Å; R220-L556 VanDerWaalsContact NH1-CD1 3.28Å
221	E	98.3	Very high	95.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.			trans	-66.3	149.3	178	-48.6	90.9	134.4	0	0	110.8	G200 G201 V246 N523 Q525	G200-E221 VanDerWaalsContact C-OE1 3.29Å; G200-E221 VanDerWaalsContact CA-OE1 3.29Å; G200-E221 WeakPolarHBondContact CA-OE1 3.43Å; G201-E221 WeakPolarHBondContact CA-OE2 3.22Å; G201-E221 PolarHBondContact N-OE1 2.81Å; E221-V246 VanDerWaalsContact CA-O 3.22Å; E221-V246 WeakPolarHBondContact CA-O 3.11Å; E221-V246 WeakPolarHBondContact CB-O 3.45Å; E221-V246 WeakPolarHBondContact CG-O 3.16Å; E221-N523 WeakPolarHBondContact OE1-CB 3.33Å; E221-Q525 HydrophobicContact CB-CB 4.03Å; E221-Q525 HydrophobicContact CB-CG 3.75Å; E221-Q525 HydrophobicContact CG-CB 4.17Å; E221-Q525 HydrophobicContact CG-CG 4.09Å; E221-Q525 WeakPolarHBondContact OE2-CG 3.38Å
222	T	98.2	Very high	95.1	Very high	14 Å²	14	31.1 Å²	31.1	9%	0.086	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-108.5	150.9	176.1	55.8	0	0	0	0	110.7	G245 V246 Y367 R549 K550 R551	T222-G245 WeakPolarHBondContact O-CA 3.07Å; T222-V246 PolarHBondContact O-N 2.95Å; T222-Y367 HydrophobicContact CG2-CD2 4.16Å; T222-Y367 HydrophobicContact CG2-CE2 3.96Å; T222-R549 WeakPolarHBondContact CB-O 3.4Å; T222-R549 WeakPolarHBondContact CG2-O 3.48Å; T222-K550 WeakPolarHBondContact CA-O 3.29Å; T222-R551 HydrophobicContact CG2-CG 3.87Å
223	A	97.9	Very high	94.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.			trans	-65.5	140.6	173.8	0	0	0	0	0	111.3	I227 I526 F529 I546 E547 R549 K550	A223-I227 HydrophobicContact CB-CG2 4.02Å; A223-I526 HydrophobicContact CB-CD1 3.91Å; A223-F529 HydrophobicContact CB-CE2 3.84Å; A223-F529 HydrophobicContact CB-CZ 4.06Å; A223-I546 HydrophobicContact CB-CG1 4.31Å; A223-E547 WeakPolarHBondContact CB-O 3.46Å; A223-R549 VanDerWaalsContact O-CA 3.26Å; A223-R549 WeakPolarHBondContact O-CA 3.3Å; A223-R549 PolarHBondContact O-N 3.42Å; A223-K550 PolarHBondContact N-O 3.05Å
224	P	97.9	Very high	93.9	Very high	2 Å²	2	31 Å²	31	1%	0.013	17%	0.168	C	C	.	.			trans	-56.9	148.5	175.6	-24.2	32.5	0	0	0	112	A226 I227 V358 L359	P224-A226 PolarHBondContact O-N 3.39Å; P224-I227 HydrophobicContact CB-CB 4.41Å; P224-I227 WeakPolarHBondContact O-CG2 3.37Å; P224-I227 PolarHBondContact O-N 3.21Å; P224-V358 HydrophobicContact CB-CG2 4.03Å; P224-V358 HydrophobicContact CG-CG2 4.34Å; P224-L359 HydrophobicContact CB-CD1 4.26Å; P224-L359 HydrophobicContact CG-CD1 3.91Å
225	S	96.9	Very high	93	Very high	39 Å²	39	35.2 Å²	35.2	27%	0.273	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.5	-179.1	55.7	0	0	0	0	114	D363 A548	S225-D363 WeakPolarHBondContact CB-OD1 3.39Å; S225-D363 PolarHBondContact N-OD1 3.22Å; S225-D363 PolarHBondContact OG-OD1 3Å; S225-A548 WeakPolarHBondContact O-CB 3.39Å
226	A	96.2	Very high	92.2	Very high	43 Å²	43	33.4 Å²	33.4	36%	0.355	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.3	-178.7	0	0	0	0	0	114.3	P224 V358	P224-A226 PolarHBondContact O-N 3.39Å; A226-V358 HydrophobicContact CB-CB 4.05Å; A226-V358 HydrophobicContact CB-CG2 4.43Å
227	I	94.6	Very high	91.2	Very high	11 Å²	11	39.4 Å²	39.4	6%	0.056	22%	0.218	C	C	.	.			trans	-69.1	139.1	179.7	-156.4	72.9	0	0	0	110.3	A223 P224 L242 V358 I546	A223-I227 HydrophobicContact CB-CG2 4.02Å; P224-I227 HydrophobicContact CB-CB 4.41Å; P224-I227 WeakPolarHBondContact O-CG2 3.37Å; P224-I227 PolarHBondContact O-N 3.21Å; I227-L242 HydrophobicContact CD1-CD2 3.89Å; I227-V358 HydrophobicContact CB-CG2 4.02Å; I227-V358 HydrophobicContact CD1-CG2 3.51Å; I227-V358 HydrophobicContact CG1-CG2 4.35Å; I227-I546 HydrophobicContact CB-CD1 4.33Å; I227-I546 HydrophobicContact CG1-CD1 3.51Å; I227-I546 HydrophobicContact CG1-CG1 4.47Å; I227-I546 HydrophobicContact CG2-CD1 3.77Å; I227-I546 HydrophobicContact CG2-CG1 3.87Å
228	Q	90.3	Very high	90.3	Very high	108 Å²	108	45.2 Å²	45.2	51%	0.505	25%	0.248	S	C	.	.			trans	-131.7	145.2	174.8	-62.6	178.8	9.6	0	0	109.5	N230 M231	Q228-N230 VanDerWaalsContact C-N 3.27Å; Q228-N230 WeakPolarHBondContact CB-OD1 3.29Å; Q228-N230 PolarHBondContact O-N 3.37Å; Q228-M231 HydrophobicContact CB-CE 4.02Å; Q228-M231 HydrophobicContact CB-CG 4.16Å; Q228-M231 HydrophobicContact CB-SD 4.32Å; Q228-M231 HydrophobicContact CG-CE 4Å; Q228-M231 VanDerWaalsContact O-CB 3.27Å; Q228-M231 WeakPolarHBondContact O-CB 3.49Å; Q228-M231 PolarHBondContact O-N 2.72Å
229	E	87.7	Confident	89.8	Confident	71 Å²	71	48.8 Å²	48.8	33%	0.332	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-55.7	-40.7	-177	-170.6	-172.2	119.3	0	0	112.8	M231 L232 W531 P532 I546	E229-M231 PolarHBondContact O-N 2.75Å; E229-M231 VanDerWaalsContact O-N 3.14Å; E229-L232 WeakPolarHBondContact O-CB 3.49Å; E229-L232 PolarHBondContact O-N 2.91Å; E229-W531 HydrophobicContact CG-CB 4.18Å; E229-P532 VanDerWaalsContact CD-CD 3.46Å; E229-P532 WeakPolarHBondContact OE1-CD 3.45Å; E229-P532 WeakPolarHBondContact OE1-CG 3.35Å; E229-I546 HydrophobicContact CB-CG2 3.89Å; E229-I546 HydrophobicContact CG-CG2 4.14Å
230	N	87.5	Confident	89.5	Confident	98 Å²	98	49.7 Å²	49.7	52%	0.524	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-61.6	-22.4	178.3	66	-19.8	0	0	0	113.9	Q228 L232 L233	Q228-N230 VanDerWaalsContact C-N 3.27Å; Q228-N230 WeakPolarHBondContact CB-OD1 3.29Å; Q228-N230 PolarHBondContact O-N 3.37Å; N230-L232 VanDerWaalsContact C-N 3.27Å; N230-L232 PolarHBondContact O-N 3.3Å; N230-L233 PolarHBondContact O-N 3.47Å
231	M	89.8	Confident	89.4	Confident	52 Å²	52	49.7 Å²	49.7	26%	0.256	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-70	-28	176.8	-58.7	-179.7	-179.1	0	0	111.5	Q228 E229 L233 A234 L242 V358	Q228-M231 HydrophobicContact CB-CE 4.02Å; Q228-M231 HydrophobicContact CB-CG 4.16Å; Q228-M231 HydrophobicContact CB-SD 4.32Å; Q228-M231 HydrophobicContact CG-CE 4Å; Q228-M231 VanDerWaalsContact O-CB 3.27Å; Q228-M231 WeakPolarHBondContact O-CB 3.49Å; Q228-M231 PolarHBondContact O-N 2.72Å; E229-M231 PolarHBondContact O-N 2.75Å; E229-M231 VanDerWaalsContact O-N 3.14Å; M231-L233 VanDerWaalsContact C-N 3.28Å; M231-L233 PolarHBondContact O-N 3.49Å; M231-A234 WeakPolarHBondContact O-CB 3.32Å; M231-A234 PolarHBondContact O-N 2.99Å; M231-L242 HydrophobicContact CB-CD1 4.06Å; M231-L242 HydrophobicContact CB-CD2 4.29Å; M231-L242 WeakPolarHBondContact O-CD1 3.32Å; M231-L242 HydrophobicContact SD-CD2 4.26Å; M231-V358 HydrophobicContact CE-CG1 4.39Å; M231-V358 HydrophobicContact SD-CG1 3.91Å
232	L	86.1	Confident	89.3	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-78.2	-12.4	-179.3	-56.1	-176.2	0	0	0	113.5	E229 N230 A234 L236 I526 W531 I546	E229-L232 WeakPolarHBondContact O-CB 3.49Å; E229-L232 PolarHBondContact O-N 2.91Å; N230-L232 VanDerWaalsContact C-N 3.27Å; N230-L232 PolarHBondContact O-N 3.3Å; L232-A234 PolarHBondContact O-N 2.89Å; L232-L236 HydrophobicContact CD2-CD2 4.21Å; L232-I526 HydrophobicContact CD1-CG2 4.27Å; L232-I526 HydrophobicContact CD2-CG2 4.01Å; L232-W531 HydrophobicContact CB-CD2 4.15Å; L232-W531 HydrophobicContact CB-CG 4.16Å; L232-W531 HydrophobicContact CD1-CB 4.37Å; L232-W531 HydrophobicContact CD1-CD2 3.82Å; L232-W531 HydrophobicContact CD1-CE3 3.63Å; L232-W531 HydrophobicContact CD1-CG 4.17Å; L232-W531 HydrophobicContact CD1-CZ3 4.13Å; L232-I546 HydrophobicContact CD1-CB 4.36Å; L232-I546 HydrophobicContact CD1-CD1 3.78Å; L232-I546 HydrophobicContact CD1-CG2 3.91Å
233	L	83.5	Confident	89.1	Confident	101 Å²	101	50.2 Å²	50.2	53%	0.529	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-73.9	-8.8	172.5	-58.1	177.6	0	0	0	112.7	N230 M231 P532	N230-L233 PolarHBondContact O-N 3.47Å; M231-L233 VanDerWaalsContact C-N 3.28Å; M231-L233 PolarHBondContact O-N 3.49Å; L233-P532 VanDerWaalsContact CD2-O 3.3Å; L233-P532 WeakPolarHBondContact CD2-O 3.37Å
234	A	78.7	Confident	89.1	Confident	34 Å²	34	50.2 Å²	50.2	28%	0.281	27%	0.273	S	S	.	.	S	Bend	trans	-76.9	166.8	174.8	0	0	0	0	0	111.7	M231 L232 L236 K239	M231-A234 WeakPolarHBondContact O-CB 3.32Å; M231-A234 PolarHBondContact O-N 2.99Å; L232-A234 PolarHBondContact O-N 2.89Å; A234-L236 PolarHBondContact O-N 3.03Å; A234-K239 HydrophobicContact CB-CD 3.94Å
235	N	79.6	Confident	89.1	Confident	94 Å²	94	50.1 Å²	50.1	50%	0.503	27%	0.272	S	S	.	.			trans	-68.6	102.8	171.3	-173.6	-14.8	0	0	0	110.2	D237 L238 K239	N235-D237 PolarHBondContact O-N 3.16Å; N235-D237 WeakPolarHBondContact OD1-CB 3.38Å; N235-D237 PolarHBondContact OD1-N 3.13Å; N235-D237 VanDerWaalsContact OD1-N 3.08Å; N235-L238 HydrophobicContact CB-CD1 4.21Å; N235-L238 HydrophobicContact CB-CG 4.35Å; N235-L238 PolarHBondContact O-N 3.12Å; N235-L238 VanDerWaalsContact O-N 3.08Å; N235-K239 PolarHBondContact O-N 2.62Å
236	L	82.4	Confident	89.2	Confident	28 Å²	28	48.3 Å²	48.3	15%	0.147	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.9	-177.2	-64.4	177.9	0	0	0	113.5	L232 A234 L238 K239 A240 L242 L243 L527 W531	L232-L236 HydrophobicContact CD2-CD2 4.21Å; A234-L236 PolarHBondContact O-N 3.03Å; L236-L238 PolarHBondContact O-N 3.32Å; L236-K239 CarbonylContact O-C 3.57Å; L236-K239 VanDerWaalsContact O-C 3.31Å; L236-K239 PolarHBondContact O-N 2.99Å; L236-A240 PolarHBondContact O-N 2.83Å; L236-L242 HydrophobicContact CD2-CB 4.34Å; L236-L242 HydrophobicContact CD2-CD1 4.36Å; L236-L243 HydrophobicContact CB-CD2 4.13Å; L236-L243 HydrophobicContact CD1-CD2 3.96Å; L236-L243 HydrophobicContact CD2-CD2 4.22Å; L236-L243 HydrophobicContact CG-CD2 4.33Å; L236-L527 HydrophobicContact CD1-CD2 4.22Å; L236-W531 HydrophobicContact CD1-CH2 4.26Å; L236-W531 HydrophobicContact CD1-CZ2 3.85Å
237	D	77.2	Confident	89.3	Confident	127 Å²	127	46.2 Å²	46.2	68%	0.679	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-26.8	173.5	-70.6	-34	0	0	0	112.1	N235	N235-D237 PolarHBondContact O-N 3.16Å; N235-D237 WeakPolarHBondContact OD1-CB 3.38Å; N235-D237 PolarHBondContact OD1-N 3.13Å; N235-D237 VanDerWaalsContact OD1-N 3.08Å
238	L	78.9	Confident	89.5	Confident	121 Å²	121	45.7 Å²	45.7	63%	0.634	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-23.8	175.9	-61.2	178.6	0	0	0	112.2	N235 L236	N235-L238 HydrophobicContact CB-CD1 4.21Å; N235-L238 HydrophobicContact CB-CG 4.35Å; N235-L238 PolarHBondContact O-N 3.12Å; N235-L238 VanDerWaalsContact O-N 3.08Å; L236-L238 PolarHBondContact O-N 3.32Å
239	K	89.1	Confident	89.9	Confident	77 Å²	77	40.7 Å²	40.7	34%	0.335	22%	0.217	S	C	.	.			trans	-119.2	51.5	-176.1	-59.9	-167.1	177.1	-174.2	0	111.9	A234 N235 L236 G241 L242 K355 D356	A234-K239 HydrophobicContact CB-CD 3.94Å; N235-K239 PolarHBondContact O-N 2.62Å; L236-K239 CarbonylContact O-C 3.57Å; L236-K239 VanDerWaalsContact O-C 3.31Å; L236-K239 PolarHBondContact O-N 2.99Å; K239-G241 PolarHBondContact O-N 2.88Å; K239-L242 HydrophobicContact CB-CD1 3.8Å; K239-L242 HydrophobicContact CB-CG 4.15Å; K239-L242 HydrophobicContact CD-CD1 3.89Å; K239-L242 WeakPolarHBondContact O-CB 3.08Å; K239-L242 PolarHBondContact O-N 2.93Å; K239-K355 CarbonylContact C-O 3.47Å; K239-D356 HydrophobicContact CB-CB 4.14Å; K239-D356 HydrophobicContact CD-CB 4.09Å; K239-D356 HydrophobicContact CG-CB 3.92Å
240	A	91.7	Very high	90.4	Very high	19 Å²	19	37.3 Å²	37.3	16%	0.157	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-58.1	-22.2	-175.8	0	0	0	0	0	113.5	L236 L242 L243 I514	L236-A240 PolarHBondContact O-N 2.83Å; A240-L242 PolarHBondContact O-N 3.49Å; A240-L243 VanDerWaalsContact O-CB 3.29Å; A240-L243 WeakPolarHBondContact O-CB 3.43Å; A240-L243 WeakPolarHBondContact O-CG 3.08Å; A240-L243 PolarHBondContact O-N 3.32Å; A240-L243 VanDerWaalsContact O-N 3.14Å; A240-I514 HydrophobicContact CB-CD1 4.12Å; A240-I514 HydrophobicContact CB-CG1 4.36Å
241	G	95.1	Very high	91	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.01	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-65.8	-23.3	175.3	0	0	0	0	0	113.8	K239 L243 V352 K355 G357	K239-G241 PolarHBondContact O-N 2.88Å; G241-L243 PolarHBondContact O-N 3.37Å; G241-V352 WeakPolarHBondContact O-CG1 3.15Å; G241-K355 WeakPolarHBondContact CA-O 3.37Å; G241-K355 PolarHBondContact N-O 3.39Å; G241-G357 WeakPolarHBondContact O-CA 3.47Å
242	L	95.7	Very high	91.4	Very high	4 Å²	4	31 Å²	31	2%	0.021	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-71.8	-14.6	174.3	-64.7	176.5	0	0	0	112.8	I227 M231 L236 K239 A240 V244 D356 V358 I526	I227-L242 HydrophobicContact CD1-CD2 3.89Å; M231-L242 HydrophobicContact CB-CD1 4.06Å; M231-L242 HydrophobicContact CB-CD2 4.29Å; M231-L242 WeakPolarHBondContact O-CD1 3.32Å; M231-L242 HydrophobicContact SD-CD2 4.26Å; L236-L242 HydrophobicContact CD2-CB 4.34Å; L236-L242 HydrophobicContact CD2-CD1 4.36Å; K239-L242 HydrophobicContact CB-CD1 3.8Å; K239-L242 HydrophobicContact CB-CG 4.15Å; K239-L242 HydrophobicContact CD-CD1 3.89Å; K239-L242 WeakPolarHBondContact O-CB 3.08Å; K239-L242 PolarHBondContact O-N 2.93Å; A240-L242 PolarHBondContact O-N 3.49Å; L242-V244 VanDerWaalsContact C-N 3.31Å; L242-D356 WeakPolarHBondContact CD2-O 3.45Å; L242-V358 HydrophobicContact CD2-CG1 4.08Å; L242-V358 HydrophobicContact CD2-CG2 4.41Å; L242-I526 WeakPolarHBondContact O-CG1 3.15Å
243	L	95.2	Very high	92	Very high	20 Å²	20	30.8 Å²	30.8	11%	0.105	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-79.4	-17.3	-179.5	-56.1	-178.5	0	0	0	113	L236 A240 G241 S524 Q525 I526 L527	L236-L243 HydrophobicContact CB-CD2 4.13Å; L236-L243 HydrophobicContact CD1-CD2 3.96Å; L236-L243 HydrophobicContact CD2-CD2 4.22Å; L236-L243 HydrophobicContact CG-CD2 4.33Å; A240-L243 VanDerWaalsContact O-CB 3.29Å; A240-L243 WeakPolarHBondContact O-CB 3.43Å; A240-L243 WeakPolarHBondContact O-CG 3.08Å; A240-L243 PolarHBondContact O-N 3.32Å; A240-L243 VanDerWaalsContact O-N 3.14Å; G241-L243 PolarHBondContact O-N 3.37Å; L243-S524 CarbonylContact O-C 3.59Å; L243-S524 VanDerWaalsContact O-CA 3.25Å; L243-S524 WeakPolarHBondContact O-CA 3.27Å; L243-Q525 PolarHBondContact O-N 3.26Å; L243-Q525 VanDerWaalsContact O-N 3.08Å; L243-I526 WeakPolarHBondContact O-CB 3.14Å; L243-I526 WeakPolarHBondContact O-CG1 3.45Å; L243-I526 PolarHBondContact O-N 3.24Å; L243-I526 VanDerWaalsContact O-N 3.1Å; L243-L527 HydrophobicContact CD2-CD2 3.6Å; L243-L527 HydrophobicContact CD2-CG 3.97Å
244	V	97.9	Very high	92.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-86.6	117.5	-168.1	-176.2	0	0	0	0	110.6	L242 V352 L359 I514 L522	L242-V244 VanDerWaalsContact C-N 3.31Å; V244-V352 HydrophobicContact CB-CG2 4.09Å; V244-V352 HydrophobicContact CG1-CG2 3.98Å; V244-V352 HydrophobicContact CG2-CG2 4.06Å; V244-L359 HydrophobicContact CG1-CD2 4.24Å; V244-I514 HydrophobicContact CG2-CD1 4.3Å; V244-L522 HydrophobicContact CG1-CB 4.08Å; V244-L522 HydrophobicContact CG1-CD1 4.27Å; V244-L522 HydrophobicContact CG2-CB 4.06Å; V244-L522 HydrophobicContact CG2-CD1 4.42Å
245	G	98.3	Very high	93.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-86.7	166.7	164.5	0	0	0	0	0	111.8	T222 P247 N523	T222-G245 WeakPolarHBondContact O-CA 3.07Å; G245-P247 VanDerWaalsContact O-CD 3.24Å; G245-P247 WeakPolarHBondContact O-CD 3.19Å; G245-N523 PolarHBondContact N-OD1 3.17Å; G245-N523 PolarHBondContact O-ND2 3.42Å
246	V	98.6	Very high	94.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-67.2	117.1	178.2	-169.5	0	0	0	0	110.2	E221 T222 G248 L359 D363 F364 Y367	E221-V246 VanDerWaalsContact CA-O 3.22Å; E221-V246 WeakPolarHBondContact CA-O 3.11Å; E221-V246 WeakPolarHBondContact CB-O 3.45Å; E221-V246 WeakPolarHBondContact CG-O 3.16Å; T222-V246 PolarHBondContact O-N 2.95Å; V246-G248 PolarHBondContact O-N 3.28Å; V246-L359 HydrophobicContact CG2-CD1 3.75Å; V246-D363 HydrophobicContact CG2-CB 3.7Å; V246-F364 HydrophobicContact CG1-CD1 4.13Å; V246-F364 HydrophobicContact CG1-CE1 4.4Å; V246-F364 HydrophobicContact CG1-CG 4.36Å; V246-Y367 HydrophobicContact CB-CD2 3.91Å; V246-Y367 HydrophobicContact CG1-CD2 3.81Å; V246-Y367 HydrophobicContact CG1-CG 3.92Å
247	P	98.6	Very high	95.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-61.8	130.4	-177.2	-24.7	35.1	0	0	0	113.9	G200 G245 F339 Y340 M348 F364 L522	G200-P247 CarbonylContact O-C 3.58Å; G245-P247 VanDerWaalsContact O-CD 3.24Å; G245-P247 WeakPolarHBondContact O-CD 3.19Å; P247-F339 HydrophobicContact CB-CE1 4.12Å; P247-F339 HydrophobicContact CB-CZ 4.18Å; P247-Y340 VanDerWaalsContact O-CE1 3.29Å; P247-Y340 WeakPolarHBondContact O-CE1 3.42Å; P247-Y340 PolarHBondContact O-OH 2.97Å; P247-M348 HydrophobicContact CG-SD 4.24Å; P247-F364 HydrophobicContact CG-CE1 4.33Å; P247-L522 HydrophobicContact CG-CD2 4.49Å
248	G	98.5	Very high	96.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.			trans	-105.5	-17	-176.2	0	0	0	0	0	116	G200 F219 V246 L250 S251 G252 Y367	G200-G248 PolarHBondContact O-N 3.26Å; F219-G248 WeakPolarHBondContact O-CA 3.29Å; V246-G248 PolarHBondContact O-N 3.28Å; G248-L250 PolarHBondContact O-N 3.33Å; G248-S251 WeakPolarHBondContact O-CB 3.05Å; G248-S251 PolarHBondContact O-N 3.06Å; G248-S251 VanDerWaalsContact O-N 3.13Å; G248-G252 PolarHBondContact O-N 3.45Å; G248-Y367 WeakPolarHBondContact CA-OH 3.35Å
249	M	98.5	Very high	97.3	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-48.3	-55.3	-168.9	-175.6	65.5	-168.3	0	0	113.9	A185 L186 G200 F219 G252 M253	A185-M249 HydrophobicContact CB-CE 3.62Å; L186-M249 HydrophobicContact CD2-CE 4.22Å; G200-M249 PolarHBondContact O-N 3.17Å; F219-M249 HydrophobicContact CD2-SD 4.4Å; F219-M249 HydrophobicContact CE2-SD 3.7Å; F219-M249 HydrophobicContact CZ-SD 4.44Å; M249-G252 PolarHBondContact O-N 3.26Å; M249-M253 HydrophobicContact CE-CE 3.43Å; M249-M253 VanDerWaalsContact CE-CE 3.43Å; M249-M253 HydrophobicContact CE-CG 3.73Å; M249-M253 HydrophobicContact CE-SD 3.78Å; M249-M253 VanDerWaalsContact O-CG 3.28Å; M249-M253 WeakPolarHBondContact O-CG 3.39Å; M249-M253 PolarHBondContact O-N 2.9Å; M249-M253 HydrophobicContact SD-CE 3.84Å; M249-M253 HydrophobicContact SD-CG 4.44Å
250	L	98.4	Very high	97.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-70.1	-34.9	-176.5	-72.8	176.7	0	0	0	113.2	L186 I198 G248 G252 H254 V331 I336 F339 Y340	L186-L250 HydrophobicContact CD2-CD2 3.89Å; I198-L250 HydrophobicContact CB-CD1 4.39Å; I198-L250 HydrophobicContact CB-CG 4.3Å; I198-L250 HydrophobicContact CG2-CD1 4.44Å; I198-L250 HydrophobicContact CG2-CD2 4.12Å; I198-L250 HydrophobicContact CG2-CG 4.14Å; G248-L250 PolarHBondContact O-N 3.33Å; L250-G252 VanDerWaalsContact C-N 3.33Å; L250-H254 VanDerWaalsContact O-CB 3.25Å; L250-H254 WeakPolarHBondContact O-CB 3.08Å; L250-H254 PolarHBondContact O-N 2.95Å; L250-V331 HydrophobicContact CD1-CG1 4.32Å; L250-V331 HydrophobicContact CD1-CG2 4.07Å; L250-V331 HydrophobicContact CD2-CG1 4.38Å; L250-I336 HydrophobicContact CB-CG2 4.28Å; L250-F339 HydrophobicContact CD1-CB 3.91Å; L250-F339 HydrophobicContact CD1-CD1 4.21Å; L250-F339 HydrophobicContact CD1-CD2 3.47Å; L250-F339 VanDerWaalsContact CD1-CD2 3.47Å; L250-F339 HydrophobicContact CD1-CE2 3.95Å; L250-F339 HydrophobicContact CD1-CG 3.6Å; L250-Y340 HydrophobicContact CB-CE2 4.13Å
251	S	98.6	Very high	98	Very high	17 Å²	17	19 Å²	19	12%	0.119	10%	0.1	C	C	.	.	H	α-helix	trans	-59.9	-45.7	172.9	-176.5	0	0	0	0	110.7	G248 H254 Q255 Y340 T369	G248-S251 WeakPolarHBondContact O-CB 3.05Å; G248-S251 PolarHBondContact O-N 3.06Å; G248-S251 VanDerWaalsContact O-N 3.13Å; S251-H254 PolarHBondContact O-N 3.16Å; S251-Q255 VanDerWaalsContact O-CB 3.29Å; S251-Q255 WeakPolarHBondContact O-CB 3.44Å; S251-Q255 PolarHBondContact O-N 2.97Å; S251-Y340 WeakPolarHBondContact CB-OH 3.41Å; S251-Y340 PolarHBondContact N-OH 3.36Å; S251-Y340 VanDerWaalsContact N-OH 3.12Å; S251-T369 VanDerWaalsContact C-OG1 3.24Å; S251-T369 WeakPolarHBondContact CB-OG1 3.31Å; S251-T369 PolarHBondContact OG-OG1 3.43Å
252	G	98.5	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-49	179.2	0	0	0	0	0	113.4	F219 G248 M249 L250 H254 Q255 A256 T369	F219-G252 VanDerWaalsContact CB-CA 3.48Å; G248-G252 PolarHBondContact O-N 3.45Å; M249-G252 PolarHBondContact O-N 3.26Å; L250-G252 VanDerWaalsContact C-N 3.33Å; G252-H254 PolarHBondContact O-N 3.34Å; G252-Q255 PolarHBondContact O-N 3.26Å; G252-A256 WeakPolarHBondContact O-CB 3.3Å; G252-A256 PolarHBondContact O-N 3.11Å; G252-T369 WeakPolarHBondContact CA-OG1 3.33Å; G252-T369 PolarHBondContact N-OG1 3.44Å; G252-T369 VanDerWaalsContact N-OG1 3.16Å
253	M	98.7	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.3	-43.6	178.4	-65.1	-58.2	124.4	0	0	111.8	I182 A185 L186 M204 F219 M249 A256 H257 W265 V502	I182-M253 HydrophobicContact CB-SD 4.1Å; I182-M253 VanDerWaalsContact CD1-O 3.29Å; I182-M253 WeakPolarHBondContact CD1-O 3.48Å; I182-M253 HydrophobicContact CG1-CB 4.19Å; I182-M253 HydrophobicContact CG1-CG 4.5Å; I182-M253 HydrophobicContact CG1-SD 3.72Å; I182-M253 HydrophobicContact CG2-CB 3.91Å; I182-M253 HydrophobicContact CG2-CG 4.21Å; I182-M253 HydrophobicContact CG2-SD 4.15Å; A185-M253 HydrophobicContact CB-CE 4.39Å; A185-M253 HydrophobicContact CB-SD 4.21Å; L186-M253 HydrophobicContact CD2-CG 4.47Å; M204-M253 HydrophobicContact CE-CE 3.91Å; M204-M253 HydrophobicContact CE-SD 3.96Å; F219-M253 HydrophobicContact CE1-CE 3.85Å; F219-M253 HydrophobicContact CE2-CE 3.91Å; F219-M253 HydrophobicContact CZ-CE 3.43Å; F219-M253 VanDerWaalsContact CZ-CE 3.43Å; M249-M253 HydrophobicContact CE-CE 3.43Å; M249-M253 VanDerWaalsContact CE-CE 3.43Å; M249-M253 HydrophobicContact CE-CG 3.73Å; M249-M253 HydrophobicContact CE-SD 3.78Å; M249-M253 VanDerWaalsContact O-CG 3.28Å; M249-M253 WeakPolarHBondContact O-CG 3.39Å; M249-M253 PolarHBondContact O-N 2.9Å; M249-M253 HydrophobicContact SD-CE 3.84Å; M249-M253 HydrophobicContact SD-CG 4.44Å; M253-A256 PolarHBondContact O-N 3.41Å; M253-H257 WeakPolarHBondContact O-CB 3.37Å; M253-H257 PolarHBondContact O-N 2.96Å; M253-W265 HydrophobicContact CB-CH2 4.06Å; M253-W265 HydrophobicContact CB-CZ3 4.29Å; M253-V502 HydrophobicContact CE-CG1 4.18Å
254	H	98.6	Very high	98.3	Very high	40 Å²	40	30 Å²	30	19%	0.185	15%	0.152	C	C	.	.	H	α-helix	trans	-66.6	-41.3	177.3	-179.6	-98.8	0	0	0	111.7	L250 S251 G252 A256 H257 Q258 W265 I336	L250-H254 VanDerWaalsContact O-CB 3.25Å; L250-H254 WeakPolarHBondContact O-CB 3.08Å; L250-H254 PolarHBondContact O-N 2.95Å; S251-H254 PolarHBondContact O-N 3.16Å; G252-H254 PolarHBondContact O-N 3.34Å; H254-A256 VanDerWaalsContact C-N 3.31Å; H254-A256 PolarHBondContact O-N 3.06Å; H254-H257 WeakPolarHBondContact O-CB 3.36Å; H254-H257 PolarHBondContact O-N 3.16Å; H254-Q258 VanDerWaalsContact CE1-CD 3.42Å; H254-Q258 PolarHBondContact CE1-NE2 3.36Å; H254-Q258 WeakPolarHBondContact O-CG 3.24Å; H254-Q258 PolarHBondContact O-N 3.31Å; H254-W265 HydrophobicContact CB-CH2 3.86Å; H254-W265 HydrophobicContact CB-CZ2 4.22Å; H254-W265 HydrophobicContact CB-CZ3 4.11Å; H254-I336 HydrophobicContact CB-CD1 3.99Å; H254-I336 HydrophobicContact CB-CG2 3.67Å
255	Q	98.6	Very high	98.3	Very high	50 Å²	50	31.2 Å²	31.2	23%	0.234	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-39.5	176.4	-173.7	60.2	84.6	0	0	111.8	S251 G252 Q258 L259 T369 I371	S251-Q255 VanDerWaalsContact O-CB 3.29Å; S251-Q255 WeakPolarHBondContact O-CB 3.44Å; S251-Q255 PolarHBondContact O-N 2.97Å; G252-Q255 PolarHBondContact O-N 3.26Å; Q255-Q258 PolarHBondContact O-N 3.33Å; Q255-L259 WeakPolarHBondContact O-CG 3.26Å; Q255-L259 PolarHBondContact O-N 3Å; Q255-T369 HydrophobicContact CB-CG2 4.25Å; Q255-T369 HydrophobicContact CG-CG2 4.29Å; Q255-I371 HydrophobicContact CG-CD1 3.73Å; Q255-I371 HydrophobicContact CG-CG1 4.08Å
256	A	98.7	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-43.5	174.1	0	0	0	0	0	112.1	V178 I182 M204 I217 G252 M253 H254 Q258 L259 Y260	V178-A256 HydrophobicContact CG1-CB 3.79Å; I182-A256 HydrophobicContact CD1-CB 4.33Å; M204-A256 HydrophobicContact CE-CB 4.07Å; M204-A256 HydrophobicContact SD-CB 3.52Å; M204-A256 VanDerWaalsContact SD-CB 3.52Å; I217-A256 HydrophobicContact CD1-CB 3.53Å; G252-A256 WeakPolarHBondContact O-CB 3.3Å; G252-A256 PolarHBondContact O-N 3.11Å; M253-A256 PolarHBondContact O-N 3.41Å; H254-A256 VanDerWaalsContact C-N 3.31Å; H254-A256 PolarHBondContact O-N 3.06Å; A256-Q258 VanDerWaalsContact C-N 3.35Å; A256-Q258 PolarHBondContact O-N 2.96Å; A256-L259 PolarHBondContact O-N 3.32Å; A256-L259 VanDerWaalsContact O-N 3.16Å; A256-Y260 PolarHBondContact O-N 3.39Å
257	H	98.7	Very high	98.3	Very high	26 Å²	26	39.6 Å²	39.6	12%	0.12	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-42.9	175.3	-174.5	-91.8	0	0	0	112.1	D179 I182 M253 H254 L259 Y260 G261 I263 W265	D179-H257 IonicContact OD1-CD2 3.75Å; D179-H257 PolarHBondContact OD1-CD2 3.09Å; D179-H257 IonicContact OD1-NE2 2.85Å; D179-H257 PolarHBondContact OD1-NE2 2.87Å; I182-H257 HydrophobicContact CD1-CB 3.78Å; M253-H257 WeakPolarHBondContact O-CB 3.37Å; M253-H257 PolarHBondContact O-N 2.96Å; H254-H257 WeakPolarHBondContact O-CB 3.36Å; H254-H257 PolarHBondContact O-N 3.16Å; H257-L259 PolarHBondContact O-N 2.71Å; H257-Y260 PolarHBondContact O-N 3.48Å; H257-G261 WeakPolarHBondContact O-CA 3.34Å; H257-G261 PolarHBondContact O-N 2.95Å; H257-I263 PolarHBondContact CE1-O 3Å; H257-I263 PolarHBondContact NE2-O 3.08Å; H257-W265 HydrophobicContact CB-CE3 3.71Å; H257-W265 HydrophobicContact CB-CZ3 3.94Å; H257-W265 PolarHBondContact CE1-N 2.98Å; H257-W265 VanDerWaalsContact CE1-N 3.35Å; H257-W265 AromaticContact CG-CE3 3.64Å; H257-W265 PolarHBondContact NE2-N 3.2Å
258	Q	98.4	Very high	98.3	Very high	119 Å²	119	39.6 Å²	39.6	56%	0.556	20%	0.196	S	C	*	.	H	α-helix	trans	-62.8	-30.7	176.8	-73.4	-176.5	-40.6	0	0	113.2	H254 Q255 A256	H254-Q258 VanDerWaalsContact CE1-CD 3.42Å; H254-Q258 PolarHBondContact CE1-NE2 3.36Å; H254-Q258 WeakPolarHBondContact O-CG 3.24Å; H254-Q258 PolarHBondContact O-N 3.31Å; Q255-Q258 PolarHBondContact O-N 3.33Å; A256-Q258 VanDerWaalsContact C-N 3.35Å; A256-Q258 PolarHBondContact O-N 2.96Å
259	L	98	Very high	98.3	Very high	57 Å²	57	39.6 Å²	39.6	30%	0.298	20%	0.196	S	C	.	.	H	α-helix	trans	-84.9	-37.6	-178.9	-69.1	175	0	0	0	113.1	I217 Q255 A256 H257 I371	I217-L259 HydrophobicContact CD1-CD1 4.31Å; Q255-L259 WeakPolarHBondContact O-CG 3.26Å; Q255-L259 PolarHBondContact O-N 3Å; A256-L259 PolarHBondContact O-N 3.32Å; A256-L259 VanDerWaalsContact O-N 3.16Å; H257-L259 PolarHBondContact O-N 2.71Å; L259-I371 HydrophobicContact CD1-CD1 3.9Å; L259-I371 HydrophobicContact CD1-CG1 4.49Å
260	Y	98	Very high	98.3	Very high	30 Å²	30	40.7 Å²	40.7	12%	0.118	20%	0.204	C	C	.	.	H	α-helix	trans	-137.3	-1.6	-165.4	-54.5	-65.6	0	0	0	114.5	S176 V178 V206 R215 I217 A256 H257 H498	S176-Y260 WeakPolarHBondContact CB-O 3.37Å; S176-Y260 PolarHBondContact OG-O 3.46Å; V178-Y260 HydrophobicContact CG2-CD2 4Å; V178-Y260 HydrophobicContact CG2-CG 3.98Å; V206-Y260 HydrophobicContact CB-CD2 4.38Å; V206-Y260 HydrophobicContact CB-CE2 3.88Å; V206-Y260 HydrophobicContact CG1-CD1 4.49Å; V206-Y260 HydrophobicContact CG1-CD2 4.1Å; V206-Y260 HydrophobicContact CG1-CE1 4.32Å; V206-Y260 HydrophobicContact CG1-CE2 3.89Å; V206-Y260 HydrophobicContact CG1-CG 4.39Å; V206-Y260 HydrophobicContact CG2-CD2 4.15Å; V206-Y260 HydrophobicContact CG2-CE2 3.97Å; R215-Y260 VanDerWaalsContact CD-OH 3.25Å; R215-Y260 WeakPolarHBondContact CD-OH 3.22Å; R215-Y260 WeakPolarHBondContact CG-OH 3.4Å; I217-Y260 HydrophobicContact CD1-CE2 4.26Å; A256-Y260 PolarHBondContact O-N 3.39Å; H257-Y260 PolarHBondContact O-N 3.48Å; Y260-H498 AromaticContact CD1-NE2 3.83Å
261	G	97.5	Very high	98.3	Very high	31 Å²	31	41.4 Å²	41.4	32%	0.32	21%	0.207	S	C	.	.			trans	-68.5	145.9	-179.9	0	0	0	0	0	111.9	D179 H257	D179-G261 WeakPolarHBondContact OD1-CA 3.45Å; H257-G261 WeakPolarHBondContact O-CA 3.34Å; H257-G261 PolarHBondContact O-N 2.95Å
262	R	97.2	Very high	98.3	Very high	152 Å²	152	40.6 Å²	40.6	57%	0.574	20%	0.202	S	C	*	.			trans	-119.7	-39.5	-177.5	-178	168.9	174.9	-172.2	-0.7	112.5	Q174 D179	Q174-R262 WeakPolarHBondContact O-CD 3.37Å; Q174-R262 PolarHBondContact O-NE 2.91Å; D179-R262 PolarHBondContact OD1-N 2.81Å; D179-R262 WeakPolarHBondContact OD2-CA 3.4Å; D179-R262 WeakPolarHBondContact OD2-CB 3.42Å; D179-R262 PolarHBondContact OD2-N 2.98Å
263	I	97.5	Very high	98.3	Very high	28 Å²	28	40.6 Å²	40.6	14%	0.144	20%	0.202	C	C	.	.	S	Bend	trans	-94.9	158.1	172.8	57.5	164	0	0	0	110.9	V170 D179 H257 W265 V268 M271	V170-I263 HydrophobicContact CG1-CD1 4.14Å; D179-I263 HydrophobicContact CB-CG1 4.18Å; D179-I263 WeakPolarHBondContact OD2-CG1 3.28Å; D179-I263 PolarHBondContact OD2-N 2.77Å; H257-I263 PolarHBondContact CE1-O 3Å; H257-I263 PolarHBondContact NE2-O 3.08Å; I263-W265 PolarHBondContact O-N 3.47Å; I263-V268 HydrophobicContact CD1-CG2 3.7Å; I263-V268 HydrophobicContact CG1-CG2 3.6Å; I263-M271 HydrophobicContact CD1-CE 3.56Å
264	P	98.2	Very high	98.3	Very high	77 Å²	77	43.6 Å²	43.6	50%	0.5	22%	0.218	S	C	.	.			trans	-54.2	138.9	-179.3	-26.7	35.1	0	0	0	113	K266 D267 V268	P264-K266 PolarHBondContact O-N 2.85Å; P264-D267 WeakPolarHBondContact CD-OD2 3.47Å; P264-D267 WeakPolarHBondContact CG-OD2 3.29Å; P264-D267 WeakPolarHBondContact O-CB 3.35Å; P264-D267 PolarHBondContact O-N 3Å; P264-V268 PolarHBondContact O-N 2.92Å
265	W	98.3	Very high	98.3	Very high	25 Å²	25	42.3 Å²	42.3	10%	0.095	21%	0.213	C	C	.	.	H	α-helix	trans	-50.1	-44.4	177.6	169.2	-103.1	0	0	0	112.1	I182 M253 H254 H257 I263 D267 V268 V269 V331 I336	I182-W265 HydrophobicContact CG2-CZ3 4.25Å; M253-W265 HydrophobicContact CB-CH2 4.06Å; M253-W265 HydrophobicContact CB-CZ3 4.29Å; H254-W265 HydrophobicContact CB-CH2 3.86Å; H254-W265 HydrophobicContact CB-CZ2 4.22Å; H254-W265 HydrophobicContact CB-CZ3 4.11Å; H257-W265 HydrophobicContact CB-CE3 3.71Å; H257-W265 HydrophobicContact CB-CZ3 3.94Å; H257-W265 PolarHBondContact CE1-N 2.98Å; H257-W265 VanDerWaalsContact CE1-N 3.35Å; H257-W265 AromaticContact CG-CE3 3.64Å; H257-W265 PolarHBondContact NE2-N 3.2Å; I263-W265 PolarHBondContact O-N 3.47Å; W265-D267 VanDerWaalsContact C-N 3.28Å; W265-D267 PolarHBondContact O-N 2.9Å; W265-V268 PolarHBondContact O-N 3.28Å; W265-V269 HydrophobicContact CD2-CG2 3.77Å; W265-V269 HydrophobicContact CE3-CG2 4.13Å; W265-V269 HydrophobicContact CG-CG2 4.4Å; W265-V269 HydrophobicContact CH2-CG2 3.85Å; W265-V269 HydrophobicContact CZ2-CG2 3.44Å; W265-V269 VanDerWaalsContact CZ2-CG2 3.44Å; W265-V269 HydrophobicContact CZ3-CG2 4.17Å; W265-V269 WeakPolarHBondContact O-CG2 3.34Å; W265-V269 PolarHBondContact O-N 3.48Å; W265-V331 HydrophobicContact CZ2-CG1 4.07Å; W265-V331 PolarHBondContact NE1-O 2.99Å; W265-I336 HydrophobicContact CZ2-CG2 3.86Å
266	K	98.4	Very high	98.2	Very high	100 Å²	100	39.9 Å²	39.9	44%	0.435	20%	0.202	S	C	.	.	H	α-helix	trans	-53	-46.6	176.9	176.4	168.9	172.5	159.2	0	111.7	P264 V269 S270 A332 D333	P264-K266 PolarHBondContact O-N 2.85Å; K266-V269 PolarHBondContact O-N 2.95Å; K266-S270 WeakPolarHBondContact O-CB 3.11Å; K266-S270 PolarHBondContact O-N 2.86Å; K266-S270 PolarHBondContact O-OG 3.43Å; K266-S270 VanDerWaalsContact O-OG 3.04Å; K266-A332 WeakPolarHBondContact CB-O 3.33Å; K266-A332 HydrophobicContact CG-CB 4.14Å; K266-D333 WeakPolarHBondContact CE-OD1 3.37Å; K266-D333 IonicContact NZ-OD1 3.94Å; K266-D333 PolarHBondContact NZ-OD1 3.23Å
267	D	98.4	Very high	98.2	Very high	78 Å²	78	43.5 Å²	43.5	42%	0.417	22%	0.215	S	C	.	.	H	α-helix	trans	-67.6	-41.1	-177.2	-60.7	-18.5	0	0	0	111.1	P264 W265 M271	P264-D267 WeakPolarHBondContact CD-OD2 3.47Å; P264-D267 WeakPolarHBondContact CG-OD2 3.29Å; P264-D267 WeakPolarHBondContact O-CB 3.35Å; P264-D267 PolarHBondContact O-N 3Å; W265-D267 VanDerWaalsContact C-N 3.28Å; W265-D267 PolarHBondContact O-N 2.9Å; D267-M271 WeakPolarHBondContact O-CB 3.45Å; D267-M271 VanDerWaalsContact O-CE 3.31Å; D267-M271 WeakPolarHBondContact O-CE 3.39Å; D267-M271 VanDerWaalsContact O-CG 3.28Å; D267-M271 WeakPolarHBondContact O-CG 3.42Å; D267-M271 PolarHBondContact O-N 3.01Å
268	V	98.4	Very high	98.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.8	-49.6	176.4	-177.5	0	0	0	0	111.1	D179 I182 A183 I263 P264 W265 A272	D179-V268 HydrophobicContact CB-CG2 4.06Å; I182-V268 HydrophobicContact CB-CG1 4.06Å; I182-V268 HydrophobicContact CG2-CG1 3.71Å; A183-V268 HydrophobicContact CB-CG1 4.08Å; I263-V268 HydrophobicContact CD1-CG2 3.7Å; I263-V268 HydrophobicContact CG1-CG2 3.6Å; P264-V268 PolarHBondContact O-N 2.92Å; W265-V268 PolarHBondContact O-N 3.28Å; V268-A272 PolarHBondContact O-N 3.41Å
269	V	98.6	Very high	98.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-72.6	-40.1	-176.8	-179.9	0	0	0	0	111.5	L186 W265 K266 M271 A272 A273 L328 A332	L186-V269 HydrophobicContact CD1-CG2 4.15Å; W265-V269 HydrophobicContact CD2-CG2 3.77Å; W265-V269 HydrophobicContact CE3-CG2 4.13Å; W265-V269 HydrophobicContact CG-CG2 4.4Å; W265-V269 HydrophobicContact CH2-CG2 3.85Å; W265-V269 HydrophobicContact CZ2-CG2 3.44Å; W265-V269 VanDerWaalsContact CZ2-CG2 3.44Å; W265-V269 HydrophobicContact CZ3-CG2 4.17Å; W265-V269 WeakPolarHBondContact O-CG2 3.34Å; W265-V269 PolarHBondContact O-N 3.48Å; K266-V269 PolarHBondContact O-N 2.95Å; V269-M271 VanDerWaalsContact C-N 3.3Å; V269-M271 PolarHBondContact O-N 3.41Å; V269-A272 WeakPolarHBondContact O-CB 3.42Å; V269-A272 PolarHBondContact O-N 3.2Å; V269-A272 VanDerWaalsContact O-N 3.08Å; V269-A273 PolarHBondContact O-N 3.33Å; V269-L328 HydrophobicContact CG1-CB 4.02Å; V269-L328 HydrophobicContact CG1-CD2 4.1Å; V269-L328 VanDerWaalsContact CG1-O 3.22Å; V269-L328 WeakPolarHBondContact CG1-O 3.35Å; V269-A332 HydrophobicContact CB-CB 3.88Å; V269-A332 HydrophobicContact CG1-CB 3.91Å
270	S	98.3	Very high	98.1	Very high	25 Å²	25	39.4 Å²	39.4	18%	0.175	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-37	176.2	-71.2	0	0	0	0	112	K266 A272 A273 D274	K266-S270 WeakPolarHBondContact O-CB 3.11Å; K266-S270 PolarHBondContact O-N 2.86Å; K266-S270 PolarHBondContact O-OG 3.43Å; K266-S270 VanDerWaalsContact O-OG 3.04Å; S270-A272 VanDerWaalsContact C-N 3.29Å; S270-A272 PolarHBondContact O-N 3.09Å; S270-A273 WeakPolarHBondContact O-CB 3.45Å; S270-A273 PolarHBondContact O-N 3.25Å; S270-A273 VanDerWaalsContact O-N 3.12Å; S270-D274 VanDerWaalsContact O-CG 3.23Å; S270-D274 PolarHBondContact O-N 2.77Å
271	M	98.3	Very high	98.1	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.069	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-36.5	173.2	-78.2	-173.5	-69.6	0	0	112.5	L166 V170 K173 I263 D267 V269	L166-M271 HydrophobicContact CD1-CB 4.12Å; V170-M271 HydrophobicContact CB-CE 4.49Å; V170-M271 HydrophobicContact CG1-CE 4.48Å; V170-M271 HydrophobicContact CG2-CE 3.61Å; V170-M271 HydrophobicContact CG2-SD 4.01Å; K173-M271 HydrophobicContact CD-SD 3.86Å; K173-M271 PolarHBondContact NZ-SD 3.26Å; K173-M271 VanDerWaalsContact NZ-SD 3.35Å; I263-M271 HydrophobicContact CD1-CE 3.56Å; D267-M271 WeakPolarHBondContact O-CB 3.45Å; D267-M271 VanDerWaalsContact O-CE 3.31Å; D267-M271 WeakPolarHBondContact O-CE 3.39Å; D267-M271 VanDerWaalsContact O-CG 3.28Å; D267-M271 WeakPolarHBondContact O-CG 3.42Å; D267-M271 PolarHBondContact O-N 3.01Å; V269-M271 VanDerWaalsContact C-N 3.3Å; V269-M271 PolarHBondContact O-N 3.41Å
272	A	98.3	Very high	98.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-71.5	-40.1	171.4	0	0	0	0	0	111.9	L166 L186 I190 V268 V269 S270 D274 V275 A276 L328	L166-A272 HydrophobicContact CD2-CB 4.44Å; L186-A272 HydrophobicContact CB-CB 3.66Å; L186-A272 HydrophobicContact CD1-CB 4.31Å; I190-A272 WeakPolarHBondContact CD1-O 3.46Å; V268-A272 PolarHBondContact O-N 3.41Å; V269-A272 WeakPolarHBondContact O-CB 3.42Å; V269-A272 PolarHBondContact O-N 3.2Å; V269-A272 VanDerWaalsContact O-N 3.08Å; S270-A272 VanDerWaalsContact C-N 3.29Å; S270-A272 PolarHBondContact O-N 3.09Å; A272-D274 PolarHBondContact O-N 3.5Å; A272-V275 WeakPolarHBondContact O-CB 3.42Å; A272-V275 PolarHBondContact O-N 2.83Å; A272-V275 VanDerWaalsContact O-N 3.08Å; A272-A276 PolarHBondContact O-N 2.89Å; A272-L328 HydrophobicContact CB-CD1 4.4Å
273	A	98.6	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-37.1	175.5	0	0	0	0	0	112.1	V269 S270 V275 A276 R277 L328 D329	V269-A273 PolarHBondContact O-N 3.33Å; S270-A273 WeakPolarHBondContact O-CB 3.45Å; S270-A273 PolarHBondContact O-N 3.25Å; S270-A273 VanDerWaalsContact O-N 3.12Å; A273-V275 VanDerWaalsContact C-N 3.27Å; A273-V275 PolarHBondContact O-N 3.28Å; A273-A276 WeakPolarHBondContact O-CB 3.45Å; A273-A276 PolarHBondContact O-N 3.23Å; A273-A276 VanDerWaalsContact O-N 3.1Å; A273-R277 WeakPolarHBondContact O-CB 3.45Å; A273-R277 PolarHBondContact O-N 2.81Å; A273-L328 HydrophobicContact CB-CB 3.66Å; A273-L328 HydrophobicContact CB-CD1 4.44Å; A273-D329 WeakPolarHBondContact CB-OD1 3.46Å
274	D	98.6	Very high	97.9	Very high	64 Å²	64	37.6 Å²	37.6	34%	0.342	19%	0.194	S	C	.	.	H	α-helix	trans	-59.3	-36.1	175.5	-70.2	-12.4	0	0	0	112.1	S270 A272 R277 N278	S270-D274 VanDerWaalsContact O-CG 3.23Å; S270-D274 PolarHBondContact O-N 2.77Å; A272-D274 PolarHBondContact O-N 3.5Å; D274-R277 PolarHBondContact O-N 2.86Å; D274-R277 IonicContact OD1-CZ 2.67Å; D274-R277 IonicContact OD1-NH1 3.33Å; D274-R277 PolarHBondContact OD1-NH1 2.91Å; D274-R277 IonicContact OD1-NH2 2.67Å; D274-N278 WeakPolarHBondContact O-CB 3.24Å; D274-N278 PolarHBondContact O-N 3.13Å; D274-N278 PolarHBondContact O-ND2 3.23Å; D274-N278 VanDerWaalsContact O-ND2 3.11Å
275	V	98.5	Very high	97.7	Very high	12 Å²	12	36.2 Å²	36.2	7%	0.073	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-44.7	174.5	175.7	0	0	0	0	110.8	L166 I190 V191 A272 A273 G279	L166-V275 HydrophobicContact CD1-CG2 4.42Å; L166-V275 HydrophobicContact CD2-CG2 3.97Å; I190-V275 HydrophobicContact CD1-CB 4.29Å; I190-V275 HydrophobicContact CG2-CG1 4.24Å; V191-V275 HydrophobicContact CG1-CG1 3.77Å; A272-V275 WeakPolarHBondContact O-CB 3.42Å; A272-V275 PolarHBondContact O-N 2.83Å; A272-V275 VanDerWaalsContact O-N 3.08Å; A273-V275 VanDerWaalsContact C-N 3.27Å; A273-V275 PolarHBondContact O-N 3.28Å; V275-G279 WeakPolarHBondContact O-CA 3.14Å; V275-G279 PolarHBondContact O-N 2.88Å
276	A	98.3	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.1	-40	178.4	0	0	0	0	0	112.4	I190 A272 A273 R321 L324 A325	I190-A276 HydrophobicContact CD1-CB 3.77Å; I190-A276 HydrophobicContact CG1-CB 4.02Å; I190-A276 HydrophobicContact CG2-CB 3.86Å; A272-A276 PolarHBondContact O-N 2.89Å; A273-A276 WeakPolarHBondContact O-CB 3.45Å; A273-A276 PolarHBondContact O-N 3.23Å; A273-A276 VanDerWaalsContact O-N 3.1Å; A276-R321 HydrophobicContact CB-CB 4.06Å; A276-R321 WeakPolarHBondContact CB-O 3.18Å; A276-R321 CarbonylContact O-C 3.56Å; A276-R321 PolarHBondContact O-N 3.49Å; A276-L324 HydrophobicContact CB-CB 4.41Å; A276-A325 HydrophobicContact CB-CB 3.9Å
277	R	98.4	Very high	97.5	Very high	75 Å²	75	31.2 Å²	31.2	28%	0.283	16%	0.164	S	C	.	.	H	α-helix	trans	-73	-47.3	-178.8	-161	-179.2	-49.7	95	3.5	112.6	A273 D274 R320 L322 A325 D329	A273-R277 WeakPolarHBondContact O-CB 3.45Å; A273-R277 PolarHBondContact O-N 2.81Å; D274-R277 PolarHBondContact O-N 2.86Å; D274-R277 IonicContact OD1-CZ 2.67Å; D274-R277 IonicContact OD1-NH1 3.33Å; D274-R277 PolarHBondContact OD1-NH1 2.91Å; D274-R277 IonicContact OD1-NH2 2.67Å; R277-R320 WeakPolarHBondContact O-CD 3.07Å; R277-L322 HydrophobicContact CG-CD2 4.24Å; R277-A325 HydrophobicContact CB-CB 3.85Å; R277-A325 HydrophobicContact CG-CB 4.41Å; R277-D329 IonicContact CZ-OD2 2.78Å; R277-D329 IonicContact NE-OD2 3.81Å; R277-D329 IonicContact NH2-OD1 3.65Å; R277-D329 PolarHBondContact NH2-OD1 2.9Å; R277-D329 IonicContact NH2-OD2 3.59Å; R277-D329 PolarHBondContact NH2-OD2 2.71Å
278	N	98.2	Very high	97.3	Very high	103 Å²	103	31.1 Å²	31.1	55%	0.551	16%	0.161	S	C	*	.	H	α-helix	trans	-71.9	-38	-178.4	-65.5	-27.4	0	0	0	110.3	D274 F318 R320	D274-N278 WeakPolarHBondContact O-CB 3.24Å; D274-N278 PolarHBondContact O-N 3.13Å; D274-N278 PolarHBondContact O-ND2 3.23Å; D274-N278 VanDerWaalsContact O-ND2 3.11Å; N278-F318 WeakPolarHBondContact O-CZ 3.46Å; N278-R320 PolarHBondContact O-NE 2.88Å
279	G	97.1	Very high	97.1	Very high	6 Å²	6	31.6 Å²	31.6	6%	0.062	17%	0.165	C	C	.	.			trans	104.3	173.1	178.8	0	0	0	0	0	113.4	Q162 V275 T319	Q162-G279 PolarHBondContact NE2-O 2.94Å; V275-G279 WeakPolarHBondContact O-CA 3.14Å; V275-G279 PolarHBondContact O-N 2.88Å; G279-T319 CarbonylContact C-O 3.51Å; G279-T319 WeakPolarHBondContact CA-O 3.22Å
280	F	97.3	Very high	96.9	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.035	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	160.5	-178.2	62.5	-84.1	0	0	0	110.8	I190 V191 L286 T319 R321	I190-F280 HydrophobicContact CG2-CD1 4.04Å; I190-F280 HydrophobicContact CG2-CE1 3.77Å; I190-F280 VanDerWaalsContact O-CZ 3.27Å; I190-F280 WeakPolarHBondContact O-CZ 3.23Å; V191-F280 HydrophobicContact CB-CD2 3.88Å; V191-F280 HydrophobicContact CB-CE2 4.11Å; V191-F280 HydrophobicContact CB-CG 4.14Å; V191-F280 HydrophobicContact CG1-CB 3.89Å; V191-F280 HydrophobicContact CG1-CD1 3.92Å; V191-F280 HydrophobicContact CG1-CD2 3.95Å; V191-F280 HydrophobicContact CG1-CE1 4.41Å; V191-F280 HydrophobicContact CG1-CE2 4.45Å; V191-F280 HydrophobicContact CG1-CG 3.67Å; F280-L286 HydrophobicContact CE2-CD2 3.93Å; F280-L286 HydrophobicContact CZ-CD2 4.45Å; F280-T319 HydrophobicContact CD1-CG2 4.29Å; F280-T319 HydrophobicContact CD2-CG2 4.22Å; F280-T319 HydrophobicContact CE1-CG2 3.85Å; F280-T319 HydrophobicContact CE2-CG2 3.76Å; F280-T319 HydrophobicContact CG-CG2 4.46Å; F280-T319 HydrophobicContact CZ-CG2 3.56Å; F280-T319 PolarHBondContact N-O 2.76Å; F280-T319 PolarHBondContact O-N 3.26Å; F280-R321 HydrophobicContact CE1-CG 4.06Å
281	N	97.3	Very high	96.7	Very high	94 Å²	94	34.1 Å²	34.1	50%	0.503	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.4	170.3	-68.5	-19.7	0	0	0	108.8	T283	N281-T283 PolarHBondContact O-N 2.98Å
282	V	97.1	Very high	96.5	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.024	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-55.7	124.4	175.2	171.1	0	0	0	0	109	L286 A287 P313 G316 Q317 T319	V282-L286 HydrophobicContact CG1-CB 4.19Å; V282-L286 HydrophobicContact CG1-CD2 4.08Å; V282-L286 HydrophobicContact CG1-CG 4.09Å; V282-L286 HydrophobicContact CG2-CD2 4.38Å; V282-A287 HydrophobicContact CG1-CB 3.94Å; V282-P313 HydrophobicContact CG1-CB 4.3Å; V282-P313 HydrophobicContact CG1-CG 4.11Å; V282-P313 HydrophobicContact CG2-CB 4.05Å; V282-P313 HydrophobicContact CG2-CG 4.24Å; V282-G316 PolarHBondContact O-N 3.4Å; V282-Q317 WeakPolarHBondContact CB-O 3.49Å; V282-Q317 WeakPolarHBondContact CG2-O 3.3Å; V282-Q317 PolarHBondContact N-O 3.17Å; V282-T319 HydrophobicContact CG2-CG2 3.74Å
283	T	96.7	Very high	96.1	Very high	13 Å²	13	40.1 Å²	40.1	8%	0.08	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-75.6	168.4	-177.6	84.5	0	0	0	0	111.4	V160 N281 D285 L286 A287 D668	V160-T283 HydrophobicContact CG1-CG2 3.93Å; V160-T283 HydrophobicContact CG2-CG2 4.31Å; N281-T283 PolarHBondContact O-N 2.98Å; T283-D285 VanDerWaalsContact C-N 3.34Å; T283-D285 PolarHBondContact OG1-N 2.88Å; T283-L286 PolarHBondContact OG1-N 3.18Å; T283-A287 PolarHBondContact O-N 2.79Å; T283-A287 VanDerWaalsContact O-N 3.1Å; T283-D668 VanDerWaalsContact CB-CG 3.43Å; T283-D668 WeakPolarHBondContact CB-OD2 3.25Å; T283-D668 PolarHBondContact OG1-OD2 2.98Å
284	H	95.2	Very high	95.5	Very high	92 Å²	92	43.8 Å²	43.8	43%	0.426	22%	0.218	S	C	.	.	H	α-helix	trans	-59.8	-48.2	176.5	179	-85.2	0	0	0	111	L286 A287 E288 D668	H284-L286 VanDerWaalsContact C-N 3.35Å; H284-L286 PolarHBondContact O-N 2.76Å; H284-A287 PolarHBondContact O-N 2.96Å; H284-E288 IonicContact CE1-OE2 3.61Å; H284-E288 PolarHBondContact O-N 3.4Å; H284-D668 PolarHBondContact N-OD1 2.87Å; H284-D668 PolarHBondContact N-OD2 3.2Å
285	D	94	Very high	94.9	Very high	47 Å²	47	47.8 Å²	47.8	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-66.8	-38.1	-175.7	-63.9	-13.3	0	0	0	111.7	T283 E288 A289 D668	T283-D285 VanDerWaalsContact C-N 3.34Å; T283-D285 PolarHBondContact OG1-N 2.88Å; D285-E288 PolarHBondContact O-N 3.44Å; D285-A289 VanDerWaalsContact O-CB 3.24Å; D285-A289 WeakPolarHBondContact O-CB 3.47Å; D285-A289 PolarHBondContact O-N 3.19Å; D285-D668 WeakPolarHBondContact CB-OD2 3.38Å; D285-D668 VanDerWaalsContact CG-OD2 3.29Å; D285-D668 PolarHBondContact N-OD2 2.95Å
286	L	95.9	Very high	94.2	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-45.8	174.9	179.2	58.9	0	0	0	111.8	P193 H194 F280 V282 T283 H284 E288 A289 V290 F510	P193-L286 HydrophobicContact CG-CD1 3.82Å; P193-L286 HydrophobicContact CG-CD2 4.39Å; H194-L286 HydrophobicContact CB-CD1 4.49Å; F280-L286 HydrophobicContact CE2-CD2 3.93Å; F280-L286 HydrophobicContact CZ-CD2 4.45Å; V282-L286 HydrophobicContact CG1-CB 4.19Å; V282-L286 HydrophobicContact CG1-CD2 4.08Å; V282-L286 HydrophobicContact CG1-CG 4.09Å; V282-L286 HydrophobicContact CG2-CD2 4.38Å; T283-L286 PolarHBondContact OG1-N 3.18Å; H284-L286 VanDerWaalsContact C-N 3.35Å; H284-L286 PolarHBondContact O-N 2.76Å; L286-E288 VanDerWaalsContact C-N 3.3Å; L286-E288 PolarHBondContact O-N 3.18Å; L286-A289 PolarHBondContact O-N 2.85Å; L286-V290 HydrophobicContact CD1-CG2 4.03Å; L286-V290 HydrophobicContact CG-CG2 4.48Å; L286-V290 WeakPolarHBondContact O-CG2 3.41Å; L286-V290 PolarHBondContact O-N 2.93Å; L286-F510 HydrophobicContact CD1-CE1 4.17Å; L286-F510 HydrophobicContact CD1-CZ 4.08Å
287	A	95.9	Very high	93.4	Very high	14 Å²	14	58.5 Å²	58.5	12%	0.116	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-43.2	178.2	0	0	0	0	0	111.3	V282 T283 H284 N291 P313	V282-A287 HydrophobicContact CG1-CB 3.94Å; T283-A287 PolarHBondContact O-N 2.79Å; T283-A287 VanDerWaalsContact O-N 3.1Å; H284-A287 PolarHBondContact O-N 2.96Å; A287-N291 WeakPolarHBondContact O-CB 3.36Å; A287-N291 PolarHBondContact O-N 3.36Å; A287-P313 WeakPolarHBondContact CB-O 3.43Å
288	E	94.4	Very high	92.8	Very high	77 Å²	77	55.9 Å²	55.9	36%	0.36	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-45.5	176.8	-168	-174.3	153.8	0	0	111.9	H284 D285 L286 V290 N291 K292	H284-E288 IonicContact CE1-OE2 3.61Å; H284-E288 PolarHBondContact O-N 3.4Å; D285-E288 PolarHBondContact O-N 3.44Å; L286-E288 VanDerWaalsContact C-N 3.3Å; L286-E288 PolarHBondContact O-N 3.18Å; E288-V290 PolarHBondContact O-N 3.42Å; E288-N291 PolarHBondContact O-N 2.89Å; E288-K292 HydrophobicContact CG-CD 4.38Å; E288-K292 WeakPolarHBondContact O-CG 3.48Å; E288-K292 PolarHBondContact O-N 3.22Å; E288-K292 WeakPolarHBondContact OE1-CE 3.35Å; E288-K292 IonicContact OE1-NZ 3.91Å; E288-K292 PolarHBondContact OE1-NZ 2.97Å
289	A	94.4	Very high	92.2	Very high	10 Å²	10	51.3 Å²	51.3	8%	0.083	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-45.9	178.9	0	0	0	0	0	111.6	H194 D285 L286 N291 K292 V293 F510	H194-A289 HydrophobicContact CB-CB 3.72Å; D285-A289 VanDerWaalsContact O-CB 3.24Å; D285-A289 WeakPolarHBondContact O-CB 3.47Å; D285-A289 PolarHBondContact O-N 3.19Å; L286-A289 PolarHBondContact O-N 2.85Å; A289-N291 VanDerWaalsContact C-N 3.34Å; A289-N291 PolarHBondContact O-N 3.4Å; A289-K292 PolarHBondContact O-N 2.92Å; A289-V293 PolarHBondContact O-N 2.76Å; A289-F510 HydrophobicContact CB-CE2 3.78Å; A289-F510 HydrophobicContact CB-CZ 4.05Å
290	V	95.2	Very high	91.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-43.5	175.9	178.1	0	0	0	0	110.5	L286 E288 K292 V293 K294 F306 L307 A312 F510	L286-V290 HydrophobicContact CD1-CG2 4.03Å; L286-V290 HydrophobicContact CG-CG2 4.48Å; L286-V290 WeakPolarHBondContact O-CG2 3.41Å; L286-V290 PolarHBondContact O-N 2.93Å; E288-V290 PolarHBondContact O-N 3.42Å; V290-K292 VanDerWaalsContact C-N 3.28Å; V290-K292 PolarHBondContact O-N 2.76Å; V290-V293 WeakPolarHBondContact O-CG2 3.32Å; V290-V293 PolarHBondContact O-N 2.96Å; V290-V293 VanDerWaalsContact O-N 3.08Å; V290-K294 PolarHBondContact O-N 3.43Å; V290-F306 HydrophobicContact CG1-CB 4.43Å; V290-F306 WeakPolarHBondContact CG1-O 3.22Å; V290-F306 HydrophobicContact CG2-CB 4.41Å; V290-L307 HydrophobicContact CG1-CD2 3.45Å; V290-L307 VanDerWaalsContact CG1-CD2 3.45Å; V290-L307 HydrophobicContact CG1-CG 4.34Å; V290-A312 HydrophobicContact CB-CB 4.33Å; V290-A312 HydrophobicContact CG1-CB 3.78Å; V290-F510 HydrophobicContact CB-CZ 4.46Å; V290-F510 HydrophobicContact CG2-CE1 4.28Å; V290-F510 HydrophobicContact CG2-CE2 4.47Å; V290-F510 HydrophobicContact CG2-CZ 3.59Å
291	N	94.1	Very high	91.7	Very high	78 Å²	78	60.3 Å²	60.3	42%	0.417	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-34.6	179	-176	58.9	0	0	0	112.7	A287 E288 A289 V293 K294 A312	A287-N291 WeakPolarHBondContact O-CB 3.36Å; A287-N291 PolarHBondContact O-N 3.36Å; E288-N291 PolarHBondContact O-N 2.89Å; A289-N291 VanDerWaalsContact C-N 3.34Å; A289-N291 PolarHBondContact O-N 3.4Å; N291-V293 VanDerWaalsContact C-N 3.31Å; N291-V293 PolarHBondContact O-N 3.29Å; N291-K294 WeakPolarHBondContact O-CG 3.4Å; N291-K294 WeakPolarHBondContact OD1-CD 3.26Å; N291-K294 VanDerWaalsContact OD1-CE 3.28Å; N291-K294 WeakPolarHBondContact OD1-CE 3.11Å; N291-K294 PolarHBondContact OD1-NZ 3.48Å; N291-A312 HydrophobicContact CB-CB 4.17Å
292	K	92.4	Very high	91.5	Very high	134 Å²	134	55.8 Å²	55.8	58%	0.583	28%	0.28	S	S	*	.	H	α-helix	trans	-67.9	-25.6	175	-77.6	169.5	168.2	166.1	0	113.6	E288 A289 V290	E288-K292 HydrophobicContact CG-CD 4.38Å; E288-K292 WeakPolarHBondContact O-CG 3.48Å; E288-K292 PolarHBondContact O-N 3.22Å; E288-K292 WeakPolarHBondContact OE1-CE 3.35Å; E288-K292 IonicContact OE1-NZ 3.91Å; E288-K292 PolarHBondContact OE1-NZ 2.97Å; A289-K292 PolarHBondContact O-N 2.92Å; V290-K292 VanDerWaalsContact C-N 3.28Å; V290-K292 PolarHBondContact O-N 2.76Å
293	V	90.1	Very high	91.3	Very high	6 Å²	6	61.3 Å²	61.3	4%	0.036	30%	0.3	C	S	.	.	H	α-helix	trans	-104.9	-10.5	-178.2	-58.5	0	0	0	0	114.3	A289 V290 N291 N295 K296 F302 F510	A289-V293 PolarHBondContact O-N 2.76Å; V290-V293 WeakPolarHBondContact O-CG2 3.32Å; V290-V293 PolarHBondContact O-N 2.96Å; V290-V293 VanDerWaalsContact O-N 3.08Å; N291-V293 VanDerWaalsContact C-N 3.31Å; N291-V293 PolarHBondContact O-N 3.29Å; V293-N295 PolarHBondContact O-N 3.39Å; V293-K296 HydrophobicContact CG1-CD 4.46Å; V293-K296 WeakPolarHBondContact O-CB 3.48Å; V293-K296 PolarHBondContact O-N 2.97Å; V293-F302 HydrophobicContact CG2-CE1 4.01Å; V293-F302 HydrophobicContact CG2-CZ 3.83Å; V293-F510 HydrophobicContact CG1-CD2 4.13Å; V293-F510 HydrophobicContact CG1-CE2 4.39Å; V293-F510 HydrophobicContact CG2-CD2 3.99Å; V293-F510 HydrophobicContact CG2-CE2 3.81Å
294	K	86.4	Confident	91.1	Very high	76 Å²	76	67.1 Å²	67.1	33%	0.33	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.6	-174.5	77.9	-174.2	179.6	-174.6	0	115.7	V290 N291 L307	V290-K294 PolarHBondContact O-N 3.43Å; N291-K294 WeakPolarHBondContact O-CG 3.4Å; N291-K294 WeakPolarHBondContact OD1-CD 3.26Å; N291-K294 VanDerWaalsContact OD1-CE 3.28Å; N291-K294 WeakPolarHBondContact OD1-CE 3.11Å; N291-K294 PolarHBondContact OD1-NZ 3.48Å; K294-L307 HydrophobicContact CB-CD1 4.33Å; K294-L307 HydrophobicContact CB-CD2 3.81Å
295	N	85.3	Confident	91	Very high	148 Å²	148	64.8 Å²	64.8	79%	0.791	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	2.5	-178.7	-66	-28.2	0	0	0	113.2	V293	V293-N295 PolarHBondContact O-N 3.39Å
296	K	85	Confident	90.9	Very high	107 Å²	107	63.3 Å²	63.3	47%	0.465	31%	0.313	S	S	.	.	S	Bend	trans	-86.9	163.3	178.7	-62.1	-168.1	179.6	-173.3	0	110.3	V293 V298	V293-K296 HydrophobicContact CG1-CD 4.46Å; V293-K296 WeakPolarHBondContact O-CB 3.48Å; V293-K296 PolarHBondContact O-N 2.97Å; K296-V298 PolarHBondContact O-N 3.46Å
297	N	80.3	Confident	90.8	Very high	131 Å²	131	63.3 Å²	63.3	70%	0.701	31%	0.313	S	S	*	.			trans	-66.2	115.3	169	-164.6	23.8	0	0	0	108.6
298	V	85.8	Confident	90.3	Very high	19 Å²	19	65.3 Å²	65.3	12%	0.115	33%	0.325	C	S	.	.			trans	-132.7	157	-179	-69	0	0	0	0	108.8	K296 F302 R303 R513	K296-V298 PolarHBondContact O-N 3.46Å; V298-F302 HydrophobicContact CB-CB 4.19Å; V298-F302 HydrophobicContact CB-CD1 3.68Å; V298-F302 HydrophobicContact CB-CE1 4.38Å; V298-F302 HydrophobicContact CB-CG 4.05Å; V298-F302 HydrophobicContact CG1-CD1 3.78Å; V298-F302 HydrophobicContact CG1-CE1 3.99Å; V298-F302 HydrophobicContact CG1-CG 4.32Å; V298-F302 HydrophobicContact CG2-CD1 3.98Å; V298-R303 HydrophobicContact CG2-CG 3.55Å; V298-R513 HydrophobicContact CG1-CB 4.32Å
299	S	86.4	Confident	90	Very high	7 Å²	7	69.7 Å²	69.7	5%	0.049	35%	0.351	C	S	.	.			trans	-66.2	157.2	175.4	52.4	0	0	0	0	111.9	E301 F302 R303 R513	S299-E301 VanDerWaalsContact C-N 3.27Å; S299-E301 PolarHBondContact O-N 2.8Å; S299-F302 WeakPolarHBondContact O-CB 3.47Å; S299-F302 PolarHBondContact O-N 2.63Å; S299-F302 WeakPolarHBondContact OG-CB 3.49Å; S299-F302 PolarHBondContact OG-N 2.73Å; S299-R303 WeakPolarHBondContact O-CG 3.01Å; S299-R303 PolarHBondContact O-N 3.16Å; S299-R513 PolarHBondContact OG-O 3.39Å
300	D	89.6	Confident	89.6	Confident	115 Å²	115	71.2 Å²	71.2	62%	0.615	37%	0.367	S	S	*	.	H	α-helix	trans	-64	-39.9	176.5	-68.7	-34.3	0	0	0	109.9	F302 R303 D304	D300-F302 VanDerWaalsContact C-N 3.3Å; D300-F302 PolarHBondContact O-N 2.82Å; D300-R303 WeakPolarHBondContact O-CB 3.47Å; D300-R303 PolarHBondContact O-N 2.75Å; D300-D304 PolarHBondContact O-N 3.3Å
301	E	93.3	Very high	89.3	Confident	88 Å²	88	77.8 Å²	77.8	41%	0.411	40%	0.398	S	S	.	.	H	α-helix	trans	-58.4	-40.2	173.2	-62.2	78.9	-173	0	0	111.8	S299 L305 V515	S299-E301 VanDerWaalsContact C-N 3.27Å; S299-E301 PolarHBondContact O-N 2.8Å; E301-L305 VanDerWaalsContact O-CB 3.27Å; E301-L305 WeakPolarHBondContact O-CB 3.39Å; E301-L305 PolarHBondContact O-N 3.11Å; E301-L305 VanDerWaalsContact O-N 3.1Å; E301-V515 HydrophobicContact CB-CB 3.82Å; E301-V515 HydrophobicContact CB-CG1 4.04Å
302	F	94.3	Very high	89.2	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-64.7	-41.8	173.9	-175.8	-78.5	0	0	0	111.9	V293 V298 S299 D300 L305 F306 F510 R513 V515 L521	V293-F302 HydrophobicContact CG2-CE1 4.01Å; V293-F302 HydrophobicContact CG2-CZ 3.83Å; V298-F302 HydrophobicContact CB-CB 4.19Å; V298-F302 HydrophobicContact CB-CD1 3.68Å; V298-F302 HydrophobicContact CB-CE1 4.38Å; V298-F302 HydrophobicContact CB-CG 4.05Å; V298-F302 HydrophobicContact CG1-CD1 3.78Å; V298-F302 HydrophobicContact CG1-CE1 3.99Å; V298-F302 HydrophobicContact CG1-CG 4.32Å; V298-F302 HydrophobicContact CG2-CD1 3.98Å; S299-F302 WeakPolarHBondContact O-CB 3.47Å; S299-F302 PolarHBondContact O-N 2.63Å; S299-F302 WeakPolarHBondContact OG-CB 3.49Å; S299-F302 PolarHBondContact OG-N 2.73Å; D300-F302 VanDerWaalsContact C-N 3.3Å; D300-F302 PolarHBondContact O-N 2.82Å; F302-L305 PolarHBondContact O-N 2.94Å; F302-F306 HydrophobicContact CD1-CB 4.38Å; F302-F306 HydrophobicContact CD1-CD2 4.15Å; F302-F306 AromaticContact CD2-CD2 3.55Å; F302-F306 HydrophobicContact CD2-CD2 3.55Å; F302-F306 AromaticContact CD2-CE2 3.87Å; F302-F306 HydrophobicContact CD2-CE2 3.87Å; F302-F306 HydrophobicContact CE1-CB 3.96Å; F302-F306 HydrophobicContact CE1-CD2 4.05Å; F302-F306 HydrophobicContact CE1-CG 4.37Å; F302-F306 AromaticContact CE2-CD2 3.42Å; F302-F306 HydrophobicContact CE2-CD2 3.42Å; F302-F306 VanDerWaalsContact CE2-CD2 3.42Å; F302-F306 AromaticContact CE2-CE2 3.75Å; F302-F306 HydrophobicContact CE2-CE2 3.75Å; F302-F306 HydrophobicContact CE2-CG 4.27Å; F302-F306 AromaticContact CG-CD2 3.9Å; F302-F306 HydrophobicContact CG-CD2 3.9Å; F302-F306 HydrophobicContact CZ-CB 4.14Å; F302-F306 AromaticContact CZ-CD2 3.68Å; F302-F306 HydrophobicContact CZ-CD2 3.68Å; F302-F306 HydrophobicContact CZ-CE2 4.39Å; F302-F306 HydrophobicContact CZ-CG 4.11Å; F302-F306 PolarHBondContact O-N 3Å; F302-F510 HydrophobicContact CE2-CB 3.78Å; F302-F510 AromaticContact CE2-CD1 3.68Å; F302-F510 HydrophobicContact CE2-CD1 3.68Å; F302-F510 HydrophobicContact CE2-CD2 4.45Å; F302-F510 HydrophobicContact CE2-CE1 4.35Å; F302-F510 AromaticContact CE2-CG 3.73Å; F302-F510 HydrophobicContact CE2-CG 3.73Å; F302-F510 HydrophobicContact CZ-CB 4.33Å; F302-F510 AromaticContact CZ-CD1 3.92Å; F302-F510 HydrophobicContact CZ-CD1 3.92Å; F302-F510 HydrophobicContact CZ-CD2 4.19Å; F302-F510 HydrophobicContact CZ-CE1 4.22Å; F302-F510 HydrophobicContact CZ-CE2 4.47Å; F302-F510 AromaticContact CZ-CG 3.9Å; F302-F510 HydrophobicContact CZ-CG 3.9Å; F302-F510 HydrophobicContact CZ-CZ 4.48Å; F302-R513 HydrophobicContact CD2-CB 4.31Å; F302-V515 HydrophobicContact CB-CG2 3.96Å; F302-V515 HydrophobicContact CD2-CG2 3.96Å; F302-V515 HydrophobicContact CG-CG2 4.44Å; F302-L521 HydrophobicContact CD2-CD1 4.19Å; F302-L521 HydrophobicContact CE2-CD1 4.37Å
303	R	92.9	Very high	89.3	Confident	119 Å²	119	69.4 Å²	69.4	45%	0.449	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-45.3	178.6	-68.5	175.9	59.1	113.5	3.4	111	V298 S299 D300 L305 L307	V298-R303 HydrophobicContact CG2-CG 3.55Å; S299-R303 WeakPolarHBondContact O-CG 3.01Å; S299-R303 PolarHBondContact O-N 3.16Å; D300-R303 WeakPolarHBondContact O-CB 3.47Å; D300-R303 PolarHBondContact O-N 2.75Å; R303-L305 PolarHBondContact O-N 3.03Å; R303-L307 HydrophobicContact CG-CD1 4.32Å; R303-L307 CarbonylContact O-C 3.06Å; R303-L307 WeakPolarHBondContact O-CA 3.18Å; R303-L307 WeakPolarHBondContact O-CB 3.3Å; R303-L307 PolarHBondContact O-N 2.83Å
304	D	91.8	Very high	89.5	Confident	136 Å²	136	75.2 Å²	75.2	73%	0.727	39%	0.394	S	S	*	.	H	α-helix	trans	-63.8	-35.9	-179.6	-71	-13.5	0	0	0	111.5	D300	D300-D304 PolarHBondContact O-N 3.3Å
305	L	92.7	Very high	90	Very high	43 Å²	43	75 Å²	75	23%	0.225	40%	0.401	C	S	.	.	H	α-helix	trans	-79.8	-45	-177.6	-168.1	63.7	0	0	0	113.9	E301 F302 R303 V515	E301-L305 VanDerWaalsContact O-CB 3.27Å; E301-L305 WeakPolarHBondContact O-CB 3.39Å; E301-L305 PolarHBondContact O-N 3.11Å; E301-L305 VanDerWaalsContact O-N 3.1Å; F302-L305 PolarHBondContact O-N 2.94Å; R303-L305 PolarHBondContact O-N 3.03Å; L305-V515 HydrophobicContact CD2-CG1 4.13Å
306	F	93.6	Very high	90.5	Very high	15 Å²	15	70.1 Å²	70.1	7%	0.066	39%	0.386	C	S	.	.	H	α-helix	trans	-109.9	-14.2	-170.6	-64.4	-69.1	0	0	0	114.3	P193 V290 F302 P308 P313 F510 V515 L521	P193-F306 HydrophobicContact CB-CE1 4.26Å; P193-F306 HydrophobicContact CB-CZ 4.19Å; P193-F306 HydrophobicContact CG-CE1 3.7Å; P193-F306 HydrophobicContact CG-CZ 4.14Å; V290-F306 HydrophobicContact CG1-CB 4.43Å; V290-F306 WeakPolarHBondContact CG1-O 3.22Å; V290-F306 HydrophobicContact CG2-CB 4.41Å; F302-F306 HydrophobicContact CD1-CB 4.38Å; F302-F306 HydrophobicContact CD1-CD2 4.15Å; F302-F306 AromaticContact CD2-CD2 3.55Å; F302-F306 HydrophobicContact CD2-CD2 3.55Å; F302-F306 AromaticContact CD2-CE2 3.87Å; F302-F306 HydrophobicContact CD2-CE2 3.87Å; F302-F306 HydrophobicContact CE1-CB 3.96Å; F302-F306 HydrophobicContact CE1-CD2 4.05Å; F302-F306 HydrophobicContact CE1-CG 4.37Å; F302-F306 AromaticContact CE2-CD2 3.42Å; F302-F306 HydrophobicContact CE2-CD2 3.42Å; F302-F306 VanDerWaalsContact CE2-CD2 3.42Å; F302-F306 AromaticContact CE2-CE2 3.75Å; F302-F306 HydrophobicContact CE2-CE2 3.75Å; F302-F306 HydrophobicContact CE2-CG 4.27Å; F302-F306 AromaticContact CG-CD2 3.9Å; F302-F306 HydrophobicContact CG-CD2 3.9Å; F302-F306 HydrophobicContact CZ-CB 4.14Å; F302-F306 AromaticContact CZ-CD2 3.68Å; F302-F306 HydrophobicContact CZ-CD2 3.68Å; F302-F306 HydrophobicContact CZ-CE2 4.39Å; F302-F306 HydrophobicContact CZ-CG 4.11Å; F302-F306 PolarHBondContact O-N 3Å; F306-P308 VanDerWaalsContact C-CD 3.4Å; F306-P308 WeakPolarHBondContact O-CD 3.46Å; F306-P313 WeakPolarHBondContact O-CD 3.44Å; F306-F510 HydrophobicContact CD1-CE1 4.25Å; F306-F510 HydrophobicContact CE1-CE1 4.17Å; F306-F510 HydrophobicContact CE2-CD1 4.41Å; F306-F510 HydrophobicContact CZ-CD1 4.39Å; F306-F510 HydrophobicContact CZ-CE1 4.32Å; F306-V515 HydrophobicContact CE2-CG2 4.36Å; F306-L521 HydrophobicContact CE2-CD2 4.5Å; F306-L521 HydrophobicContact CZ-CD2 4.43Å
307	L	92.7	Very high	91	Very high	7 Å²	7	69 Å²	69	4%	0.037	38%	0.383	C	S	.	.			trans	-126.3	60.8	-178.1	-60.1	170.3	0	0	0	111	V290 K294 R303 N309 G310 Q311 A312	V290-L307 HydrophobicContact CG1-CD2 3.45Å; V290-L307 VanDerWaalsContact CG1-CD2 3.45Å; V290-L307 HydrophobicContact CG1-CG 4.34Å; K294-L307 HydrophobicContact CB-CD1 4.33Å; K294-L307 HydrophobicContact CB-CD2 3.81Å; R303-L307 HydrophobicContact CG-CD1 4.32Å; R303-L307 CarbonylContact O-C 3.06Å; R303-L307 WeakPolarHBondContact O-CA 3.18Å; R303-L307 WeakPolarHBondContact O-CB 3.3Å; R303-L307 PolarHBondContact O-N 2.83Å; L307-N309 PolarHBondContact O-N 3.41Å; L307-G310 WeakPolarHBondContact O-CA 3.22Å; L307-G310 PolarHBondContact O-N 2.75Å; L307-Q311 CarbonylContact C-O 3.31Å; L307-Q311 WeakPolarHBondContact CA-O 3.45Å; L307-A312 HydrophobicContact CD2-CB 4.28Å
308	P	86.4	Confident	91.7	Very high	55 Å²	55	67.9 Å²	67.9	36%	0.357	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-57.5	127.6	178.7	26	-34.2	0	0	0	110	F306 G310 Q311	F306-P308 VanDerWaalsContact C-CD 3.4Å; F306-P308 WeakPolarHBondContact O-CD 3.46Å; P308-G310 PolarHBondContact O-N 2.98Å; P308-Q311 PolarHBondContact O-N 2.92Å
309	N	86.7	Confident	92.2	Very high	170 Å²	170	69.2 Å²	69.2	91%	0.909	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	59.2	23.5	-172.6	-49.7	-57.3	0	0	0	114.6	L307 Q311	L307-N309 PolarHBondContact O-N 3.41Å; N309-Q311 VanDerWaalsContact C-N 3.28Å; N309-Q311 PolarHBondContact O-N 2.87Å
310	G	86.2	Confident	92.7	Very high	42 Å²	42	75.3 Å²	75.3	43%	0.433	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	74.1	12.9	-179.3	0	0	0	0	0	114.8	L307 P308	L307-G310 WeakPolarHBondContact O-CA 3.22Å; L307-G310 PolarHBondContact O-N 2.75Å; P308-G310 PolarHBondContact O-N 2.98Å
311	Q	89.6	Confident	93	Very high	137 Å²	137	70.2 Å²	70.2	64%	0.64	37%	0.374	S	S	*	.			trans	-112.3	143	-179	-67	-89	2.5	0	0	110.3	L307 P308 N309	L307-Q311 CarbonylContact C-O 3.31Å; L307-Q311 WeakPolarHBondContact CA-O 3.45Å; P308-Q311 PolarHBondContact O-N 2.92Å; N309-Q311 VanDerWaalsContact C-N 3.28Å; N309-Q311 PolarHBondContact O-N 2.87Å
312	A	92.2	Very high	93.2	Very high	18 Å²	18	70.5 Å²	70.5	15%	0.149	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-68.6	139	168.9	0	0	0	0	0	109.7	V290 N291 L307	V290-A312 HydrophobicContact CB-CB 4.33Å; V290-A312 HydrophobicContact CG1-CB 3.78Å; N291-A312 HydrophobicContact CB-CB 4.17Å; L307-A312 HydrophobicContact CD2-CB 4.28Å
313	P	93.6	Very high	93.3	Very high	19 Å²	19	72.4 Å²	72.4	12%	0.123	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-66.1	149.6	177.2	29.2	-34.1	0	0	0	110.6	V282 A287 F306 Q317	V282-P313 HydrophobicContact CG1-CB 4.3Å; V282-P313 HydrophobicContact CG1-CG 4.11Å; V282-P313 HydrophobicContact CG2-CB 4.05Å; V282-P313 HydrophobicContact CG2-CG 4.24Å; A287-P313 WeakPolarHBondContact CB-O 3.43Å; F306-P313 WeakPolarHBondContact O-CD 3.44Å; P313-Q317 VanDerWaalsContact CA-OE1 3.32Å
314	L	94.9	Very high	93.5	Very high	128 Å²	128	67.1 Å²	67.1	67%	0.67	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-81.5	149.5	175.4	-61.1	176.5	0	0	0	110.5	G316 Q317	L314-G316 PolarHBondContact O-N 2.97Å; L314-Q317 HydrophobicContact CB-CB 4.48Å; L314-Q317 VanDerWaalsContact N-OE1 3.08Å; L314-Q317 WeakPolarHBondContact O-CB 3.37Å; L314-Q317 PolarHBondContact O-N 3.13Å
315	S	95.8	Very high	93.8	Very high	70 Å²	70	60.7 Å²	60.7	49%	0.49	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	136	167.8	179	0	0	0	0	109.9	Q317	S315-Q317 VanDerWaalsContact C-N 3.27Å; S315-Q317 PolarHBondContact O-N 3.36Å
316	G	95.7	Very high	94.1	Very high	46 Å²	46	64 Å²	64	47%	0.474	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-8.1	-173.3	0	0	0	0	0	115.1	V282 L314 F318	V282-G316 PolarHBondContact O-N 3.4Å; L314-G316 PolarHBondContact O-N 2.97Å; G316-F318 PolarHBondContact O-N 3.45Å
317	Q	95.9	Very high	94.3	Very high	84 Å²	84	63.6 Å²	63.6	39%	0.393	35%	0.35	S	S	.	.			trans	-67.5	130.6	176.4	-176.6	177	-15.2	0	0	110.5	V282 P313 L314 S315	V282-Q317 WeakPolarHBondContact CB-O 3.49Å; V282-Q317 WeakPolarHBondContact CG2-O 3.3Å; V282-Q317 PolarHBondContact N-O 3.17Å; P313-Q317 VanDerWaalsContact CA-OE1 3.32Å; L314-Q317 HydrophobicContact CB-CB 4.48Å; L314-Q317 VanDerWaalsContact N-OE1 3.08Å; L314-Q317 WeakPolarHBondContact O-CB 3.37Å; L314-Q317 PolarHBondContact O-N 3.13Å; S315-Q317 VanDerWaalsContact C-N 3.27Å; S315-Q317 PolarHBondContact O-N 3.36Å
318	F	96.3	Very high	94.6	Very high	108 Å²	108	63.3 Å²	63.3	47%	0.474	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.5	177.8	-175.4	-100.9	0	0	0	111.9	N278 G316 R320	N278-F318 WeakPolarHBondContact O-CZ 3.46Å; G316-F318 PolarHBondContact O-N 3.45Å; F318-R320 HydrophobicContact CE1-CG 4.14Å; F318-R320 HydrophobicContact CZ-CG 4.42Å
319	T	95.3	Very high	95.1	Very high	46 Å²	46	62.6 Å²	62.6	28%	0.282	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	168.1	177	-166.1	0	0	0	0	112.1	G279 F280 V282	G279-T319 CarbonylContact C-O 3.51Å; G279-T319 WeakPolarHBondContact CA-O 3.22Å; F280-T319 HydrophobicContact CD1-CG2 4.29Å; F280-T319 HydrophobicContact CD2-CG2 4.22Å; F280-T319 HydrophobicContact CE1-CG2 3.85Å; F280-T319 HydrophobicContact CE2-CG2 3.76Å; F280-T319 HydrophobicContact CG-CG2 4.46Å; F280-T319 HydrophobicContact CZ-CG2 3.56Å; F280-T319 PolarHBondContact N-O 2.76Å; F280-T319 PolarHBondContact O-N 3.26Å; V282-T319 HydrophobicContact CG2-CG2 3.74Å
320	R	96.2	Very high	95.6	Very high	135 Å²	135	55.6 Å²	55.6	51%	0.509	31%	0.308	S	S	.	.			trans	-136.5	155.1	179	-72.3	179.8	177.7	160.9	1.8	110.9	R277 N278 F318 L322	R277-R320 WeakPolarHBondContact O-CD 3.07Å; N278-R320 PolarHBondContact O-NE 2.88Å; F318-R320 HydrophobicContact CE1-CG 4.14Å; F318-R320 HydrophobicContact CZ-CG 4.42Å; R320-L322 HydrophobicContact CB-CD2 4.39Å; R320-L322 HydrophobicContact CB-CG 4.42Å
321	R	96.8	Very high	96.1	Very high	9 Å²	9	53.6 Å²	53.6	3%	0.034	29%	0.287	C	S	.	.			trans	-125.8	64.7	176.8	-72.4	-61.6	-51.9	-85.9	9.4	109.7	I190 A276 F280 D323 L324 A325 G519	I190-R321 HydrophobicContact CG2-CB 4.35Å; I190-R321 HydrophobicContact CG2-CG 4.39Å; A276-R321 HydrophobicContact CB-CB 4.06Å; A276-R321 WeakPolarHBondContact CB-O 3.18Å; A276-R321 CarbonylContact O-C 3.56Å; A276-R321 PolarHBondContact O-N 3.49Å; F280-R321 HydrophobicContact CE1-CG 4.06Å; R321-D323 WeakPolarHBondContact CA-OD1 3.26Å; R321-D323 IonicContact CZ-OD1 3.93Å; R321-D323 IonicContact CZ-OD2 3.44Å; R321-D323 IonicContact NE-OD1 3.15Å; R321-D323 PolarHBondContact NE-OD1 2.87Å; R321-D323 IonicContact NE-OD2 2.69Å; R321-D323 PolarHBondContact NE-OD2 2.93Å; R321-D323 IonicContact NH2-OD1 2.66Å; R321-D323 IonicContact NH2-OD2 3.85Å; R321-D323 PolarHBondContact NH2-OD2 3.01Å; R321-D323 PolarHBondContact O-N 2.86Å; R321-L324 HydrophobicContact CB-CB 4.01Å; R321-L324 VanDerWaalsContact NH2-CD1 3.34Å; R321-L324 PolarHBondContact O-N 2.88Å; R321-L324 VanDerWaalsContact O-N 3.09Å; R321-A325 PolarHBondContact O-N 3.28Å; R321-G519 PolarHBondContact NH2-O 2.79Å
322	L	97.6	Very high	96.5	Very high	93 Å²	93	47.4 Å²	47.4	49%	0.487	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-34.6	-177.5	-59.8	-176.5	0	0	0	111.9	R277 R320 A325 D326	R277-L322 HydrophobicContact CG-CD2 4.24Å; R320-L322 HydrophobicContact CB-CD2 4.39Å; R320-L322 HydrophobicContact CB-CG 4.42Å; L322-A325 WeakPolarHBondContact O-CB 3.27Å; L322-A325 PolarHBondContact O-N 2.84Å; L322-D326 PolarHBondContact O-N 2.9Å
323	D	96.4	Very high	96.7	Very high	41 Å²	41	51.4 Å²	51.4	22%	0.219	28%	0.278	C	S	.	.	H	α-helix	trans	-53.9	-50.8	170.3	59.8	-29.2	0	0	0	112.1	R321 D326 I327 G519	R321-D323 WeakPolarHBondContact CA-OD1 3.26Å; R321-D323 IonicContact CZ-OD1 3.93Å; R321-D323 IonicContact CZ-OD2 3.44Å; R321-D323 IonicContact NE-OD1 3.15Å; R321-D323 PolarHBondContact NE-OD1 2.87Å; R321-D323 IonicContact NE-OD2 2.69Å; R321-D323 PolarHBondContact NE-OD2 2.93Å; R321-D323 IonicContact NH2-OD1 2.66Å; R321-D323 IonicContact NH2-OD2 3.85Å; R321-D323 PolarHBondContact NH2-OD2 3.01Å; R321-D323 PolarHBondContact O-N 2.86Å; D323-D326 PolarHBondContact O-N 3.11Å; D323-I327 WeakPolarHBondContact O-CG1 3.25Å; D323-I327 PolarHBondContact O-N 3.31Å; D323-G519 WeakPolarHBondContact OD2-CA 3.46Å
324	L	97.6	Very high	96.7	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-72.3	-31	179.2	-133.9	87.5	0	0	0	112.3	I190 I198 A276 R321 I327 L328	I190-L324 HydrophobicContact CG1-CD2 3.56Å; I198-L324 HydrophobicContact CD1-CD1 4.34Å; A276-L324 HydrophobicContact CB-CB 4.41Å; R321-L324 HydrophobicContact CB-CB 4.01Å; R321-L324 VanDerWaalsContact NH2-CD1 3.34Å; R321-L324 PolarHBondContact O-N 2.88Å; R321-L324 VanDerWaalsContact O-N 3.09Å; L324-I327 PolarHBondContact O-N 2.67Å; L324-L328 WeakPolarHBondContact O-CB 3.46Å; L324-L328 VanDerWaalsContact O-CG 3.28Å; L324-L328 WeakPolarHBondContact O-CG 3.46Å; L324-L328 PolarHBondContact O-N 3.14Å
325	A	98.5	Very high	96.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-47.4	173.9	0	0	0	0	0	111.2	A276 R277 R321 L322 I327 L328 D329	A276-A325 HydrophobicContact CB-CB 3.9Å; R277-A325 HydrophobicContact CB-CB 3.85Å; R277-A325 HydrophobicContact CG-CB 4.41Å; R321-A325 PolarHBondContact O-N 3.28Å; L322-A325 WeakPolarHBondContact O-CB 3.27Å; L322-A325 PolarHBondContact O-N 2.84Å; A325-I327 VanDerWaalsContact C-N 3.31Å; A325-I327 PolarHBondContact O-N 3.42Å; A325-L328 PolarHBondContact O-N 3.08Å; A325-D329 WeakPolarHBondContact O-CB 3.46Å; A325-D329 PolarHBondContact O-N 2.05Å
326	D	98.1	Very high	96.7	Very high	111 Å²	111	49.6 Å²	49.6	59%	0.594	26%	0.261	S	S	*	.	H	α-helix	trans	-62	-39.4	178.2	-69.6	-19.4	0	0	0	111.7	L322 D323 A330	L322-D326 PolarHBondContact O-N 2.9Å; D323-D326 PolarHBondContact O-N 3.11Å; D326-A330 WeakPolarHBondContact O-CB 3.43Å; D326-A330 PolarHBondContact O-N 2.83Å
327	I	98	Very high	96.6	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.036	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-49.9	174.8	-70.2	163.6	0	0	0	111	I198 D323 L324 A325 A330 V331 L344 S518 I520	I198-I327 HydrophobicContact CD1-CG2 3.72Å; D323-I327 WeakPolarHBondContact O-CG1 3.25Å; D323-I327 PolarHBondContact O-N 3.31Å; L324-I327 PolarHBondContact O-N 2.67Å; A325-I327 VanDerWaalsContact C-N 3.31Å; A325-I327 PolarHBondContact O-N 3.42Å; I327-A330 PolarHBondContact O-N 2.91Å; I327-V331 HydrophobicContact CG2-CG2 4.5Å; I327-V331 WeakPolarHBondContact O-CG2 3.24Å; I327-V331 PolarHBondContact O-N 3.35Å; I327-L344 HydrophobicContact CD1-CD2 4.47Å; I327-L344 HydrophobicContact CG1-CD1 4.42Å; I327-L344 HydrophobicContact CG1-CD2 4.04Å; I327-L344 HydrophobicContact CG2-CD1 3.82Å; I327-S518 WeakPolarHBondContact CD1-O 3.27Å; I327-I520 HydrophobicContact CD1-CD1 4.16Å; I327-I520 HydrophobicContact CD1-CG1 3.59Å
328	L	98.4	Very high	96.5	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-67	-37.7	-177.3	-70.1	174.5	0	0	0	111.6	I190 I198 V269 A272 A273 L324 A325 V331 A332	I190-L328 HydrophobicContact CD1-CD1 3.83Å; I190-L328 HydrophobicContact CG1-CD1 4.41Å; I198-L328 HydrophobicContact CG2-CD2 4.38Å; V269-L328 HydrophobicContact CG1-CB 4.02Å; V269-L328 HydrophobicContact CG1-CD2 4.1Å; V269-L328 VanDerWaalsContact CG1-O 3.22Å; V269-L328 WeakPolarHBondContact CG1-O 3.35Å; A272-L328 HydrophobicContact CB-CD1 4.4Å; A273-L328 HydrophobicContact CB-CB 3.66Å; A273-L328 HydrophobicContact CB-CD1 4.44Å; L324-L328 WeakPolarHBondContact O-CB 3.46Å; L324-L328 VanDerWaalsContact O-CG 3.28Å; L324-L328 WeakPolarHBondContact O-CG 3.46Å; L324-L328 PolarHBondContact O-N 3.14Å; A325-L328 PolarHBondContact O-N 3.08Å; L328-V331 PolarHBondContact O-N 3.49Å; L328-A332 VanDerWaalsContact O-CB 3.31Å; L328-A332 WeakPolarHBondContact O-CB 3.43Å; L328-A332 PolarHBondContact O-N 2.93Å
329	D	97.9	Very high	96.5	Very high	40 Å²	40	43.1 Å²	43.1	21%	0.214	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-44.4	172.2	-76.5	-24.7	0	0	0	111.6	A273 R277 A325 V331 A332 D333	A273-D329 WeakPolarHBondContact CB-OD1 3.46Å; R277-D329 IonicContact CZ-OD2 2.78Å; R277-D329 IonicContact NE-OD2 3.81Å; R277-D329 IonicContact NH2-OD1 3.65Å; R277-D329 PolarHBondContact NH2-OD1 2.9Å; R277-D329 IonicContact NH2-OD2 3.59Å; R277-D329 PolarHBondContact NH2-OD2 2.71Å; A325-D329 WeakPolarHBondContact O-CB 3.46Å; A325-D329 PolarHBondContact O-N 2.05Å; D329-V331 VanDerWaalsContact C-N 3.32Å; D329-V331 PolarHBondContact O-N 2.95Å; D329-A332 WeakPolarHBondContact O-CB 3.49Å; D329-A332 PolarHBondContact O-N 2.93Å; D329-D333 WeakPolarHBondContact O-CB 3.45Å; D329-D333 PolarHBondContact O-N 2.92Å
330	A	96.8	Very high	96.6	Very high	23 Å²	23	41.9 Å²	41.9	19%	0.19	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-39.6	177.1	0	0	0	0	0	112.1	D326 I327 K334 E338	D326-A330 WeakPolarHBondContact O-CB 3.43Å; D326-A330 PolarHBondContact O-N 2.83Å; I327-A330 PolarHBondContact O-N 2.91Å; A330-K334 WeakPolarHBondContact O-CB 3.34Å; A330-K334 PolarHBondContact O-N 2.96Å; A330-E338 HydrophobicContact CB-CG 4.19Å
331	V	97.4	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.7	-34.2	175.2	171.5	0	0	0	0	111.9	L250 W265 I327 L328 D329 G335 I336 F339	L250-V331 HydrophobicContact CD1-CG1 4.32Å; L250-V331 HydrophobicContact CD1-CG2 4.07Å; L250-V331 HydrophobicContact CD2-CG1 4.38Å; W265-V331 HydrophobicContact CZ2-CG1 4.07Å; W265-V331 PolarHBondContact NE1-O 2.99Å; I327-V331 HydrophobicContact CG2-CG2 4.5Å; I327-V331 WeakPolarHBondContact O-CG2 3.24Å; I327-V331 PolarHBondContact O-N 3.35Å; L328-V331 PolarHBondContact O-N 3.49Å; D329-V331 VanDerWaalsContact C-N 3.32Å; D329-V331 PolarHBondContact O-N 2.95Å; V331-G335 CarbonylContact O-C 3.47Å; V331-G335 WeakPolarHBondContact O-CA 3.36Å; V331-G335 PolarHBondContact O-N 2.89Å; V331-I336 HydrophobicContact CG1-CG2 4.27Å; V331-F339 HydrophobicContact CG2-CB 4.49Å
332	A	97.3	Very high	96	Very high	7 Å²	7	40.3 Å²	40.3	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-42	175.6	0	0	0	0	0	111.3	K266 V269 L328 D329	K266-A332 WeakPolarHBondContact CB-O 3.33Å; K266-A332 HydrophobicContact CG-CB 4.14Å; V269-A332 HydrophobicContact CB-CB 3.88Å; V269-A332 HydrophobicContact CG1-CB 3.91Å; L328-A332 VanDerWaalsContact O-CB 3.31Å; L328-A332 WeakPolarHBondContact O-CB 3.43Å; L328-A332 PolarHBondContact O-N 2.93Å; D329-A332 WeakPolarHBondContact O-CB 3.49Å; D329-A332 PolarHBondContact O-N 2.93Å
333	D	95.9	Very high	95.8	Very high	102 Å²	102	43.6 Å²	43.6	55%	0.545	24%	0.242	S	C	.	.	H	α-helix	trans	-80.7	-43	-176.6	-79.3	-23	0	0	0	113.9	K266 D329	K266-D333 WeakPolarHBondContact CE-OD1 3.37Å; K266-D333 IonicContact NZ-OD1 3.94Å; K266-D333 PolarHBondContact NZ-OD1 3.23Å; D329-D333 WeakPolarHBondContact O-CB 3.45Å; D329-D333 PolarHBondContact O-N 2.92Å
334	K	94.3	Very high	95.8	Very high	129 Å²	129	42.2 Å²	42.2	56%	0.561	24%	0.235	S	C	*	.	H	α-helix	trans	-105.5	-5.6	-171.7	-55.2	177	-168.7	174.1	0	113.5	A330 S337 E338	A330-K334 WeakPolarHBondContact O-CB 3.34Å; A330-K334 PolarHBondContact O-N 2.96Å; K334-S337 PolarHBondContact O-OG 3.22Å; K334-E338 HydrophobicContact CB-CB 4.46Å; K334-E338 WeakPolarHBondContact CD-OE2 3.28Å; K334-E338 IonicContact NZ-OE2 2.9Å; K334-E338 PolarHBondContact NZ-OE2 2.93Å
335	G	94.1	Very high	95.8	Very high	18 Å²	18	42 Å²	42	19%	0.186	23%	0.233	C	C	.	.			trans	78.4	179.6	-173.8	0	0	0	0	0	113.4	V331 S337 E338	V331-G335 CarbonylContact O-C 3.47Å; V331-G335 WeakPolarHBondContact O-CA 3.36Å; V331-G335 PolarHBondContact O-N 2.89Å; G335-S337 PolarHBondContact O-N 3.06Å; G335-S337 VanDerWaalsContact O-N 3.12Å; G335-E338 PolarHBondContact O-N 3.3Å
336	I	95.6	Very high	95.7	Very high	33 Å²	33	46.6 Å²	46.6	17%	0.169	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.5	-174.4	62.1	165.4	0	0	0	114.3	L250 H254 W265 V331 E338 F339 Y340	L250-I336 HydrophobicContact CB-CG2 4.28Å; H254-I336 HydrophobicContact CB-CD1 3.99Å; H254-I336 HydrophobicContact CB-CG2 3.67Å; W265-I336 HydrophobicContact CZ2-CG2 3.86Å; V331-I336 HydrophobicContact CG1-CG2 4.27Å; I336-E338 PolarHBondContact O-N 2.82Å; I336-F339 WeakPolarHBondContact O-CB 3.46Å; I336-F339 PolarHBondContact O-N 3.23Å; I336-Y340 HydrophobicContact CB-CD2 4.23Å; I336-Y340 HydrophobicContact CB-CE2 4.4Å; I336-Y340 HydrophobicContact CD1-CD2 4.42Å; I336-Y340 HydrophobicContact CD1-CE2 4.48Å; I336-Y340 WeakPolarHBondContact O-CD2 3.32Å; I336-Y340 PolarHBondContact O-N 3.22Å
337	S	94.3	Very high	95.7	Very high	70 Å²	70	42.6 Å²	42.6	49%	0.49	23%	0.233	S	C	.	.	H	α-helix	trans	-62.8	-26.2	176.9	52.6	0	0	0	0	113	K334 G335 F339 S341 G342	K334-S337 PolarHBondContact O-OG 3.22Å; G335-S337 PolarHBondContact O-N 3.06Å; G335-S337 VanDerWaalsContact O-N 3.12Å; S337-F339 PolarHBondContact O-N 2.8Å; S337-S341 CarbonylContact O-C 3.15Å; S337-S341 WeakPolarHBondContact O-CA 3.27Å; S337-S341 PolarHBondContact O-N 2.76Å; S337-G342 PolarHBondContact O-N 3.1Å; S337-G342 VanDerWaalsContact O-N 3.13Å
338	E	93.4	Very high	95.7	Very high	32 Å²	32	42.2 Å²	42.2	15%	0.15	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-32.7	172.3	-175.7	66.8	-124.6	0	0	111.4	A330 K334 G335 I336 G342 L344	A330-E338 HydrophobicContact CB-CG 4.19Å; K334-E338 HydrophobicContact CB-CB 4.46Å; K334-E338 WeakPolarHBondContact CD-OE2 3.28Å; K334-E338 IonicContact NZ-OE2 2.9Å; K334-E338 PolarHBondContact NZ-OE2 2.93Å; G335-E338 PolarHBondContact O-N 3.3Å; I336-E338 PolarHBondContact O-N 2.82Å; E338-G342 WeakPolarHBondContact O-CA 3.37Å; E338-G342 PolarHBondContact O-N 2.93Å; E338-L344 HydrophobicContact CG-CD1 4.21Å
339	F	96.2	Very high	95.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-81	-42.9	178.7	-169	-90.7	0	0	0	113.1	I198 P247 L250 V331 I336 S337 L344 A345 M348 F364 I520	I198-F339 HydrophobicContact CB-CE2 4.38Å; I198-F339 HydrophobicContact CD1-CE2 4.08Å; I198-F339 HydrophobicContact CG1-CE2 4.25Å; I198-F339 WeakPolarHBondContact O-CZ 3.5Å; P247-F339 HydrophobicContact CB-CE1 4.12Å; P247-F339 HydrophobicContact CB-CZ 4.18Å; L250-F339 HydrophobicContact CD1-CB 3.91Å; L250-F339 HydrophobicContact CD1-CD1 4.21Å; L250-F339 HydrophobicContact CD1-CD2 3.47Å; L250-F339 VanDerWaalsContact CD1-CD2 3.47Å; L250-F339 HydrophobicContact CD1-CE2 3.95Å; L250-F339 HydrophobicContact CD1-CG 3.6Å; V331-F339 HydrophobicContact CG2-CB 4.49Å; I336-F339 WeakPolarHBondContact O-CB 3.46Å; I336-F339 PolarHBondContact O-N 3.23Å; S337-F339 PolarHBondContact O-N 2.8Å; F339-L344 HydrophobicContact CD2-CD1 4.16Å; F339-A345 WeakPolarHBondContact O-CB 3.43Å; F339-A345 PolarHBondContact O-N 3.2Å; F339-M348 HydrophobicContact CD1-CE 4.11Å; F339-M348 HydrophobicContact CD2-CE 4.33Å; F339-M348 HydrophobicContact CE1-CE 3.72Å; F339-M348 HydrophobicContact CE1-SD 4.28Å; F339-M348 HydrophobicContact CE2-CE 3.98Å; F339-M348 HydrophobicContact CE2-SD 4.24Å; F339-M348 HydrophobicContact CG-CE 4.41Å; F339-M348 HydrophobicContact CZ-CE 3.65Å; F339-M348 HydrophobicContact CZ-SD 3.77Å; F339-F364 HydrophobicContact CE1-CE1 4.49Å; F339-I520 HydrophobicContact CD2-CD1 4.38Å; F339-I520 HydrophobicContact CE2-CD1 3.83Å
340	Y	96.9	Very high	95.7	Very high	19 Å²	19	43.3 Å²	43.3	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-96.2	-16.4	-171.8	-70	-80.2	0	0	0	115.1	P247 L250 S251 I336 F364 Y367	P247-Y340 VanDerWaalsContact O-CE1 3.29Å; P247-Y340 WeakPolarHBondContact O-CE1 3.42Å; P247-Y340 PolarHBondContact O-OH 2.97Å; L250-Y340 HydrophobicContact CB-CE2 4.13Å; S251-Y340 WeakPolarHBondContact CB-OH 3.41Å; S251-Y340 PolarHBondContact N-OH 3.36Å; S251-Y340 VanDerWaalsContact N-OH 3.12Å; I336-Y340 HydrophobicContact CB-CD2 4.23Å; I336-Y340 HydrophobicContact CB-CE2 4.4Å; I336-Y340 HydrophobicContact CD1-CD2 4.42Å; I336-Y340 HydrophobicContact CD1-CE2 4.48Å; I336-Y340 WeakPolarHBondContact O-CD2 3.32Å; I336-Y340 PolarHBondContact O-N 3.22Å; Y340-F364 HydrophobicContact CD1-CB 4.4Å; Y340-F364 AromaticContact CD1-CD1 3.95Å; Y340-F364 HydrophobicContact CD1-CD1 3.95Å; Y340-F364 HydrophobicContact CE1-CD1 4.38Å; Y340-F364 WeakPolarHBondContact O-CB 3.28Å; Y340-Y367 HydrophobicContact CE1-CD1 4.01Å
341	S	92.8	Very high	95.7	Very high	94 Å²	94	43.1 Å²	43.1	66%	0.657	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139.4	2.7	-177.5	-50.5	0	0	0	0	113.4	S337	S337-S341 CarbonylContact O-C 3.15Å; S337-S341 WeakPolarHBondContact O-CA 3.27Å; S337-S341 PolarHBondContact O-N 2.76Å
342	G	89.4	Confident	95.7	Very high	17 Å²	17	43.1 Å²	43.1	18%	0.175	24%	0.244	C	C	.	.	S	Bend	trans	-102.7	-157.6	-177.1	0	0	0	0	0	113.6	S337 E338 L344 A345	S337-G342 PolarHBondContact O-N 3.1Å; S337-G342 VanDerWaalsContact O-N 3.13Å; E338-G342 WeakPolarHBondContact O-CA 3.37Å; E338-G342 PolarHBondContact O-N 2.93Å; G342-L344 VanDerWaalsContact C-N 3.26Å; G342-L344 PolarHBondContact O-N 3.41Å; G342-A345 PolarHBondContact O-N 3.38Å
343	K	93.3	Very high	95.6	Very high	162 Å²	162	48.2 Å²	48.2	70%	0.704	27%	0.265	S	S	*	.	H	α-helix	trans	-67.4	-28.7	-178.3	-68.2	179.2	179.2	179.1	0	112.5	Q346 D347	K343-Q346 PolarHBondContact O-N 2.75Å; K343-D347 WeakPolarHBondContact O-CB 3.25Å; K343-D347 PolarHBondContact O-N 2.85Å
344	L	96.2	Very high	95.6	Very high	13 Å²	13	47 Å²	47	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-67	-38.4	179.2	-60.9	177.4	0	0	0	111.8	I327 E338 F339 G342 Q346 D347 M348 I520	I327-L344 HydrophobicContact CD1-CD2 4.47Å; I327-L344 HydrophobicContact CG1-CD1 4.42Å; I327-L344 HydrophobicContact CG1-CD2 4.04Å; I327-L344 HydrophobicContact CG2-CD1 3.82Å; E338-L344 HydrophobicContact CG-CD1 4.21Å; F339-L344 HydrophobicContact CD2-CD1 4.16Å; G342-L344 VanDerWaalsContact C-N 3.26Å; G342-L344 PolarHBondContact O-N 3.41Å; L344-Q346 VanDerWaalsContact C-N 3.34Å; L344-Q346 PolarHBondContact O-N 2.71Å; L344-D347 PolarHBondContact O-N 3.19Å; L344-M348 WeakPolarHBondContact O-CE 3.3Å; L344-M348 WeakPolarHBondContact O-CG 3.21Å; L344-M348 PolarHBondContact O-N 3.42Å; L344-I520 HydrophobicContact CB-CD1 4.27Å; L344-I520 HydrophobicContact CD2-CD1 4.22Å
345	A	96.9	Very high	95.6	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-45.1	173.3	0	0	0	0	0	111.4	F339 G342 M348 V349 F364	F339-A345 WeakPolarHBondContact O-CB 3.43Å; F339-A345 PolarHBondContact O-N 3.2Å; G342-A345 PolarHBondContact O-N 3.38Å; A345-M348 PolarHBondContact O-N 3.49Å; A345-V349 WeakPolarHBondContact O-CB 3.32Å; A345-V349 VanDerWaalsContact O-CG2 3.29Å; A345-V349 WeakPolarHBondContact O-CG2 3.3Å; A345-V349 PolarHBondContact O-N 3.42Å; A345-F364 HydrophobicContact CB-CD2 4.47Å; A345-F364 HydrophobicContact CB-CG 4.31Å
346	Q	97	Very high	95.7	Very high	98 Å²	98	48.9 Å²	48.9	46%	0.458	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-42	178.1	-65.9	176.4	-8.7	0	0	112.1	K343 L344 V349 A350 E361	K343-Q346 PolarHBondContact O-N 2.75Å; L344-Q346 VanDerWaalsContact C-N 3.34Å; L344-Q346 PolarHBondContact O-N 2.71Å; Q346-V349 PolarHBondContact O-N 2.9Å; Q346-A350 WeakPolarHBondContact O-CB 3.45Å; Q346-A350 PolarHBondContact O-N 3.19Å; Q346-E361 HydrophobicContact CG-CG 4.42Å
347	D	97.2	Very high	95.7	Very high	27 Å²	27	47.7 Å²	47.7	14%	0.144	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-46.6	175.7	-178.4	32.1	0	0	0	111.7	K343 L344 V349 A350 A351 T516 A517 S518	K343-D347 WeakPolarHBondContact O-CB 3.25Å; K343-D347 PolarHBondContact O-N 2.85Å; L344-D347 PolarHBondContact O-N 3.19Å; D347-V349 PolarHBondContact O-N 2.96Å; D347-A350 PolarHBondContact O-N 2.87Å; D347-A351 WeakPolarHBondContact O-CB 3.29Å; D347-A351 PolarHBondContact O-N 2.98Å; D347-T516 WeakPolarHBondContact OD2-CB 3.39Å; D347-T516 PolarHBondContact OD2-OG1 3.09Å; D347-A517 WeakPolarHBondContact OD1-CB 3.45Å; D347-A517 PolarHBondContact OD1-N 3.03Å; D347-A517 PolarHBondContact OD2-N 2.99Å; D347-S518 WeakPolarHBondContact OD2-CB 3.34Å; D347-S518 PolarHBondContact OD2-N 2.91Å; D347-S518 PolarHBondContact OD2-OG 3.32Å
348	M	98	Very high	95.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-47.2	174.7	-72.8	-174.9	-75.4	0	0	112.1	P247 F339 L344 A345 A350 A351 V352 F364 T516 I520 L522	P247-M348 HydrophobicContact CG-SD 4.24Å; F339-M348 HydrophobicContact CD1-CE 4.11Å; F339-M348 HydrophobicContact CD2-CE 4.33Å; F339-M348 HydrophobicContact CE1-CE 3.72Å; F339-M348 HydrophobicContact CE1-SD 4.28Å; F339-M348 HydrophobicContact CE2-CE 3.98Å; F339-M348 HydrophobicContact CE2-SD 4.24Å; F339-M348 HydrophobicContact CG-CE 4.41Å; F339-M348 HydrophobicContact CZ-CE 3.65Å; F339-M348 HydrophobicContact CZ-SD 3.77Å; L344-M348 WeakPolarHBondContact O-CE 3.3Å; L344-M348 WeakPolarHBondContact O-CG 3.21Å; L344-M348 PolarHBondContact O-N 3.42Å; A345-M348 PolarHBondContact O-N 3.49Å; M348-A350 VanDerWaalsContact C-N 3.32Å; M348-A350 PolarHBondContact O-N 2.96Å; M348-A351 PolarHBondContact O-N 2.8Å; M348-V352 WeakPolarHBondContact O-CB 3.35Å; M348-V352 VanDerWaalsContact O-CG2 3.23Å; M348-V352 WeakPolarHBondContact O-CG2 3.32Å; M348-V352 PolarHBondContact O-N 3.46Å; M348-F364 HydrophobicContact CB-CE2 4.43Å; M348-F364 HydrophobicContact CB-CZ 3.86Å; M348-F364 HydrophobicContact CE-CD1 4.15Å; M348-F364 HydrophobicContact CE-CE1 3.29Å; M348-F364 HydrophobicContact CE-CZ 3.63Å; M348-F364 HydrophobicContact CG-CZ 4.48Å; M348-F364 HydrophobicContact SD-CE1 3.88Å; M348-F364 HydrophobicContact SD-CZ 3.88Å; M348-T516 HydrophobicContact CB-CG2 4.32Å; M348-T516 HydrophobicContact CG-CG2 3.73Å; M348-I520 HydrophobicContact CE-CD1 4.47Å; M348-I520 HydrophobicContact CG-CD1 4.18Å; M348-I520 HydrophobicContact SD-CD1 4.12Å; M348-I520 HydrophobicContact SD-CG2 4.21Å; M348-L522 HydrophobicContact CG-CD2 3.99Å; M348-L522 HydrophobicContact SD-CD2 3.93Å
349	V	98.3	Very high	96	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.036	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-42.2	177.6	168.2	0	0	0	0	111.4	A345 Q346 D347 K353 E361 F364	A345-V349 WeakPolarHBondContact O-CB 3.32Å; A345-V349 VanDerWaalsContact O-CG2 3.29Å; A345-V349 WeakPolarHBondContact O-CG2 3.3Å; A345-V349 PolarHBondContact O-N 3.42Å; Q346-V349 PolarHBondContact O-N 2.9Å; D347-V349 PolarHBondContact O-N 2.96Å; V349-K353 HydrophobicContact CG1-CD 3.9Å; V349-K353 HydrophobicContact CG1-CG 4.47Å; V349-K353 WeakPolarHBondContact O-CB 3.35Å; V349-K353 VanDerWaalsContact O-CG 3.32Å; V349-K353 WeakPolarHBondContact O-CG 3.34Å; V349-K353 PolarHBondContact O-N 3.33Å; V349-E361 HydrophobicContact CG2-CG 4.11Å; V349-F364 HydrophobicContact CG2-CD2 4.16Å; V349-F364 HydrophobicContact CG2-CE2 3.79Å
350	A	97.9	Very high	96.1	Very high	58 Å²	58	46 Å²	46	48%	0.479	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-47.3	177.9	0	0	0	0	0	111.8	Q346 D347 M348 V352 K353 A354	Q346-A350 WeakPolarHBondContact O-CB 3.45Å; Q346-A350 PolarHBondContact O-N 3.19Å; D347-A350 PolarHBondContact O-N 2.87Å; M348-A350 VanDerWaalsContact C-N 3.32Å; M348-A350 PolarHBondContact O-N 2.96Å; A350-V352 VanDerWaalsContact C-N 3.35Å; A350-V352 PolarHBondContact O-N 2.89Å; A350-K353 PolarHBondContact O-N 3.09Å; A350-A354 WeakPolarHBondContact O-CB 3.42Å; A350-A354 PolarHBondContact O-N 2.94Å
351	A	96.9	Very high	96.1	Very high	18 Å²	18	50 Å²	50	15%	0.149	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-41.7	178.5	0	0	0	0	0	112.2	D347 M348 I514 T516	D347-A351 WeakPolarHBondContact O-CB 3.29Å; D347-A351 PolarHBondContact O-N 2.98Å; M348-A351 PolarHBondContact O-N 2.8Å; A351-I514 HydrophobicContact CB-CG2 3.99Å; A351-T516 HydrophobicContact CB-CG2 3.96Å
352	V	97.2	Very high	96.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.7	-46	177.9	171.1	0	0	0	0	111.5	G241 V244 M348 A350 A354 K355 G357 L359 L522	G241-V352 WeakPolarHBondContact O-CG1 3.15Å; V244-V352 HydrophobicContact CB-CG2 4.09Å; V244-V352 HydrophobicContact CG1-CG2 3.98Å; V244-V352 HydrophobicContact CG2-CG2 4.06Å; M348-V352 WeakPolarHBondContact O-CB 3.35Å; M348-V352 VanDerWaalsContact O-CG2 3.23Å; M348-V352 WeakPolarHBondContact O-CG2 3.32Å; M348-V352 PolarHBondContact O-N 3.46Å; A350-V352 VanDerWaalsContact C-N 3.35Å; A350-V352 PolarHBondContact O-N 2.89Å; V352-A354 VanDerWaalsContact C-N 3.32Å; V352-A354 PolarHBondContact O-N 2.89Å; V352-K355 CarbonylContact O-C 3.15Å; V352-K355 PolarHBondContact O-N 2.78Å; V352-G357 WeakPolarHBondContact O-CA 3.03Å; V352-G357 PolarHBondContact O-N 2.96Å; V352-L359 HydrophobicContact CB-CB 4.24Å; V352-L359 HydrophobicContact CG1-CB 3.69Å; V352-L359 HydrophobicContact CG2-CD2 4.02Å; V352-L522 HydrophobicContact CG2-CD1 3.49Å; V352-L522 VanDerWaalsContact CG2-CD1 3.49Å
353	K	96.8	Very high	96.7	Very high	114 Å²	114	50.7 Å²	50.7	50%	0.496	27%	0.269	S	S	.	.	H	α-helix	trans	-65	-34.2	178.2	-76.3	178.2	177.6	174.4	0	112.8	V349 A350 K355 D356 L359	V349-K353 HydrophobicContact CG1-CD 3.9Å; V349-K353 HydrophobicContact CG1-CG 4.47Å; V349-K353 WeakPolarHBondContact O-CB 3.35Å; V349-K353 VanDerWaalsContact O-CG 3.32Å; V349-K353 WeakPolarHBondContact O-CG 3.34Å; V349-K353 PolarHBondContact O-N 3.33Å; A350-K353 PolarHBondContact O-N 3.09Å; K353-K355 PolarHBondContact O-N 2.9Å; K353-K355 VanDerWaalsContact O-N 3.11Å; K353-D356 PolarHBondContact O-N 3.11Å; K353-D356 VanDerWaalsContact O-N 3.13Å; K353-L359 WeakPolarHBondContact CE-O 3.07Å
354	A	95.5	Very high	96.9	Very high	77 Å²	77	43 Å²	43	64%	0.636	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.9	174.5	0	0	0	0	0	113.3	A350 V352	A350-A354 WeakPolarHBondContact O-CB 3.42Å; A350-A354 PolarHBondContact O-N 2.94Å; V352-A354 VanDerWaalsContact C-N 3.32Å; V352-A354 PolarHBondContact O-N 2.89Å
355	K	94.6	Very high	96.9	Very high	91 Å²	91	44.9 Å²	44.9	40%	0.396	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	33.3	176.3	-57.3	-62.2	-179.1	-175.8	0	112.3	K239 G241 V352 K353 G357 I514	K239-K355 CarbonylContact C-O 3.47Å; G241-K355 WeakPolarHBondContact CA-O 3.37Å; G241-K355 PolarHBondContact N-O 3.39Å; V352-K355 CarbonylContact O-C 3.15Å; V352-K355 PolarHBondContact O-N 2.78Å; K353-K355 PolarHBondContact O-N 2.9Å; K353-K355 VanDerWaalsContact O-N 3.11Å; K355-G357 PolarHBondContact O-N 2.94Å; K355-I514 HydrophobicContact CB-CD1 3.8Å; K355-I514 HydrophobicContact CG-CD1 3.88Å; K355-I514 HydrophobicContact CG-CG1 4.19Å
356	D	94.8	Very high	96.8	Very high	96 Å²	96	48.7 Å²	48.7	51%	0.513	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	21.7	176.9	-63.2	-46.9	0	0	0	115.3	K239 L242 K353	K239-D356 HydrophobicContact CB-CB 4.14Å; K239-D356 HydrophobicContact CD-CB 4.09Å; K239-D356 HydrophobicContact CG-CB 3.92Å; L242-D356 WeakPolarHBondContact CD2-O 3.45Å; K353-D356 PolarHBondContact O-N 3.11Å; K353-D356 VanDerWaalsContact O-N 3.13Å
357	G	96.3	Very high	96.8	Very high	8 Å²	8	45 Å²	45	8%	0.082	26%	0.26	C	S	.	.			trans	-81.2	165.9	174	0	0	0	0	0	113.7	G241 V352 K355	G241-G357 WeakPolarHBondContact O-CA 3.47Å; V352-G357 WeakPolarHBondContact O-CA 3.03Å; V352-G357 PolarHBondContact O-N 2.96Å; K355-G357 PolarHBondContact O-N 2.94Å
358	V	97.3	Very high	96.7	Very high	29 Å²	29	47.2 Å²	47.2	18%	0.176	28%	0.278	C	S	.	.			trans	-119.2	11.7	-171.4	-61.8	0	0	0	0	113.8	P224 A226 I227 M231 L242	P224-V358 HydrophobicContact CB-CG2 4.03Å; P224-V358 HydrophobicContact CG-CG2 4.34Å; A226-V358 HydrophobicContact CB-CB 4.05Å; A226-V358 HydrophobicContact CB-CG2 4.43Å; I227-V358 HydrophobicContact CB-CG2 4.02Å; I227-V358 HydrophobicContact CD1-CG2 3.51Å; I227-V358 HydrophobicContact CG1-CG2 4.35Å; M231-V358 HydrophobicContact CE-CG1 4.39Å; M231-V358 HydrophobicContact SD-CG1 3.91Å; L242-V358 HydrophobicContact CD2-CG1 4.08Å; L242-V358 HydrophobicContact CD2-CG2 4.41Å
359	L	97.2	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.283	C	S	.	.			trans	-63.5	138.3	177	-165.9	70	0	0	0	110.8	P224 V244 V246 V352 K353 D363 F364	P224-L359 HydrophobicContact CB-CD1 4.26Å; P224-L359 HydrophobicContact CG-CD1 3.91Å; V244-L359 HydrophobicContact CG1-CD2 4.24Å; V246-L359 HydrophobicContact CG2-CD1 3.75Å; V352-L359 HydrophobicContact CB-CB 4.24Å; V352-L359 HydrophobicContact CG1-CB 3.69Å; V352-L359 HydrophobicContact CG2-CD2 4.02Å; K353-L359 WeakPolarHBondContact CE-O 3.07Å; L359-D363 HydrophobicContact CD1-CB 4.15Å; L359-F364 HydrophobicContact CD1-CE2 4.31Å; L359-F364 HydrophobicContact CD2-CE2 3.44Å; L359-F364 VanDerWaalsContact CD2-CE2 3.44Å; L359-F364 HydrophobicContact CD2-CZ 3.61Å; L359-F364 HydrophobicContact CG-CE2 3.73Å; L359-F364 HydrophobicContact CG-CZ 4.36Å
360	T	97.4	Very high	96.7	Very high	36 Å²	36	49.2 Å²	49.2	22%	0.221	29%	0.29	C	S	.	.			trans	-126.4	159.9	-178.6	69.3	0	0	0	0	111.8	E362 D363 F364	T360-E362 PolarHBondContact O-N 3.43Å; T360-D363 WeakPolarHBondContact CB-OD2 3.43Å; T360-D363 PolarHBondContact N-OD2 2.96Å; T360-D363 WeakPolarHBondContact O-CB 3.49Å; T360-D363 PolarHBondContact O-N 3.36Å; T360-D363 VanDerWaalsContact O-N 3.11Å; T360-D363 PolarHBondContact OG1-N 3.11Å; T360-D363 PolarHBondContact OG1-OD2 2.92Å; T360-F364 WeakPolarHBondContact O-CD2 3.39Å
361	E	96.9	Very high	96.7	Very high	105 Å²	105	49.9 Å²	49.9	49%	0.491	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-30.9	174.2	-67.4	174.6	-132.2	0	0	111.7	Q346 V349 D363 F364 G365	Q346-E361 HydrophobicContact CG-CG 4.42Å; V349-E361 HydrophobicContact CG2-CG 4.11Å; E361-D363 VanDerWaalsContact C-N 3.29Å; E361-D363 PolarHBondContact O-N 3.07Å; E361-F364 PolarHBondContact O-N 3.11Å; E361-G365 PolarHBondContact O-N 2.9Å
362	E	97.1	Very high	96.7	Very high	118 Å²	118	51.4 Å²	51.4	55%	0.551	29%	0.289	S	S	*	.	H	α-helix	trans	-64.9	-33.8	175.5	-156	-160.1	137.8	0	0	111.9	T360 F364 G365 N366 R549	T360-E362 PolarHBondContact O-N 3.43Å; E362-F364 VanDerWaalsContact C-N 3.31Å; E362-F364 PolarHBondContact O-N 3.16Å; E362-G365 PolarHBondContact O-N 3.26Å; E362-N366 WeakPolarHBondContact CG-ND2 3.43Å; E362-N366 VanDerWaalsContact O-CB 3.32Å; E362-N366 WeakPolarHBondContact O-CB 3.42Å; E362-N366 VanDerWaalsContact O-CG 3.3Å; E362-N366 PolarHBondContact O-N 3.26Å; E362-N366 PolarHBondContact O-ND2 3.13Å; E362-N366 VanDerWaalsContact O-ND2 3.16Å; E362-N366 PolarHBondContact OE1-ND2 3.36Å; E362-R549 IonicContact OE1-NH2 3.19Å
363	D	98.2	Very high	96.7	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.032	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-38.9	176.1	-61.1	-50.8	0	0	0	111.4	S225 V246 L359 T360 E361 Y367	S225-D363 WeakPolarHBondContact CB-OD1 3.39Å; S225-D363 PolarHBondContact N-OD1 3.22Å; S225-D363 PolarHBondContact OG-OD1 3Å; V246-D363 HydrophobicContact CG2-CB 3.7Å; L359-D363 HydrophobicContact CD1-CB 4.15Å; T360-D363 WeakPolarHBondContact CB-OD2 3.43Å; T360-D363 PolarHBondContact N-OD2 2.96Å; T360-D363 WeakPolarHBondContact O-CB 3.49Å; T360-D363 PolarHBondContact O-N 3.36Å; T360-D363 VanDerWaalsContact O-N 3.11Å; T360-D363 PolarHBondContact OG1-N 3.11Å; T360-D363 PolarHBondContact OG1-OD2 2.92Å; E361-D363 VanDerWaalsContact C-N 3.29Å; E361-D363 PolarHBondContact O-N 3.07Å; D363-Y367 PolarHBondContact O-N 3.11Å; D363-Y367 VanDerWaalsContact O-N 3.17Å
364	F	97.8	Very high	96.7	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.009	30%	0.298	C	S	.	.	H	α-helix	trans	-68.5	-43.3	174.6	-73.5	-91	0	0	0	112	V246 P247 F339 Y340 A345 M348 V349 L359 T360 E361 E362 N366 Y367	V246-F364 HydrophobicContact CG1-CD1 4.13Å; V246-F364 HydrophobicContact CG1-CE1 4.4Å; V246-F364 HydrophobicContact CG1-CG 4.36Å; P247-F364 HydrophobicContact CG-CE1 4.33Å; F339-F364 HydrophobicContact CE1-CE1 4.49Å; Y340-F364 HydrophobicContact CD1-CB 4.4Å; Y340-F364 AromaticContact CD1-CD1 3.95Å; Y340-F364 HydrophobicContact CD1-CD1 3.95Å; Y340-F364 HydrophobicContact CE1-CD1 4.38Å; Y340-F364 WeakPolarHBondContact O-CB 3.28Å; A345-F364 HydrophobicContact CB-CD2 4.47Å; A345-F364 HydrophobicContact CB-CG 4.31Å; M348-F364 HydrophobicContact CB-CE2 4.43Å; M348-F364 HydrophobicContact CB-CZ 3.86Å; M348-F364 HydrophobicContact CE-CD1 4.15Å; M348-F364 HydrophobicContact CE-CE1 3.29Å; M348-F364 HydrophobicContact CE-CZ 3.63Å; M348-F364 HydrophobicContact CG-CZ 4.48Å; M348-F364 HydrophobicContact SD-CE1 3.88Å; M348-F364 HydrophobicContact SD-CZ 3.88Å; V349-F364 HydrophobicContact CG2-CD2 4.16Å; V349-F364 HydrophobicContact CG2-CE2 3.79Å; L359-F364 HydrophobicContact CD1-CE2 4.31Å; L359-F364 HydrophobicContact CD2-CE2 3.44Å; L359-F364 VanDerWaalsContact CD2-CE2 3.44Å; L359-F364 HydrophobicContact CD2-CZ 3.61Å; L359-F364 HydrophobicContact CG-CE2 3.73Å; L359-F364 HydrophobicContact CG-CZ 4.36Å; T360-F364 WeakPolarHBondContact O-CD2 3.39Å; E361-F364 PolarHBondContact O-N 3.11Å; E362-F364 VanDerWaalsContact C-N 3.31Å; E362-F364 PolarHBondContact O-N 3.16Å; F364-N366 VanDerWaalsContact C-N 3.25Å; F364-N366 PolarHBondContact O-N 3.33Å; F364-Y367 PolarHBondContact O-N 2.83Å
365	G	95	Very high	96.8	Very high	52 Å²	52	49.6 Å²	49.6	54%	0.536	27%	0.272	S	S	.	.	H	α-helix	trans	-65.1	-28.3	179.1	0	0	0	0	0	113.7	E361 E362	E361-G365 PolarHBondContact O-N 2.9Å; E362-G365 PolarHBondContact O-N 3.26Å
366	N	95.4	Very high	96.8	Very high	81 Å²	81	49 Å²	49	43%	0.433	27%	0.27	S	S	.	.	H	α-helix	trans	-92.8	-7.9	178.7	-70.9	-32.6	0	0	0	113.8	E362 F364 R549	E362-N366 WeakPolarHBondContact CG-ND2 3.43Å; E362-N366 VanDerWaalsContact O-CB 3.32Å; E362-N366 WeakPolarHBondContact O-CB 3.42Å; E362-N366 VanDerWaalsContact O-CG 3.3Å; E362-N366 PolarHBondContact O-N 3.26Å; E362-N366 PolarHBondContact O-ND2 3.13Å; E362-N366 VanDerWaalsContact O-ND2 3.16Å; E362-N366 PolarHBondContact OE1-ND2 3.36Å; F364-N366 VanDerWaalsContact C-N 3.25Å; F364-N366 PolarHBondContact O-N 3.33Å; N366-R549 PolarHBondContact ND2-NH2 3.41Å
367	Y	97.6	Very high	96.9	Very high	21 Å²	21	45.1 Å²	45.1	8%	0.082	25%	0.249	C	C	.	.			trans	-70.2	136.8	-179.9	-177.2	-89.9	0	0	0	111.3	F219 R220 T222 V246 G248 Y340 D363 F364	F219-Y367 WeakPolarHBondContact CA-OH 3.4Å; F219-Y367 PolarHBondContact O-OH 3.24Å; R220-Y367 WeakPolarHBondContact O-CE2 3.45Å; R220-Y367 PolarHBondContact O-OH 3.44Å; T222-Y367 HydrophobicContact CG2-CD2 4.16Å; T222-Y367 HydrophobicContact CG2-CE2 3.96Å; V246-Y367 HydrophobicContact CB-CD2 3.91Å; V246-Y367 HydrophobicContact CG1-CD2 3.81Å; V246-Y367 HydrophobicContact CG1-CG 3.92Å; G248-Y367 WeakPolarHBondContact CA-OH 3.35Å; Y340-Y367 HydrophobicContact CE1-CD1 4.01Å; D363-Y367 PolarHBondContact O-N 3.11Å; D363-Y367 VanDerWaalsContact O-N 3.17Å; F364-Y367 PolarHBondContact O-N 2.83Å
368	S	95.5	Very high	96.8	Very high	74 Å²	74	47.4 Å²	47.4	52%	0.517	26%	0.262	S	S	.	.			trans	-145.2	143.4	172.9	54.9	0	0	0	0	111.4	R551	S368-R551 PolarHBondContact O-NH2 2.93Å
369	T	97.8	Very high	96.6	Very high	16 Å²	16	46 Å²	46	10%	0.098	25%	0.253	C	S	.	.			trans	-70	138.2	170.4	-64.6	0	0	0	0	109.8	I217 D218 F219 S251 G252 Q255	I217-T369 HydrophobicContact CG2-CG2 3.39Å; D218-T369 WeakPolarHBondContact O-CG2 3.35Å; F219-T369 HydrophobicContact CB-CG2 4.16Å; S251-T369 VanDerWaalsContact C-OG1 3.24Å; S251-T369 WeakPolarHBondContact CB-OG1 3.31Å; S251-T369 PolarHBondContact OG-OG1 3.43Å; G252-T369 WeakPolarHBondContact CA-OG1 3.33Å; G252-T369 PolarHBondContact N-OG1 3.44Å; G252-T369 VanDerWaalsContact N-OG1 3.16Å; Q255-T369 HydrophobicContact CB-CG2 4.25Å; Q255-T369 HydrophobicContact CG-CG2 4.29Å
370	V	97.9	Very high	96.3	Very high	32 Å²	32	49.2 Å²	49.2	19%	0.194	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.5	176.8	171.3	0	0	0	0	109.9	D218 Q372 R551	D218-V370 HydrophobicContact CB-CB 4.29Å; D218-V370 PolarHBondContact N-O 2.99Å; D218-V370 PolarHBondContact O-N 2.86Å; V370-Q372 HydrophobicContact CG1-CB 4.44Å; V370-Q372 HydrophobicContact CG1-CG 4.44Å; V370-R551 VanDerWaalsContact CG2-NH1 3.33Å
371	I	98	Very high	96	Very high	71 Å²	71	48.8 Å²	48.8	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.3	172.8	-57.4	160.8	0	0	0	108	R215 V216 Q255 L259	R215-I371 HydrophobicContact CB-CG2 4.42Å; V216-I371 WeakPolarHBondContact O-CA 3.45Å; Q255-I371 HydrophobicContact CG-CD1 3.73Å; Q255-I371 HydrophobicContact CG-CG1 4.08Å; L259-I371 HydrophobicContact CD1-CD1 3.9Å; L259-I371 HydrophobicContact CD1-CG1 4.49Å
372	Q	96	Very high	95.9	Very high	50 Å²	50	45.2 Å²	45.2	23%	0.234	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	165.2	-176.8	58.6	-167	-3.7	0	0	112.5	V216 V370 P388	V216-Q372 HydrophobicContact CB-CG 4.12Å; V216-Q372 HydrophobicContact CG1-CG 4.45Å; V216-Q372 PolarHBondContact N-O 2.85Å; V216-Q372 PolarHBondContact O-N 3.41Å; V370-Q372 HydrophobicContact CG1-CB 4.44Å; V370-Q372 HydrophobicContact CG1-CG 4.44Å; Q372-P388 HydrophobicContact CG-CG 3.8Å
373	Q	97.3	Very high	95.9	Very high	120 Å²	120	41 Å²	41	56%	0.561	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-73.3	148.6	172.3	-66	-61.3	-42.4	0	0	109.9	T214	T214-Q373 PolarHBondContact O-OE1 3.43Å
374	P	97.6	Very high	95.9	Very high	19 Å²	19	40.7 Å²	40.7	12%	0.123	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-70	162.6	173.2	35.5	-40.1	0	0	0	110.8	T214 V216 M385 A386	T214-P374 HydrophobicContact CG2-CB 4.09Å; T214-P374 HydrophobicContact CG2-CG 3.64Å; V216-P374 HydrophobicContact CG2-CB 3.9Å; P374-M385 HydrophobicContact CB-CB 3.99Å; P374-M385 HydrophobicContact CG-CB 4.13Å; P374-M385 HydrophobicContact CG-CG 4.2Å; P374-A386 WeakPolarHBondContact CA-O 3.08Å; P374-A386 VanDerWaalsContact CB-O 3.3Å; P374-A386 WeakPolarHBondContact CB-O 3.24Å
375	V	97.3	Very high	95.9	Very high	15 Å²	15	40.6 Å²	40.6	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	141.3	154.2	-73.8	0	0	0	0	109	M385 A386 P388 V394 I397 L452	V375-M385 WeakPolarHBondContact O-CA 3.48Å; V375-A386 HydrophobicContact CG2-CB 4.26Å; V375-A386 WeakPolarHBondContact CG2-O 3.35Å; V375-A386 PolarHBondContact N-O 2.87Å; V375-A386 PolarHBondContact O-N 3.2Å; V375-P388 HydrophobicContact CG1-CB 3.91Å; V375-V394 HydrophobicContact CG1-CG2 4.2Å; V375-V394 HydrophobicContact CG2-CG2 4.29Å; V375-I397 HydrophobicContact CB-CD1 3.56Å; V375-I397 HydrophobicContact CG2-CD1 3.45Å; V375-I397 VanDerWaalsContact CG2-CD1 3.45Å; V375-L452 HydrophobicContact CB-CD1 4.32Å; V375-L452 HydrophobicContact CB-CD2 4.02Å; V375-L452 HydrophobicContact CG1-CD1 3.75Å; V375-L452 HydrophobicContact CG1-CD2 4.15Å
376	E	95.4	Very high	96	Very high	79 Å²	79	38.1 Å²	38.1	37%	0.369	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.6	-172.3	-177	176.3	170.5	0	0	111.7	H383 I384 M385 R562	E376-H383 HydrophobicContact CG-CB 4.18Å; E376-H383 WeakPolarHBondContact OE1-CB 3.16Å; E376-H383 IonicContact OE1-CE1 3.25Å; E376-H383 IonicContact OE1-CG 3.82Å; E376-H383 IonicContact OE1-ND1 2.81Å; E376-H383 PolarHBondContact OE1-ND1 3.21Å; E376-I384 VanDerWaalsContact CA-O 3.29Å; E376-I384 WeakPolarHBondContact CA-O 3.44Å; E376-M385 HydrophobicContact CB-CG 4.19Å; E376-M385 HydrophobicContact CG-CG 3.86Å; E376-R562 IonicContact OE1-CZ 2.61Å; E376-R562 IonicContact OE1-NE 3.8Å; E376-R562 IonicContact OE1-NH2 3.77Å; E376-R562 PolarHBondContact OE1-NH2 3.24Å
377	I	95.1	Very high	96.1	Very high	13 Å²	13	34.3 Å²	34.3	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.5	167	58.4	171.1	0	0	0	112	H383 I384 I397 L400	I377-H383 CarbonylContact O-C 3.48Å; I377-H383 WeakPolarHBondContact O-CA 3.46Å; I377-I384 HydrophobicContact CG1-CB 4.13Å; I377-I384 PolarHBondContact N-O 3.11Å; I377-I384 VanDerWaalsContact N-O 3.09Å; I377-I384 PolarHBondContact O-N 3.35Å; I377-I397 HydrophobicContact CB-CG2 4.36Å; I377-I397 HydrophobicContact CD1-CB 4.39Å; I377-I397 HydrophobicContact CD1-CG1 4.26Å; I377-I397 HydrophobicContact CD1-CG2 4.16Å; I377-I397 HydrophobicContact CG1-CG1 4.1Å; I377-I397 HydrophobicContact CG1-CG2 4.39Å; I377-I397 HydrophobicContact CG2-CB 4.22Å; I377-I397 HydrophobicContact CG2-CD1 4.21Å; I377-I397 HydrophobicContact CG2-CG1 4.15Å; I377-I397 HydrophobicContact CG2-CG2 3.21Å; I377-L400 HydrophobicContact CD1-CB 3.83Å; I377-L400 HydrophobicContact CD1-CD1 4.4Å
378	T	95	Very high	96.1	Very high	57 Å²	57	34.1 Å²	34.1	35%	0.35	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.2	160.6	-52.7	0	0	0	0	109.8	H382 H383 K454	T378-H382 CarbonylContact C-O 3.58Å; T378-H382 VanDerWaalsContact CA-O 3.27Å; T378-H382 WeakPolarHBondContact CA-O 3.33Å; T378-H383 PolarHBondContact OG1-CE1 3.07Å; T378-K454 PolarHBondContact O-NZ 2.85Å
379	Y	94.1	Very high	96.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	118.5	176.7	179.9	-96.5	0	0	0	109.3	G381 H382 I384 L400 E404 L594 S595	Y379-G381 VanDerWaalsContact C-N 3.28Å; Y379-G381 PolarHBondContact O-N 3.1Å; Y379-G381 VanDerWaalsContact O-N 3.14Å; Y379-H382 PolarHBondContact N-O 2.93Å; Y379-H382 PolarHBondContact O-N 2.77Å; Y379-I384 HydrophobicContact CD1-CD1 3.97Å; Y379-I384 HydrophobicContact CG-CD1 4Å; Y379-L400 HydrophobicContact CD2-CB 4.02Å; Y379-L400 WeakPolarHBondContact CD2-O 3.38Å; Y379-L400 HydrophobicContact CE1-CD2 4.46Å; Y379-L400 HydrophobicContact CE2-CB 4.24Å; Y379-L400 HydrophobicContact CE2-CD2 4.24Å; Y379-L400 VanDerWaalsContact CE2-O 3.27Å; Y379-L400 WeakPolarHBondContact CE2-O 3.21Å; Y379-E404 WeakPolarHBondContact CA-OE1 3.45Å; Y379-E404 HydrophobicContact CD2-CB 3.8Å; Y379-E404 HydrophobicContact CD2-CG 4.01Å; Y379-E404 HydrophobicContact CE2-CB 3.75Å; Y379-E404 HydrophobicContact CE2-CG 4.19Å; Y379-L594 HydrophobicContact CD1-CB 4.42Å; Y379-L594 HydrophobicContact CD1-CD1 4.13Å; Y379-L594 HydrophobicContact CE1-CB 4.29Å; Y379-S595 WeakPolarHBondContact CE1-OG 3.46Å; Y379-S595 PolarHBondContact OH-OG 3.03Å
380	Q	90	Very high	96	Very high	67 Å²	67	30.1 Å²	30.1	31%	0.313	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	45.6	175	-66.4	-72.2	-6	0	0	113.8	H382 E404 N407	Q380-H382 VanDerWaalsContact C-N 3.31Å; Q380-H382 PolarHBondContact O-N 3.02Å; Q380-H382 PolarHBondContact O-ND1 3.1Å; Q380-E404 PolarHBondContact N-OE1 3.19Å; Q380-N407 PolarHBondContact NE2-OD1 3.09Å
381	G	90.8	Very high	95.9	Very high	27 Å²	27	28.6 Å²	28.6	28%	0.278	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	10.5	179.4	0	0	0	0	0	115.7	Y379 A564	Y379-G381 VanDerWaalsContact C-N 3.28Å; Y379-G381 PolarHBondContact O-N 3.1Å; Y379-G381 VanDerWaalsContact O-N 3.14Å; G381-A564 VanDerWaalsContact O-CB 3.24Å; G381-A564 WeakPolarHBondContact O-CB 3.32Å; G381-A564 PolarHBondContact O-N 3.16Å
382	H	95.3	Very high	95.7	Very high	30 Å²	30	25.2 Å²	25.2	14%	0.139	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	148	176.3	-61.1	77	0	0	0	110.3	T378 Y379 Q380 V561 R562 L594	T378-H382 CarbonylContact C-O 3.58Å; T378-H382 VanDerWaalsContact CA-O 3.27Å; T378-H382 WeakPolarHBondContact CA-O 3.33Å; Y379-H382 PolarHBondContact N-O 2.93Å; Y379-H382 PolarHBondContact O-N 2.77Å; Q380-H382 VanDerWaalsContact C-N 3.31Å; Q380-H382 PolarHBondContact O-N 3.02Å; Q380-H382 PolarHBondContact O-ND1 3.1Å; H382-V561 HydrophobicContact CB-CG1 3.75Å; H382-R562 CarbonylContact C-O 3.23Å; H382-R562 WeakPolarHBondContact CA-O 3.21Å; H382-L594 HydrophobicContact CB-CD1 4.4Å
383	H	96.7	Very high	95.8	Very high	29 Å²	29	22.9 Å²	22.9	13%	0.134	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.7	164.6	-65.9	-95.8	0	0	0	109.9	E376 I377 T378 M385 V561 R562 A564	E376-H383 HydrophobicContact CG-CB 4.18Å; E376-H383 WeakPolarHBondContact OE1-CB 3.16Å; E376-H383 IonicContact OE1-CE1 3.25Å; E376-H383 IonicContact OE1-CG 3.82Å; E376-H383 IonicContact OE1-ND1 2.81Å; E376-H383 PolarHBondContact OE1-ND1 3.21Å; I377-H383 CarbonylContact O-C 3.48Å; I377-H383 WeakPolarHBondContact O-CA 3.46Å; T378-H383 PolarHBondContact OG1-CE1 3.07Å; H383-M385 WeakPolarHBondContact O-CE 3.34Å; H383-V561 VanDerWaalsContact O-CA 3.3Å; H383-V561 WeakPolarHBondContact O-CA 3.42Å; H383-R562 HydrophobicContact CB-CG 3.82Å; H383-R562 PolarHBondContact CD2-NH1 3.45Å; H383-R562 PolarHBondContact CD2-NH2 2.94Å; H383-R562 VanDerWaalsContact CG-CZ 3.5Å; H383-R562 PolarHBondContact N-O 2.66Å; H383-R562 PolarHBondContact ND1-NH2 3.38Å; H383-R562 PolarHBondContact NE2-NH2 2.75Å; H383-R562 PolarHBondContact O-N 3.28Å; H383-A564 VanDerWaalsContact CD2-CA 3.49Å; H383-A564 WeakPolarHBondContact CD2-CA 3.42Å
384	I	97.8	Very high	95.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.3	177.5	-58.1	175.9	0	0	0	106.7	E376 I377 Y379 L400 T559 V561 L590 L594	E376-I384 VanDerWaalsContact CA-O 3.29Å; E376-I384 WeakPolarHBondContact CA-O 3.44Å; I377-I384 HydrophobicContact CG1-CB 4.13Å; I377-I384 PolarHBondContact N-O 3.11Å; I377-I384 VanDerWaalsContact N-O 3.09Å; I377-I384 PolarHBondContact O-N 3.35Å; Y379-I384 HydrophobicContact CD1-CD1 3.97Å; Y379-I384 HydrophobicContact CG-CD1 4Å; I384-L400 HydrophobicContact CD1-CD1 3.58Å; I384-L400 HydrophobicContact CG2-CD1 4.25Å; I384-T559 HydrophobicContact CG2-CG2 4.01Å; I384-V561 HydrophobicContact CG1-CG1 4.17Å; I384-V561 HydrophobicContact CG1-CG2 4.09Å; I384-V561 HydrophobicContact CG2-CG2 4.38Å; I384-L590 HydrophobicContact CD1-CD1 4.37Å; I384-L590 HydrophobicContact CG2-CD1 4.05Å; I384-L594 HydrophobicContact CD1-CD1 3.8Å; I384-L594 HydrophobicContact CG1-CD1 4.28Å
385	M	98.4	Very high	95.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.7	-175.7	-63	142.8	-68.2	0	0	109.2	L205 T214 P374 V375 E376 H383 T559 A560 R562	L205-M385 HydrophobicContact CD1-CB 4.39Å; L205-M385 WeakPolarHBondContact CD1-O 3.22Å; T214-M385 HydrophobicContact CG2-CB 4.28Å; T214-M385 HydrophobicContact CG2-SD 4.3Å; T214-M385 PolarHBondContact OG1-SD 2.99Å; P374-M385 HydrophobicContact CB-CB 3.99Å; P374-M385 HydrophobicContact CG-CB 4.13Å; P374-M385 HydrophobicContact CG-CG 4.2Å; V375-M385 WeakPolarHBondContact O-CA 3.48Å; E376-M385 HydrophobicContact CB-CG 4.19Å; E376-M385 HydrophobicContact CG-CG 3.86Å; H383-M385 WeakPolarHBondContact O-CE 3.34Å; M385-T559 WeakPolarHBondContact O-CA 3.45Å; M385-A560 HydrophobicContact CE-CB 4.22Å; M385-A560 WeakPolarHBondContact CE-O 3.49Å; M385-A560 PolarHBondContact N-O 3.4Å; M385-A560 PolarHBondContact O-N 3.49Å; M385-R562 HydrophobicContact CE-CB 4.1Å; M385-R562 HydrophobicContact CE-CG 3.65Å; M385-R562 HydrophobicContact SD-CG 4.35Å
386	A	97.9	Very high	95.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	168.3	179.8	0	0	0	0	0	111.2	P374 V375 L396	P374-A386 WeakPolarHBondContact CA-O 3.08Å; P374-A386 VanDerWaalsContact CB-O 3.3Å; P374-A386 WeakPolarHBondContact CB-O 3.24Å; V375-A386 HydrophobicContact CG2-CB 4.26Å; V375-A386 WeakPolarHBondContact CG2-O 3.35Å; V375-A386 PolarHBondContact N-O 2.87Å; V375-A386 PolarHBondContact O-N 3.2Å; A386-L396 HydrophobicContact CB-CD2 4.5Å
387	A	96.9	Very high	96	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.			trans	-64.7	134.5	176.5	0	0	0	0	0	111.8	V203 V216 H391 G393	V203-A387 HydrophobicContact CG1-CB 3.96Å; V216-A387 HydrophobicContact CG1-CB 4.07Å; A387-H391 HydrophobicContact CB-CB 3.75Å; A387-G393 WeakPolarHBondContact O-CA 3.33Å
388	P	96.8	Very high	96.1	Very high	18 Å²	18	11.2 Å²	11.2	12%	0.117	7%	0.066	C	C	.	.			trans	-72.8	176.1	175	34.7	-38.4	0	0	0	111.3	Q372 V375 H391	Q372-P388 HydrophobicContact CG-CG 3.8Å; V375-P388 HydrophobicContact CG1-CB 3.91Å; P388-H391 WeakPolarHBondContact O-CB 3.42Å; P388-H391 PolarHBondContact O-CD2 2.91Å; P388-H391 PolarHBondContact O-N 2.83Å
389	A	96.3	Very high	96.3	Very high	3 Å²	3	8.5 Å²	8.5	3%	0.025	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	140.4	171.4	0	0	0	0	0	111.1	H391 L435 P438 V444 V448	A389-H391 VanDerWaalsContact C-N 3.32Å; A389-H391 VanDerWaalsContact CA-N 3.31Å; A389-L435 HydrophobicContact CB-CD2 4.5Å; A389-P438 HydrophobicContact CB-CG 4.23Å; A389-V444 HydrophobicContact CB-CG1 4.16Å; A389-V448 HydrophobicContact CB-CG2 3.75Å
390	P	95.3	Very high	96.5	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.019	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	cis	-80.8	5.5	14.3	33.7	-37.4	0	0	0	115.6	G436 R551 M553 S554	P390-G436 WeakPolarHBondContact CA-O 3.47Å; P390-G436 WeakPolarHBondContact CB-O 3.47Å; P390-R551 HydrophobicContact CG-CB 4.02Å; P390-M553 WeakPolarHBondContact O-CA 3.41Å; P390-S554 PolarHBondContact O-N 3.01Å; P390-S554 VanDerWaalsContact O-N 3.09Å
391	H	95.7	Very high	96.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	4%	0.035	C	C	.	.	B	Isolated β-bridge	trans	-84.3	148.1	179.8	-50.2	-71.5	0	0	0	112.5	V203 D218 A387 P388 A389 G393 S554	V203-H391 WeakPolarHBondContact CG2-CE1 3.28Å; V203-H391 WeakPolarHBondContact CG2-NE2 3.48Å; D218-H391 IonicContact OD1-CE1 3.29Å; D218-H391 IonicContact OD1-NE2 3.68Å; D218-H391 PolarHBondContact OD1-NE2 3.37Å; D218-H391 IonicContact OD2-CD2 3.15Å; D218-H391 IonicContact OD2-CE1 2.72Å; D218-H391 IonicContact OD2-NE2 3.73Å; D218-H391 PolarHBondContact OD2-NE2 3.21Å; A387-H391 HydrophobicContact CB-CB 3.75Å; P388-H391 WeakPolarHBondContact O-CB 3.42Å; P388-H391 PolarHBondContact O-CD2 2.91Å; P388-H391 PolarHBondContact O-N 2.83Å; A389-H391 VanDerWaalsContact C-N 3.32Å; A389-H391 VanDerWaalsContact CA-N 3.31Å; H391-G393 PolarHBondContact O-N 2.9Å; H391-G393 VanDerWaalsContact O-N 3.07Å; H391-S554 CarbonylContact C-O 3.53Å; H391-S554 VanDerWaalsContact CA-O 3.31Å; H391-S554 WeakPolarHBondContact CA-O 3.49Å; H391-S554 WeakPolarHBondContact ND1-CB 3.3Å
392	A	95.1	Very high	97.2	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	11.4	-176.9	0	0	0	0	0	114.7	V394 G395 L396 S554 F555	A392-V394 PolarHBondContact O-N 3.4Å; A392-G395 WeakPolarHBondContact O-CA 3.22Å; A392-G395 PolarHBondContact O-N 2.76Å; A392-L396 PolarHBondContact O-N 2.95Å; A392-S554 WeakPolarHBondContact CB-O 3.38Å; A392-S554 PolarHBondContact N-O 2.8Å; A392-F555 HydrophobicContact CB-CD1 3.28Å; A392-F555 HydrophobicContact CB-CE1 3.37Å; A392-F555 HydrophobicContact CB-CG 3.93Å; A392-F555 HydrophobicContact CB-CZ 4.06Å
393	G	96.8	Very high	97.3	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-58.5	-27.7	173.3	0	0	0	0	0	113	A387 H391 G395 L396 I397	A387-G393 WeakPolarHBondContact O-CA 3.33Å; H391-G393 PolarHBondContact O-N 2.9Å; H391-G393 VanDerWaalsContact O-N 3.07Å; G393-G395 VanDerWaalsContact C-N 3.32Å; G393-G395 PolarHBondContact O-N 2.83Å; G393-L396 PolarHBondContact O-N 3.32Å; G393-I397 PolarHBondContact O-N 3.25Å
394	V	97.4	Very high	97.3	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-61.1	-40.2	170.5	-170.5	0	0	0	0	111.4	V375 A392 I397 T398 L435 V448 M451 L452	V375-V394 HydrophobicContact CG1-CG2 4.2Å; V375-V394 HydrophobicContact CG2-CG2 4.29Å; A392-V394 PolarHBondContact O-N 3.4Å; V394-I397 WeakPolarHBondContact O-CB 3.37Å; V394-I397 PolarHBondContact O-N 2.9Å; V394-T398 PolarHBondContact O-N 3.04Å; V394-T398 PolarHBondContact O-OG1 2.92Å; V394-T398 VanDerWaalsContact O-OG1 3.07Å; V394-L435 HydrophobicContact CB-CD1 4.43Å; V394-V448 HydrophobicContact CG1-CB 4.47Å; V394-V448 HydrophobicContact CG1-CG1 4.04Å; V394-V448 HydrophobicContact CG1-CG2 4.41Å; V394-V448 HydrophobicContact CG2-CG1 4.17Å; V394-V448 HydrophobicContact CG2-CG2 4.27Å; V394-M451 HydrophobicContact CB-CE 4.4Å; V394-M451 HydrophobicContact CG1-CB 3.61Å; V394-M451 HydrophobicContact CG1-CE 4.04Å; V394-M451 HydrophobicContact CG1-CG 4.47Å; V394-M451 HydrophobicContact CG1-SD 4.1Å; V394-L452 HydrophobicContact CG1-CD2 3.81Å; V394-L452 HydrophobicContact CG1-CG 4.04Å
395	G	97.7	Very high	97.2	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-66.6	-39.3	177.3	0	0	0	0	0	113.4	A392 G393 I397 T398 A399 A428 S432	A392-G395 WeakPolarHBondContact O-CA 3.22Å; A392-G395 PolarHBondContact O-N 2.76Å; G393-G395 VanDerWaalsContact C-N 3.32Å; G393-G395 PolarHBondContact O-N 2.83Å; G395-I397 VanDerWaalsContact C-N 3.27Å; G395-I397 PolarHBondContact O-N 2.78Å; G395-T398 WeakPolarHBondContact O-CB 3.31Å; G395-T398 PolarHBondContact O-N 3.05Å; G395-T398 VanDerWaalsContact O-N 3.16Å; G395-A399 PolarHBondContact O-N 3.25Å; G395-A428 VanDerWaalsContact O-CB 3.31Å; G395-A428 WeakPolarHBondContact O-CB 3.35Å; G395-S432 WeakPolarHBondContact CA-OG 3.44Å
396	L	98.3	Very high	97	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.2	-45	172.1	169.5	64.8	0	0	0	111	A386 A392 G393 A399 L400 M557 T559 I586 T587 L590	A386-L396 HydrophobicContact CB-CD2 4.5Å; A392-L396 PolarHBondContact O-N 2.95Å; G393-L396 PolarHBondContact O-N 3.32Å; L396-A399 PolarHBondContact O-N 2.99Å; L396-L400 HydrophobicContact CD1-CD1 3.81Å; L396-L400 HydrophobicContact CD1-CG 4.19Å; L396-L400 HydrophobicContact CG-CD1 4Å; L396-L400 VanDerWaalsContact O-CG 3.31Å; L396-L400 WeakPolarHBondContact O-CG 3.27Å; L396-L400 PolarHBondContact O-N 3.44Å; L396-M557 HydrophobicContact CB-SD 3.5Å; L396-M557 WeakPolarHBondContact CB-SD 3.46Å; L396-M557 HydrophobicContact CD2-CG 4.45Å; L396-M557 HydrophobicContact CD2-SD 3.89Å; L396-M557 HydrophobicContact CG-SD 4.27Å; L396-T559 HydrophobicContact CD2-CG2 3.87Å; L396-I586 HydrophobicContact CD1-CB 4.44Å; L396-I586 HydrophobicContact CD1-CG2 3.92Å; L396-I586 HydrophobicContact CD2-CG2 3.66Å; L396-I586 HydrophobicContact CG-CG2 4.47Å; L396-T587 VanDerWaalsContact CD1-OG1 3.29Å; L396-T587 WeakPolarHBondContact CD1-OG1 3.34Å; L396-L590 HydrophobicContact CD1-CD1 4.47Å; L396-L590 HydrophobicContact CD2-CD1 4.35Å
397	I	98.1	Very high	96.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60	-46.1	175.1	-77.2	175.9	0	0	0	111.3	V375 I377 G393 V394 G395 A399 L400 N401 L452	V375-I397 HydrophobicContact CB-CD1 3.56Å; V375-I397 HydrophobicContact CG2-CD1 3.45Å; V375-I397 VanDerWaalsContact CG2-CD1 3.45Å; I377-I397 HydrophobicContact CB-CG2 4.36Å; I377-I397 HydrophobicContact CD1-CB 4.39Å; I377-I397 HydrophobicContact CD1-CG1 4.26Å; I377-I397 HydrophobicContact CD1-CG2 4.16Å; I377-I397 HydrophobicContact CG1-CG1 4.1Å; I377-I397 HydrophobicContact CG1-CG2 4.39Å; I377-I397 HydrophobicContact CG2-CB 4.22Å; I377-I397 HydrophobicContact CG2-CD1 4.21Å; I377-I397 HydrophobicContact CG2-CG1 4.15Å; I377-I397 HydrophobicContact CG2-CG2 3.21Å; G393-I397 PolarHBondContact O-N 3.25Å; V394-I397 WeakPolarHBondContact O-CB 3.37Å; V394-I397 PolarHBondContact O-N 2.9Å; G395-I397 VanDerWaalsContact C-N 3.27Å; G395-I397 PolarHBondContact O-N 2.78Å; I397-A399 PolarHBondContact O-N 2.75Å; I397-L400 PolarHBondContact O-N 3.35Å; I397-N401 WeakPolarHBondContact O-CB 3.04Å; I397-N401 PolarHBondContact O-N 2.91Å; I397-L452 HydrophobicContact CB-CD2 3.93Å; I397-L452 HydrophobicContact CD1-CD2 3.74Å; I397-L452 HydrophobicContact CG1-CD2 4.45Å; I397-L452 HydrophobicContact CG2-CD2 3.4Å; I397-L452 VanDerWaalsContact CG2-CD2 3.4Å
398	T	98.3	Very high	96.5	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-58.4	-47.6	178	-54.1	0	0	0	0	111.6	V394 G395 L400 N401 I402 L431 M451	V394-T398 PolarHBondContact O-N 3.04Å; V394-T398 PolarHBondContact O-OG1 2.92Å; V394-T398 VanDerWaalsContact O-OG1 3.07Å; G395-T398 WeakPolarHBondContact O-CB 3.31Å; G395-T398 PolarHBondContact O-N 3.05Å; G395-T398 VanDerWaalsContact O-N 3.16Å; T398-L400 VanDerWaalsContact C-N 3.33Å; T398-L400 PolarHBondContact O-N 2.94Å; T398-N401 PolarHBondContact O-N 3.14Å; T398-I402 HydrophobicContact CG2-CD1 4.1Å; T398-I402 WeakPolarHBondContact O-CG1 3.36Å; T398-I402 PolarHBondContact O-N 3.17Å; T398-L431 HydrophobicContact CG2-CD1 3.96Å; T398-M451 WeakPolarHBondContact OG1-CB 3.37Å; T398-M451 PolarHBondContact OG1-O 3.14Å
399	A	98.5	Very high	96.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57.9	-46.1	177.9	0	0	0	0	0	111.5	G395 L396 I397 I402 L403 A428 L583 T587	G395-A399 PolarHBondContact O-N 3.25Å; L396-A399 PolarHBondContact O-N 2.99Å; I397-A399 PolarHBondContact O-N 2.75Å; A399-I402 PolarHBondContact O-N 3.12Å; A399-L403 WeakPolarHBondContact O-CB 3.48Å; A399-L403 VanDerWaalsContact O-CG 3.24Å; A399-L403 WeakPolarHBondContact O-CG 3.21Å; A399-L403 PolarHBondContact O-N 3.19Å; A399-A428 HydrophobicContact CB-CB 3.79Å; A399-L583 HydrophobicContact CB-CD2 4.49Å; A399-T587 HydrophobicContact CB-CG2 4.15Å
400	L	98.3	Very high	95.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68	-38.9	-180	-68.4	170.3	0	0	0	112.6	I377 Y379 I384 L396 I397 T398 I402 L403 E404 T587 L590	I377-L400 HydrophobicContact CD1-CB 3.83Å; I377-L400 HydrophobicContact CD1-CD1 4.4Å; Y379-L400 HydrophobicContact CD2-CB 4.02Å; Y379-L400 WeakPolarHBondContact CD2-O 3.38Å; Y379-L400 HydrophobicContact CE1-CD2 4.46Å; Y379-L400 HydrophobicContact CE2-CB 4.24Å; Y379-L400 HydrophobicContact CE2-CD2 4.24Å; Y379-L400 VanDerWaalsContact CE2-O 3.27Å; Y379-L400 WeakPolarHBondContact CE2-O 3.21Å; I384-L400 HydrophobicContact CD1-CD1 3.58Å; I384-L400 HydrophobicContact CG2-CD1 4.25Å; L396-L400 HydrophobicContact CD1-CD1 3.81Å; L396-L400 HydrophobicContact CD1-CG 4.19Å; L396-L400 HydrophobicContact CG-CD1 4Å; L396-L400 VanDerWaalsContact O-CG 3.31Å; L396-L400 WeakPolarHBondContact O-CG 3.27Å; L396-L400 PolarHBondContact O-N 3.44Å; I397-L400 PolarHBondContact O-N 3.35Å; T398-L400 VanDerWaalsContact C-N 3.33Å; T398-L400 PolarHBondContact O-N 2.94Å; L400-I402 PolarHBondContact O-N 2.82Å; L400-L403 PolarHBondContact O-N 3.09Å; L400-E404 WeakPolarHBondContact O-CB 3.32Å; L400-E404 PolarHBondContact O-N 2.6Å; L400-T587 HydrophobicContact CD2-CG2 4.18Å; L400-L590 HydrophobicContact CD1-CD1 4.21Å
401	N	97.8	Very high	95.5	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-39.5	174.4	-83.8	-23	0	0	0	112.2	I397 T398 L452 A457	I397-N401 WeakPolarHBondContact O-CB 3.04Å; I397-N401 PolarHBondContact O-N 2.91Å; T398-N401 PolarHBondContact O-N 3.14Å; N401-L452 PolarHBondContact ND2-O 2.98Å; N401-A457 HydrophobicContact CB-CB 3.58Å
402	I	98.2	Very high	95.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-50.8	174.3	-67.7	167.1	0	0	0	109.2	T398 A399 L400 E404 G405 A424 I427 A457 L460 R461 I464	T398-I402 HydrophobicContact CG2-CD1 4.1Å; T398-I402 WeakPolarHBondContact O-CG1 3.36Å; T398-I402 PolarHBondContact O-N 3.17Å; A399-I402 PolarHBondContact O-N 3.12Å; L400-I402 PolarHBondContact O-N 2.82Å; I402-E404 VanDerWaalsContact C-N 3.32Å; I402-E404 PolarHBondContact O-N 2.84Å; I402-G405 PolarHBondContact O-N 3.46Å; I402-A424 HydrophobicContact CB-CB 4.17Å; I402-A424 HydrophobicContact CG2-CB 3.78Å; I402-I427 HydrophobicContact CD1-CB 4.17Å; I402-I427 HydrophobicContact CD1-CD1 4.28Å; I402-I427 HydrophobicContact CD1-CG2 3.78Å; I402-A457 HydrophobicContact CG1-CB 3.93Å; I402-L460 HydrophobicContact CD1-CB 4.12Å; I402-L460 HydrophobicContact CD1-CD1 4.23Å; I402-L460 HydrophobicContact CG1-CB 4.32Å; I402-R461 HydrophobicContact CG2-CB 4.2Å; I402-I464 HydrophobicContact CG2-CD1 3.86Å
403	L	97.6	Very high	95.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-29.9	-176.6	-70.8	170.2	0	0	0	113.8	A399 L400 G405 Y406 I408 W420 I421 A424 T587	A399-L403 WeakPolarHBondContact O-CB 3.48Å; A399-L403 VanDerWaalsContact O-CG 3.24Å; A399-L403 WeakPolarHBondContact O-CG 3.21Å; A399-L403 PolarHBondContact O-N 3.19Å; L400-L403 PolarHBondContact O-N 3.09Å; L403-G405 PolarHBondContact O-N 2.77Å; L403-Y406 PolarHBondContact O-N 3.34Å; L403-I408 HydrophobicContact CB-CD1 4.45Å; L403-I408 HydrophobicContact CD2-CD1 4.01Å; L403-W420 HydrophobicContact CD2-CB 4.08Å; L403-I421 HydrophobicContact CD1-CG1 4.42Å; L403-I421 HydrophobicContact CD2-CG1 4.26Å; L403-A424 HydrophobicContact CD1-CB 4.33Å; L403-A424 HydrophobicContact CD2-CB 3.88Å; L403-A424 HydrophobicContact CG-CB 3.8Å; L403-T587 HydrophobicContact CD1-CG2 3.71Å
404	E	95.8	Very high	94.7	Very high	46 Å²	46	38 Å²	38	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-57.1	-38.3	-179.5	-168.2	179.3	-145.7	0	0	111.9	Y379 Q380 L400 I402 Y406 N407 K454	Y379-E404 WeakPolarHBondContact CA-OE1 3.45Å; Y379-E404 HydrophobicContact CD2-CB 3.8Å; Y379-E404 HydrophobicContact CD2-CG 4.01Å; Y379-E404 HydrophobicContact CE2-CB 3.75Å; Y379-E404 HydrophobicContact CE2-CG 4.19Å; Q380-E404 PolarHBondContact N-OE1 3.19Å; L400-E404 WeakPolarHBondContact O-CB 3.32Å; L400-E404 PolarHBondContact O-N 2.6Å; I402-E404 VanDerWaalsContact C-N 3.32Å; I402-E404 PolarHBondContact O-N 2.84Å; E404-Y406 PolarHBondContact O-N 3.46Å; E404-N407 PolarHBondContact O-N 3.5Å; E404-N407 VanDerWaalsContact O-N 3.07Å; E404-K454 IonicContact OE1-NZ 3.57Å; E404-K454 PolarHBondContact OE1-NZ 2.9Å; E404-K454 IonicContact OE2-NZ 2.89Å; E404-K454 PolarHBondContact OE2-NZ 3.06Å
405	G	95.1	Very high	94.4	Very high	44 Å²	44	39.3 Å²	39.3	45%	0.454	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.3	-177	0	0	0	0	0	115.6	I402 L403 N407	I402-G405 PolarHBondContact O-N 3.46Å; L403-G405 PolarHBondContact O-N 2.77Å; G405-N407 VanDerWaalsContact C-N 3.27Å
406	Y	95.4	Very high	94.3	Very high	38 Å²	38	40.4 Å²	40.4	15%	0.149	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.7	172.5	-69.2	-73.9	0	0	0	113	L403 E404 I408 W420 R461 I464	L403-Y406 PolarHBondContact O-N 3.34Å; E404-Y406 PolarHBondContact O-N 3.46Å; Y406-I408 VanDerWaalsContact C-N 3.29Å; Y406-I408 PolarHBondContact O-N 2.92Å; Y406-W420 AromaticContact CD1-CD2 3.63Å; Y406-W420 HydrophobicContact CD1-CD2 3.63Å; Y406-W420 AromaticContact CD1-CE2 3.51Å; Y406-W420 AromaticContact CD1-CE3 3.83Å; Y406-W420 HydrophobicContact CD1-CE3 3.83Å; Y406-W420 HydrophobicContact CD1-CG 4.2Å; Y406-W420 AromaticContact CD1-CH2 3.86Å; Y406-W420 HydrophobicContact CD1-CH2 3.86Å; Y406-W420 AromaticContact CD1-CZ2 3.66Å; Y406-W420 HydrophobicContact CD1-CZ2 3.66Å; Y406-W420 AromaticContact CD1-CZ3 3.92Å; Y406-W420 HydrophobicContact CD1-CZ3 3.92Å; Y406-W420 AromaticContact CD1-NE1 3.97Å; Y406-W420 HydrophobicContact CD2-CB 4.24Å; Y406-W420 HydrophobicContact CD2-CD2 4.18Å; Y406-W420 HydrophobicContact CD2-CE3 4.3Å; Y406-W420 HydrophobicContact CD2-CG 4.16Å; Y406-W420 AromaticContact CE1-CD1 3.75Å; Y406-W420 AromaticContact CE1-CD2 3.83Å; Y406-W420 HydrophobicContact CE1-CD2 3.83Å; Y406-W420 AromaticContact CE1-CE2 3.5Å; Y406-W420 VanDerWaalsContact CE1-CE2 3.5Å; Y406-W420 HydrophobicContact CE1-CE3 4.49Å; Y406-W420 HydrophobicContact CE1-CG 4.01Å; Y406-W420 AromaticContact CE1-CZ2 3.94Å; Y406-W420 HydrophobicContact CE1-CZ2 3.94Å; Y406-W420 AromaticContact CE1-NE1 3.44Å; Y406-W420 HydrophobicContact CE2-CB 4.08Å; Y406-W420 HydrophobicContact CE2-CD2 4.35Å; Y406-W420 AromaticContact CE2-CG 3.95Å; Y406-W420 HydrophobicContact CE2-CG 3.95Å; Y406-W420 AromaticContact CG-CD2 3.81Å; Y406-W420 HydrophobicContact CG-CD2 3.81Å; Y406-W420 AromaticContact CG-CE3 3.72Å; Y406-W420 HydrophobicContact CG-CE3 3.72Å; Y406-W420 HydrophobicContact CG-CG 4.26Å; Y406-W420 HydrophobicContact CG-CH2 4.41Å; Y406-W420 HydrophobicContact CG-CZ3 4.01Å; Y406-W420 AromaticContact CZ-CD1 3.62Å; Y406-W420 AromaticContact CZ-CG 3.87Å; Y406-W420 AromaticContact CZ-NE1 3.81Å; Y406-R461 HydrophobicContact CD2-CG 4.35Å; Y406-R461 HydrophobicContact CE1-CG 4.24Å; Y406-R461 HydrophobicContact CE2-CG 3.58Å; Y406-R461 WeakPolarHBondContact OH-CG 3.28Å; Y406-I464 WeakPolarHBondContact OH-CB 3.36Å; Y406-I464 WeakPolarHBondContact OH-CG2 3.35Å
407	N	91.9	Very high	94.1	Very high	101 Å²	101	40.9 Å²	40.9	54%	0.54	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	51.6	-177.6	-165.2	30	0	0	0	112.5	Q380 E404 G405 T409	Q380-N407 PolarHBondContact NE2-OD1 3.09Å; E404-N407 PolarHBondContact O-N 3.5Å; E404-N407 VanDerWaalsContact O-N 3.07Å; G405-N407 VanDerWaalsContact C-N 3.27Å; N407-T409 PolarHBondContact O-N 3.21Å
408	I	92.6	Very high	94	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.228	C	C	.	.			trans	-61.4	120.9	-175.9	-66	160.5	0	0	0	109.6	L403 Y406 T417 W420 M591 S595 L596	L403-I408 HydrophobicContact CB-CD1 4.45Å; L403-I408 HydrophobicContact CD2-CD1 4.01Å; Y406-I408 VanDerWaalsContact C-N 3.29Å; Y406-I408 PolarHBondContact O-N 2.92Å; I408-T417 HydrophobicContact CD1-CG2 4.43Å; I408-T417 HydrophobicContact CG2-CG2 3.91Å; I408-W420 HydrophobicContact CD1-CE3 4.27Å; I408-W420 HydrophobicContact CG1-CE3 4.1Å; I408-W420 HydrophobicContact CG1-CZ3 4.21Å; I408-M591 HydrophobicContact CD1-SD 3.98Å; I408-M591 HydrophobicContact CG2-SD 4.29Å; I408-S595 WeakPolarHBondContact O-CB 3.45Å; I408-L596 HydrophobicContact CG2-CD2 3.92Å
409	T	90.9	Very high	94	Very high	50 Å²	50	42.4 Å²	42.4	31%	0.307	23%	0.227	S	C	.	.			trans	-133	174.4	174.1	64.3	0	0	0	0	109.5	N407 Q411 V412	N407-T409 PolarHBondContact O-N 3.21Å; T409-Q411 PolarHBondContact O-N 3.27Å; T409-Q411 PolarHBondContact OG1-N 3.36Å; T409-V412 PolarHBondContact O-N 2.94Å
410	N	86.8	Confident	94	Very high	103 Å²	103	43.6 Å²	43.6	55%	0.551	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-10.2	176.2	-69.6	-50	0	0	0	114.5	L596	N410-L596 PolarHBondContact ND2-O 2.87Å; N410-L596 PolarHBondContact OD1-O 2.63Å
411	Q	88.3	Confident	94	Very high	182 Å²	182	43.6 Å²	43.6	85%	0.85	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-17.6	177.2	-63.1	179.5	-9.8	0	0	113	T409	T409-Q411 PolarHBondContact O-N 3.27Å; T409-Q411 PolarHBondContact OG1-N 3.36Å
412	V	91.6	Very high	94	Very high	31 Å²	31	43.4 Å²	43.4	19%	0.188	23%	0.231	C	C	.	.	S	Bend	trans	-74.5	135.7	-179.7	177.1	0	0	0	0	109.4	T409 R414 T417 W420	T409-V412 PolarHBondContact O-N 2.94Å; V412-R414 PolarHBondContact O-N 2.91Å; V412-T417 WeakPolarHBondContact CG1-OG1 3.33Å; V412-W420 HydrophobicContact CG1-CE3 4.49Å; V412-W420 HydrophobicContact CG1-CH2 3.96Å; V412-W420 HydrophobicContact CG1-CZ3 3.52Å
413	P	91.8	Very high	94	Very high	77 Å²	77	43.4 Å²	43.4	50%	0.5	23%	0.231	S	C	.	.			trans	-55.2	136.8	175.6	-26	34.8	0	0	0	112.4	S415 S416 T417	P413-S415 VanDerWaalsContact C-N 3.28Å; P413-S415 PolarHBondContact O-N 2.69Å; P413-S416 PolarHBondContact O-N 3.13Å; P413-T417 PolarHBondContact O-N 2.87Å; P413-T417 PolarHBondContact O-OG1 3.17Å
414	R	89.3	Confident	94	Very high	119 Å²	119	43.4 Å²	43.4	45%	0.449	23%	0.231	S	C	.	.	H	α-helix	trans	-59.5	-38.8	178.4	-69	-179.2	68.2	-163.4	-5.9	112.1	V412 S416 T417 Y418 L625 D628	V412-R414 PolarHBondContact O-N 2.91Å; R414-S416 PolarHBondContact O-N 3.17Å; R414-T417 WeakPolarHBondContact O-CB 3.24Å; R414-T417 PolarHBondContact O-N 3Å; R414-Y418 HydrophobicContact CB-CD2 4.33Å; R414-Y418 HydrophobicContact CB-CE2 4.07Å; R414-Y418 PolarHBondContact NH2-OH 2.73Å; R414-Y418 WeakPolarHBondContact O-CD2 3.45Å; R414-Y418 PolarHBondContact O-N 3.19Å; R414-L625 VanDerWaalsContact NH1-CD1 3.31Å; R414-D628 IonicContact CZ-OD1 2.71Å; R414-D628 IonicContact CZ-OD2 3.09Å; R414-D628 IonicContact NE-OD2 3.46Å; R414-D628 IonicContact NH1-OD2 3.9Å; R414-D628 IonicContact NH2-OD2 2.8Å; R414-D628 PolarHBondContact NH2-OD2 3.08Å
415	S	90.1	Very high	94.1	Very high	27 Å²	27	41.2 Å²	41.2	19%	0.189	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-42.9	177.4	54.7	0	0	0	0	113.5	P413 H419	P413-S415 VanDerWaalsContact C-N 3.28Å; P413-S415 PolarHBondContact O-N 2.69Å; S415-H419 WeakPolarHBondContact O-CB 3.37Å; S415-H419 PolarHBondContact O-N 3.46Å
416	S	94.8	Very high	94.2	Very high	23 Å²	23	39.6 Å²	39.6	16%	0.161	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-43.8	174.5	-58.7	0	0	0	0	110.8	P413 R414 Y418 H419 W420	P413-S416 PolarHBondContact O-N 3.13Å; R414-S416 PolarHBondContact O-N 3.17Å; S416-Y418 PolarHBondContact O-N 3.14Å; S416-H419 PolarHBondContact O-N 3.49Å; S416-W420 VanDerWaalsContact O-CD2 3.23Å; S416-W420 PolarHBondContact O-N 2.88Å
417	T	95.4	Very high	94.4	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.067	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-51.3	-179.4	-56.6	0	0	0	0	111.7	I408 V412 P413 R414 H419 W420 I421 M591	I408-T417 HydrophobicContact CD1-CG2 4.43Å; I408-T417 HydrophobicContact CG2-CG2 3.91Å; V412-T417 WeakPolarHBondContact CG1-OG1 3.33Å; P413-T417 PolarHBondContact O-N 2.87Å; P413-T417 PolarHBondContact O-OG1 3.17Å; R414-T417 WeakPolarHBondContact O-CB 3.24Å; R414-T417 PolarHBondContact O-N 3Å; T417-H419 VanDerWaalsContact C-N 3.33Å; T417-H419 PolarHBondContact O-N 3.09Å; T417-W420 PolarHBondContact O-N 2.94Å; T417-I421 HydrophobicContact CG2-CD1 3.94Å; T417-I421 WeakPolarHBondContact O-CD1 3.21Å; T417-I421 VanDerWaalsContact O-CG1 3.22Å; T417-I421 WeakPolarHBondContact O-CG1 3.21Å; T417-I421 PolarHBondContact O-N 3.1Å; T417-M591 HydrophobicContact CG2-CE 4.06Å; T417-M591 HydrophobicContact CG2-SD 4.09Å
418	Y	96.3	Very high	94.6	Very high	32 Å²	32	33 Å²	33	13%	0.125	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-37.6	178.7	-68.6	-52.7	0	0	0	112.8	R414 S416 I421 A422 L609 F624 D628	R414-Y418 HydrophobicContact CB-CD2 4.33Å; R414-Y418 HydrophobicContact CB-CE2 4.07Å; R414-Y418 PolarHBondContact NH2-OH 2.73Å; R414-Y418 WeakPolarHBondContact O-CD2 3.45Å; R414-Y418 PolarHBondContact O-N 3.19Å; S416-Y418 PolarHBondContact O-N 3.14Å; Y418-I421 HydrophobicContact CD1-CD1 4.31Å; Y418-I421 PolarHBondContact O-N 2.9Å; Y418-A422 WeakPolarHBondContact O-CB 3.3Å; Y418-A422 PolarHBondContact O-N 3.34Å; Y418-L609 HydrophobicContact CD1-CD2 4.05Å; Y418-L609 HydrophobicContact CG-CD2 4.44Å; Y418-L609 WeakPolarHBondContact O-CD2 3.43Å; Y418-F624 AromaticContact CD1-CE2 3.99Å; Y418-F624 HydrophobicContact CD1-CE2 3.99Å; Y418-F624 AromaticContact CD1-CZ 3.64Å; Y418-F624 HydrophobicContact CD1-CZ 3.64Å; Y418-F624 HydrophobicContact CD2-CE1 4.37Å; Y418-F624 AromaticContact CD2-CZ 3.85Å; Y418-F624 HydrophobicContact CD2-CZ 3.85Å; Y418-F624 AromaticContact CE1-CE2 3.79Å; Y418-F624 HydrophobicContact CE1-CE2 3.79Å; Y418-F624 AromaticContact CE1-CZ 3.76Å; Y418-F624 HydrophobicContact CE1-CZ 3.76Å; Y418-F624 HydrophobicContact CE2-CE1 4.47Å; Y418-F624 AromaticContact CE2-CZ 3.97Å; Y418-F624 HydrophobicContact CE2-CZ 3.97Å; Y418-F624 HydrophobicContact CG-CE2 4.49Å; Y418-F624 AromaticContact CG-CZ 3.7Å; Y418-F624 HydrophobicContact CG-CZ 3.7Å; Y418-F624 AromaticContact CZ-CZ 3.93Å; Y418-D628 HydrophobicContact CD2-CB 4.13Å; Y418-D628 HydrophobicContact CE2-CB 3.99Å
419	H	97.6	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-47.2	175	172.1	81	0	0	0	111.7	S415 S416 T417 I421 A422 E423 N465 L632 K635 H637	S415-H419 WeakPolarHBondContact O-CB 3.37Å; S415-H419 PolarHBondContact O-N 3.46Å; S416-H419 PolarHBondContact O-N 3.49Å; T417-H419 VanDerWaalsContact C-N 3.33Å; T417-H419 PolarHBondContact O-N 3.09Å; H419-I421 VanDerWaalsContact C-N 3.35Å; H419-I421 PolarHBondContact O-N 3.48Å; H419-A422 PolarHBondContact O-N 2.97Å; H419-E423 PolarHBondContact O-N 3.03Å; H419-N465 PolarHBondContact NE2-O 3.07Å; H419-L632 HydrophobicContact CB-CD2 4.34Å; H419-K635 HydrophobicContact CB-CD 3.57Å; H419-H637 AromaticContact CE1-NE2 3.9Å; H419-H637 AromaticContact CG-NE2 4Å; H419-H637 AromaticContact ND1-CD2 3.84Å; H419-H637 AromaticContact ND1-NE2 3.1Å; H419-H637 PolarHBondContact ND1-NE2 2.92Å; H419-H637 VanDerWaalsContact ND1-NE2 3.1Å
420	W	98.1	Very high	95	Very high	25 Å²	25	30.7 Å²	30.7	10%	0.095	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-37.9	177.9	-60.3	-35	0	0	0	112.5	L403 Y406 I408 V412 S416 T417 A424 D466	L403-W420 HydrophobicContact CD2-CB 4.08Å; Y406-W420 AromaticContact CD1-CD2 3.63Å; Y406-W420 HydrophobicContact CD1-CD2 3.63Å; Y406-W420 AromaticContact CD1-CE2 3.51Å; Y406-W420 AromaticContact CD1-CE3 3.83Å; Y406-W420 HydrophobicContact CD1-CE3 3.83Å; Y406-W420 HydrophobicContact CD1-CG 4.2Å; Y406-W420 AromaticContact CD1-CH2 3.86Å; Y406-W420 HydrophobicContact CD1-CH2 3.86Å; Y406-W420 AromaticContact CD1-CZ2 3.66Å; Y406-W420 HydrophobicContact CD1-CZ2 3.66Å; Y406-W420 AromaticContact CD1-CZ3 3.92Å; Y406-W420 HydrophobicContact CD1-CZ3 3.92Å; Y406-W420 AromaticContact CD1-NE1 3.97Å; Y406-W420 HydrophobicContact CD2-CB 4.24Å; Y406-W420 HydrophobicContact CD2-CD2 4.18Å; Y406-W420 HydrophobicContact CD2-CE3 4.3Å; Y406-W420 HydrophobicContact CD2-CG 4.16Å; Y406-W420 AromaticContact CE1-CD1 3.75Å; Y406-W420 AromaticContact CE1-CD2 3.83Å; Y406-W420 HydrophobicContact CE1-CD2 3.83Å; Y406-W420 AromaticContact CE1-CE2 3.5Å; Y406-W420 VanDerWaalsContact CE1-CE2 3.5Å; Y406-W420 HydrophobicContact CE1-CE3 4.49Å; Y406-W420 HydrophobicContact CE1-CG 4.01Å; Y406-W420 AromaticContact CE1-CZ2 3.94Å; Y406-W420 HydrophobicContact CE1-CZ2 3.94Å; Y406-W420 AromaticContact CE1-NE1 3.44Å; Y406-W420 HydrophobicContact CE2-CB 4.08Å; Y406-W420 HydrophobicContact CE2-CD2 4.35Å; Y406-W420 AromaticContact CE2-CG 3.95Å; Y406-W420 HydrophobicContact CE2-CG 3.95Å; Y406-W420 AromaticContact CG-CD2 3.81Å; Y406-W420 HydrophobicContact CG-CD2 3.81Å; Y406-W420 AromaticContact CG-CE3 3.72Å; Y406-W420 HydrophobicContact CG-CE3 3.72Å; Y406-W420 HydrophobicContact CG-CG 4.26Å; Y406-W420 HydrophobicContact CG-CH2 4.41Å; Y406-W420 HydrophobicContact CG-CZ3 4.01Å; Y406-W420 AromaticContact CZ-CD1 3.62Å; Y406-W420 AromaticContact CZ-CG 3.87Å; Y406-W420 AromaticContact CZ-NE1 3.81Å; I408-W420 HydrophobicContact CD1-CE3 4.27Å; I408-W420 HydrophobicContact CG1-CE3 4.1Å; I408-W420 HydrophobicContact CG1-CZ3 4.21Å; V412-W420 HydrophobicContact CG1-CE3 4.49Å; V412-W420 HydrophobicContact CG1-CH2 3.96Å; V412-W420 HydrophobicContact CG1-CZ3 3.52Å; S416-W420 VanDerWaalsContact O-CD2 3.23Å; S416-W420 PolarHBondContact O-N 2.88Å; T417-W420 PolarHBondContact O-N 2.94Å; W420-A424 WeakPolarHBondContact O-CB 3.47Å; W420-A424 PolarHBondContact O-N 3.24Å; W420-D466 PolarHBondContact NE1-OD1 3.25Å
421	I	97.9	Very high	95.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-47.3	173.3	-63.9	163	0	0	0	110	L403 T417 Y418 H419 E423 A424 V425 Q588 M591 L609	L403-I421 HydrophobicContact CD1-CG1 4.42Å; L403-I421 HydrophobicContact CD2-CG1 4.26Å; T417-I421 HydrophobicContact CG2-CD1 3.94Å; T417-I421 WeakPolarHBondContact O-CD1 3.21Å; T417-I421 VanDerWaalsContact O-CG1 3.22Å; T417-I421 WeakPolarHBondContact O-CG1 3.21Å; T417-I421 PolarHBondContact O-N 3.1Å; Y418-I421 HydrophobicContact CD1-CD1 4.31Å; Y418-I421 PolarHBondContact O-N 2.9Å; H419-I421 VanDerWaalsContact C-N 3.35Å; H419-I421 PolarHBondContact O-N 3.48Å; I421-E423 PolarHBondContact O-N 3.26Å; I421-A424 PolarHBondContact O-N 3.48Å; I421-V425 HydrophobicContact CG2-CG2 4.02Å; I421-V425 VanDerWaalsContact O-CB 3.24Å; I421-V425 WeakPolarHBondContact O-CB 3.26Å; I421-V425 WeakPolarHBondContact O-CG2 3.49Å; I421-V425 PolarHBondContact O-N 2.89Å; I421-Q588 HydrophobicContact CD1-CG 4.47Å; I421-Q588 HydrophobicContact CG2-CG 3.77Å; I421-M591 HydrophobicContact CD1-CE 3.33Å; I421-M591 HydrophobicContact CD1-SD 3.55Å; I421-M591 VanDerWaalsContact CD1-SD 3.55Å; I421-M591 HydrophobicContact CG1-CE 4.26Å; I421-M591 HydrophobicContact CG1-SD 3.8Å; I421-L609 HydrophobicContact CG2-CD1 3.81Å; I421-L609 HydrophobicContact CG2-CG 4.37Å
422	A	98.1	Very high	95.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.2	-47.4	-179.5	0	0	0	0	0	111.6	Y418 H419 K426 L609 P611 L618	Y418-A422 WeakPolarHBondContact O-CB 3.3Å; Y418-A422 PolarHBondContact O-N 3.34Å; H419-A422 PolarHBondContact O-N 2.97Å; A422-K426 WeakPolarHBondContact O-CB 3.42Å; A422-K426 PolarHBondContact O-N 3.42Å; A422-L609 HydrophobicContact CB-CD1 4.08Å; A422-L609 HydrophobicContact CB-CD2 4.32Å; A422-P611 WeakPolarHBondContact O-CG 3.14Å; A422-L618 HydrophobicContact CB-CD1 3.94Å; A422-L618 HydrophobicContact CB-CD2 4.07Å
423	E	98.3	Very high	95.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-70.2	-41.7	179	-62.9	-58.7	96.3	0	0	112.2	H419 I421 K426 I427 I464 F470 Y475 H637	H419-E423 PolarHBondContact O-N 3.03Å; I421-E423 PolarHBondContact O-N 3.26Å; E423-K426 WeakPolarHBondContact O-CB 3.27Å; E423-K426 PolarHBondContact O-N 3.46Å; E423-K426 WeakPolarHBondContact OE1-CE 3.21Å; E423-K426 IonicContact OE1-NZ 3.5Å; E423-K426 PolarHBondContact OE1-NZ 3.4Å; E423-K426 IonicContact OE2-NZ 2.76Å; E423-I427 VanDerWaalsContact O-CG1 3.27Å; E423-I427 WeakPolarHBondContact O-CG1 3.35Å; E423-I427 PolarHBondContact O-N 3.06Å; E423-I464 HydrophobicContact CB-CD1 4.02Å; E423-I464 HydrophobicContact CB-CG1 4.1Å; E423-I464 HydrophobicContact CB-CG2 3.99Å; E423-I464 HydrophobicContact CG-CG2 4.12Å; E423-F470 PolarHBondContact OE2-N 2.71Å; E423-F470 VanDerWaalsContact OE2-N 3.16Å; E423-Y475 WeakPolarHBondContact OE2-CE2 3.41Å; E423-Y475 VanDerWaalsContact OE2-CZ 3.32Å; E423-Y475 PolarHBondContact OE2-OH 3.18Å; E423-H637 IonicContact OE1-CE1 3.83Å; E423-H637 PolarHBondContact OE1-CE1 3.36Å; E423-H637 IonicContact OE1-ND1 2.73Å
424	A	98.3	Very high	96	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.4	-42.4	179.2	0	0	0	0	0	112.6	I402 L403 W420 I421 I427 A428	I402-A424 HydrophobicContact CB-CB 4.17Å; I402-A424 HydrophobicContact CG2-CB 3.78Å; L403-A424 HydrophobicContact CD1-CB 4.33Å; L403-A424 HydrophobicContact CD2-CB 3.88Å; L403-A424 HydrophobicContact CG-CB 3.8Å; W420-A424 WeakPolarHBondContact O-CB 3.47Å; W420-A424 PolarHBondContact O-N 3.24Å; I421-A424 PolarHBondContact O-N 3.48Å; A424-I427 PolarHBondContact O-N 3.26Å; A424-A428 WeakPolarHBondContact O-CB 3.29Å; A424-A428 PolarHBondContact O-N 3.02Å
425	V	98.1	Very high	96.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.7	-38.6	175.5	169.8	0	0	0	0	110.6	I421 A428 L429 L583 S584 T587 P611	I421-V425 HydrophobicContact CG2-CG2 4.02Å; I421-V425 VanDerWaalsContact O-CB 3.24Å; I421-V425 WeakPolarHBondContact O-CB 3.26Å; I421-V425 WeakPolarHBondContact O-CG2 3.49Å; I421-V425 PolarHBondContact O-N 2.89Å; V425-A428 PolarHBondContact O-N 3.14Å; V425-L429 HydrophobicContact CG1-CD1 3.87Å; V425-L429 HydrophobicContact CG1-CG 4.29Å; V425-L429 WeakPolarHBondContact O-CB 3.23Å; V425-L429 VanDerWaalsContact O-CG 3.29Å; V425-L429 WeakPolarHBondContact O-CG 3.25Å; V425-L429 PolarHBondContact O-N 2.76Å; V425-L583 HydrophobicContact CB-CD2 4.45Å; V425-L583 HydrophobicContact CG1-CD2 3.9Å; V425-L583 HydrophobicContact CG2-CD2 4.35Å; V425-S584 WeakPolarHBondContact CG1-OG 3.33Å; V425-T587 HydrophobicContact CG2-CG2 4.16Å; V425-P611 HydrophobicContact CB-CG 4.29Å; V425-P611 HydrophobicContact CG1-CG 4.08Å
426	K	97.6	Very high	96.5	Very high	10 Å²	10	7 Å²	7	4%	0.043	4%	0.037	C	C	.	.	H	α-helix	trans	-59.1	-46.9	174.9	-178.3	-173.3	-66.8	169.4	0	111.1	A422 E423 L429 A430 F470 V472 Y475 P611 L613	A422-K426 WeakPolarHBondContact O-CB 3.42Å; A422-K426 PolarHBondContact O-N 3.42Å; E423-K426 WeakPolarHBondContact O-CB 3.27Å; E423-K426 PolarHBondContact O-N 3.46Å; E423-K426 WeakPolarHBondContact OE1-CE 3.21Å; E423-K426 IonicContact OE1-NZ 3.5Å; E423-K426 PolarHBondContact OE1-NZ 3.4Å; E423-K426 IonicContact OE2-NZ 2.76Å; K426-L429 PolarHBondContact O-N 2.83Å; K426-A430 WeakPolarHBondContact O-CB 3.27Å; K426-A430 PolarHBondContact O-N 3.15Å; K426-F470 PolarHBondContact NZ-O 3.31Å; K426-V472 HydrophobicContact CG-CB 4.42Å; K426-Y475 HydrophobicContact CD-CE2 4.42Å; K426-P611 HydrophobicContact CB-CB 3.88Å; K426-P611 HydrophobicContact CB-CG 3.95Å; K426-P611 HydrophobicContact CG-CB 4.29Å; K426-L613 HydrophobicContact CG-CD2 3.77Å
427	I	97.8	Very high	96.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-60.7	-47.4	175.3	-66.8	164.6	0	0	0	110.8	I402 E423 A424 L429 A430 L431 L460 I464 Y475	I402-I427 HydrophobicContact CD1-CB 4.17Å; I402-I427 HydrophobicContact CD1-CD1 4.28Å; I402-I427 HydrophobicContact CD1-CG2 3.78Å; E423-I427 VanDerWaalsContact O-CG1 3.27Å; E423-I427 WeakPolarHBondContact O-CG1 3.35Å; E423-I427 PolarHBondContact O-N 3.06Å; A424-I427 PolarHBondContact O-N 3.26Å; I427-L429 PolarHBondContact O-N 2.95Å; I427-A430 WeakPolarHBondContact O-CB 3.49Å; I427-A430 PolarHBondContact O-N 2.97Å; I427-L431 HydrophobicContact CG2-CD1 3.93Å; I427-L431 WeakPolarHBondContact O-CG 3.42Å; I427-L431 PolarHBondContact O-N 3Å; I427-L460 HydrophobicContact CG2-CB 4.5Å; I427-L460 HydrophobicContact CG2-CD1 3.91Å; I427-L460 HydrophobicContact CG2-CD2 4.02Å; I427-L460 HydrophobicContact CG2-CG 4.37Å; I427-I464 HydrophobicContact CD1-CD1 3.93Å; I427-I464 HydrophobicContact CD1-CG1 3.99Å; I427-Y475 HydrophobicContact CD1-CD1 3.66Å; I427-Y475 HydrophobicContact CD1-CD2 4.4Å; I427-Y475 HydrophobicContact CD1-CE1 3.91Å; I427-Y475 HydrophobicContact CD1-CG 3.92Å; I427-Y475 HydrophobicContact CG1-CD1 3.89Å; I427-Y475 HydrophobicContact CG1-CD2 3.87Å; I427-Y475 HydrophobicContact CG1-CE1 4.41Å; I427-Y475 HydrophobicContact CG1-CE2 4.39Å; I427-Y475 HydrophobicContact CG1-CG 3.58Å
428	A	97.9	Very high	96.5	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-63.3	-41	-179.4	0	0	0	0	0	113.1	G395 A399 A424 V425 S432 L583	G395-A428 VanDerWaalsContact O-CB 3.31Å; G395-A428 WeakPolarHBondContact O-CB 3.35Å; A399-A428 HydrophobicContact CB-CB 3.79Å; A424-A428 WeakPolarHBondContact O-CB 3.29Å; A424-A428 PolarHBondContact O-N 3.02Å; V425-A428 PolarHBondContact O-N 3.14Å; A428-S432 VanDerWaalsContact O-CB 3.26Å; A428-S432 WeakPolarHBondContact O-CB 3.49Å; A428-S432 PolarHBondContact O-N 3.19Å; A428-S432 PolarHBondContact O-OG 3.22Å; A428-L583 HydrophobicContact CB-CD1 4.29Å; A428-L583 HydrophobicContact CB-CD2 4.02Å
429	L	96.5	Very high	96.3	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-44.8	174.3	-73.5	166.8	0	0	0	111	V425 K426 I427 L431 S432 S433 M481 F555 E580 L583 P611 L613	V425-L429 HydrophobicContact CG1-CD1 3.87Å; V425-L429 HydrophobicContact CG1-CG 4.29Å; V425-L429 WeakPolarHBondContact O-CB 3.23Å; V425-L429 VanDerWaalsContact O-CG 3.29Å; V425-L429 WeakPolarHBondContact O-CG 3.25Å; V425-L429 PolarHBondContact O-N 2.76Å; K426-L429 PolarHBondContact O-N 2.83Å; I427-L429 PolarHBondContact O-N 2.95Å; L429-L431 PolarHBondContact O-N 3.26Å; L429-S432 PolarHBondContact O-N 3.3Å; L429-S433 PolarHBondContact O-N 3.42Å; L429-M481 HydrophobicContact CD2-CE 4.11Å; L429-F555 HydrophobicContact CD2-CE1 4.01Å; L429-F555 HydrophobicContact CD2-CZ 4.38Å; L429-E580 HydrophobicContact CD2-CB 4.17Å; L429-L583 HydrophobicContact CD2-CB 4.28Å; L429-L583 HydrophobicContact CD2-CD1 4.21Å; L429-P611 WeakPolarHBondContact CD1-O 3.22Å; L429-L613 HydrophobicContact CB-CD1 4.02Å; L429-L613 HydrophobicContact CB-CD2 4.21Å; L429-L613 HydrophobicContact CB-CG 4.35Å
430	A	95.5	Very high	96	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-58.7	-47.6	178.3	0	0	0	0	0	112.1	K426 I427 S433 V472 L613	K426-A430 WeakPolarHBondContact O-CB 3.27Å; K426-A430 PolarHBondContact O-N 3.15Å; I427-A430 WeakPolarHBondContact O-CB 3.49Å; I427-A430 PolarHBondContact O-N 2.97Å; A430-S433 WeakPolarHBondContact O-CB 3.43Å; A430-S433 PolarHBondContact O-N 3.49Å; A430-S433 PolarHBondContact O-OG 3.48Å; A430-V472 HydrophobicContact CB-CG2 3.3Å; A430-L613 HydrophobicContact CB-CD1 4.29Å
431	L	96	Very high	95.5	Very high	34 Å²	34	15.8 Å²	15.8	18%	0.178	8%	0.081	C	C	.	.	H	α-helix	trans	-67.9	-39.9	177.7	-64.9	171.8	0	0	0	111.7	T398 I427 L429 S433 G434 M451 L460	T398-L431 HydrophobicContact CG2-CD1 3.96Å; I427-L431 HydrophobicContact CG2-CD1 3.93Å; I427-L431 WeakPolarHBondContact O-CG 3.42Å; I427-L431 PolarHBondContact O-N 3Å; L429-L431 PolarHBondContact O-N 3.26Å; L431-S433 VanDerWaalsContact C-N 3.26Å; L431-S433 PolarHBondContact O-N 3.02Å; L431-G434 PolarHBondContact O-N 3.07Å; L431-G434 VanDerWaalsContact O-N 3.15Å; L431-M451 HydrophobicContact CB-CE 3.65Å; L431-M451 HydrophobicContact CB-CG 4.16Å; L431-M451 HydrophobicContact CB-SD 3.9Å; L431-M451 HydrophobicContact CD1-CG 4.38Å; L431-L460 HydrophobicContact CD1-CD1 4.01Å
432	S	95.6	Very high	95.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-32.1	177.3	-58.2	0	0	0	0	112.6	G395 A428 L429 G434 L435	G395-S432 WeakPolarHBondContact CA-OG 3.44Å; A428-S432 VanDerWaalsContact O-CB 3.26Å; A428-S432 WeakPolarHBondContact O-CB 3.49Å; A428-S432 PolarHBondContact O-N 3.19Å; A428-S432 PolarHBondContact O-OG 3.22Å; L429-S432 PolarHBondContact O-N 3.3Å; S432-G434 PolarHBondContact O-N 2.79Å; S432-G434 VanDerWaalsContact O-N 3.12Å; S432-L435 WeakPolarHBondContact O-CB 3.27Å; S432-L435 WeakPolarHBondContact O-CG 3.41Å; S432-L435 PolarHBondContact O-N 2.8Å
433	S	93.4	Very high	94.9	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.2	176.9	78.7	0	0	0	0	113.3	L429 A430 L431 F479 N541	L429-S433 PolarHBondContact O-N 3.42Å; A430-S433 WeakPolarHBondContact O-CB 3.43Å; A430-S433 PolarHBondContact O-N 3.49Å; A430-S433 PolarHBondContact O-OG 3.48Å; L431-S433 VanDerWaalsContact C-N 3.26Å; L431-S433 PolarHBondContact O-N 3.02Å; S433-F479 WeakPolarHBondContact CB-O 3.4Å; S433-F479 PolarHBondContact OG-N 3.29Å; S433-N541 PolarHBondContact O-ND2 3.46Å
434	G	93.3	Very high	94.7	Very high	7 Å²	7	23.4 Å²	23.4	7%	0.072	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	0.9	177.9	0	0	0	0	0	115.1	L431 S432 H543	L431-G434 PolarHBondContact O-N 3.07Å; L431-G434 VanDerWaalsContact O-N 3.15Å; S432-G434 PolarHBondContact O-N 2.79Å; S432-G434 VanDerWaalsContact O-N 3.12Å; G434-H543 PolarHBondContact O-CD2 3.24Å; G434-H543 VanDerWaalsContact O-CD2 3.3Å
435	L	95.4	Very high	94.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.			trans	-71.9	161.4	178.2	-66.5	174.1	0	0	0	111.9	A389 V394 S432 I447 V448 M451 N541 M553	A389-L435 HydrophobicContact CB-CD2 4.5Å; V394-L435 HydrophobicContact CB-CD1 4.43Å; S432-L435 WeakPolarHBondContact O-CB 3.27Å; S432-L435 WeakPolarHBondContact O-CG 3.41Å; S432-L435 PolarHBondContact O-N 2.8Å; L435-I447 HydrophobicContact CD2-CG2 4.18Å; L435-V448 HydrophobicContact CD2-CG2 3.93Å; L435-M451 HydrophobicContact CD2-SD 3.89Å; L435-M451 HydrophobicContact CG-SD 4.37Å; L435-N541 PolarHBondContact O-ND2 3.01Å; L435-M553 HydrophobicContact CB-CG 4.03Å
436	G	95.4	Very high	94.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.			trans	-159.1	-168.5	175.6	0	0	0	0	0	110.7	P390 P438 V444	P390-G436 WeakPolarHBondContact CA-O 3.47Å; P390-G436 WeakPolarHBondContact CB-O 3.47Å; G436-P438 VanDerWaalsContact O-CD 3.31Å; G436-P438 WeakPolarHBondContact O-CD 3.46Å; G436-V444 WeakPolarHBondContact O-CG1 3.45Å
437	D	96.1	Very high	94.2	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.011	18%	0.178	C	C	.	.			trans	-76.6	113.3	176.4	-166.3	-27.3	0	0	0	110.6	M439 F440 N441 K550 R551	D437-M439 PolarHBondContact O-N 3.18Å; D437-M439 WeakPolarHBondContact OD1-CB 3.46Å; D437-M439 PolarHBondContact OD1-N 2.73Å; D437-F440 HydrophobicContact CB-CD2 3.99Å; D437-F440 PolarHBondContact O-N 3.12Å; D437-F440 VanDerWaalsContact O-N 3.15Å; D437-N441 PolarHBondContact O-N 2.7Å; D437-K550 HydrophobicContact CB-CD 4.33Å; D437-K550 HydrophobicContact CB-CG 3.63Å; D437-R551 PolarHBondContact OD2-N 2.95Å
438	P	93.7	Very high	94.1	Very high	30 Å²	30	34.1 Å²	34.1	20%	0.195	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.8	-178.2	29.1	-35.4	0	0	0	113.1	A389 G436 F440 V444	A389-P438 HydrophobicContact CB-CG 4.23Å; G436-P438 VanDerWaalsContact O-CD 3.31Å; G436-P438 WeakPolarHBondContact O-CD 3.46Å; P438-F440 PolarHBondContact O-N 3.25Å; P438-V444 HydrophobicContact CB-CB 4.38Å; P438-V444 HydrophobicContact CB-CG1 4.17Å
439	M	91.4	Very high	94	Very high	114 Å²	114	39.4 Å²	39.4	56%	0.562	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.8	175.7	-61	-169.5	-63.9	0	0	112.9	D437 R551	D437-M439 PolarHBondContact O-N 3.18Å; D437-M439 WeakPolarHBondContact OD1-CB 3.46Å; D437-M439 PolarHBondContact OD1-N 2.73Å; M439-R551 VanDerWaalsContact CE-NH1 3.26Å
440	F	92.4	Very high	94	Very high	78 Å²	78	45.5 Å²	45.5	34%	0.342	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-25.3	-177.4	-75.8	-104.2	0	0	0	112.6	D437 P438 E547 A548 K550	D437-F440 HydrophobicContact CB-CD2 3.99Å; D437-F440 PolarHBondContact O-N 3.12Å; D437-F440 VanDerWaalsContact O-N 3.15Å; P438-F440 PolarHBondContact O-N 3.25Å; F440-E547 HydrophobicContact CD1-CB 4.32Å; F440-E547 HydrophobicContact CE1-CB 4.32Å; F440-A548 WeakPolarHBondContact CE1-O 3.2Å; F440-A548 WeakPolarHBondContact CZ-O 3.41Å; F440-K550 HydrophobicContact CB-CD 4.24Å; F440-K550 HydrophobicContact CD1-CB 4.25Å; F440-K550 HydrophobicContact CD1-CD 4.17Å; F440-K550 HydrophobicContact CD1-CG 4.29Å; F440-K550 HydrophobicContact CD2-CB 4.11Å; F440-K550 HydrophobicContact CD2-CD 4.3Å; F440-K550 HydrophobicContact CD2-CG 3.76Å; F440-K550 HydrophobicContact CE1-CB 3.97Å; F440-K550 HydrophobicContact CE1-CG 4.47Å; F440-K550 VanDerWaalsContact CE2-CA 3.49Å; F440-K550 HydrophobicContact CE2-CB 3.82Å; F440-K550 HydrophobicContact CE2-CG 3.97Å; F440-K550 HydrophobicContact CG-CB 4.33Å; F440-K550 HydrophobicContact CG-CD 3.97Å; F440-K550 HydrophobicContact CG-CG 3.94Å; F440-K550 HydrophobicContact CZ-CB 3.75Å; F440-K550 HydrophobicContact CZ-CG 4.32Å
441	N	87.6	Confident	94.1	Very high	50 Å²	50	45.7 Å²	45.7	27%	0.267	24%	0.238	S	C	.	.			trans	-145.3	109	-175.6	-172.6	-13.3	0	0	0	112	D437 S443 V444 H543	D437-N441 PolarHBondContact O-N 2.7Å; N441-S443 PolarHBondContact ND2-OG 3.5Å; N441-S443 PolarHBondContact O-N 3.1Å; N441-S443 VanDerWaalsContact O-N 3.14Å; N441-S443 WeakPolarHBondContact OD1-CB 3.37Å; N441-S443 PolarHBondContact OD1-N 3.25Å; N441-S443 PolarHBondContact OD1-OG 3.31Å; N441-V444 HydrophobicContact CB-CG2 4.07Å; N441-V444 VanDerWaalsContact O-CB 3.28Å; N441-V444 WeakPolarHBondContact O-CB 3.34Å; N441-V444 WeakPolarHBondContact O-CG2 3.41Å; N441-V444 PolarHBondContact O-N 3.26Å; N441-H543 PolarHBondContact ND2-ND1 3.22Å; N441-H543 VanDerWaalsContact ND2-ND1 3.19Å
442	N	89.6	Confident	94.1	Very high	126 Å²	126	46.2 Å²	46.2	67%	0.674	24%	0.241	S	C	*	.	H	α-helix	trans	-59.5	-25.8	179.9	-68.8	-11.3	0	0	0	113.8	V444 S445 E446	N442-V444 PolarHBondContact O-N 2.84Å; N442-S445 WeakPolarHBondContact O-CB 3.36Å; N442-S445 PolarHBondContact O-N 2.72Å; N442-E446 PolarHBondContact O-N 3.22Å
443	S	92.8	Very high	94.2	Very high	36 Å²	36	48.1 Å²	48.1	25%	0.252	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-22.7	175.7	64.5	0	0	0	0	112.7	N441 S445 E446 I447 H543	N441-S443 PolarHBondContact ND2-OG 3.5Å; N441-S443 PolarHBondContact O-N 3.1Å; N441-S443 VanDerWaalsContact O-N 3.14Å; N441-S443 WeakPolarHBondContact OD1-CB 3.37Å; N441-S443 PolarHBondContact OD1-N 3.25Å; N441-S443 PolarHBondContact OD1-OG 3.31Å; S443-S445 VanDerWaalsContact C-N 3.33Å; S443-E446 PolarHBondContact O-N 3.08Å; S443-I447 WeakPolarHBondContact O-CG1 3.45Å; S443-I447 PolarHBondContact O-N 3.32Å; S443-H543 PolarHBondContact OG-CE1 2.81Å; S443-H543 PolarHBondContact OG-ND1 3.43Å
444	V	94.3	Very high	94.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-40.8	171.8	178.7	0	0	0	0	110.3	A389 G436 P438 N441 N442 E446 I447 V448 H543	A389-V444 HydrophobicContact CB-CG1 4.16Å; G436-V444 WeakPolarHBondContact O-CG1 3.45Å; P438-V444 HydrophobicContact CB-CB 4.38Å; P438-V444 HydrophobicContact CB-CG1 4.17Å; N441-V444 HydrophobicContact CB-CG2 4.07Å; N441-V444 VanDerWaalsContact O-CB 3.28Å; N441-V444 WeakPolarHBondContact O-CB 3.34Å; N441-V444 WeakPolarHBondContact O-CG2 3.41Å; N441-V444 PolarHBondContact O-N 3.26Å; N442-V444 PolarHBondContact O-N 2.84Å; V444-E446 VanDerWaalsContact C-N 3.3Å; V444-E446 PolarHBondContact O-N 3.35Å; V444-I447 WeakPolarHBondContact O-CB 3.31Å; V444-I447 PolarHBondContact O-N 3.11Å; V444-V448 HydrophobicContact CG1-CG2 4.4Å; V444-V448 VanDerWaalsContact O-CG2 3.31Å; V444-V448 WeakPolarHBondContact O-CG2 3.25Å; V444-V448 PolarHBondContact O-N 3.48Å; V444-H543 HydrophobicContact CG2-CB 3.85Å
445	S	94.4	Very high	94.5	Very high	50 Å²	50	56 Å²	56	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-39.8	176.2	-54.6	0	0	0	0	111.5	N442 S443 I447 V448 D449	N442-S445 WeakPolarHBondContact O-CB 3.36Å; N442-S445 PolarHBondContact O-N 2.72Å; S443-S445 VanDerWaalsContact C-N 3.33Å; S445-I447 PolarHBondContact O-N 2.98Å; S445-V448 PolarHBondContact O-N 2.87Å; S445-D449 PolarHBondContact O-N 3.3Å
446	E	94	Very high	94.6	Very high	122 Å²	122	59.1 Å²	59.1	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-64.9	-37.4	174.8	-61.8	178.4	-174.6	0	0	112.6	N442 S443 V444 K450	N442-E446 PolarHBondContact O-N 3.22Å; S443-E446 PolarHBondContact O-N 3.08Å; V444-E446 VanDerWaalsContact C-N 3.3Å; V444-E446 PolarHBondContact O-N 3.35Å; E446-K450 WeakPolarHBondContact O-CG 3.28Å; E446-K450 PolarHBondContact O-N 2.94Å
447	I	94.7	Very high	94.7	Very high	46 Å²	46	59.2 Å²	59.2	24%	0.236	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-46.5	173.3	-68.6	164.9	0	0	0	109.8	L435 S443 V444 S445 D449 K450 M451	L435-I447 HydrophobicContact CD2-CG2 4.18Å; S443-I447 WeakPolarHBondContact O-CG1 3.45Å; S443-I447 PolarHBondContact O-N 3.32Å; V444-I447 WeakPolarHBondContact O-CB 3.31Å; V444-I447 PolarHBondContact O-N 3.11Å; S445-I447 PolarHBondContact O-N 2.98Å; I447-D449 PolarHBondContact O-N 3.43Å; I447-K450 PolarHBondContact O-N 2.86Å; I447-M451 HydrophobicContact CG2-CG 4.3Å; I447-M451 HydrophobicContact CG2-SD 3.89Å; I447-M451 WeakPolarHBondContact O-CB 3.38Å; I447-M451 WeakPolarHBondContact O-CG 3.47Å; I447-M451 PolarHBondContact O-N 3.49Å
448	V	96.5	Very high	94.8	Very high	16 Å²	16	60.8 Å²	60.8	10%	0.097	32%	0.322	C	S	.	.	H	α-helix	trans	-59.7	-46.7	178.2	170.5	0	0	0	0	110.8	A389 V394 L435 V444 S445 K450 M451 L452	A389-V448 HydrophobicContact CB-CG2 3.75Å; V394-V448 HydrophobicContact CG1-CB 4.47Å; V394-V448 HydrophobicContact CG1-CG1 4.04Å; V394-V448 HydrophobicContact CG1-CG2 4.41Å; V394-V448 HydrophobicContact CG2-CG1 4.17Å; V394-V448 HydrophobicContact CG2-CG2 4.27Å; L435-V448 HydrophobicContact CD2-CG2 3.93Å; V444-V448 HydrophobicContact CG1-CG2 4.4Å; V444-V448 VanDerWaalsContact O-CG2 3.31Å; V444-V448 WeakPolarHBondContact O-CG2 3.25Å; V444-V448 PolarHBondContact O-N 3.48Å; S445-V448 PolarHBondContact O-N 2.87Å; V448-K450 VanDerWaalsContact C-N 3.29Å; V448-K450 PolarHBondContact O-N 3.43Å; V448-M451 PolarHBondContact O-N 3.42Å; V448-M451 VanDerWaalsContact O-N 3.1Å; V448-L452 HydrophobicContact CG1-CD1 3.69Å; V448-L452 HydrophobicContact CG1-CG 4.15Å; V448-L452 VanDerWaalsContact O-CG 3.28Å; V448-L452 WeakPolarHBondContact O-CG 3.45Å; V448-L452 PolarHBondContact O-N 2.95Å
449	D	95.9	Very high	95	Very high	112 Å²	112	64.4 Å²	64.4	60%	0.599	34%	0.336	S	S	*	.	H	α-helix	trans	-58.9	-40.3	179	-73	-19.8	0	0	0	112.3	S445 I447 S453	S445-D449 PolarHBondContact O-N 3.3Å; I447-D449 PolarHBondContact O-N 3.43Å; D449-S453 PolarHBondContact O-N 2.92Å
450	K	96	Very high	95.3	Very high	129 Å²	129	59.3 Å²	59.3	56%	0.561	31%	0.311	S	S	*	.	H	α-helix	trans	-65.7	-45.9	173.6	-71	176.6	-177	175.7	0	111.8	E446 I447 V448 L452 S453 E456	E446-K450 WeakPolarHBondContact O-CG 3.28Å; E446-K450 PolarHBondContact O-N 2.94Å; I447-K450 PolarHBondContact O-N 2.86Å; V448-K450 VanDerWaalsContact C-N 3.29Å; V448-K450 PolarHBondContact O-N 3.43Å; K450-L452 VanDerWaalsContact C-N 3.28Å; K450-L452 PolarHBondContact O-N 3.35Å; K450-S453 VanDerWaalsContact O-CB 3.27Å; K450-S453 WeakPolarHBondContact O-CB 3.33Å; K450-S453 PolarHBondContact O-N 3.09Å; K450-S453 VanDerWaalsContact O-N 3.13Å; K450-E456 WeakPolarHBondContact O-CB 3.37Å
451	M	97.4	Very high	95.5	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.03	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-32.2	-180	-75.2	-177	71	0	0	113.4	V394 T398 L431 L435 I447 V448	V394-M451 HydrophobicContact CB-CE 4.4Å; V394-M451 HydrophobicContact CG1-CB 3.61Å; V394-M451 HydrophobicContact CG1-CE 4.04Å; V394-M451 HydrophobicContact CG1-CG 4.47Å; V394-M451 HydrophobicContact CG1-SD 4.1Å; T398-M451 WeakPolarHBondContact OG1-CB 3.37Å; T398-M451 PolarHBondContact OG1-O 3.14Å; L431-M451 HydrophobicContact CB-CE 3.65Å; L431-M451 HydrophobicContact CB-CG 4.16Å; L431-M451 HydrophobicContact CB-SD 3.9Å; L431-M451 HydrophobicContact CD1-CG 4.38Å; L435-M451 HydrophobicContact CD2-SD 3.89Å; L435-M451 HydrophobicContact CG-SD 4.37Å; I447-M451 HydrophobicContact CG2-CG 4.3Å; I447-M451 HydrophobicContact CG2-SD 3.89Å; I447-M451 WeakPolarHBondContact O-CB 3.38Å; I447-M451 WeakPolarHBondContact O-CG 3.47Å; I447-M451 PolarHBondContact O-N 3.49Å; V448-M451 PolarHBondContact O-N 3.42Å; V448-M451 VanDerWaalsContact O-N 3.1Å
452	L	96.9	Very high	96	Very high	45 Å²	45	63.3 Å²	63.3	24%	0.236	33%	0.327	C	S	.	.	H	α-helix	trans	-82.3	-13.2	177.9	-62.4	176.4	0	0	0	113.3	V375 V394 I397 N401 V448 K450	V375-L452 HydrophobicContact CB-CD1 4.32Å; V375-L452 HydrophobicContact CB-CD2 4.02Å; V375-L452 HydrophobicContact CG1-CD1 3.75Å; V375-L452 HydrophobicContact CG1-CD2 4.15Å; V394-L452 HydrophobicContact CG1-CD2 3.81Å; V394-L452 HydrophobicContact CG1-CG 4.04Å; I397-L452 HydrophobicContact CB-CD2 3.93Å; I397-L452 HydrophobicContact CD1-CD2 3.74Å; I397-L452 HydrophobicContact CG1-CD2 4.45Å; I397-L452 HydrophobicContact CG2-CD2 3.4Å; I397-L452 VanDerWaalsContact CG2-CD2 3.4Å; N401-L452 PolarHBondContact ND2-O 2.98Å; V448-L452 HydrophobicContact CG1-CD1 3.69Å; V448-L452 HydrophobicContact CG1-CG 4.15Å; V448-L452 VanDerWaalsContact O-CG 3.28Å; V448-L452 WeakPolarHBondContact O-CG 3.45Å; V448-L452 PolarHBondContact O-N 2.95Å; K450-L452 VanDerWaalsContact C-N 3.28Å; K450-L452 PolarHBondContact O-N 3.35Å
453	S	96.8	Very high	96.4	Very high	40 Å²	40	60.7 Å²	60.7	28%	0.28	31%	0.311	S	S	.	.			trans	-74.4	123.4	-173.5	178.9	0	0	0	0	113	D449 K450 P455 E456 A457	D449-S453 PolarHBondContact O-N 2.92Å; K450-S453 VanDerWaalsContact O-CB 3.27Å; K450-S453 WeakPolarHBondContact O-CB 3.33Å; K450-S453 PolarHBondContact O-N 3.09Å; K450-S453 VanDerWaalsContact O-N 3.13Å; S453-P455 VanDerWaalsContact OG-CD 3.3Å; S453-P455 WeakPolarHBondContact OG-CD 3.44Å; S453-E456 PolarHBondContact O-N 2.9Å; S453-A457 PolarHBondContact O-N 2.88Å
454	K	96	Very high	96.6	Very high	88 Å²	88	59.5 Å²	59.5	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-38.8	173.2	-68.2	-161.7	177.5	-157.4	0	113.9	T378 E404 A457 S458	T378-K454 PolarHBondContact O-NZ 2.85Å; E404-K454 IonicContact OE1-NZ 3.57Å; E404-K454 PolarHBondContact OE1-NZ 2.9Å; E404-K454 IonicContact OE2-NZ 2.89Å; E404-K454 PolarHBondContact OE2-NZ 3.06Å; K454-A457 PolarHBondContact O-N 3.5Å; K454-S458 PolarHBondContact O-N 2.89Å; K454-S458 PolarHBondContact O-OG 3.18Å
455	P	97.4	Very high	96.7	Very high	86 Å²	86	62.7 Å²	62.7	56%	0.558	32%	0.319	S	S	*	.	H	α-helix	trans	-56.6	-45.5	170.1	-29.5	34.2	0	0	0	113.6	S453 S458 Q459	S453-P455 VanDerWaalsContact OG-CD 3.3Å; S453-P455 WeakPolarHBondContact OG-CD 3.44Å; P455-S458 WeakPolarHBondContact O-CB 3.45Å; P455-S458 PolarHBondContact O-N 3.1Å; P455-S458 VanDerWaalsContact O-N 3.14Å; P455-Q459 PolarHBondContact O-N 3.16Å; P455-Q459 VanDerWaalsContact O-N 3.08Å
456	E	97.1	Very high	96.8	Very high	65 Å²	65	64.1 Å²	64.1	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-45.7	178.3	-169.3	69.2	-169.9	0	0	110.8	K450 S453 S458 Q459 L460	K450-E456 WeakPolarHBondContact O-CB 3.37Å; S453-E456 PolarHBondContact O-N 2.9Å; E456-S458 PolarHBondContact O-N 3.14Å; E456-Q459 WeakPolarHBondContact O-CB 3.29Å; E456-Q459 PolarHBondContact O-N 3.39Å; E456-Q459 VanDerWaalsContact O-N 3.09Å; E456-L460 HydrophobicContact CG-CD1 4.3Å; E456-L460 WeakPolarHBondContact O-CG 3.37Å; E456-L460 PolarHBondContact O-N 3.33Å
457	A	97.8	Very high	96.8	Very high	2 Å²	2	62.4 Å²	62.4	2%	0.017	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-31.7	175	0	0	0	0	0	113	N401 I402 S453 K454 R461	N401-A457 HydrophobicContact CB-CB 3.58Å; I402-A457 HydrophobicContact CG1-CB 3.93Å; S453-A457 PolarHBondContact O-N 2.88Å; K454-A457 PolarHBondContact O-N 3.5Å; A457-R461 VanDerWaalsContact O-CB 3.32Å; A457-R461 WeakPolarHBondContact O-CB 3.45Å; A457-R461 PolarHBondContact O-N 2.87Å
458	S	97.9	Very high	96.8	Very high	36 Å²	36	65 Å²	65	25%	0.252	34%	0.336	S	S	.	.	H	α-helix	trans	-71.7	-39.2	175.3	-61.9	0	0	0	0	112.2	K454 P455 E456 R461 E462	K454-S458 PolarHBondContact O-N 2.89Å; K454-S458 PolarHBondContact O-OG 3.18Å; P455-S458 WeakPolarHBondContact O-CB 3.45Å; P455-S458 PolarHBondContact O-N 3.1Å; P455-S458 VanDerWaalsContact O-N 3.14Å; E456-S458 PolarHBondContact O-N 3.14Å; S458-R461 WeakPolarHBondContact O-CB 3.46Å; S458-R461 PolarHBondContact O-N 3.19Å; S458-R461 PolarHBondContact OG-NH2 3.28Å; S458-R461 VanDerWaalsContact OG-NH2 3.13Å; S458-E462 WeakPolarHBondContact O-CG 3.44Å; S458-E462 PolarHBondContact O-N 2.66Å
459	Q	97.7	Very high	96.8	Very high	105 Å²	105	65 Å²	65	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-44.9	173.6	-66.7	178.2	10.2	0	0	111.3	P455 E456 R461 E462 M463	P455-Q459 PolarHBondContact O-N 3.16Å; P455-Q459 VanDerWaalsContact O-N 3.08Å; E456-Q459 WeakPolarHBondContact O-CB 3.29Å; E456-Q459 PolarHBondContact O-N 3.39Å; E456-Q459 VanDerWaalsContact O-N 3.09Å; Q459-R461 VanDerWaalsContact C-N 3.31Å; Q459-R461 PolarHBondContact O-N 3.41Å; Q459-E462 PolarHBondContact O-N 2.99Å; Q459-M463 WeakPolarHBondContact O-CG 3.31Å; Q459-M463 PolarHBondContact O-N 3.46Å
460	L	97.7	Very high	96.7	Very high	7 Å²	7	62 Å²	62	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-40.6	175.3	-69.8	166.6	0	0	0	111.8	I402 I427 L431 E456 E462 M463	I402-L460 HydrophobicContact CD1-CB 4.12Å; I402-L460 HydrophobicContact CD1-CD1 4.23Å; I402-L460 HydrophobicContact CG1-CB 4.32Å; I427-L460 HydrophobicContact CG2-CB 4.5Å; I427-L460 HydrophobicContact CG2-CD1 3.91Å; I427-L460 HydrophobicContact CG2-CD2 4.02Å; I427-L460 HydrophobicContact CG2-CG 4.37Å; L431-L460 HydrophobicContact CD1-CD1 4.01Å; E456-L460 HydrophobicContact CG-CD1 4.3Å; E456-L460 WeakPolarHBondContact O-CG 3.37Å; E456-L460 PolarHBondContact O-N 3.33Å; L460-E462 VanDerWaalsContact C-N 3.34Å; L460-E462 PolarHBondContact O-N 3.22Å; L460-M463 HydrophobicContact CD2-CE 4.02Å; L460-M463 HydrophobicContact CD2-SD 4.42Å; L460-M463 WeakPolarHBondContact O-CB 3.43Å; L460-M463 PolarHBondContact O-N 3.38Å
461	R	97.8	Very high	96.6	Very high	54 Å²	54	58.4 Å²	58.4	20%	0.204	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-40.9	175.1	-175.7	177.4	60.2	-110.9	-4.7	112.4	I402 Y406 A457 S458 Q459 M463 I464	I402-R461 HydrophobicContact CG2-CB 4.2Å; Y406-R461 HydrophobicContact CD2-CG 4.35Å; Y406-R461 HydrophobicContact CE1-CG 4.24Å; Y406-R461 HydrophobicContact CE2-CG 3.58Å; Y406-R461 WeakPolarHBondContact OH-CG 3.28Å; A457-R461 VanDerWaalsContact O-CB 3.32Å; A457-R461 WeakPolarHBondContact O-CB 3.45Å; A457-R461 PolarHBondContact O-N 2.87Å; S458-R461 WeakPolarHBondContact O-CB 3.46Å; S458-R461 PolarHBondContact O-N 3.19Å; S458-R461 PolarHBondContact OG-NH2 3.28Å; S458-R461 VanDerWaalsContact OG-NH2 3.13Å; Q459-R461 VanDerWaalsContact C-N 3.31Å; Q459-R461 PolarHBondContact O-N 3.41Å; R461-M463 PolarHBondContact O-N 3.32Å; R461-I464 WeakPolarHBondContact O-CB 3.44Å; R461-I464 PolarHBondContact O-N 2.9Å; R461-I464 VanDerWaalsContact O-N 3.09Å
462	E	97.4	Very high	96.4	Very high	159 Å²	159	58.5 Å²	58.5	74%	0.743	31%	0.311	S	S	*	.	H	α-helix	trans	-64.3	-21.7	177.9	-73.4	172.8	-168.5	0	0	113.2	S458 Q459 L460	S458-E462 WeakPolarHBondContact O-CG 3.44Å; S458-E462 PolarHBondContact O-N 2.66Å; Q459-E462 PolarHBondContact O-N 2.99Å; L460-E462 VanDerWaalsContact C-N 3.34Å; L460-E462 PolarHBondContact O-N 3.22Å
463	M	97.3	Very high	96.1	Very high	70 Å²	70	62.3 Å²	62.3	35%	0.345	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.3	175	-57.3	178.6	-143.8	0	0	113.3	Q459 L460 R461 H474 Y475	Q459-M463 WeakPolarHBondContact O-CG 3.31Å; Q459-M463 PolarHBondContact O-N 3.46Å; L460-M463 HydrophobicContact CD2-CE 4.02Å; L460-M463 HydrophobicContact CD2-SD 4.42Å; L460-M463 WeakPolarHBondContact O-CB 3.43Å; L460-M463 PolarHBondContact O-N 3.38Å; R461-M463 PolarHBondContact O-N 3.32Å; M463-H474 PolarHBondContact O-NE2 3.49Å; M463-Y475 HydrophobicContact CB-CD1 3.88Å; M463-Y475 HydrophobicContact CB-CE1 3.94Å
464	I	97.9	Very high	96	Very high	12 Å²	12	64.4 Å²	64.4	6%	0.062	34%	0.337	C	S	.	.			trans	-78.4	123.1	180	-61.2	173.7	0	0	0	109.1	I402 Y406 E423 I427 R461 Y475	I402-I464 HydrophobicContact CG2-CD1 3.86Å; Y406-I464 WeakPolarHBondContact OH-CB 3.36Å; Y406-I464 WeakPolarHBondContact OH-CG2 3.35Å; E423-I464 HydrophobicContact CB-CD1 4.02Å; E423-I464 HydrophobicContact CB-CG1 4.1Å; E423-I464 HydrophobicContact CB-CG2 3.99Å; E423-I464 HydrophobicContact CG-CG2 4.12Å; I427-I464 HydrophobicContact CD1-CD1 3.93Å; I427-I464 HydrophobicContact CD1-CG1 3.99Å; R461-I464 WeakPolarHBondContact O-CB 3.44Å; R461-I464 PolarHBondContact O-N 2.9Å; R461-I464 VanDerWaalsContact O-N 3.09Å; I464-Y475 HydrophobicContact CG1-CE1 3.94Å
465	N	96.8	Very high	95.8	Very high	67 Å²	67	61.1 Å²	61.1	36%	0.358	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-95.5	118.9	176.9	-177.7	-30	0	0	0	110.8	H419 S467 Q468 F470	H419-N465 PolarHBondContact NE2-O 3.07Å; N465-S467 PolarHBondContact O-N 3.2Å; N465-S467 PolarHBondContact OD1-N 2.93Å; N465-Q468 HydrophobicContact CB-CB 4.46Å; N465-Q468 PolarHBondContact O-N 3.07Å; N465-Q468 VanDerWaalsContact O-N 3.1Å; N465-Q468 VanDerWaalsContact O-O 3.1Å; N465-F470 HydrophobicContact CB-CE2 3.64Å; N465-F470 HydrophobicContact CB-CZ 4.42Å
466	D	94.9	Very high	95.5	Very high	79 Å²	79	58.8 Å²	58.8	42%	0.422	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-19.8	-177.8	-70.9	-20.5	0	0	0	115.4	W420 K635	W420-D466 PolarHBondContact NE1-OD1 3.25Å; D466-K635 PolarHBondContact O-NZ 2.79Å
467	S	93.9	Very high	95.1	Very high	87 Å²	87	60.3 Å²	60.3	61%	0.608	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-6.5	-176.5	-56.9	0	0	0	0	114.4	N465	N465-S467 PolarHBondContact O-N 3.2Å; N465-S467 PolarHBondContact OD1-N 2.93Å
468	Q	95.9	Very high	94.7	Very high	101 Å²	101	62 Å²	62	47%	0.472	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-146.1	127.4	-172.8	-174.6	172.6	17.2	0	0	112.2	N465 F470 K635	N465-Q468 HydrophobicContact CB-CB 4.46Å; N465-Q468 PolarHBondContact O-N 3.07Å; N465-Q468 VanDerWaalsContact O-N 3.1Å; N465-Q468 VanDerWaalsContact O-O 3.1Å; Q468-F470 HydrophobicContact CG-CE1 4.44Å; Q468-F470 HydrophobicContact CG-CZ 4.3Å; Q468-K635 CarbonylContact C-O 3.46Å; Q468-K635 VanDerWaalsContact CA-O 3.3Å; Q468-K635 WeakPolarHBondContact CA-O 3.37Å
469	A	95.9	Very high	94.4	Very high	15 Å²	15	62.9 Å²	62.9	12%	0.124	34%	0.336	C	S	.	.			trans	-77.1	142.7	170	0	0	0	0	0	111.3	K635 H637	A469-K635 PolarHBondContact N-O 3.21Å; A469-H637 VanDerWaalsContact CB-CE1 3.49Å; A469-H637 WeakPolarHBondContact CB-CE1 3.31Å
470	F	94.4	Very high	93.7	Very high	50 Å²	50	59.9 Å²	59.9	22%	0.219	33%	0.326	C	S	.	.			trans	-117.2	159	175.7	-70	-72.8	0	0	0	112.1	E423 K426 N465 Q468 H474 Y475	E423-F470 PolarHBondContact OE2-N 2.71Å; E423-F470 VanDerWaalsContact OE2-N 3.16Å; K426-F470 PolarHBondContact NZ-O 3.31Å; N465-F470 HydrophobicContact CB-CE2 3.64Å; N465-F470 HydrophobicContact CB-CZ 4.42Å; Q468-F470 HydrophobicContact CG-CE1 4.44Å; Q468-F470 HydrophobicContact CG-CZ 4.3Å; F470-H474 HydrophobicContact CB-CB 3.69Å; F470-H474 AromaticContact CD2-CD2 3.74Å; F470-H474 AromaticContact CD2-NE2 3.75Å; F470-H474 AromaticContact CE2-NE2 3.99Å; F470-H474 HydrophobicContact CG-CB 4.19Å; F470-H474 AromaticContact CG-CD2 3.78Å; F470-H474 AromaticContact CG-CG 3.8Å; F470-Y475 HydrophobicContact CB-CE2 4.01Å
471	S	93.4	Very high	92.8	Very high	53 Å²	53	61.6 Å²	61.6	37%	0.371	34%	0.335	S	S	.	.			trans	-70	157.7	168.4	67.4	0	0	0	0	110.5	N473 H474	S471-N473 PolarHBondContact O-N 3.22Å; S471-N473 VanDerWaalsContact O-N 3.11Å; S471-H474 VanDerWaalsContact O-CB 3.3Å; S471-H474 WeakPolarHBondContact O-CB 3.36Å; S471-H474 PolarHBondContact O-N 3.32Å
472	V	92.7	Very high	91.6	Very high	8 Å²	8	62.2 Å²	62.2	5%	0.048	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-54.5	-34.5	-177.3	67.1	0	0	0	0	113.3	K426 A430 H474 Y475 S476 L613	K426-V472 HydrophobicContact CG-CB 4.42Å; A430-V472 HydrophobicContact CB-CG2 3.3Å; V472-H474 PolarHBondContact O-N 3.13Å; V472-H474 VanDerWaalsContact O-N 3.11Å; V472-Y475 PolarHBondContact O-N 3.33Å; V472-S476 PolarHBondContact O-N 2.94Å; V472-S476 VanDerWaalsContact O-N 3.11Å; V472-L613 HydrophobicContact CB-CD2 4.33Å; V472-L613 HydrophobicContact CG2-CD2 4.1Å
473	N	92.4	Very high	90.4	Very high	125 Å²	125	59.8 Å²	59.8	67%	0.668	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-63.8	-16.2	-179.3	-66.7	-22.3	0	0	0	114.2	S471 Y475	S471-N473 PolarHBondContact O-N 3.22Å; S471-N473 VanDerWaalsContact O-N 3.11Å; N473-Y475 VanDerWaalsContact C-N 3.3Å
474	H	92.8	Very high	88.9	Confident	84 Å²	84	57.6 Å²	57.6	39%	0.389	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-68.7	-31.8	171.7	177.8	78	0	0	0	112	M463 F470 S471 V472	M463-H474 PolarHBondContact O-NE2 3.49Å; F470-H474 HydrophobicContact CB-CB 3.69Å; F470-H474 AromaticContact CD2-CD2 3.74Å; F470-H474 AromaticContact CD2-NE2 3.75Å; F470-H474 AromaticContact CE2-NE2 3.99Å; F470-H474 HydrophobicContact CG-CB 4.19Å; F470-H474 AromaticContact CG-CD2 3.78Å; F470-H474 AromaticContact CG-CG 3.8Å; S471-H474 VanDerWaalsContact O-CB 3.3Å; S471-H474 WeakPolarHBondContact O-CB 3.36Å; S471-H474 PolarHBondContact O-N 3.32Å; V472-H474 PolarHBondContact O-N 3.13Å; V472-H474 VanDerWaalsContact O-N 3.11Å
475	Y	92.7	Very high	87.9	Confident	19 Å²	19	57.3 Å²	57.3	8%	0.075	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-46.5	-173.6	-56.3	-72.4	0	0	0	113.1	E423 K426 I427 M463 I464 F470 V472 N473	E423-Y475 WeakPolarHBondContact OE2-CE2 3.41Å; E423-Y475 VanDerWaalsContact OE2-CZ 3.32Å; E423-Y475 PolarHBondContact OE2-OH 3.18Å; K426-Y475 HydrophobicContact CD-CE2 4.42Å; I427-Y475 HydrophobicContact CD1-CD1 3.66Å; I427-Y475 HydrophobicContact CD1-CD2 4.4Å; I427-Y475 HydrophobicContact CD1-CE1 3.91Å; I427-Y475 HydrophobicContact CD1-CG 3.92Å; I427-Y475 HydrophobicContact CG1-CD1 3.89Å; I427-Y475 HydrophobicContact CG1-CD2 3.87Å; I427-Y475 HydrophobicContact CG1-CE1 4.41Å; I427-Y475 HydrophobicContact CG1-CE2 4.39Å; I427-Y475 HydrophobicContact CG1-CG 3.58Å; M463-Y475 HydrophobicContact CB-CD1 3.88Å; M463-Y475 HydrophobicContact CB-CE1 3.94Å; I464-Y475 HydrophobicContact CG1-CE1 3.94Å; F470-Y475 HydrophobicContact CB-CE2 4.01Å; V472-Y475 PolarHBondContact O-N 3.33Å; N473-Y475 VanDerWaalsContact C-N 3.3Å
476	S	90.1	Very high	87.5	Confident	37 Å²	37	55.3 Å²	55.3	26%	0.259	32%	0.319	S	S	.	.			trans	-160.4	162.9	-176.7	-170.5	0	0	0	0	111.1	V472	V472-S476 PolarHBondContact O-N 2.94Å; V472-S476 VanDerWaalsContact O-N 3.11Å
477	S	89.1	Confident	87.4	Confident	96 Å²	96	51.7 Å²	51.7	67%	0.671	30%	0.3	S	S	*	.			trans	-69.8	146.1	162.6	-59.4	0	0	0	0	109.7
478	S	90.6	Very high	87.5	Confident	37 Å²	37	47.6 Å²	47.6	26%	0.259	27%	0.271	S	S	.	.			trans	-129.6	158.1	173.5	57.9	0	0	0	0	110
479	F	90.1	Very high	87.6	Confident	55 Å²	55	42.8 Å²	42.8	24%	0.241	25%	0.248	C	C	.	.			trans	-106.7	153.3	172.3	-60.7	-80.9	0	0	0	109.6	S433 M481 N541 P542	S433-F479 WeakPolarHBondContact CB-O 3.4Å; S433-F479 PolarHBondContact OG-N 3.29Å; F479-M481 PolarHBondContact O-N 2.75Å; F479-N541 HydrophobicContact CB-CB 3.9Å; F479-N541 HydrophobicContact CD1-CB 3.99Å; F479-N541 HydrophobicContact CD2-CB 4.08Å; F479-N541 HydrophobicContact CG-CB 3.71Å; F479-P542 HydrophobicContact CZ-CG 4.38Å
480	P	84.1	Confident	87.7	Confident	43 Å²	43	42.1 Å²	42.1	28%	0.279	24%	0.243	S	C	.	.			trans	-54.4	133.5	175.2	-23.2	32.6	0	0	0	110.8	S538 S539	P480-S538 WeakPolarHBondContact CG-OG 3.06Å; P480-S539 WeakPolarHBondContact CD-O 3.43Å
481	M	79	Confident	87.9	Confident	42 Å²	42	39.7 Å²	39.7	21%	0.207	23%	0.232	C	C	.	.			trans	-117.2	122.3	177.1	-70.2	178.1	49.1	0	0	107.9	L429 F479 F555 E580 L613	L429-M481 HydrophobicContact CD2-CE 4.11Å; F479-M481 PolarHBondContact O-N 2.75Å; M481-F555 HydrophobicContact CE-CD2 4.37Å; M481-F555 HydrophobicContact CE-CE1 4.13Å; M481-F555 HydrophobicContact CE-CE2 3.32Å; M481-F555 HydrophobicContact CE-CZ 3.17Å; M481-F555 HydrophobicContact SD-CZ 4.2Å; M481-E580 HydrophobicContact CE-CB 3.51Å; M481-E580 HydrophobicContact CE-CG 4.12Å; M481-L613 HydrophobicContact SD-CD1 4.15Å
482	K	72.1	Confident	88.1	Confident	68 Å²	68	37.2 Å²	37.2	30%	0.296	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-71.7	157.5	171	-63.2	176.4	-170.2	164.3	0	109.9	G484 L527 E534	K482-G484 PolarHBondContact O-N 2.72Å; K482-L527 PolarHBondContact NZ-O 3.4Å; K482-E534 WeakPolarHBondContact CE-OE1 3.34Å; K482-E534 WeakPolarHBondContact CE-OE2 3.27Å; K482-E534 IonicContact NZ-OE1 3.41Å; K482-E534 PolarHBondContact NZ-OE1 3.12Å; K482-E534 IonicContact NZ-OE2 2.71Å; K482-E534 PolarHBondContact NZ-OE2 3.04Å; K482-E534 VanDerWaalsContact NZ-OE2 3.17Å
483	D	72.3	Confident	88.3	Confident	107 Å²	107	37 Å²	37	57%	0.572	21%	0.213	S	C	*	.	P	Polyproline II helix	trans	-48.4	117.4	162.5	-77.3	-28.6	0	0	0	109.6	K508	D483-K508 PolarHBondContact O-NZ 3.11Å
484	G	66.4	Low	88.3	Confident	24 Å²	24	31.1 Å²	31.1	25%	0.247	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-65.6	167.6	-171.7	0	0	0	0	0	113.4	K482 E580	K482-G484 PolarHBondContact O-N 2.72Å; G484-E580 VanDerWaalsContact CA-OE2 3.3Å; G484-E580 WeakPolarHBondContact CA-OE2 3.4Å; G484-E580 PolarHBondContact N-OE2 2.86Å
485	A	76.4	Confident	88.1	Confident	7 Å²	7	29.2 Å²	29.2	6%	0.058	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-59.9	138.6	-177.8	0	0	0	0	0	112.3	S505 N507 G579	A485-S505 WeakPolarHBondContact CB-OG 3.06Å; A485-N507 CarbonylContact C-O 3.47Å; A485-N507 WeakPolarHBondContact CA-O 3.1Å; A485-G579 PolarHBondContact O-N 3Å
486	A	87.3	Confident	88.1	Confident	25 Å²	25	29.2 Å²	29.2	21%	0.207	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-72.3	125.6	164.5	0	0	0	0	0	107.9	T195 S505 N507 P509	T195-A486 HydrophobicContact CG2-CB 4.03Å; A486-S505 WeakPolarHBondContact O-CB 3.26Å; A486-S505 PolarHBondContact O-OG 3.49Å; A486-N507 PolarHBondContact N-O 3.15Å; A486-P509 HydrophobicContact CB-CG 4.44Å
487	A	93.6	Very high	88.2	Confident	3 Å²	3	28.9 Å²	28.9	3%	0.025	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	159.3	-175	0	0	0	0	0	112.3	V503 S504 L556 S577	A487-V503 HydrophobicContact CB-CG1 3.79Å; A487-S504 CarbonylContact C-O 3.53Å; A487-S504 VanDerWaalsContact CA-O 3.26Å; A487-S504 WeakPolarHBondContact CA-O 3.41Å; A487-S504 WeakPolarHBondContact CB-O 3.31Å; A487-L556 HydrophobicContact CB-CD2 3.52Å; A487-S577 PolarHBondContact N-O 3.31Å; A487-S577 VanDerWaalsContact N-O 3.09Å; A487-S577 WeakPolarHBondContact O-CB 3.48Å
488	A	96.6	Very high	88.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.7	166.5	0	0	0	0	0	108.8	D159 L188 V503 S504	D159-A488 WeakPolarHBondContact OD2-CA 3.21Å; L188-A488 HydrophobicContact CB-CB 4.33Å; L188-A488 HydrophobicContact CD1-CB 4Å; A488-V503 CarbonylContact O-C 3.55Å; A488-V503 WeakPolarHBondContact O-CA 3.24Å; A488-S504 PolarHBondContact N-O 3.47Å; A488-S504 PolarHBondContact O-N 3.35Å
489	Q	97	Very high	88.8	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.6	-177.1	75.3	-162	-60.5	0	0	112.4	T158 D159 M491 V502 G575 S576 E649	T158-Q489 WeakPolarHBondContact CA-O 3.31Å; D159-Q489 WeakPolarHBondContact OD1-CG 3.48Å; D159-Q489 PolarHBondContact OD1-NE2 2.72Å; D159-Q489 PolarHBondContact OD2-N 3.05Å; Q489-M491 HydrophobicContact CB-CE 3.67Å; Q489-M491 HydrophobicContact CG-CE 4.21Å; Q489-V502 CarbonylContact C-O 3.47Å; Q489-V502 VanDerWaalsContact CA-O 3.28Å; Q489-V502 WeakPolarHBondContact CA-O 3.44Å; Q489-G575 PolarHBondContact OE1-O 3.08Å; Q489-S576 VanDerWaalsContact OE1-CA 3.31Å; Q489-E649 HydrophobicContact CG-CB 4Å; Q489-E649 HydrophobicContact CG-CG 3.85Å
490	V	98.6	Very high	89.2	Confident	1 Å²	1	21 Å²	21	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	122.8	177.5	179.3	0	0	0	0	109.1	V157 T158 A181 A184 A185 L188 V492 V502	V157-V490 WeakPolarHBondContact O-CA 3.15Å; T158-V490 HydrophobicContact CG2-CB 4.41Å; T158-V490 HydrophobicContact CG2-CG1 4.1Å; T158-V490 HydrophobicContact CG2-CG2 4.05Å; A181-V490 HydrophobicContact CB-CG1 4.14Å; A184-V490 HydrophobicContact CB-CG1 3.79Å; A184-V490 HydrophobicContact CB-CG2 4.14Å; A185-V490 HydrophobicContact CB-CG2 4.09Å; L188-V490 HydrophobicContact CD1-CG2 3.46Å; L188-V490 VanDerWaalsContact CD1-CG2 3.46Å; V490-V492 HydrophobicContact CG1-CG2 3.9Å; V490-V502 HydrophobicContact CB-CB 4.09Å; V490-V502 HydrophobicContact CB-CG2 4.31Å; V490-V502 PolarHBondContact N-O 3.3Å; V490-V502 PolarHBondContact O-N 3.23Å
491	M	98.5	Very high	89.9	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.3	176.3	-50.9	-56.3	141.4	0	0	109.2	V156 V157 Q489 V500 S501 V503 A573 T651	V156-M491 WeakPolarHBondContact CA-O 3.13Å; V157-M491 HydrophobicContact CB-CB 4.32Å; V157-M491 PolarHBondContact N-O 3.35Å; V157-M491 PolarHBondContact O-N 3.01Å; Q489-M491 HydrophobicContact CB-CE 3.67Å; Q489-M491 HydrophobicContact CG-CE 4.21Å; M491-V500 WeakPolarHBondContact CA-O 3.35Å; M491-S501 WeakPolarHBondContact CE-OG 3.35Å; M491-S501 VanDerWaalsContact SD-CB 3.54Å; M491-S501 PolarHBondContact SD-OG 3.28Å; M491-V503 HydrophobicContact CE-CG2 4.4Å; M491-A573 HydrophobicContact SD-CB 4.48Å; M491-T651 HydrophobicContact CB-CG2 3.94Å
492	V	98.4	Very high	90.9	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.1	-179.6	-174.5	0	0	0	0	110.4	A155 V156 L171 A180 A181 V490 V500	A155-V492 WeakPolarHBondContact O-CA 3.08Å; V156-V492 HydrophobicContact CG1-CG2 4.24Å; V156-V492 HydrophobicContact CG2-CG1 4.15Å; V156-V492 HydrophobicContact CG2-CG2 4.22Å; L171-V492 HydrophobicContact CD1-CG1 4.22Å; L171-V492 HydrophobicContact CD2-CG1 4.41Å; A180-V492 HydrophobicContact CB-CG1 4.19Å; A181-V492 HydrophobicContact CB-CG2 3.98Å; V490-V492 HydrophobicContact CG1-CG2 3.9Å; V492-V500 HydrophobicContact CB-CB 4.3Å; V492-V500 PolarHBondContact N-O 3.47Å; V492-V500 PolarHBondContact O-N 3.36Å
493	M	96.8	Very high	92.1	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.02	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	114.2	161.8	-73.1	-178.2	-173.6	0	0	107.2	G154 A155 I499 A573 T651 R653 I658	G154-M493 CarbonylContact C-O 3.59Å; G154-M493 WeakPolarHBondContact CA-O 3.47Å; A155-M493 PolarHBondContact N-O 3.28Å; A155-M493 PolarHBondContact O-N 3.08Å; M493-I499 HydrophobicContact CE-CB 4.33Å; M493-I499 HydrophobicContact CE-CD1 4.08Å; M493-I499 HydrophobicContact CE-CG1 3.95Å; M493-I499 HydrophobicContact CE-CG2 3.6Å; M493-I499 HydrophobicContact CG-CB 4.42Å; M493-I499 HydrophobicContact CG-CG1 4.17Å; M493-I499 HydrophobicContact CG-CG2 4.25Å; M493-I499 HydrophobicContact SD-CG1 4.41Å; M493-A573 HydrophobicContact CE-CB 4.14Å; M493-T651 WeakPolarHBondContact CE-O 3.38Å; M493-T651 WeakPolarHBondContact CE-OG1 2.93Å; M493-T651 WeakPolarHBondContact CG-OG1 3.4Å; M493-R653 HydrophobicContact SD-CB 3.76Å; M493-I658 HydrophobicContact CB-CD1 4.46Å; M493-I658 HydrophobicContact CB-CG2 3.65Å; M493-I658 HydrophobicContact SD-CG2 4.39Å
494	G	92.1	Very high	93.3	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.01	6%	0.059	C	C	.	.			trans	-107.6	-174.8	179.6	0	0	0	0	0	112.8	Q153 S177 D496	Q153-G494 CarbonylContact O-C 3.51Å; S177-G494 WeakPolarHBondContact OG-CA 3.45Å; S177-G494 PolarHBondContact OG-N 3.1Å; G494-D496 PolarHBondContact O-N 2.93Å
495	P	88.7	Confident	94.8	Very high	44 Å²	44	7.5 Å²	7.5	29%	0.286	5%	0.047	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.4	-179.6	31.9	-36.6	0	0	0	113.2	N152 Q153 D497	N152-P495 HydrophobicContact CB-CB 4.35Å; N152-P495 HydrophobicContact CB-CG 4.18Å; Q153-P495 WeakPolarHBondContact O-CD 3.36Å; Q153-P495 VanDerWaalsContact O-N 3.16Å; P495-D497 VanDerWaalsContact C-N 3.29Å
496	D	91.6	Very high	95.8	Very high	20 Å²	20	7.2 Å²	7.2	11%	0.107	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	6.9	179.6	66	-20	0	0	0	113.5	S176 S177 G494 H498	S176-D496 WeakPolarHBondContact CA-OD2 3.37Å; S176-D496 VanDerWaalsContact CB-OD2 3.3Å; S176-D496 WeakPolarHBondContact CB-OD2 3.11Å; S177-D496 WeakPolarHBondContact CB-OD1 3.49Å; S177-D496 PolarHBondContact N-OD2 3.3Å; S177-D496 PolarHBondContact OG-OD1 3.28Å; G494-D496 PolarHBondContact O-N 2.93Å; D496-H498 VanDerWaalsContact CG-ND1 3.26Å; D496-H498 PolarHBondContact O-N 3.31Å; D496-H498 PolarHBondContact OD1-N 3.2Å; D496-H498 IonicContact OD1-ND1 2.84Å; D496-H498 IonicContact OD2-CE1 3.48Å; D496-H498 IonicContact OD2-CG 2.72Å; D496-H498 IonicContact OD2-ND1 3.14Å; D496-H498 PolarHBondContact OD2-ND1 2.99Å
497	D	91.9	Very high	96.2	Very high	29 Å²	29	6.1 Å²	6.1	16%	0.155	4%	0.035	C	C	.	.	S	Bend	trans	59.8	26.1	179.5	-55	-64	0	0	0	114.2	I209 R210 P495 R653	I209-D497 HydrophobicContact CB-CB 4.13Å; I209-D497 WeakPolarHBondContact CB-O 3.46Å; I209-D497 HydrophobicContact CD1-CB 4.32Å; I209-D497 VanDerWaalsContact CG1-O 3.3Å; I209-D497 WeakPolarHBondContact CG1-O 3.34Å; I209-D497 PolarHBondContact N-O 3.48Å; R210-D497 HydrophobicContact CG-CB 4.03Å; R210-D497 IonicContact CZ-OD2 2.65Å; R210-D497 IonicContact NE-OD2 3.11Å; R210-D497 PolarHBondContact NE-OD2 2.78Å; R210-D497 IonicContact NH2-OD2 3.61Å; R210-D497 PolarHBondContact NH2-OD2 2.84Å; P495-D497 VanDerWaalsContact C-N 3.29Å; D497-R653 IonicContact OD1-CZ 2.66Å; D497-R653 IonicContact OD1-NH1 3.17Å; D497-R653 PolarHBondContact OD1-NH1 3.21Å; D497-R653 IonicContact OD1-NH2 2.54Å; D497-R653 PolarHBondContact OD1-NH2 2.86Å
498	H	96.4	Very high	96.1	Very high	21 Å²	21	8.9 Å²	8.9	10%	0.097	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136	167	-67.6	111.5	0	0	0	110.4	S177 V206 H207 N208 Y260 D496 V500	S177-H498 PolarHBondContact OG-O 3.36Å; V206-H498 HydrophobicContact CG1-CB 4.45Å; H207-H498 CarbonylContact O-C 3.59Å; H207-H498 WeakPolarHBondContact O-CA 3.02Å; N208-H498 PolarHBondContact ND2-NE2 3.32Å; Y260-H498 AromaticContact CD1-NE2 3.83Å; D496-H498 VanDerWaalsContact CG-ND1 3.26Å; D496-H498 PolarHBondContact O-N 3.31Å; D496-H498 PolarHBondContact OD1-N 3.2Å; D496-H498 IonicContact OD1-ND1 2.84Å; D496-H498 IonicContact OD2-CE1 3.48Å; D496-H498 IonicContact OD2-CG 2.72Å; D496-H498 IonicContact OD2-ND1 3.14Å; D496-H498 PolarHBondContact OD2-ND1 2.99Å; H498-V500 HydrophobicContact CB-CG2 4.25Å
499	I	97.7	Very high	96	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.5	168	-55.9	173.2	0	0	0	106.6	V206 H207 I209 M493 A560 Y571 A573	V206-I499 CarbonylContact C-O 3.37Å; V206-I499 WeakPolarHBondContact CA-O 3.38Å; H207-I499 HydrophobicContact CB-CB 4.23Å; H207-I499 PolarHBondContact N-O 3.16Å; H207-I499 PolarHBondContact O-N 3.03Å; I209-I499 HydrophobicContact CD1-CD1 4.03Å; I209-I499 HydrophobicContact CD1-CG1 3.98Å; I209-I499 HydrophobicContact CG1-CD1 4.06Å; I209-I499 HydrophobicContact CG1-CG1 4.18Å; M493-I499 HydrophobicContact CE-CB 4.33Å; M493-I499 HydrophobicContact CE-CD1 4.08Å; M493-I499 HydrophobicContact CE-CG1 3.95Å; M493-I499 HydrophobicContact CE-CG2 3.6Å; M493-I499 HydrophobicContact CG-CB 4.42Å; M493-I499 HydrophobicContact CG-CG1 4.17Å; M493-I499 HydrophobicContact CG-CG2 4.25Å; M493-I499 HydrophobicContact SD-CG1 4.41Å; I499-A560 HydrophobicContact CG2-CB 4.15Å; I499-Y571 HydrophobicContact CD1-CD1 3.57Å; I499-Y571 HydrophobicContact CD1-CG 3.99Å; I499-A573 HydrophobicContact CG2-CB 3.4Å
500	V	98.7	Very high	95.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.2	-175.8	-172.4	0	0	0	0	109.5	V178 A181 M204 L205 V206 M491 V492 H498 V502	V178-V500 HydrophobicContact CG2-CG2 3.71Å; A181-V500 HydrophobicContact CB-CB 4.37Å; A181-V500 HydrophobicContact CB-CG1 3.6Å; M204-V500 HydrophobicContact CG-CG1 4.16Å; M204-V500 HydrophobicContact SD-CG1 4.32Å; L205-V500 WeakPolarHBondContact O-CA 3.48Å; V206-V500 HydrophobicContact CG1-CG2 4.35Å; V206-V500 HydrophobicContact CG2-CG1 4.34Å; V206-V500 HydrophobicContact CG2-CG2 4.42Å; M491-V500 WeakPolarHBondContact CA-O 3.35Å; V492-V500 HydrophobicContact CB-CB 4.3Å; V492-V500 PolarHBondContact N-O 3.47Å; V492-V500 PolarHBondContact O-N 3.36Å; H498-V500 HydrophobicContact CB-CG2 4.25Å; V500-V502 HydrophobicContact CG1-CG2 4.01Å
501	S	98.6	Very high	95.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.7	171.7	178.8	0	0	0	0	108.6	M204 L205 M491 P558 T559 V574	M204-S501 CarbonylContact C-O 3.59Å; M204-S501 WeakPolarHBondContact CA-O 3.34Å; L205-S501 PolarHBondContact N-O 2.59Å; L205-S501 PolarHBondContact O-N 2.99Å; M491-S501 WeakPolarHBondContact CE-OG 3.35Å; M491-S501 VanDerWaalsContact SD-CB 3.54Å; M491-S501 PolarHBondContact SD-OG 3.28Å; S501-P558 WeakPolarHBondContact O-CB 3.24Å; S501-P558 WeakPolarHBondContact OG-CA 3.4Å; S501-P558 WeakPolarHBondContact OG-CB 3.22Å; S501-T559 PolarHBondContact OG-N 3.24Å; S501-V574 PolarHBondContact OG-O 3.37Å
502	V	98.6	Very high	95.6	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134	177.5	-168	0	0	0	0	108.3	A181 V203 M204 F219 M253 Q489 V490 V500	A181-V502 HydrophobicContact CB-CG2 4.02Å; V203-V502 WeakPolarHBondContact O-CA 3.29Å; M204-V502 HydrophobicContact CB-CG1 4.41Å; M204-V502 HydrophobicContact CB-CG2 4.21Å; M204-V502 HydrophobicContact CE-CG1 4.46Å; M204-V502 HydrophobicContact CE-CG2 3.59Å; M204-V502 HydrophobicContact CG-CG2 3.94Å; M204-V502 HydrophobicContact SD-CG2 4.47Å; F219-V502 HydrophobicContact CZ-CG1 4.12Å; M253-V502 HydrophobicContact CE-CG1 4.18Å; Q489-V502 CarbonylContact C-O 3.47Å; Q489-V502 VanDerWaalsContact CA-O 3.28Å; Q489-V502 WeakPolarHBondContact CA-O 3.44Å; V490-V502 HydrophobicContact CB-CB 4.09Å; V490-V502 HydrophobicContact CB-CG2 4.31Å; V490-V502 PolarHBondContact N-O 3.3Å; V490-V502 PolarHBondContact O-N 3.23Å; V500-V502 HydrophobicContact CG1-CG2 4.01Å
503	V	98.3	Very high	95.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.4	168.1	-167	0	0	0	0	108	G202 V203 A487 A488 M491 L556 P558	G202-V503 WeakPolarHBondContact CA-O 3.35Å; V203-V503 PolarHBondContact N-O 3.28Å; V203-V503 PolarHBondContact O-N 2.83Å; A487-V503 HydrophobicContact CB-CG1 3.79Å; A488-V503 CarbonylContact O-C 3.55Å; A488-V503 WeakPolarHBondContact O-CA 3.24Å; M491-V503 HydrophobicContact CE-CG2 4.4Å; V503-L556 HydrophobicContact CB-CB 4.33Å; V503-L556 HydrophobicContact CG1-CB 4.24Å; V503-L556 HydrophobicContact CG1-CD2 3.65Å; V503-L556 HydrophobicContact CG1-CG 4.46Å; V503-P558 HydrophobicContact CG2-CB 4.09Å
504	S	97.8	Very high	95.3	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.007	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155.2	-174.8	57.7	0	0	0	0	111.7	S196 G201 A487 A488	S196-S504 VanDerWaalsContact OG-CB 3.28Å; S196-S504 WeakPolarHBondContact OG-CB 3.24Å; S196-S504 PolarHBondContact OG-OG 3.47Å; G201-S504 CarbonylContact O-C 3.58Å; G201-S504 VanDerWaalsContact O-CA 3.3Å; G201-S504 WeakPolarHBondContact O-CA 3.26Å; G201-S504 WeakPolarHBondContact O-CB 3.34Å; A487-S504 CarbonylContact C-O 3.53Å; A487-S504 VanDerWaalsContact CA-O 3.26Å; A487-S504 WeakPolarHBondContact CA-O 3.41Å; A487-S504 WeakPolarHBondContact CB-O 3.31Å; A488-S504 PolarHBondContact N-O 3.47Å; A488-S504 PolarHBondContact O-N 3.35Å
505	S	97.4	Very high	95.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	155.7	-171.8	-176.1	0	0	0	0	113.4	T195 G201 A485 A486 N507	T195-S505 CarbonylContact O-C 3.58Å; T195-S505 VanDerWaalsContact O-CA 3.23Å; T195-S505 WeakPolarHBondContact O-CA 3.3Å; G201-S505 PolarHBondContact N-O 2.91Å; G201-S505 PolarHBondContact O-N 2.55Å; A485-S505 WeakPolarHBondContact CB-OG 3.06Å; A486-S505 WeakPolarHBondContact O-CB 3.26Å; A486-S505 PolarHBondContact O-OG 3.49Å; S505-N507 WeakPolarHBondContact OG-CA 3.17Å; S505-N507 PolarHBondContact OG-N 3.03Å
506	L	97.1	Very high	96	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.068	C	C	.	.			trans	-100.7	7.9	164.2	-71	169.9	0	0	0	112.4	P193 T195 K508 G511 L521 N523 S524	P193-L506 WeakPolarHBondContact O-CD1 3.48Å; T195-L506 PolarHBondContact O-N 3.1Å; L506-K508 PolarHBondContact O-N 3.14Å; L506-G511 VanDerWaalsContact O-CA 3.27Å; L506-G511 WeakPolarHBondContact O-CA 3.45Å; L506-L521 HydrophobicContact CD1-CD2 3.81Å; L506-L521 HydrophobicContact CD1-CG 4.24Å; L506-N523 HydrophobicContact CD2-CB 4.07Å; L506-N523 WeakPolarHBondContact O-CA 3.31Å; L506-S524 PolarHBondContact O-N 3.38Å; L506-S524 PolarHBondContact O-OG 3.34Å
507	N	95	Very high	96.2	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	10%	0.097	C	C	.	.	S	Bend	trans	73.3	-98.6	-167.4	-172.2	-84	0	0	0	113.7	A485 A486 S505 S524 D528	A485-N507 CarbonylContact C-O 3.47Å; A485-N507 WeakPolarHBondContact CA-O 3.1Å; A486-N507 PolarHBondContact N-O 3.15Å; S505-N507 WeakPolarHBondContact OG-CA 3.17Å; S505-N507 PolarHBondContact OG-N 3.03Å; N507-S524 WeakPolarHBondContact CB-OG 3.29Å; N507-S524 PolarHBondContact OD1-O 3.12Å; N507-S524 PolarHBondContact OD1-OG 3.41Å; N507-D528 PolarHBondContact ND2-OD1 2.58Å; N507-D528 PolarHBondContact ND2-OD2 2.72Å
508	K	92.8	Very high	96.3	Very high	61 Å²	61	17 Å²	17	27%	0.265	10%	0.104	S	C	.	.	S	Bend	trans	-77	163.5	177.1	-68.3	-53.9	-178.9	-173.5	0	110.6	D483 L506 F510 G511 S524 L527	D483-K508 PolarHBondContact O-NZ 3.11Å; L506-K508 PolarHBondContact O-N 3.14Å; K508-F510 PolarHBondContact O-N 3.22Å; K508-F510 VanDerWaalsContact O-N 3.1Å; K508-G511 WeakPolarHBondContact O-CA 3.38Å; K508-G511 PolarHBondContact O-N 3.34Å; K508-S524 PolarHBondContact N-OG 2.78Å; K508-S524 VanDerWaalsContact N-OG 3.14Å; K508-L527 HydrophobicContact CG-CD1 3.7Å
509	P	94	Very high	96.3	Very high	57 Å²	57	16.2 Å²	16.2	37%	0.37	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	119.9	172.3	-30.1	36.9	0	0	0	112.5	H194 A486 G511	H194-P509 CarbonylContact O-C 3.44Å; H194-P509 WeakPolarHBondContact O-CA 3.46Å; A486-P509 HydrophobicContact CB-CG 4.44Å; P509-G511 VanDerWaalsContact C-N 3.27Å; P509-G511 PolarHBondContact O-N 3.23Å
510	F	95.8	Very high	96.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	22.4	-171.3	-52.9	-86.3	0	0	0	115.8	H194 L286 A289 V290 V293 F302 F306 K508 S512 R513 L521	H194-F510 HydrophobicContact CB-CD1 3.99Å; H194-F510 HydrophobicContact CB-CD2 3.94Å; H194-F510 HydrophobicContact CB-CE1 3.66Å; H194-F510 HydrophobicContact CB-CE2 3.59Å; H194-F510 HydrophobicContact CB-CG 4.13Å; H194-F510 HydrophobicContact CB-CZ 3.44Å; H194-F510 VanDerWaalsContact CB-CZ 3.44Å; H194-F510 PolarHBondContact O-N 3.4Å; L286-F510 HydrophobicContact CD1-CE1 4.17Å; L286-F510 HydrophobicContact CD1-CZ 4.08Å; A289-F510 HydrophobicContact CB-CE2 3.78Å; A289-F510 HydrophobicContact CB-CZ 4.05Å; V290-F510 HydrophobicContact CB-CZ 4.46Å; V290-F510 HydrophobicContact CG2-CE1 4.28Å; V290-F510 HydrophobicContact CG2-CE2 4.47Å; V290-F510 HydrophobicContact CG2-CZ 3.59Å; V293-F510 HydrophobicContact CG1-CD2 4.13Å; V293-F510 HydrophobicContact CG1-CE2 4.39Å; V293-F510 HydrophobicContact CG2-CD2 3.99Å; V293-F510 HydrophobicContact CG2-CE2 3.81Å; F302-F510 HydrophobicContact CE2-CB 3.78Å; F302-F510 AromaticContact CE2-CD1 3.68Å; F302-F510 HydrophobicContact CE2-CD1 3.68Å; F302-F510 HydrophobicContact CE2-CD2 4.45Å; F302-F510 HydrophobicContact CE2-CE1 4.35Å; F302-F510 AromaticContact CE2-CG 3.73Å; F302-F510 HydrophobicContact CE2-CG 3.73Å; F302-F510 HydrophobicContact CZ-CB 4.33Å; F302-F510 AromaticContact CZ-CD1 3.92Å; F302-F510 HydrophobicContact CZ-CD1 3.92Å; F302-F510 HydrophobicContact CZ-CD2 4.19Å; F302-F510 HydrophobicContact CZ-CE1 4.22Å; F302-F510 HydrophobicContact CZ-CE2 4.47Å; F302-F510 AromaticContact CZ-CG 3.9Å; F302-F510 HydrophobicContact CZ-CG 3.9Å; F302-F510 HydrophobicContact CZ-CZ 4.48Å; F306-F510 HydrophobicContact CD1-CE1 4.25Å; F306-F510 HydrophobicContact CE1-CE1 4.17Å; F306-F510 HydrophobicContact CE2-CD1 4.41Å; F306-F510 HydrophobicContact CZ-CD1 4.39Å; F306-F510 HydrophobicContact CZ-CE1 4.32Å; K508-F510 PolarHBondContact O-N 3.22Å; K508-F510 VanDerWaalsContact O-N 3.1Å; F510-S512 PolarHBondContact O-N 3.27Å; F510-R513 HydrophobicContact CB-CG 4.29Å; F510-R513 WeakPolarHBondContact O-CA 3.5Å; F510-R513 PolarHBondContact O-N 2.71Å; F510-L521 HydrophobicContact CB-CD1 4.38Å; F510-L521 HydrophobicContact CB-CD2 4.05Å; F510-L521 HydrophobicContact CD1-CD2 3.89Å; F510-L521 HydrophobicContact CG-CD2 4.47Å; F510-L521 WeakPolarHBondContact O-CD1 3.03Å
511	G	95.1	Very high	96.3	Very high	5 Å²	5	16.7 Å²	16.7	5%	0.052	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-127.4	180	0	0	0	0	0	113.4	L506 K508 P509 R513	L506-G511 VanDerWaalsContact O-CA 3.27Å; L506-G511 WeakPolarHBondContact O-CA 3.45Å; K508-G511 WeakPolarHBondContact O-CA 3.38Å; K508-G511 PolarHBondContact O-N 3.34Å; P509-G511 VanDerWaalsContact C-N 3.27Å; P509-G511 PolarHBondContact O-N 3.23Å; G511-R513 PolarHBondContact O-N 2.94Å
512	S	94.8	Very high	96.3	Very high	10 Å²	10	16.7 Å²	16.7	7%	0.07	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-10.2	177.5	63.7	0	0	0	0	113.7	F510 I514 L522 N523	F510-S512 PolarHBondContact O-N 3.27Å; S512-I514 PolarHBondContact O-N 2.98Å; S512-I514 WeakPolarHBondContact OG-CB 3.46Å; S512-I514 PolarHBondContact OG-N 2.67Å; S512-L522 PolarHBondContact N-O 3.29Å; S512-L522 PolarHBondContact OG-O 2.9Å; S512-N523 WeakPolarHBondContact CB-O 3.44Å; S512-N523 PolarHBondContact N-O 3.26Å
513	R	94.4	Very high	96.3	Very high	53 Å²	53	16.6 Å²	16.6	20%	0.2	10%	0.104	C	C	.	.			trans	60.5	14.8	-169.8	-44.5	-176.6	-166.1	122.8	11.5	114.1	V298 S299 F302 F510 G511	V298-R513 HydrophobicContact CG1-CB 4.32Å; S299-R513 PolarHBondContact OG-O 3.39Å; F302-R513 HydrophobicContact CD2-CB 4.31Å; F510-R513 HydrophobicContact CB-CG 4.29Å; F510-R513 WeakPolarHBondContact O-CA 3.5Å; F510-R513 PolarHBondContact O-N 2.71Å; G511-R513 PolarHBondContact O-N 2.94Å
514	I	95.5	Very high	96.2	Very high	7 Å²	7	16.7 Å²	16.7	4%	0.036	10%	0.104	C	C	.	.			trans	-83.9	122.8	168	-59	174.6	0	0	0	107.3	A240 V244 A351 K355 S512 L522	A240-I514 HydrophobicContact CB-CD1 4.12Å; A240-I514 HydrophobicContact CB-CG1 4.36Å; V244-I514 HydrophobicContact CG2-CD1 4.3Å; A351-I514 HydrophobicContact CB-CG2 3.99Å; K355-I514 HydrophobicContact CB-CD1 3.8Å; K355-I514 HydrophobicContact CG-CD1 3.88Å; K355-I514 HydrophobicContact CG-CG1 4.19Å; S512-I514 PolarHBondContact O-N 2.98Å; S512-I514 WeakPolarHBondContact OG-CB 3.46Å; S512-I514 PolarHBondContact OG-N 2.67Å; I514-L522 HydrophobicContact CB-CD1 4.32Å; I514-L522 HydrophobicContact CG2-CD1 3.95Å; I514-L522 PolarHBondContact O-N 2.99Å
515	V	97.1	Very high	96.1	Very high	6 Å²	6	16.7 Å²	16.7	4%	0.036	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-110.4	129.9	169.8	179.4	0	0	0	0	107	E301 F302 L305 F306 I520 L521	E301-V515 HydrophobicContact CB-CB 3.82Å; E301-V515 HydrophobicContact CB-CG1 4.04Å; F302-V515 HydrophobicContact CB-CG2 3.96Å; F302-V515 HydrophobicContact CD2-CG2 3.96Å; F302-V515 HydrophobicContact CG-CG2 4.44Å; L305-V515 HydrophobicContact CD2-CG1 4.13Å; F306-V515 HydrophobicContact CE2-CG2 4.36Å; V515-I520 CarbonylContact C-O 3.58Å; V515-I520 WeakPolarHBondContact CA-O 3.3Å; V515-L521 HydrophobicContact CG2-CB 4.47Å; V515-L521 HydrophobicContact CG2-CD1 3.64Å
516	T	97.3	Very high	96	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	11%	0.105	C	C	.	.			trans	-73.5	167.6	177.4	76.6	0	0	0	0	111.4	D347 M348 A351 S518 G519 I520 L522	D347-T516 WeakPolarHBondContact OD2-CB 3.39Å; D347-T516 PolarHBondContact OD2-OG1 3.09Å; M348-T516 HydrophobicContact CB-CG2 4.32Å; M348-T516 HydrophobicContact CG-CG2 3.73Å; A351-T516 HydrophobicContact CB-CG2 3.96Å; T516-S518 PolarHBondContact O-N 3.33Å; T516-S518 PolarHBondContact OG1-N 3.05Å; T516-G519 PolarHBondContact O-N 3.47Å; T516-G519 PolarHBondContact OG1-N 2.91Å; T516-I520 HydrophobicContact CG2-CB 4Å; T516-I520 PolarHBondContact N-O 3.26Å; T516-I520 PolarHBondContact OG1-N 3.17Å; T516-L522 HydrophobicContact CG2-CD1 4.14Å; T516-L522 HydrophobicContact CG2-CD2 4.44Å; T516-L522 HydrophobicContact CG2-CG 4.31Å
517	A	95.7	Very high	95.8	Very high	87 Å²	87	18.1 Å²	18.1	72%	0.719	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.6	178.1	0	0	0	0	0	112.2	D347 G519	D347-A517 WeakPolarHBondContact OD1-CB 3.45Å; D347-A517 PolarHBondContact OD1-N 3.03Å; D347-A517 PolarHBondContact OD2-N 2.99Å; A517-G519 VanDerWaalsContact C-N 3.31Å
518	S	95.6	Very high	95.7	Very high	42 Å²	42	19.4 Å²	19.4	29%	0.294	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.5	174.2	-46.1	0	0	0	0	114	I327 D347 T516	I327-S518 WeakPolarHBondContact CD1-O 3.27Å; D347-S518 WeakPolarHBondContact OD2-CB 3.34Å; D347-S518 PolarHBondContact OD2-N 2.91Å; D347-S518 PolarHBondContact OD2-OG 3.32Å; T516-S518 PolarHBondContact O-N 3.33Å; T516-S518 PolarHBondContact OG1-N 3.05Å
519	G	96.1	Very high	95.7	Very high	5 Å²	5	16.6 Å²	16.6	5%	0.052	11%	0.106	C	C	.	.			trans	97.6	13.4	177.8	0	0	0	0	0	116.1	R321 D323 T516 A517	R321-G519 PolarHBondContact NH2-O 2.79Å; D323-G519 WeakPolarHBondContact OD2-CA 3.46Å; T516-G519 PolarHBondContact O-N 3.47Å; T516-G519 PolarHBondContact OG1-N 2.91Å; A517-G519 VanDerWaalsContact C-N 3.31Å
520	I	98	Very high	95.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-82.3	121.2	178.6	-58.4	170.2	0	0	0	109.7	I198 I327 F339 L344 M348 V515 T516 L522	I198-I520 HydrophobicContact CD1-CG1 4.2Å; I198-I520 HydrophobicContact CG1-CG2 4.26Å; I327-I520 HydrophobicContact CD1-CD1 4.16Å; I327-I520 HydrophobicContact CD1-CG1 3.59Å; F339-I520 HydrophobicContact CD2-CD1 4.38Å; F339-I520 HydrophobicContact CE2-CD1 3.83Å; L344-I520 HydrophobicContact CB-CD1 4.27Å; L344-I520 HydrophobicContact CD2-CD1 4.22Å; M348-I520 HydrophobicContact CE-CD1 4.47Å; M348-I520 HydrophobicContact CG-CD1 4.18Å; M348-I520 HydrophobicContact SD-CD1 4.12Å; M348-I520 HydrophobicContact SD-CG2 4.21Å; V515-I520 CarbonylContact C-O 3.58Å; V515-I520 WeakPolarHBondContact CA-O 3.3Å; T516-I520 HydrophobicContact CG2-CB 4Å; T516-I520 PolarHBondContact N-O 3.26Å; T516-I520 PolarHBondContact OG1-N 3.17Å; I520-L522 HydrophobicContact CG2-CD2 3.92Å
521	L	97.9	Very high	95.1	Very high	11 Å²	11	15.3 Å²	15.3	6%	0.058	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-84.6	126.2	172.7	-178.4	66.1	0	0	0	110.6	P193 G199 F302 F306 L506 F510 V515	P193-L521 VanDerWaalsContact O-CD2 3.25Å; P193-L521 WeakPolarHBondContact O-CD2 3.43Å; G199-L521 WeakPolarHBondContact CA-O 3.43Å; F302-L521 HydrophobicContact CD2-CD1 4.19Å; F302-L521 HydrophobicContact CE2-CD1 4.37Å; F306-L521 HydrophobicContact CE2-CD2 4.5Å; F306-L521 HydrophobicContact CZ-CD2 4.43Å; L506-L521 HydrophobicContact CD1-CD2 3.81Å; L506-L521 HydrophobicContact CD1-CG 4.24Å; F510-L521 HydrophobicContact CB-CD1 4.38Å; F510-L521 HydrophobicContact CB-CD2 4.05Å; F510-L521 HydrophobicContact CD1-CD2 3.89Å; F510-L521 HydrophobicContact CG-CD2 4.47Å; F510-L521 WeakPolarHBondContact O-CD1 3.03Å; V515-L521 HydrophobicContact CG2-CB 4.47Å; V515-L521 HydrophobicContact CG2-CD1 3.64Å
522	L	98	Very high	94.3	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-99.4	139.9	-171.6	-60.3	178.5	0	0	0	113.5	V244 P247 M348 V352 S512 I514 T516 I520	V244-L522 HydrophobicContact CG1-CB 4.08Å; V244-L522 HydrophobicContact CG1-CD1 4.27Å; V244-L522 HydrophobicContact CG2-CB 4.06Å; V244-L522 HydrophobicContact CG2-CD1 4.42Å; P247-L522 HydrophobicContact CG-CD2 4.49Å; M348-L522 HydrophobicContact CG-CD2 3.99Å; M348-L522 HydrophobicContact SD-CD2 3.93Å; V352-L522 HydrophobicContact CG2-CD1 3.49Å; V352-L522 VanDerWaalsContact CG2-CD1 3.49Å; S512-L522 PolarHBondContact N-O 3.29Å; S512-L522 PolarHBondContact OG-O 2.9Å; I514-L522 HydrophobicContact CB-CD1 4.32Å; I514-L522 HydrophobicContact CG2-CD1 3.95Å; I514-L522 PolarHBondContact O-N 2.99Å; T516-L522 HydrophobicContact CG2-CD1 4.14Å; T516-L522 HydrophobicContact CG2-CD2 4.44Å; T516-L522 HydrophobicContact CG2-CG 4.31Å; I520-L522 HydrophobicContact CG2-CD2 3.92Å
523	N	98.1	Very high	92.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-59.1	163.9	178.5	68.2	78.7	0	0	0	113.8	G199 E221 G245 L506 S512 Q525	G199-N523 WeakPolarHBondContact O-CB 3.5Å; G199-N523 PolarHBondContact O-N 3.43Å; G199-N523 VanDerWaalsContact O-N 3.11Å; G199-N523 PolarHBondContact O-ND2 3.02Å; E221-N523 WeakPolarHBondContact OE1-CB 3.33Å; G245-N523 PolarHBondContact N-OD1 3.17Å; G245-N523 PolarHBondContact O-ND2 3.42Å; L506-N523 HydrophobicContact CD2-CB 4.07Å; L506-N523 WeakPolarHBondContact O-CA 3.31Å; S512-N523 WeakPolarHBondContact CB-O 3.44Å; S512-N523 PolarHBondContact N-O 3.26Å; N523-Q525 HydrophobicContact CB-CB 4.21Å; N523-Q525 WeakPolarHBondContact OD1-CB 3.35Å; N523-Q525 PolarHBondContact OD1-N 3.49Å
524	S	96.2	Very high	91.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	14%	0.141	C	C	.	.			trans	-113.1	39	165.7	62.1	0	0	0	0	111.4	L243 L506 N507 K508 I526 L527	L243-S524 CarbonylContact O-C 3.59Å; L243-S524 VanDerWaalsContact O-CA 3.25Å; L243-S524 WeakPolarHBondContact O-CA 3.27Å; L506-S524 PolarHBondContact O-N 3.38Å; L506-S524 PolarHBondContact O-OG 3.34Å; N507-S524 WeakPolarHBondContact CB-OG 3.29Å; N507-S524 PolarHBondContact OD1-O 3.12Å; N507-S524 PolarHBondContact OD1-OG 3.41Å; K508-S524 PolarHBondContact N-OG 2.78Å; K508-S524 VanDerWaalsContact N-OG 3.14Å; S524-I526 PolarHBondContact O-N 2.9Å; S524-L527 WeakPolarHBondContact O-CB 3.39Å; S524-L527 WeakPolarHBondContact O-CG 3.4Å; S524-L527 PolarHBondContact O-N 2.97Å; S524-L527 VanDerWaalsContact O-N 3.13Å
525	Q	95.9	Very high	89.6	Confident	2 Å²	2	26 Å²	26	1%	0.009	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-66.5	-21.8	-164.6	-170.6	50.7	51.3	0	0	114.1	E221 L243 N523 L527 D528 P552	E221-Q525 HydrophobicContact CB-CB 4.03Å; E221-Q525 HydrophobicContact CB-CG 3.75Å; E221-Q525 HydrophobicContact CG-CB 4.17Å; E221-Q525 HydrophobicContact CG-CG 4.09Å; E221-Q525 WeakPolarHBondContact OE2-CG 3.38Å; L243-Q525 PolarHBondContact O-N 3.26Å; L243-Q525 VanDerWaalsContact O-N 3.08Å; N523-Q525 HydrophobicContact CB-CB 4.21Å; N523-Q525 WeakPolarHBondContact OD1-CB 3.35Å; N523-Q525 PolarHBondContact OD1-N 3.49Å; Q525-L527 PolarHBondContact O-N 2.93Å; Q525-D528 PolarHBondContact NE2-OD2 3.47Å; Q525-D528 PolarHBondContact O-N 3.49Å; Q525-P552 HydrophobicContact CG-CG 3.97Å
526	I	95.4	Very high	87.5	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-63	-21.7	176.7	-59.4	-56.6	0	0	0	112.2	A223 L232 L242 L243 S524 D528 F529 I546	A223-I526 HydrophobicContact CB-CD1 3.91Å; L232-I526 HydrophobicContact CD1-CG2 4.27Å; L232-I526 HydrophobicContact CD2-CG2 4.01Å; L242-I526 WeakPolarHBondContact O-CG1 3.15Å; L243-I526 WeakPolarHBondContact O-CB 3.14Å; L243-I526 WeakPolarHBondContact O-CG1 3.45Å; L243-I526 PolarHBondContact O-N 3.24Å; L243-I526 VanDerWaalsContact O-N 3.1Å; S524-I526 PolarHBondContact O-N 2.9Å; I526-D528 PolarHBondContact O-N 2.65Å; I526-D528 VanDerWaalsContact O-N 3.15Å; I526-F529 HydrophobicContact CD1-CD2 4.3Å; I526-F529 HydrophobicContact CD1-CE2 4.04Å; I526-F529 HydrophobicContact CG2-CD2 4.36Å; I526-F529 PolarHBondContact O-N 2.96Å; I526-F529 VanDerWaalsContact O-N 3.11Å; I526-I546 HydrophobicContact CD1-CD1 4.43Å; I526-I546 HydrophobicContact CG2-CD1 3.57Å
527	L	93.1	Very high	85.3	Confident	29 Å²	29	39.4 Å²	39.4	15%	0.152	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-63.8	-17.2	176.9	-66.6	177.9	0	0	0	114	L236 L243 K482 K508 S524 Q525 F529 W531	L236-L527 HydrophobicContact CD1-CD2 4.22Å; L243-L527 HydrophobicContact CD2-CD2 3.6Å; L243-L527 HydrophobicContact CD2-CG 3.97Å; K482-L527 PolarHBondContact NZ-O 3.4Å; K508-L527 HydrophobicContact CG-CD1 3.7Å; S524-L527 WeakPolarHBondContact O-CB 3.39Å; S524-L527 WeakPolarHBondContact O-CG 3.4Å; S524-L527 PolarHBondContact O-N 2.97Å; S524-L527 VanDerWaalsContact O-N 3.13Å; Q525-L527 PolarHBondContact O-N 2.93Å; L527-F529 VanDerWaalsContact C-N 3.32Å; L527-W531 HydrophobicContact CD2-CH2 4.01Å
528	D	93.2	Very high	83.8	Confident	28 Å²	28	37.4 Å²	37.4	15%	0.15	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-82.5	-7.3	176.7	-75.2	-14.9	0	0	0	113.2	R220 N507 Q525 I526 N544 P552	R220-D528 IonicContact CZ-OD2 2.75Å; R220-D528 IonicContact NH2-OD2 3.64Å; R220-D528 PolarHBondContact NH2-OD2 3.26Å; N507-D528 PolarHBondContact ND2-OD1 2.58Å; N507-D528 PolarHBondContact ND2-OD2 2.72Å; Q525-D528 PolarHBondContact NE2-OD2 3.47Å; Q525-D528 PolarHBondContact O-N 3.49Å; I526-D528 PolarHBondContact O-N 2.65Å; I526-D528 VanDerWaalsContact O-N 3.15Å; D528-N544 PolarHBondContact O-ND2 2.66Å; D528-P552 HydrophobicContact CB-CB 3.63Å; D528-P552 HydrophobicContact CB-CG 4Å
529	F	93.7	Very high	83	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.009	24%	0.235	C	C	.	.	S	Bend	trans	-76.3	159.1	167.6	-71.4	-72.8	0	0	0	111.3	A223 I526 L527 W531 N544 I546 K550 P552	A223-F529 HydrophobicContact CB-CE2 3.84Å; A223-F529 HydrophobicContact CB-CZ 4.06Å; I526-F529 HydrophobicContact CD1-CD2 4.3Å; I526-F529 HydrophobicContact CD1-CE2 4.04Å; I526-F529 HydrophobicContact CG2-CD2 4.36Å; I526-F529 PolarHBondContact O-N 2.96Å; I526-F529 VanDerWaalsContact O-N 3.11Å; L527-F529 VanDerWaalsContact C-N 3.32Å; F529-W531 HydrophobicContact CB-CE3 4.48Å; F529-W531 VanDerWaalsContact O-CE3 3.27Å; F529-W531 WeakPolarHBondContact O-CZ3 3.44Å; F529-N544 WeakPolarHBondContact CD1-O 3.34Å; F529-I546 HydrophobicContact CB-CB 4.04Å; F529-I546 HydrophobicContact CD1-CB 4.27Å; F529-I546 HydrophobicContact CD2-CB 4.26Å; F529-I546 HydrophobicContact CD2-CD1 4.1Å; F529-I546 HydrophobicContact CD2-CG1 3.95Å; F529-I546 HydrophobicContact CE2-CG1 4.24Å; F529-I546 HydrophobicContact CG-CB 3.93Å; F529-I546 HydrophobicContact CG-CG1 4.14Å; F529-K550 HydrophobicContact CE1-CB 4.18Å; F529-K550 HydrophobicContact CE1-CD 4.08Å; F529-K550 HydrophobicContact CE1-CG 3.98Å; F529-K550 HydrophobicContact CZ-CB 4.15Å; F529-K550 HydrophobicContact CZ-CG 4.37Å; F529-K550 WeakPolarHBondContact CZ-O 3.11Å; F529-P552 HydrophobicContact CD1-CB 3.98Å; F529-P552 HydrophobicContact CD2-CB 3.9Å; F529-P552 HydrophobicContact CD2-CG 4.48Å; F529-P552 HydrophobicContact CE1-CB 3.85Å; F529-P552 HydrophobicContact CE2-CB 3.75Å; F529-P552 HydrophobicContact CE2-CG 4.01Å; F529-P552 HydrophobicContact CG-CB 4.02Å; F529-P552 HydrophobicContact CZ-CB 3.73Å; F529-P552 HydrophobicContact CZ-CG 4.15Å
530	S	89.9	Confident	82.6	Confident	14 Å²	14	41.4 Å²	41.4	10%	0.098	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-97.4	145.7	167.9	-57.4	0	0	0	0	110.4	N544 L545	S530-N544 PolarHBondContact N-O 3.34Å; S530-L545 WeakPolarHBondContact O-CA 3.36Å; S530-L545 WeakPolarHBondContact O-CD2 3.44Å
531	W	86	Confident	82.3	Confident	16 Å²	16	41.5 Å²	41.5	6%	0.061	24%	0.244	C	C	.	.			trans	-146.9	156.7	171.2	57.4	90.6	0	0	0	111.6	E229 L232 L236 L527 F529 E534	E229-W531 HydrophobicContact CG-CB 4.18Å; L232-W531 HydrophobicContact CB-CD2 4.15Å; L232-W531 HydrophobicContact CB-CG 4.16Å; L232-W531 HydrophobicContact CD1-CB 4.37Å; L232-W531 HydrophobicContact CD1-CD2 3.82Å; L232-W531 HydrophobicContact CD1-CE3 3.63Å; L232-W531 HydrophobicContact CD1-CG 4.17Å; L232-W531 HydrophobicContact CD1-CZ3 4.13Å; L236-W531 HydrophobicContact CD1-CH2 4.26Å; L236-W531 HydrophobicContact CD1-CZ2 3.85Å; L527-W531 HydrophobicContact CD2-CH2 4.01Å; F529-W531 HydrophobicContact CB-CE3 4.48Å; F529-W531 VanDerWaalsContact O-CE3 3.27Å; F529-W531 WeakPolarHBondContact O-CZ3 3.44Å; W531-E534 HydrophobicContact CD2-CB 4.49Å; W531-E534 HydrophobicContact CG-CB 4.39Å; W531-E534 WeakPolarHBondContact CH2-OE1 3.41Å; W531-E534 WeakPolarHBondContact CZ2-OE1 3.39Å; W531-E534 WeakPolarHBondContact O-CB 3.48Å
532	P	78.4	Confident	82	Confident	41 Å²	41	44.1 Å²	44.1	27%	0.266	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	148.6	178.9	-23.8	35.3	0	0	0	112.8	E229 L233 E534 P540	E229-P532 VanDerWaalsContact CD-CD 3.46Å; E229-P532 WeakPolarHBondContact OE1-CD 3.45Å; E229-P532 WeakPolarHBondContact OE1-CG 3.35Å; L233-P532 VanDerWaalsContact CD2-O 3.3Å; L233-P532 WeakPolarHBondContact CD2-O 3.37Å; P532-E534 PolarHBondContact O-N 3.22Å; P532-E534 VanDerWaalsContact O-N 3.1Å; P532-P540 HydrophobicContact CG-CG 4.31Å
533	N	66.3	Low	81.8	Confident	128 Å²	128	45.5 Å²	45.5	68%	0.684	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	16.2	178.3	-59.9	-25.9	0	0	0	115.4	T535	N533-T535 VanDerWaalsContact C-N 3.3Å
534	E	63.7	Low	81.7	Confident	67 Å²	67	45.7 Å²	45.7	31%	0.313	27%	0.27	S	S	.	.	S	Bend	trans	-56.1	-46.5	169	167.5	141	-114.6	0	0	111.9	K482 W531 P532	K482-E534 WeakPolarHBondContact CE-OE1 3.34Å; K482-E534 WeakPolarHBondContact CE-OE2 3.27Å; K482-E534 IonicContact NZ-OE1 3.41Å; K482-E534 PolarHBondContact NZ-OE1 3.12Å; K482-E534 IonicContact NZ-OE2 2.71Å; K482-E534 PolarHBondContact NZ-OE2 3.04Å; K482-E534 VanDerWaalsContact NZ-OE2 3.17Å; W531-E534 HydrophobicContact CD2-CB 4.49Å; W531-E534 HydrophobicContact CG-CB 4.39Å; W531-E534 WeakPolarHBondContact CH2-OE1 3.41Å; W531-E534 WeakPolarHBondContact CZ2-OE1 3.39Å; W531-E534 WeakPolarHBondContact O-CB 3.48Å; P532-E534 PolarHBondContact O-N 3.22Å; P532-E534 VanDerWaalsContact O-N 3.1Å
535	T	56.6	Low	81.5	Confident	62 Å²	62	47.7 Å²	47.7	38%	0.38	28%	0.28	S	S	.	.	S	Bend	trans	-124.7	136.5	167	51.3	0	0	0	0	107.3	N533 S537 S538	N533-T535 VanDerWaalsContact C-N 3.3Å; T535-S537 PolarHBondContact O-N 3.32Å; T535-S538 PolarHBondContact OG1-OG 3.28Å
536	L	52.4	Low	81.4	Confident	179 Å²	179	48.1 Å²	48.1	94%	0.937	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-7.9	-176.1	-77.1	155.2	0	0	0	113.7
537	S	51.6	Low	81.3	Confident	112 Å²	112	51.9 Å²	51.9	78%	0.783	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-3	-164.4	52.6	0	0	0	0	116	T535	T535-S537 PolarHBondContact O-N 3.32Å
538	S	63.6	Low	81.4	Confident	45 Å²	45	52.5 Å²	52.5	32%	0.315	31%	0.309	S	S	.	.			trans	-148.7	145.9	-172.5	47.8	0	0	0	0	115	P480 T535	P480-S538 WeakPolarHBondContact CG-OG 3.06Å; T535-S538 PolarHBondContact OG1-OG 3.28Å
539	S	79.5	Confident	81.5	Confident	93 Å²	93	57 Å²	57	65%	0.65	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-74.4	138.1	177.6	-58.9	0	0	0	0	111.4	P480	P480-S539 WeakPolarHBondContact CD-O 3.43Å
540	P	87.6	Confident	81.7	Confident	37 Å²	37	57 Å²	57	24%	0.24	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-68.7	154.1	177.6	29.9	-35.2	0	0	0	111.2	P532 P542 L545	P532-P540 HydrophobicContact CG-CG 4.31Å; P540-P542 VanDerWaalsContact O-CD 3.32Å; P540-P542 WeakPolarHBondContact O-CD 3.18Å; P540-L545 HydrophobicContact CB-CD2 3.94Å; P540-L545 HydrophobicContact CG-CD2 4.08Å
541	N	91.1	Very high	82	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.011	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-65.8	116.2	170.5	173.1	-1.2	0	0	0	109.6	S433 L435 F479 H543 N544 L545	S433-N541 PolarHBondContact O-ND2 3.46Å; L435-N541 PolarHBondContact O-ND2 3.01Å; F479-N541 HydrophobicContact CB-CB 3.9Å; F479-N541 HydrophobicContact CD1-CB 3.99Å; F479-N541 HydrophobicContact CD2-CB 4.08Å; F479-N541 HydrophobicContact CG-CB 3.71Å; N541-H543 PolarHBondContact O-N 3.48Å; N541-H543 WeakPolarHBondContact OD1-CB 3.36Å; N541-H543 PolarHBondContact OD1-CD2 3.08Å; N541-H543 PolarHBondContact OD1-N 2.96Å; N541-N544 HydrophobicContact CB-CB 4.17Å; N541-N544 WeakPolarHBondContact ND2-CB 3.48Å; N541-N544 CarbonylContact O-C 3.39Å; N541-N544 PolarHBondContact O-N 2.96Å; N541-N544 PolarHBondContact OD1-N 2.89Å; N541-L545 PolarHBondContact O-N 2.76Å
542	P	91.8	Very high	82.4	Confident	66 Å²	66	56 Å²	56	43%	0.429	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-66.6	-24.4	-177.8	28.4	-35.2	0	0	0	113.2	F479 P540	F479-P542 HydrophobicContact CZ-CG 4.38Å; P540-P542 VanDerWaalsContact O-CD 3.32Å; P540-P542 WeakPolarHBondContact O-CD 3.18Å
543	H	94.1	Very high	83.2	Confident	30 Å²	30	55 Å²	55	14%	0.139	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-80.8	-22	179.1	-54.5	-74.4	0	0	0	112.5	G434 N441 S443 V444 N541 K550	G434-H543 PolarHBondContact O-CD2 3.24Å; G434-H543 VanDerWaalsContact O-CD2 3.3Å; N441-H543 PolarHBondContact ND2-ND1 3.22Å; N441-H543 VanDerWaalsContact ND2-ND1 3.19Å; S443-H543 PolarHBondContact OG-CE1 2.81Å; S443-H543 PolarHBondContact OG-ND1 3.43Å; V444-H543 HydrophobicContact CG2-CB 3.85Å; N541-H543 PolarHBondContact O-N 3.48Å; N541-H543 WeakPolarHBondContact OD1-CB 3.36Å; N541-H543 PolarHBondContact OD1-CD2 3.08Å; N541-H543 PolarHBondContact OD1-N 2.96Å; H543-K550 WeakPolarHBondContact O-CE 3.46Å; H543-K550 PolarHBondContact O-NZ 2.89Å
544	N	94.8	Very high	84.5	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-113.6	26.3	-178.3	-165.9	41.8	0	0	0	112.5	D528 F529 S530 N541 M553	D528-N544 PolarHBondContact O-ND2 2.66Å; F529-N544 WeakPolarHBondContact CD1-O 3.34Å; S530-N544 PolarHBondContact N-O 3.34Å; N541-N544 HydrophobicContact CB-CB 4.17Å; N541-N544 WeakPolarHBondContact ND2-CB 3.48Å; N541-N544 CarbonylContact O-C 3.39Å; N541-N544 PolarHBondContact O-N 2.96Å; N541-N544 PolarHBondContact OD1-N 2.89Å; N544-M553 HydrophobicContact CB-CB 4.43Å; N544-M553 PolarHBondContact OD1-N 3.34Å
545	L	93.7	Very high	86	Confident	43 Å²	43	46.8 Å²	46.8	23%	0.225	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-65.8	150.4	167	-63.4	176.3	0	0	0	110.7	S530 P540 N541 E547 K550	S530-L545 WeakPolarHBondContact O-CA 3.36Å; S530-L545 WeakPolarHBondContact O-CD2 3.44Å; P540-L545 HydrophobicContact CB-CD2 3.94Å; P540-L545 HydrophobicContact CG-CD2 4.08Å; N541-L545 PolarHBondContact O-N 2.76Å; L545-E547 PolarHBondContact O-N 2.99Å; L545-K550 PolarHBondContact O-NZ 2.87Å
546	I	93.1	Very high	87.8	Confident	11 Å²	11	44 Å²	44	6%	0.056	25%	0.251	C	S	.	.			trans	-70.1	127.4	178.6	-168.6	165.2	0	0	0	111.6	A223 I227 E229 L232 I526 F529	A223-I546 HydrophobicContact CB-CG1 4.31Å; I227-I546 HydrophobicContact CB-CD1 4.33Å; I227-I546 HydrophobicContact CG1-CD1 3.51Å; I227-I546 HydrophobicContact CG1-CG1 4.47Å; I227-I546 HydrophobicContact CG2-CD1 3.77Å; I227-I546 HydrophobicContact CG2-CG1 3.87Å; E229-I546 HydrophobicContact CB-CG2 3.89Å; E229-I546 HydrophobicContact CG-CG2 4.14Å; L232-I546 HydrophobicContact CD1-CB 4.36Å; L232-I546 HydrophobicContact CD1-CD1 3.78Å; L232-I546 HydrophobicContact CD1-CG2 3.91Å; I526-I546 HydrophobicContact CD1-CD1 4.43Å; I526-I546 HydrophobicContact CG2-CD1 3.57Å; F529-I546 HydrophobicContact CB-CB 4.04Å; F529-I546 HydrophobicContact CD1-CB 4.27Å; F529-I546 HydrophobicContact CD2-CB 4.26Å; F529-I546 HydrophobicContact CD2-CD1 4.1Å; F529-I546 HydrophobicContact CD2-CG1 3.95Å; F529-I546 HydrophobicContact CE2-CG1 4.24Å; F529-I546 HydrophobicContact CG-CB 3.93Å; F529-I546 HydrophobicContact CG-CG1 4.14Å
547	E	93.4	Very high	89.8	Confident	81 Å²	81	35.6 Å²	35.6	38%	0.379	21%	0.206	S	C	.	.			trans	-141.5	149.7	175.7	-63.4	174.7	-107.9	0	0	109.3	A223 F440 L545 R549 K550	A223-E547 WeakPolarHBondContact CB-O 3.46Å; F440-E547 HydrophobicContact CD1-CB 4.32Å; F440-E547 HydrophobicContact CE1-CB 4.32Å; L545-E547 PolarHBondContact O-N 2.99Å; E547-R549 PolarHBondContact O-N 3.35Å; E547-K550 HydrophobicContact CB-CB 4.08Å; E547-K550 HydrophobicContact CB-CD 3.85Å; E547-K550 HydrophobicContact CG-CD 4.17Å; E547-K550 VanDerWaalsContact O-CB 3.24Å; E547-K550 WeakPolarHBondContact O-CB 3.43Å; E547-K550 PolarHBondContact O-N 3.12Å; E547-K550 VanDerWaalsContact O-N 3.16Å; E547-K550 IonicContact OE1-NZ 3.68Å; E547-K550 PolarHBondContact OE1-NZ 3.41Å
548	A	94.7	Very high	92	Very high	42 Å²	42	30.2 Å²	30.2	35%	0.347	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	130.5	178.3	0	0	0	0	0	111.7	S225 F440 K550	S225-A548 WeakPolarHBondContact O-CB 3.39Å; F440-A548 WeakPolarHBondContact CE1-O 3.2Å; F440-A548 WeakPolarHBondContact CZ-O 3.41Å; A548-K550 PolarHBondContact O-N 3.48Å; A548-K550 VanDerWaalsContact O-N 3.11Å
549	R	96.1	Very high	93.7	Very high	122 Å²	122	28.1 Å²	28.1	46%	0.46	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	1.8	178.1	-51.2	177	-179.2	168.7	-1.8	115.9	T222 A223 E362 N366 E547	T222-R549 WeakPolarHBondContact CB-O 3.4Å; T222-R549 WeakPolarHBondContact CG2-O 3.48Å; A223-R549 VanDerWaalsContact O-CA 3.26Å; A223-R549 WeakPolarHBondContact O-CA 3.3Å; A223-R549 PolarHBondContact O-N 3.42Å; E362-R549 IonicContact OE1-NH2 3.19Å; N366-R549 PolarHBondContact ND2-NH2 3.41Å; E547-R549 PolarHBondContact O-N 3.35Å
550	K	96.8	Very high	94.6	Very high	1 Å²	1	23.7 Å²	23.7	0%	0.004	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-71.1	150.1	178.1	-169.1	170.8	175.6	-176.7	0	111.3	T222 A223 D437 F440 F529 H543 L545 E547 A548	T222-K550 WeakPolarHBondContact CA-O 3.29Å; A223-K550 PolarHBondContact N-O 3.05Å; D437-K550 HydrophobicContact CB-CD 4.33Å; D437-K550 HydrophobicContact CB-CG 3.63Å; F440-K550 HydrophobicContact CB-CD 4.24Å; F440-K550 HydrophobicContact CD1-CB 4.25Å; F440-K550 HydrophobicContact CD1-CD 4.17Å; F440-K550 HydrophobicContact CD1-CG 4.29Å; F440-K550 HydrophobicContact CD2-CB 4.11Å; F440-K550 HydrophobicContact CD2-CD 4.3Å; F440-K550 HydrophobicContact CD2-CG 3.76Å; F440-K550 HydrophobicContact CE1-CB 3.97Å; F440-K550 HydrophobicContact CE1-CG 4.47Å; F440-K550 VanDerWaalsContact CE2-CA 3.49Å; F440-K550 HydrophobicContact CE2-CB 3.82Å; F440-K550 HydrophobicContact CE2-CG 3.97Å; F440-K550 HydrophobicContact CG-CB 4.33Å; F440-K550 HydrophobicContact CG-CD 3.97Å; F440-K550 HydrophobicContact CG-CG 3.94Å; F440-K550 HydrophobicContact CZ-CB 3.75Å; F440-K550 HydrophobicContact CZ-CG 4.32Å; F529-K550 HydrophobicContact CE1-CB 4.18Å; F529-K550 HydrophobicContact CE1-CD 4.08Å; F529-K550 HydrophobicContact CE1-CG 3.98Å; F529-K550 HydrophobicContact CZ-CB 4.15Å; F529-K550 HydrophobicContact CZ-CG 4.37Å; F529-K550 WeakPolarHBondContact CZ-O 3.11Å; H543-K550 WeakPolarHBondContact O-CE 3.46Å; H543-K550 PolarHBondContact O-NZ 2.89Å; L545-K550 PolarHBondContact O-NZ 2.87Å; E547-K550 HydrophobicContact CB-CB 4.08Å; E547-K550 HydrophobicContact CB-CD 3.85Å; E547-K550 HydrophobicContact CG-CD 4.17Å; E547-K550 VanDerWaalsContact O-CB 3.24Å; E547-K550 WeakPolarHBondContact O-CB 3.43Å; E547-K550 PolarHBondContact O-N 3.12Å; E547-K550 VanDerWaalsContact O-N 3.16Å; E547-K550 IonicContact OE1-NZ 3.68Å; E547-K550 PolarHBondContact OE1-NZ 3.41Å; A548-K550 PolarHBondContact O-N 3.48Å; A548-K550 VanDerWaalsContact O-N 3.11Å
551	R	96.6	Very high	95	Very high	10 Å²	10	21.9 Å²	21.9	4%	0.038	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-93.4	133.5	168.1	-69.5	178	173.3	86.5	3.1	110.1	D218 R220 T222 S368 V370 P390 D437 M439	D218-R551 IonicContact OD1-NE 2.76Å; R220-R551 HydrophobicContact CB-CG 4.36Å; T222-R551 HydrophobicContact CG2-CG 3.87Å; S368-R551 PolarHBondContact O-NH2 2.93Å; V370-R551 VanDerWaalsContact CG2-NH1 3.33Å; P390-R551 HydrophobicContact CG-CB 4.02Å; D437-R551 PolarHBondContact OD2-N 2.95Å; M439-R551 VanDerWaalsContact CE-NH1 3.26Å
552	P	95.6	Very high	95.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-75	156.1	176.4	30.8	-34.1	0	0	0	111.6	Q525 D528 F529	Q525-P552 HydrophobicContact CG-CG 3.97Å; D528-P552 HydrophobicContact CB-CB 3.63Å; D528-P552 HydrophobicContact CB-CG 4Å; F529-P552 HydrophobicContact CD1-CB 3.98Å; F529-P552 HydrophobicContact CD2-CB 3.9Å; F529-P552 HydrophobicContact CD2-CG 4.48Å; F529-P552 HydrophobicContact CE1-CB 3.85Å; F529-P552 HydrophobicContact CE2-CB 3.75Å; F529-P552 HydrophobicContact CE2-CG 4.01Å; F529-P552 HydrophobicContact CG-CB 4.02Å; F529-P552 HydrophobicContact CZ-CB 3.73Å; F529-P552 HydrophobicContact CZ-CG 4.15Å
553	M	94.6	Very high	95.4	Very high	20 Å²	20	19.8 Å²	19.8	10%	0.099	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-55	145.7	169.9	-171.9	-88.9	-90.2	0	0	111.3	P390 L435 N544 F555	P390-M553 WeakPolarHBondContact O-CA 3.41Å; L435-M553 HydrophobicContact CB-CG 4.03Å; N544-M553 HydrophobicContact CB-CB 4.43Å; N544-M553 PolarHBondContact OD1-N 3.34Å; M553-F555 HydrophobicContact CE-CE2 3.79Å; M553-F555 HydrophobicContact CE-CZ 4.35Å; M553-F555 HydrophobicContact SD-CD2 4.02Å; M553-F555 HydrophobicContact SD-CE2 3.6Å; M553-F555 VanDerWaalsContact SD-CE2 3.6Å; M553-F555 HydrophobicContact SD-CZ 4.3Å
554	S	93.9	Very high	95.2	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.021	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-147.4	148	-174.6	-169.7	0	0	0	0	114	R220 P390 H391 A392 L556	R220-S554 PolarHBondContact NH2-OG 3.02Å; P390-S554 PolarHBondContact O-N 3.01Å; P390-S554 VanDerWaalsContact O-N 3.09Å; H391-S554 CarbonylContact C-O 3.53Å; H391-S554 VanDerWaalsContact CA-O 3.31Å; H391-S554 WeakPolarHBondContact CA-O 3.49Å; H391-S554 WeakPolarHBondContact ND1-CB 3.3Å; A392-S554 WeakPolarHBondContact CB-O 3.38Å; A392-S554 PolarHBondContact N-O 2.8Å; S554-L556 VanDerWaalsContact OG-CG 3.27Å; S554-L556 WeakPolarHBondContact OG-CG 3.36Å; S554-L556 PolarHBondContact OG-N 2.91Å; S554-L556 VanDerWaalsContact OG-N 3.12Å
555	F	94.1	Very high	94.7	Very high	19 Å²	19	24.6 Å²	24.6	8%	0.083	13%	0.129	C	C	.	.			trans	-99.7	15.4	168	-73.3	-88.8	0	0	0	113.4	A392 L429 M481 M553 M557 G579 E580 L583	A392-F555 HydrophobicContact CB-CD1 3.28Å; A392-F555 HydrophobicContact CB-CE1 3.37Å; A392-F555 HydrophobicContact CB-CG 3.93Å; A392-F555 HydrophobicContact CB-CZ 4.06Å; L429-F555 HydrophobicContact CD2-CE1 4.01Å; L429-F555 HydrophobicContact CD2-CZ 4.38Å; M481-F555 HydrophobicContact CE-CD2 4.37Å; M481-F555 HydrophobicContact CE-CE1 4.13Å; M481-F555 HydrophobicContact CE-CE2 3.32Å; M481-F555 HydrophobicContact CE-CZ 3.17Å; M481-F555 HydrophobicContact SD-CZ 4.2Å; M553-F555 HydrophobicContact CE-CE2 3.79Å; M553-F555 HydrophobicContact CE-CZ 4.35Å; M553-F555 HydrophobicContact SD-CD2 4.02Å; M553-F555 HydrophobicContact SD-CE2 3.6Å; M553-F555 VanDerWaalsContact SD-CE2 3.6Å; M553-F555 HydrophobicContact SD-CZ 4.3Å; F555-M557 PolarHBondContact O-N 3.07Å; F555-G579 VanDerWaalsContact CB-C 3.44Å; F555-G579 VanDerWaalsContact CB-O 3.32Å; F555-G579 WeakPolarHBondContact CB-O 3.31Å; F555-E580 HydrophobicContact CD1-CB 4.15Å; F555-E580 HydrophobicContact CD2-CB 4.08Å; F555-E580 HydrophobicContact CE1-CB 4.18Å; F555-E580 HydrophobicContact CE2-CB 4.12Å; F555-E580 HydrophobicContact CG-CB 4.11Å; F555-E580 HydrophobicContact CZ-CB 4.19Å; F555-L583 HydrophobicContact CE1-CD1 4.23Å
556	L	95.2	Very high	94	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	16%	0.157	C	C	.	.			trans	-67.7	112.8	166.3	-58.3	-177.2	0	0	0	108.7	V203 R220 A487 V503 S554 P558	V203-L556 HydrophobicContact CG2-CB 4.36Å; R220-L556 VanDerWaalsContact NH1-CD1 3.28Å; A487-L556 HydrophobicContact CB-CD2 3.52Å; V503-L556 HydrophobicContact CB-CB 4.33Å; V503-L556 HydrophobicContact CG1-CB 4.24Å; V503-L556 HydrophobicContact CG1-CD2 3.65Å; V503-L556 HydrophobicContact CG1-CG 4.46Å; S554-L556 VanDerWaalsContact OG-CG 3.27Å; S554-L556 WeakPolarHBondContact OG-CG 3.36Å; S554-L556 PolarHBondContact OG-N 2.91Å; S554-L556 VanDerWaalsContact OG-N 3.12Å; L556-P558 WeakPolarHBondContact O-CD 3.39Å
557	M	94.6	Very high	93.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	18%	0.18	C	C	.	.			trans	-133.3	66.9	-165	-168	172	-1	0	0	112.1	L396 F555 T559 A582 L583 I586	L396-M557 HydrophobicContact CB-SD 3.5Å; L396-M557 WeakPolarHBondContact CB-SD 3.46Å; L396-M557 HydrophobicContact CD2-CG 4.45Å; L396-M557 HydrophobicContact CD2-SD 3.89Å; L396-M557 HydrophobicContact CG-SD 4.27Å; F555-M557 PolarHBondContact O-N 3.07Å; M557-T559 PolarHBondContact O-N 2.84Å; M557-T559 PolarHBondContact O-OG1 3.31Å; M557-T559 VanDerWaalsContact O-OG1 3.14Å; M557-A582 HydrophobicContact CE-CB 4.12Å; M557-L583 VanDerWaalsContact CE-CA 3.5Å; M557-L583 HydrophobicContact CE-CB 3.79Å; M557-L583 HydrophobicContact CE-CG 4.34Å; M557-I586 HydrophobicContact CB-CD1 4.18Å; M557-I586 HydrophobicContact CG-CD1 4.22Å; M557-I586 HydrophobicContact SD-CD1 4.43Å
558	P	97.5	Very high	93	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.203	C	C	.	.			trans	-61.2	130	168.9	28.7	-34	0	0	0	109.1	V203 L205 S501 V503 L556	V203-P558 HydrophobicContact CB-CG 3.83Å; V203-P558 HydrophobicContact CG1-CG 3.7Å; L205-P558 HydrophobicContact CB-CB 3.96Å; L205-P558 HydrophobicContact CB-CG 4.2Å; S501-P558 WeakPolarHBondContact O-CB 3.24Å; S501-P558 WeakPolarHBondContact OG-CA 3.4Å; S501-P558 WeakPolarHBondContact OG-CB 3.22Å; V503-P558 HydrophobicContact CG2-CB 4.09Å; L556-P558 WeakPolarHBondContact O-CD 3.39Å
559	T	98.4	Very high	92.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.8	-173.9	-56.1	0	0	0	0	110.1	I384 M385 L396 S501 M557 A573 V574 L590	I384-T559 HydrophobicContact CG2-CG2 4.01Å; M385-T559 WeakPolarHBondContact O-CA 3.45Å; L396-T559 HydrophobicContact CD2-CG2 3.87Å; S501-T559 PolarHBondContact OG-N 3.24Å; M557-T559 PolarHBondContact O-N 2.84Å; M557-T559 PolarHBondContact O-OG1 3.31Å; M557-T559 VanDerWaalsContact O-OG1 3.14Å; T559-A573 WeakPolarHBondContact O-CA 3.34Å; T559-V574 HydrophobicContact CG2-CG2 4.21Å; T559-V574 PolarHBondContact N-O 3.37Å; T559-V574 PolarHBondContact O-N 3.37Å; T559-L590 HydrophobicContact CG2-CD1 4.13Å
560	A	98.2	Very high	92.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	152.2	169.4	0	0	0	0	0	111.1	L205 H207 M385 I499 V572	L205-A560 HydrophobicContact CD2-CB 3.42Å; L205-A560 VanDerWaalsContact CD2-CB 3.42Å; H207-A560 HydrophobicContact CB-CB 4.49Å; M385-A560 HydrophobicContact CE-CB 4.22Å; M385-A560 WeakPolarHBondContact CE-O 3.49Å; M385-A560 PolarHBondContact N-O 3.4Å; M385-A560 PolarHBondContact O-N 3.49Å; I499-A560 HydrophobicContact CG2-CB 4.15Å; A560-V572 CarbonylContact C-O 3.51Å; A560-V572 VanDerWaalsContact CA-O 3.27Å; A560-V572 WeakPolarHBondContact CA-O 3.37Å
561	V	97.6	Very high	92	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.6	175.5	-173.9	0	0	0	0	108.7	H382 H383 I384 Y571 V572 L590 L594	H382-V561 HydrophobicContact CB-CG1 3.75Å; H383-V561 VanDerWaalsContact O-CA 3.3Å; H383-V561 WeakPolarHBondContact O-CA 3.42Å; I384-V561 HydrophobicContact CG1-CG1 4.17Å; I384-V561 HydrophobicContact CG1-CG2 4.09Å; I384-V561 HydrophobicContact CG2-CG2 4.38Å; V561-Y571 VanDerWaalsContact O-CA 3.27Å; V561-Y571 WeakPolarHBondContact O-CA 3.28Å; V561-V572 HydrophobicContact CB-CB 3.92Å; V561-V572 HydrophobicContact CB-CG2 4.37Å; V561-V572 HydrophobicContact CG2-CB 4.1Å; V561-V572 PolarHBondContact N-O 3.08Å; V561-V572 PolarHBondContact O-N 3.18Å; V561-L590 HydrophobicContact CG2-CD1 4.41Å; V561-L590 HydrophobicContact CG2-CD2 3.7Å; V561-L594 HydrophobicContact CG1-CD1 4.08Å; V561-L594 HydrophobicContact CG1-CD2 4.22Å
562	R	95.7	Very high	92	Very high	16 Å²	16	29.5 Å²	29.5	6%	0.06	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.3	170.9	67.9	-179.2	179.4	77.4	2.1	110.5	H207 N212 E376 H382 H383 M385 Y571	H207-R562 WeakPolarHBondContact CE1-CD 3.44Å; N212-R562 WeakPolarHBondContact OD1-CD 3.29Å; N212-R562 PolarHBondContact OD1-NE 2.93Å; E376-R562 IonicContact OE1-CZ 2.61Å; E376-R562 IonicContact OE1-NE 3.8Å; E376-R562 IonicContact OE1-NH2 3.77Å; E376-R562 PolarHBondContact OE1-NH2 3.24Å; H382-R562 CarbonylContact C-O 3.23Å; H382-R562 WeakPolarHBondContact CA-O 3.21Å; H383-R562 HydrophobicContact CB-CG 3.82Å; H383-R562 PolarHBondContact CD2-NH1 3.45Å; H383-R562 PolarHBondContact CD2-NH2 2.94Å; H383-R562 VanDerWaalsContact CG-CZ 3.5Å; H383-R562 PolarHBondContact N-O 2.66Å; H383-R562 PolarHBondContact ND1-NH2 3.38Å; H383-R562 PolarHBondContact NE2-NH2 2.75Å; H383-R562 PolarHBondContact O-N 3.28Å; M385-R562 HydrophobicContact CE-CB 4.1Å; M385-R562 HydrophobicContact CE-CG 3.65Å; M385-R562 HydrophobicContact SD-CG 4.35Å; R562-Y571 HydrophobicContact CB-CD1 3.67Å; R562-Y571 HydrophobicContact CB-CE1 3.64Å
563	P	94	Very high	92.1	Very high	8 Å²	8	29.4 Å²	29.4	5%	0.052	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	151.5	168.6	-22.6	35.8	0	0	0	112.2	L567 G569 Y571	P563-L567 HydrophobicContact CB-CB 4.49Å; P563-L567 VanDerWaalsContact CB-O 3.25Å; P563-L567 WeakPolarHBondContact CB-O 3.45Å; P563-G569 VanDerWaalsContact CG-C 3.41Å; P563-G569 VanDerWaalsContact CG-CA 3.45Å; P563-Y571 HydrophobicContact CG-CD2 4.48Å; P563-Y571 HydrophobicContact CG-CE2 4.13Å
564	A	91.4	Very high	92.3	Very high	16 Å²	16	28.5 Å²	28.5	13%	0.132	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-61	152.2	167.9	0	0	0	0	0	111.8	G381 H383 G566 L567	G381-A564 VanDerWaalsContact O-CB 3.24Å; G381-A564 WeakPolarHBondContact O-CB 3.32Å; G381-A564 PolarHBondContact O-N 3.16Å; H383-A564 VanDerWaalsContact CD2-CA 3.49Å; H383-A564 WeakPolarHBondContact CD2-CA 3.42Å; A564-G566 PolarHBondContact O-N 3.23Å; A564-L567 HydrophobicContact CB-CD1 3.94Å; A564-L567 HydrophobicContact CB-CG 4.32Å; A564-L567 WeakPolarHBondContact O-CB 3.5Å; A564-L567 PolarHBondContact O-N 2.98Å
565	V	82.9	Confident	92.4	Very high	118 Å²	118	28.3 Å²	28.3	72%	0.715	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	127.1	-178.4	-179.6	0	0	0	0	109.5	L567	V565-L567 VanDerWaalsContact C-N 3.34Å
566	G	79.6	Confident	92.4	Very high	80 Å²	80	27.6 Å²	27.6	83%	0.825	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.1	-1.1	-177.7	0	0	0	0	0	115.1	A564	A564-G566 PolarHBondContact O-N 3.23Å
567	L	83	Confident	92.1	Very high	101 Å²	101	28 Å²	28	53%	0.529	19%	0.186	S	C	.	.			trans	-103.7	134.3	172.4	-59.5	-175.5	0	0	0	110.9	P563 A564 V565	P563-L567 HydrophobicContact CB-CB 4.49Å; P563-L567 VanDerWaalsContact CB-O 3.25Å; P563-L567 WeakPolarHBondContact CB-O 3.45Å; A564-L567 HydrophobicContact CB-CD1 3.94Å; A564-L567 HydrophobicContact CB-CG 4.32Å; A564-L567 WeakPolarHBondContact O-CB 3.5Å; A564-L567 PolarHBondContact O-N 2.98Å; V565-L567 VanDerWaalsContact C-N 3.34Å
568	C	81.6	Confident	91.8	Very high	127 Å²	127	30.2 Å²	30.2	86%	0.858	20%	0.198	S	C	*	.			trans	-73	142.3	160.9	-59.9	0	0	0	0	108.5
569	G	82.9	Confident	91.4	Very high	21 Å²	21	30.5 Å²	30.5	22%	0.216	20%	0.201	C	C	.	.			trans	-177.1	-164.2	179.6	0	0	0	0	0	113.7	P563	P563-G569 VanDerWaalsContact CG-C 3.41Å; P563-G569 VanDerWaalsContact CG-CA 3.45Å
570	T	89.4	Confident	91.1	Very high	27 Å²	27	31.1 Å²	31.1	17%	0.166	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.8	-174.6	-61.9	0	0	0	0	110.1	V572 R652 R653 T654	T570-V572 HydrophobicContact CG2-CG2 3.83Å; T570-R652 HydrophobicContact CG2-CG 3.3Å; T570-R653 WeakPolarHBondContact CA-O 3.39Å; T570-T654 PolarHBondContact OG1-OG1 3.43Å
571	Y	95.3	Very high	90.9	Very high	56 Å²	56	33 Å²	33	22%	0.22	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	141.7	166.1	-62.3	-95.5	0	0	0	109.3	I209 I499 V561 R562 P563 R652 R653	I209-Y571 HydrophobicContact CD1-CD1 4.15Å; I209-Y571 HydrophobicContact CD1-CE1 4.14Å; I209-Y571 HydrophobicContact CD1-CG 4.43Å; I209-Y571 HydrophobicContact CG1-CD1 4.16Å; I209-Y571 HydrophobicContact CG1-CE1 3.89Å; I209-Y571 HydrophobicContact CG2-CE1 3.96Å; I499-Y571 HydrophobicContact CD1-CD1 3.57Å; I499-Y571 HydrophobicContact CD1-CG 3.99Å; V561-Y571 VanDerWaalsContact O-CA 3.27Å; V561-Y571 WeakPolarHBondContact O-CA 3.28Å; R562-Y571 HydrophobicContact CB-CD1 3.67Å; R562-Y571 HydrophobicContact CB-CE1 3.64Å; P563-Y571 HydrophobicContact CG-CD2 4.48Å; P563-Y571 HydrophobicContact CG-CE2 4.13Å; Y571-R652 CarbonylContact O-C 3.35Å; Y571-R652 WeakPolarHBondContact O-CA 3.43Å; Y571-R653 PolarHBondContact N-O 3.23Å; Y571-R653 PolarHBondContact O-N 3.34Å
572	V	96.9	Very high	90.8	Very high	1 Å²	1	33 Å²	33	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.3	-178.9	-175.8	0	0	0	0	109.3	A560 V561 T570 V574 L590 V593 M600 T651 R652	A560-V572 CarbonylContact C-O 3.51Å; A560-V572 VanDerWaalsContact CA-O 3.27Å; A560-V572 WeakPolarHBondContact CA-O 3.37Å; V561-V572 HydrophobicContact CB-CB 3.92Å; V561-V572 HydrophobicContact CB-CG2 4.37Å; V561-V572 HydrophobicContact CG2-CB 4.1Å; V561-V572 PolarHBondContact N-O 3.08Å; V561-V572 PolarHBondContact O-N 3.18Å; T570-V572 HydrophobicContact CG2-CG2 3.83Å; V572-V574 HydrophobicContact CG1-CG1 3.68Å; V572-L590 HydrophobicContact CG1-CD2 4.47Å; V572-V593 HydrophobicContact CG2-CG1 4.31Å; V572-M600 HydrophobicContact CG1-CE 4.45Å; V572-T651 CarbonylContact C-O 3.52Å; V572-T651 WeakPolarHBondContact CA-O 3.42Å; V572-R652 HydrophobicContact CG2-CG 4.49Å
573	A	97.9	Very high	90.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.8	157.2	0	0	0	0	0	108.4	M491 M493 I499 T559 G650 T651	M491-A573 HydrophobicContact SD-CB 4.48Å; M493-A573 HydrophobicContact CE-CB 4.14Å; I499-A573 HydrophobicContact CG2-CB 3.4Å; T559-A573 WeakPolarHBondContact O-CA 3.34Å; A573-G650 CarbonylContact O-C 3.57Å; A573-G650 WeakPolarHBondContact O-CA 3.34Å; A573-T651 WeakPolarHBondContact CB-OG1 3.43Å; A573-T651 PolarHBondContact N-O 3.44Å; A573-T651 PolarHBondContact O-N 3.25Å
574	V	97.8	Very high	91	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.5	178.6	-75.2	0	0	0	0	110.7	S501 T559 V572 I586 V589 L590 M600 V648 E649	S501-V574 PolarHBondContact OG-O 3.37Å; T559-V574 HydrophobicContact CG2-CG2 4.21Å; T559-V574 PolarHBondContact N-O 3.37Å; T559-V574 PolarHBondContact O-N 3.37Å; V572-V574 HydrophobicContact CG1-CG1 3.68Å; V574-I586 HydrophobicContact CG2-CG2 3.92Å; V574-V589 HydrophobicContact CG1-CG1 4.4Å; V574-L590 HydrophobicContact CG2-CD2 4.05Å; V574-L590 HydrophobicContact CG2-CG 4.43Å; V574-M600 HydrophobicContact CG1-CE 3.41Å; V574-M600 VanDerWaalsContact CG1-CE 3.41Å; V574-V648 HydrophobicContact CB-CG1 4.29Å; V574-V648 HydrophobicContact CG1-CG1 4.3Å; V574-E649 WeakPolarHBondContact CA-O 3.21Å
575	G	96.2	Very high	91.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	-179.2	167.9	0	0	0	0	0	110.4	Q489 V648 E649	Q489-G575 PolarHBondContact OE1-O 3.08Å; G575-V648 WeakPolarHBondContact O-CA 3.49Å; G575-V648 WeakPolarHBondContact O-CG1 3.43Å; G575-E649 PolarHBondContact N-O 3.33Å; G575-E649 PolarHBondContact O-N 3.05Å
576	S	94.8	Very high	92	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	150.4	171.7	-175.9	0	0	0	0	111.1	Q489 S646 L647	Q489-S576 VanDerWaalsContact OE1-CA 3.31Å; S576-S646 PolarHBondContact OG-OG 3.02Å; S576-L647 WeakPolarHBondContact CA-O 3.44Å; S576-L647 VanDerWaalsContact CB-O 3.29Å; S576-L647 WeakPolarHBondContact CB-O 3.48Å; S576-L647 PolarHBondContact OG-O 3.11Å
577	S	88.9	Confident	92.8	Very high	14 Å²	14	21.8 Å²	21.8	10%	0.098	13%	0.127	C	C	.	.	S	Bend	trans	-95.3	-0	-175.4	49.8	0	0	0	0	115.1	A487 L647	A487-S577 PolarHBondContact N-O 3.31Å; A487-S577 VanDerWaalsContact N-O 3.09Å; A487-S577 WeakPolarHBondContact O-CB 3.48Å; S577-L647 PolarHBondContact N-O 3.17Å
578	N	88.1	Confident	93.5	Very high	47 Å²	47	17.3 Å²	17.3	25%	0.251	10%	0.104	S	C	.	.	B	Isolated β-bridge	trans	-111.5	47.1	-165.2	-56.9	92.4	0	0	0	115.4	E580 K581 S646 L647	N578-E580 PolarHBondContact O-N 2.93Å; N578-K581 HydrophobicContact CB-CB 4.17Å; N578-K581 WeakPolarHBondContact O-CB 3.34Å; N578-K581 PolarHBondContact O-N 3.47Å; N578-K581 VanDerWaalsContact O-N 3.08Å; N578-S646 WeakPolarHBondContact OD1-CA 3.44Å; N578-L647 PolarHBondContact OD1-N 2.95Å
579	G	88.6	Confident	94.3	Very high	6 Å²	6	11.3 Å²	11.3	6%	0.062	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-133.5	171.6	0	0	0	0	0	113.6	A485 F555 K581 A582	A485-G579 PolarHBondContact O-N 3Å; F555-G579 VanDerWaalsContact CB-C 3.44Å; F555-G579 VanDerWaalsContact CB-O 3.32Å; F555-G579 WeakPolarHBondContact CB-O 3.31Å; G579-K581 PolarHBondContact O-N 3.48Å; G579-A582 WeakPolarHBondContact O-CB 3.4Å; G579-A582 PolarHBondContact O-N 2.78Å
580	E	91.8	Very high	95	Very high	13 Å²	13	10.3 Å²	10.3	6%	0.061	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.1	179.3	74.3	-66.7	159.2	0	0	114.1	L429 M481 G484 F555 N578 A582 L583	L429-E580 HydrophobicContact CD2-CB 4.17Å; M481-E580 HydrophobicContact CE-CB 3.51Å; M481-E580 HydrophobicContact CE-CG 4.12Å; G484-E580 VanDerWaalsContact CA-OE2 3.3Å; G484-E580 WeakPolarHBondContact CA-OE2 3.4Å; G484-E580 PolarHBondContact N-OE2 2.86Å; F555-E580 HydrophobicContact CD1-CB 4.15Å; F555-E580 HydrophobicContact CD2-CB 4.08Å; F555-E580 HydrophobicContact CE1-CB 4.18Å; F555-E580 HydrophobicContact CE2-CB 4.12Å; F555-E580 HydrophobicContact CG-CB 4.11Å; F555-E580 HydrophobicContact CZ-CB 4.19Å; N578-E580 PolarHBondContact O-N 2.93Å; E580-A582 PolarHBondContact O-N 3.03Å; E580-L583 WeakPolarHBondContact O-CB 3.42Å; E580-L583 PolarHBondContact O-N 2.85Å; E580-L583 VanDerWaalsContact O-N 3.16Å
581	K	94.9	Very high	95.3	Very high	38 Å²	38	9.2 Å²	9.2	17%	0.165	5%	0.046	C	C	.	.	H	α-helix	trans	-68	-17.4	176.9	-51.9	179.9	-178.4	67.3	0	111.8	N578 G579 L583 S584 G585 L645	N578-K581 HydrophobicContact CB-CB 4.17Å; N578-K581 WeakPolarHBondContact O-CB 3.34Å; N578-K581 PolarHBondContact O-N 3.47Å; N578-K581 VanDerWaalsContact O-N 3.08Å; G579-K581 PolarHBondContact O-N 3.48Å; K581-L583 VanDerWaalsContact C-N 3.26Å; K581-L583 PolarHBondContact O-N 2.99Å; K581-S584 PolarHBondContact O-N 2.99Å; K581-G585 PolarHBondContact O-N 3.14Å; K581-L645 WeakPolarHBondContact CB-O 3.19Å; K581-L645 HydrophobicContact CD-CD2 4.48Å; K581-L645 WeakPolarHBondContact CD-O 3.5Å
582	A	95.1	Very high	95.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-56.4	-39.8	170.6	0	0	0	0	0	112.1	M557 G579 E580 S584 G585 I586	M557-A582 HydrophobicContact CE-CB 4.12Å; G579-A582 WeakPolarHBondContact O-CB 3.4Å; G579-A582 PolarHBondContact O-N 2.78Å; E580-A582 PolarHBondContact O-N 3.03Å; A582-S584 VanDerWaalsContact C-N 3.34Å; A582-S584 PolarHBondContact O-N 3.45Å; A582-G585 PolarHBondContact O-N 3.03Å; A582-I586 HydrophobicContact CB-CD1 4.46Å; A582-I586 VanDerWaalsContact O-CB 3.31Å; A582-I586 WeakPolarHBondContact O-CB 3.49Å; A582-I586 VanDerWaalsContact O-CG1 3.26Å; A582-I586 WeakPolarHBondContact O-CG1 3.25Å; A582-I586 PolarHBondContact O-N 2.94Å
583	L	96.5	Very high	95.2	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60	-47.9	178.5	-167.6	154.2	0	0	0	110.4	A399 V425 A428 L429 F555 M557 E580 K581 T587	A399-L583 HydrophobicContact CB-CD2 4.49Å; V425-L583 HydrophobicContact CB-CD2 4.45Å; V425-L583 HydrophobicContact CG1-CD2 3.9Å; V425-L583 HydrophobicContact CG2-CD2 4.35Å; A428-L583 HydrophobicContact CB-CD1 4.29Å; A428-L583 HydrophobicContact CB-CD2 4.02Å; L429-L583 HydrophobicContact CD2-CB 4.28Å; L429-L583 HydrophobicContact CD2-CD1 4.21Å; F555-L583 HydrophobicContact CE1-CD1 4.23Å; M557-L583 VanDerWaalsContact CE-CA 3.5Å; M557-L583 HydrophobicContact CE-CB 3.79Å; M557-L583 HydrophobicContact CE-CG 4.34Å; E580-L583 WeakPolarHBondContact O-CB 3.42Å; E580-L583 PolarHBondContact O-N 2.85Å; E580-L583 VanDerWaalsContact O-N 3.16Å; K581-L583 VanDerWaalsContact C-N 3.26Å; K581-L583 PolarHBondContact O-N 2.99Å; L583-T587 VanDerWaalsContact O-CB 3.25Å; L583-T587 WeakPolarHBondContact O-CB 3.47Å; L583-T587 PolarHBondContact O-N 3.09Å; L583-T587 PolarHBondContact O-OG1 3Å
584	S	96.9	Very high	95	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.014	5%	0.047	C	C	.	.	H	α-helix	trans	-66.7	-45.2	-180	-44.5	0	0	0	0	111.9	V425 K581 A582 Q588 L609 H610	V425-S584 WeakPolarHBondContact CG1-OG 3.33Å; K581-S584 PolarHBondContact O-N 2.99Å; A582-S584 VanDerWaalsContact C-N 3.34Å; A582-S584 PolarHBondContact O-N 3.45Å; S584-Q588 WeakPolarHBondContact O-CG 3.27Å; S584-Q588 PolarHBondContact O-N 3.45Å; S584-Q588 VanDerWaalsContact O-N 3.12Å; S584-Q588 PolarHBondContact O-NE2 3.22Å; S584-L609 WeakPolarHBondContact CB-O 3.45Å; S584-H610 PolarHBondContact OG-ND1 3.26Å
585	G	96.9	Very high	94.8	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-62.7	-51.4	180	0	0	0	0	0	112.3	K581 A582 T587 Q588 V589	K581-G585 PolarHBondContact O-N 3.14Å; A582-G585 PolarHBondContact O-N 3.03Å; G585-T587 PolarHBondContact O-N 3.3Å; G585-Q588 PolarHBondContact O-N 2.67Å; G585-V589 WeakPolarHBondContact O-CG2 3.33Å; G585-V589 PolarHBondContact O-N 3.25Å
586	I	97.9	Very high	94.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.2	-42.2	-179.7	-65.3	169.3	0	0	0	110.7	L396 M557 V574 A582 Q588 V589 L590	L396-I586 HydrophobicContact CD1-CB 4.44Å; L396-I586 HydrophobicContact CD1-CG2 3.92Å; L396-I586 HydrophobicContact CD2-CG2 3.66Å; L396-I586 HydrophobicContact CG-CG2 4.47Å; M557-I586 HydrophobicContact CB-CD1 4.18Å; M557-I586 HydrophobicContact CG-CD1 4.22Å; M557-I586 HydrophobicContact SD-CD1 4.43Å; V574-I586 HydrophobicContact CG2-CG2 3.92Å; A582-I586 HydrophobicContact CB-CD1 4.46Å; A582-I586 VanDerWaalsContact O-CB 3.31Å; A582-I586 WeakPolarHBondContact O-CB 3.49Å; A582-I586 VanDerWaalsContact O-CG1 3.26Å; A582-I586 WeakPolarHBondContact O-CG1 3.25Å; A582-I586 PolarHBondContact O-N 2.94Å; I586-Q588 PolarHBondContact O-N 2.9Å; I586-V589 PolarHBondContact O-N 2.59Å; I586-L590 HydrophobicContact CG2-CD1 3.81Å; I586-L590 HydrophobicContact CG2-CG 4.07Å; I586-L590 WeakPolarHBondContact O-CB 3.32Å; I586-L590 WeakPolarHBondContact O-CG 3.35Å; I586-L590 PolarHBondContact O-N 2.54Å
587	T	98.2	Very high	94.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57	-48.9	176.9	-59.9	0	0	0	0	111.3	L396 A399 L400 L403 V425 L583 G585 M591	L396-T587 VanDerWaalsContact CD1-OG1 3.29Å; L396-T587 WeakPolarHBondContact CD1-OG1 3.34Å; A399-T587 HydrophobicContact CB-CG2 4.15Å; L400-T587 HydrophobicContact CD2-CG2 4.18Å; L403-T587 HydrophobicContact CD1-CG2 3.71Å; V425-T587 HydrophobicContact CG2-CG2 4.16Å; L583-T587 VanDerWaalsContact O-CB 3.25Å; L583-T587 WeakPolarHBondContact O-CB 3.47Å; L583-T587 PolarHBondContact O-N 3.09Å; L583-T587 PolarHBondContact O-OG1 3Å; G585-T587 PolarHBondContact O-N 3.3Å; T587-M591 VanDerWaalsContact O-CB 3.31Å; T587-M591 WeakPolarHBondContact O-CB 3.31Å; T587-M591 PolarHBondContact O-N 3.15Å
588	Q	97.8	Very high	94.6	Very high	7 Å²	7	23 Å²	23	3%	0.033	10%	0.104	C	C	.	.	H	α-helix	trans	-65.2	-43.3	-179.7	-75.6	168.7	96.1	0	0	112.1	I421 S584 G585 I586 M591 N592 L609	I421-Q588 HydrophobicContact CD1-CG 4.47Å; I421-Q588 HydrophobicContact CG2-CG 3.77Å; S584-Q588 WeakPolarHBondContact O-CG 3.27Å; S584-Q588 PolarHBondContact O-N 3.45Å; S584-Q588 VanDerWaalsContact O-N 3.12Å; S584-Q588 PolarHBondContact O-NE2 3.22Å; G585-Q588 PolarHBondContact O-N 2.67Å; I586-Q588 PolarHBondContact O-N 2.9Å; Q588-M591 PolarHBondContact O-N 3.39Å; Q588-N592 WeakPolarHBondContact O-CB 3.47Å; Q588-N592 PolarHBondContact O-N 2.88Å; Q588-N592 PolarHBondContact O-ND2 2.91Å; Q588-L609 PolarHBondContact NE2-O 3.33Å
589	V	97.5	Very high	94.8	Very high	2 Å²	2	24 Å²	24	1%	0.012	11%	0.109	C	C	.	.	H	α-helix	trans	-63.4	-47.1	178.3	169.8	0	0	0	0	111.1	V574 G585 I586 M591 N592 V593 M600 L604 V648	V574-V589 HydrophobicContact CG1-CG1 4.4Å; G585-V589 WeakPolarHBondContact O-CG2 3.33Å; G585-V589 PolarHBondContact O-N 3.25Å; I586-V589 PolarHBondContact O-N 2.59Å; V589-M591 PolarHBondContact O-N 3.17Å; V589-N592 PolarHBondContact O-N 3.1Å; V589-V593 HydrophobicContact CG1-CG2 4.49Å; V589-V593 WeakPolarHBondContact O-CG2 3.49Å; V589-V593 PolarHBondContact O-N 2.88Å; V589-M600 HydrophobicContact CG1-CE 4.09Å; V589-M600 HydrophobicContact CG1-SD 4.22Å; V589-L604 HydrophobicContact CB-CD2 4.44Å; V589-L604 HydrophobicContact CG1-CD2 3.8Å; V589-L604 HydrophobicContact CG2-CD2 3.73Å; V589-V648 HydrophobicContact CB-CG1 4.34Å; V589-V648 HydrophobicContact CG1-CG1 4.32Å; V589-V648 HydrophobicContact CG2-CB 4.13Å; V589-V648 HydrophobicContact CG2-CG1 3.98Å; V589-V648 HydrophobicContact CG2-CG2 4.2Å
590	L	97.3	Very high	95	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64	-40.4	178	-69.4	-176.2	0	0	0	112	I384 L396 L400 T559 V561 V572 V574 I586 N592 V593 L594	I384-L590 HydrophobicContact CD1-CD1 4.37Å; I384-L590 HydrophobicContact CG2-CD1 4.05Å; L396-L590 HydrophobicContact CD1-CD1 4.47Å; L396-L590 HydrophobicContact CD2-CD1 4.35Å; L400-L590 HydrophobicContact CD1-CD1 4.21Å; T559-L590 HydrophobicContact CG2-CD1 4.13Å; V561-L590 HydrophobicContact CG2-CD1 4.41Å; V561-L590 HydrophobicContact CG2-CD2 3.7Å; V572-L590 HydrophobicContact CG1-CD2 4.47Å; V574-L590 HydrophobicContact CG2-CD2 4.05Å; V574-L590 HydrophobicContact CG2-CG 4.43Å; I586-L590 HydrophobicContact CG2-CD1 3.81Å; I586-L590 HydrophobicContact CG2-CG 4.07Å; I586-L590 WeakPolarHBondContact O-CB 3.32Å; I586-L590 WeakPolarHBondContact O-CG 3.35Å; I586-L590 PolarHBondContact O-N 2.54Å; L590-N592 PolarHBondContact O-N 3.21Å; L590-V593 PolarHBondContact O-N 2.8Å; L590-L594 HydrophobicContact CB-CD1 4.44Å; L590-L594 VanDerWaalsContact O-CB 3.24Å; L590-L594 WeakPolarHBondContact O-CB 3.47Å; L590-L594 VanDerWaalsContact O-CG 3.26Å; L590-L594 WeakPolarHBondContact O-CG 3.4Å; L590-L594 PolarHBondContact O-N 3.09Å
591	M	96.1	Very high	95.1	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-63.1	-41.9	175.3	-172.6	-158.6	64.2	0	0	111.6	I408 T417 I421 T587 Q588 V589 S595 L596	I408-M591 HydrophobicContact CD1-SD 3.98Å; I408-M591 HydrophobicContact CG2-SD 4.29Å; T417-M591 HydrophobicContact CG2-CE 4.06Å; T417-M591 HydrophobicContact CG2-SD 4.09Å; I421-M591 HydrophobicContact CD1-CE 3.33Å; I421-M591 HydrophobicContact CD1-SD 3.55Å; I421-M591 VanDerWaalsContact CD1-SD 3.55Å; I421-M591 HydrophobicContact CG1-CE 4.26Å; I421-M591 HydrophobicContact CG1-SD 3.8Å; T587-M591 VanDerWaalsContact O-CB 3.31Å; T587-M591 WeakPolarHBondContact O-CB 3.31Å; T587-M591 PolarHBondContact O-N 3.15Å; Q588-M591 PolarHBondContact O-N 3.39Å; V589-M591 PolarHBondContact O-N 3.17Å; M591-S595 WeakPolarHBondContact O-CA 3.26Å; M591-S595 WeakPolarHBondContact O-CB 3.41Å; M591-S595 PolarHBondContact O-N 3.45Å; M591-L596 HydrophobicContact CE-CD1 4.35Å; M591-L596 PolarHBondContact O-N 2.97Å; M591-L596 VanDerWaalsContact O-N 3.12Å
592	N	95.4	Very high	95	Very high	18 Å²	18	27.7 Å²	27.7	10%	0.096	14%	0.136	C	C	.	.	H	α-helix	trans	-63	-45.2	177.2	-70.3	-21.6	0	0	0	111.7	Q588 V589 L590 L596 R597 K598 S603	Q588-N592 WeakPolarHBondContact O-CB 3.47Å; Q588-N592 PolarHBondContact O-N 2.88Å; Q588-N592 PolarHBondContact O-ND2 2.91Å; V589-N592 PolarHBondContact O-N 3.1Å; L590-N592 PolarHBondContact O-N 3.21Å; N592-L596 CarbonylContact O-C 3.56Å; N592-L596 WeakPolarHBondContact O-CB 3.3Å; N592-L596 PolarHBondContact O-N 3.41Å; N592-R597 PolarHBondContact O-N 3.21Å; N592-K598 HydrophobicContact CB-CB 4.47Å; N592-K598 WeakPolarHBondContact O-CB 2.76Å; N592-K598 PolarHBondContact O-N 3.29Å; N592-S603 WeakPolarHBondContact CB-OG 2.9Å
593	V	94.7	Very high	95.1	Very high	14 Å²	14	27.8 Å²	27.8	9%	0.085	14%	0.136	C	C	.	.	H	α-helix	trans	-70.9	-46.4	-179	174.6	0	0	0	0	111.8	V572 V589 L590 R597 M600 S603	V572-V593 HydrophobicContact CG2-CG1 4.31Å; V589-V593 HydrophobicContact CG1-CG2 4.49Å; V589-V593 WeakPolarHBondContact O-CG2 3.49Å; V589-V593 PolarHBondContact O-N 2.88Å; L590-V593 PolarHBondContact O-N 2.8Å; V593-R597 WeakPolarHBondContact O-CA 3.1Å; V593-M600 HydrophobicContact CG2-SD 3.78Å; V593-S603 WeakPolarHBondContact CG2-OG 3.3Å
594	L	93.8	Very high	95	Very high	13 Å²	13	27.8 Å²	27.8	7%	0.068	14%	0.136	C	C	.	.	H	α-helix	trans	-89.7	-43.6	-169.9	-56.3	178.3	0	0	0	112.7	Y379 H382 I384 V561 L590	Y379-L594 HydrophobicContact CD1-CB 4.42Å; Y379-L594 HydrophobicContact CD1-CD1 4.13Å; Y379-L594 HydrophobicContact CE1-CB 4.29Å; H382-L594 HydrophobicContact CB-CD1 4.4Å; I384-L594 HydrophobicContact CD1-CD1 3.8Å; I384-L594 HydrophobicContact CG1-CD1 4.28Å; V561-L594 HydrophobicContact CG1-CD1 4.08Å; V561-L594 HydrophobicContact CG1-CD2 4.22Å; L590-L594 HydrophobicContact CB-CD1 4.44Å; L590-L594 VanDerWaalsContact O-CB 3.24Å; L590-L594 WeakPolarHBondContact O-CB 3.47Å; L590-L594 VanDerWaalsContact O-CG 3.26Å; L590-L594 WeakPolarHBondContact O-CG 3.4Å; L590-L594 PolarHBondContact O-N 3.09Å
595	S	92.9	Very high	95	Very high	10 Å²	10	29.5 Å²	29.5	7%	0.07	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-44.2	-174.3	-50.4	0	0	0	0	112.1	Y379 I408 M591	Y379-S595 WeakPolarHBondContact CE1-OG 3.46Å; Y379-S595 PolarHBondContact OH-OG 3.03Å; I408-S595 WeakPolarHBondContact O-CB 3.45Å; M591-S595 WeakPolarHBondContact O-CA 3.26Å; M591-S595 WeakPolarHBondContact O-CB 3.41Å; M591-S595 PolarHBondContact O-N 3.45Å
596	L	92.5	Very high	94.9	Very high	26 Å²	26	33.4 Å²	33.4	14%	0.136	17%	0.165	C	C	.	.	S	Bend	trans	-89	-6.4	179.5	-56.3	-176.8	0	0	0	113.4	I408 N410 M591 N592 K598	I408-L596 HydrophobicContact CG2-CD2 3.92Å; N410-L596 PolarHBondContact ND2-O 2.87Å; N410-L596 PolarHBondContact OD1-O 2.63Å; M591-L596 HydrophobicContact CE-CD1 4.35Å; M591-L596 PolarHBondContact O-N 2.97Å; M591-L596 VanDerWaalsContact O-N 3.12Å; N592-L596 CarbonylContact O-C 3.56Å; N592-L596 WeakPolarHBondContact O-CB 3.3Å; N592-L596 PolarHBondContact O-N 3.41Å; L596-K598 HydrophobicContact CB-CG 3.83Å; L596-K598 PolarHBondContact O-N 2.91Å
597	R	90.8	Very high	94.7	Very high	213 Å²	213	33.9 Å²	33.9	80%	0.804	17%	0.17	S	C	*	.			trans	53.7	33.3	-178.7	-56.6	-175.9	-176.9	178.7	0.7	113	N592 V593	N592-R597 PolarHBondContact O-N 3.21Å; V593-R597 WeakPolarHBondContact O-CA 3.1Å
598	K	92.3	Very high	94.5	Very high	71 Å²	71	34.1 Å²	34.1	31%	0.309	17%	0.171	S	C	.	.			trans	-75.1	154	176.2	-60.2	-64.5	-178.3	176.1	0	109.7	N592 L596 S603 Y606	N592-K598 HydrophobicContact CB-CB 4.47Å; N592-K598 WeakPolarHBondContact O-CB 2.76Å; N592-K598 PolarHBondContact O-N 3.29Å; L596-K598 HydrophobicContact CB-CG 3.83Å; L596-K598 PolarHBondContact O-N 2.91Å; K598-S603 WeakPolarHBondContact CB-OG 3.16Å; K598-Y606 HydrophobicContact CB-CE2 4.36Å; K598-Y606 HydrophobicContact CD-CE2 4.41Å; K598-Y606 HydrophobicContact CG-CE2 4.09Å
599	N	92.1	Very high	94.5	Very high	66 Å²	66	33.8 Å²	33.8	35%	0.353	17%	0.17	S	C	.	.			trans	-67.4	160.5	173.3	73.1	39.3	0	0	0	109.5	S601 D602 S603	N599-S601 PolarHBondContact O-N 3.13Å; N599-S601 PolarHBondContact OD1-N 3.26Å; N599-D602 VanDerWaalsContact CG-CG 3.42Å; N599-D602 VanDerWaalsContact CG-OD2 3.31Å; N599-D602 PolarHBondContact ND2-OD1 3.44Å; N599-D602 PolarHBondContact ND2-OD2 2.96Å; N599-D602 WeakPolarHBondContact OD1-CB 3.33Å; N599-D602 PolarHBondContact OD1-N 3.46Å; N599-D602 PolarHBondContact OD1-OD1 2.89Å; N599-D602 PolarHBondContact OD1-OD2 3.42Å; N599-S603 VanDerWaalsContact O-CB 3.3Å; N599-S603 WeakPolarHBondContact O-CB 3.39Å; N599-S603 PolarHBondContact O-N 3.21Å; N599-S603 VanDerWaalsContact O-N 3.09Å; N599-S603 PolarHBondContact O-OG 3.3Å
600	M	93.7	Very high	94.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-38.3	-177.1	-174.3	64.7	178.4	0	0	112.1	V572 V574 V589 V593 S603 L604 R652 V661	V572-M600 HydrophobicContact CG1-CE 4.45Å; V574-M600 HydrophobicContact CG1-CE 3.41Å; V574-M600 VanDerWaalsContact CG1-CE 3.41Å; V589-M600 HydrophobicContact CG1-CE 4.09Å; V589-M600 HydrophobicContact CG1-SD 4.22Å; V593-M600 HydrophobicContact CG2-SD 3.78Å; M600-S603 PolarHBondContact O-N 3.41Å; M600-L604 HydrophobicContact CE-CD1 4.18Å; M600-L604 HydrophobicContact CE-CD2 3.94Å; M600-L604 HydrophobicContact CE-CG 4.13Å; M600-L604 WeakPolarHBondContact O-CG 3.5Å; M600-L604 PolarHBondContact O-N 2.8Å; M600-R652 HydrophobicContact CB-CB 4.45Å; M600-V661 HydrophobicContact CB-CG2 3.95Å; M600-V661 HydrophobicContact CG-CB 3.88Å; M600-V661 HydrophobicContact CG-CG1 4.29Å; M600-V661 HydrophobicContact CG-CG2 3.74Å
601	S	93.8	Very high	94.4	Very high	70 Å²	70	34 Å²	34	49%	0.49	17%	0.171	S	C	.	.	H	α-helix	trans	-61.1	-51.4	-179.2	-165.9	0	0	0	0	112.7	N599 S603 L604 A605	N599-S601 PolarHBondContact O-N 3.13Å; N599-S601 PolarHBondContact OD1-N 3.26Å; S601-S603 VanDerWaalsContact C-N 3.3Å; S601-S603 PolarHBondContact O-N 2.98Å; S601-L604 PolarHBondContact O-N 3.02Å; S601-A605 WeakPolarHBondContact O-CB 2.84Å; S601-A605 PolarHBondContact O-N 2.96Å
602	D	93.9	Very high	94.3	Very high	65 Å²	65	36.1 Å²	36.1	35%	0.348	18%	0.18	S	C	.	.	H	α-helix	trans	-63.8	-40.3	176.7	-59.6	-7.4	0	0	0	110.2	N599 L604 A605 Y606	N599-D602 VanDerWaalsContact CG-CG 3.42Å; N599-D602 VanDerWaalsContact CG-OD2 3.31Å; N599-D602 PolarHBondContact ND2-OD1 3.44Å; N599-D602 PolarHBondContact ND2-OD2 2.96Å; N599-D602 WeakPolarHBondContact OD1-CB 3.33Å; N599-D602 PolarHBondContact OD1-N 3.46Å; N599-D602 PolarHBondContact OD1-OD1 2.89Å; N599-D602 PolarHBondContact OD1-OD2 3.42Å; D602-L604 VanDerWaalsContact C-N 3.27Å; D602-L604 PolarHBondContact O-N 3.06Å; D602-A605 PolarHBondContact O-N 3.4Å; D602-Y606 HydrophobicContact CB-CE2 4Å; D602-Y606 WeakPolarHBondContact O-CD2 3.32Å; D602-Y606 VanDerWaalsContact O-CG 3.28Å; D602-Y606 PolarHBondContact O-N 3.27Å
603	S	95.5	Very high	94.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-36.1	179.3	-61.4	0	0	0	0	112.6	N592 V593 K598 N599 M600 S601	N592-S603 WeakPolarHBondContact CB-OG 2.9Å; V593-S603 WeakPolarHBondContact CG2-OG 3.3Å; K598-S603 WeakPolarHBondContact CB-OG 3.16Å; N599-S603 VanDerWaalsContact O-CB 3.3Å; N599-S603 WeakPolarHBondContact O-CB 3.39Å; N599-S603 PolarHBondContact O-N 3.21Å; N599-S603 VanDerWaalsContact O-N 3.09Å; N599-S603 PolarHBondContact O-OG 3.3Å; M600-S603 PolarHBondContact O-N 3.41Å; S601-S603 VanDerWaalsContact C-N 3.3Å; S601-S603 PolarHBondContact O-N 2.98Å
604	L	95.7	Very high	93.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-75.6	-32.5	173.2	-65.3	-174.3	0	0	0	112.3	V589 M600 S601 D602 R608 V648 V661 R665	V589-L604 HydrophobicContact CB-CD2 4.44Å; V589-L604 HydrophobicContact CG1-CD2 3.8Å; V589-L604 HydrophobicContact CG2-CD2 3.73Å; M600-L604 HydrophobicContact CE-CD1 4.18Å; M600-L604 HydrophobicContact CE-CD2 3.94Å; M600-L604 HydrophobicContact CE-CG 4.13Å; M600-L604 WeakPolarHBondContact O-CG 3.5Å; M600-L604 PolarHBondContact O-N 2.8Å; S601-L604 PolarHBondContact O-N 3.02Å; D602-L604 VanDerWaalsContact C-N 3.27Å; D602-L604 PolarHBondContact O-N 3.06Å; L604-R608 PolarHBondContact O-NH2 3.34Å; L604-R608 VanDerWaalsContact O-NH2 3.17Å; L604-V648 WeakPolarHBondContact CD1-O 3.22Å; L604-V648 HydrophobicContact CD2-CB 3.75Å; L604-V648 HydrophobicContact CD2-CG1 3.68Å; L604-V648 VanDerWaalsContact CD2-O 3.24Å; L604-V648 WeakPolarHBondContact CD2-O 3.33Å; L604-V661 HydrophobicContact CD1-CB 4Å; L604-V661 HydrophobicContact CD1-CG1 3.67Å; L604-R665 PolarHBondContact O-NH1 3.42Å
605	A	95.3	Very high	93.2	Very high	37 Å²	37	46.8 Å²	46.8	31%	0.306	23%	0.232	S	C	.	.	H	α-helix	trans	-76.7	-27.6	-178.8	0	0	0	0	0	114.1	S601 D602 P664 R665	S601-A605 WeakPolarHBondContact O-CB 2.84Å; S601-A605 PolarHBondContact O-N 2.96Å; D602-A605 PolarHBondContact O-N 3.4Å; A605-P664 HydrophobicContact CB-CG 3.88Å; A605-R665 PolarHBondContact O-NH2 3.04Å
606	Y	94.9	Very high	93.1	Very high	84 Å²	84	49.4 Å²	49.4	33%	0.329	25%	0.246	S	C	.	.	S	Bend	trans	-59.7	147.7	-179.6	-70.1	-45.8	0	0	0	113	K598 D602 R665	K598-Y606 HydrophobicContact CB-CE2 4.36Å; K598-Y606 HydrophobicContact CD-CE2 4.41Å; K598-Y606 HydrophobicContact CG-CE2 4.09Å; D602-Y606 HydrophobicContact CB-CE2 4Å; D602-Y606 WeakPolarHBondContact O-CD2 3.32Å; D602-Y606 VanDerWaalsContact O-CG 3.28Å; D602-Y606 PolarHBondContact O-N 3.27Å; Y606-R665 PolarHBondContact O-NH2 3.11Å
607	G	93.9	Very high	93.2	Very high	10 Å²	10	49.1 Å²	49.1	10%	0.103	24%	0.244	C	C	.	.			trans	-59	149.2	176.3	0	0	0	0	0	113.5	D621	G607-D621 WeakPolarHBondContact CA-OD1 3.45Å
608	R	95.4	Very high	93.6	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.015	21%	0.207	C	C	.	.			trans	-115.9	146.5	-173.9	-63.4	-178.7	171.8	116.1	6.2	111	L604 V620 D621 L645 S646 D663	L604-R608 PolarHBondContact O-NH2 3.34Å; L604-R608 VanDerWaalsContact O-NH2 3.17Å; R608-V620 WeakPolarHBondContact O-CA 3.47Å; R608-D621 VanDerWaalsContact N-CG 3.33Å; R608-D621 PolarHBondContact N-OD1 3.2Å; R608-D621 PolarHBondContact N-OD2 3.44Å; R608-D621 PolarHBondContact O-N 3.14Å; R608-L645 HydrophobicContact CB-CD1 4.49Å; R608-L645 WeakPolarHBondContact O-CD1 2.99Å; R608-S646 PolarHBondContact NH1-O 3.08Å; R608-D663 IonicContact CZ-OD2 3.7Å; R608-D663 IonicContact NH1-OD1 4Å; R608-D663 IonicContact NH1-OD2 3.95Å; R608-D663 PolarHBondContact NH1-OD2 2.69Å; R608-D663 IonicContact NH2-OD2 2.69Å; R608-D663 PolarHBondContact NH2-OD2 2.75Å
609	L	97.1	Very high	93.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	153	166.2	64.8	75.7	0	0	0	112.3	Y418 I421 A422 S584 Q588 L618 L619 V620 F624	Y418-L609 HydrophobicContact CD1-CD2 4.05Å; Y418-L609 HydrophobicContact CG-CD2 4.44Å; Y418-L609 WeakPolarHBondContact O-CD2 3.43Å; I421-L609 HydrophobicContact CG2-CD1 3.81Å; I421-L609 HydrophobicContact CG2-CG 4.37Å; A422-L609 HydrophobicContact CB-CD1 4.08Å; A422-L609 HydrophobicContact CB-CD2 4.32Å; S584-L609 WeakPolarHBondContact CB-O 3.45Å; Q588-L609 PolarHBondContact NE2-O 3.33Å; L609-L618 HydrophobicContact CB-CD1 4.18Å; L609-L618 HydrophobicContact CD1-CD1 4.19Å; L609-L619 CarbonylContact C-O 3.53Å; L609-L619 WeakPolarHBondContact CA-O 3.32Å; L609-V620 HydrophobicContact CB-CG1 4.14Å; L609-F624 HydrophobicContact CB-CE2 4.33Å; L609-F624 HydrophobicContact CD2-CE2 4.42Å; L609-F624 HydrophobicContact CD2-CZ 4.26Å
610	H	96.9	Very high	94.1	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	117.9	176.5	176.3	76	0	0	0	111.6	S584 L619 L645	S584-H610 PolarHBondContact OG-ND1 3.26Å; H610-L619 HydrophobicContact CB-CB 4.46Å; H610-L619 PolarHBondContact N-O 2.66Å; H610-L619 WeakPolarHBondContact O-CB 3.24Å; H610-L619 PolarHBondContact O-N 2.91Å; H610-L645 HydrophobicContact CB-CD1 4.22Å
611	P	96	Very high	94.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.1	174.2	-13	28.5	0	0	0	112.2	A422 V425 K426 L429 L618	A422-P611 WeakPolarHBondContact O-CG 3.14Å; V425-P611 HydrophobicContact CB-CG 4.29Å; V425-P611 HydrophobicContact CG1-CG 4.08Å; K426-P611 HydrophobicContact CB-CB 3.88Å; K426-P611 HydrophobicContact CB-CG 3.95Å; K426-P611 HydrophobicContact CG-CB 4.29Å; L429-P611 WeakPolarHBondContact CD1-O 3.22Å; P611-L618 HydrophobicContact CB-CD1 4.37Å; P611-L618 HydrophobicContact CG-CD1 4.05Å
612	Q	93	Very high	94.2	Very high	46 Å²	46	32.2 Å²	32.2	22%	0.215	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.7	166.3	-69.6	-169.4	-60.6	0	0	110.1	N616 I617 L619	Q612-N616 WeakPolarHBondContact O-CA 3.24Å; Q612-N616 PolarHBondContact O-N 3.04Å; Q612-I617 PolarHBondContact N-O 2.93Å; Q612-I617 PolarHBondContact O-N 3.36Å; Q612-L619 HydrophobicContact CG-CD1 3.79Å; Q612-L619 HydrophobicContact CG-CG 3.94Å
613	L	91.1	Very high	94.2	Very high	26 Å²	26	34.5 Å²	34.5	14%	0.136	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-43.2	-169.9	-57.4	-174.4	0	0	0	113.4	K426 L429 A430 V472 M481	K426-L613 HydrophobicContact CG-CD2 3.77Å; L429-L613 HydrophobicContact CB-CD1 4.02Å; L429-L613 HydrophobicContact CB-CD2 4.21Å; L429-L613 HydrophobicContact CB-CG 4.35Å; A430-L613 HydrophobicContact CB-CD1 4.29Å; V472-L613 HydrophobicContact CB-CD2 4.33Å; V472-L613 HydrophobicContact CG2-CD2 4.1Å; M481-L613 HydrophobicContact SD-CD1 4.15Å
614	E	83.7	Confident	94.1	Very high	136 Å²	136	34.9 Å²	34.9	64%	0.636	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-48.1	-172.3	-64.8	-174.8	177	0	0	112.2
615	D	85.6	Confident	94.1	Very high	107 Å²	107	39.1 Å²	39.1	57%	0.572	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-5.4	-177.8	-60.5	-45.2	0	0	0	113.3	I617	D615-I617 HydrophobicContact CB-CB 4.39Å; D615-I617 HydrophobicContact CB-CD1 3.53Å; D615-I617 HydrophobicContact CB-CG1 3.72Å; D615-I617 PolarHBondContact O-N 2.74Å
616	N	91.4	Very high	94.1	Very high	66 Å²	66	44 Å²	44	35%	0.353	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	40.3	-171.7	-168.2	49.3	0	0	0	112.5	Q612	Q612-N616 WeakPolarHBondContact O-CA 3.24Å; Q612-N616 PolarHBondContact O-N 3.04Å
617	I	95.7	Very high	94.1	Very high	20 Å²	20	45.4 Å²	45.4	10%	0.103	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	139.3	177.7	-65.4	171.3	0	0	0	108.9	Q612 D615 L619 E640	Q612-I617 PolarHBondContact N-O 2.93Å; Q612-I617 PolarHBondContact O-N 3.36Å; D615-I617 HydrophobicContact CB-CB 4.39Å; D615-I617 HydrophobicContact CB-CD1 3.53Å; D615-I617 HydrophobicContact CB-CG1 3.72Å; D615-I617 PolarHBondContact O-N 2.74Å; I617-L619 HydrophobicContact CG2-CD2 3.87Å; I617-E640 HydrophobicContact CG2-CB 3.94Å; I617-E640 HydrophobicContact CG2-CG 3.76Å
618	L	97.6	Very high	94.1	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	112.4	168.8	-176.7	63.1	0	0	0	108.9	A422 L609 P611 L632 H637 N638 V639 E640	A422-L618 HydrophobicContact CB-CD1 3.94Å; A422-L618 HydrophobicContact CB-CD2 4.07Å; L609-L618 HydrophobicContact CB-CD1 4.18Å; L609-L618 HydrophobicContact CD1-CD1 4.19Å; P611-L618 HydrophobicContact CB-CD1 4.37Å; P611-L618 HydrophobicContact CG-CD1 4.05Å; L618-L632 HydrophobicContact CD2-CD1 3.94Å; L618-L632 HydrophobicContact CD2-CD2 4.22Å; L618-L632 HydrophobicContact CD2-CG 4.48Å; L618-H637 HydrophobicContact CB-CB 4.36Å; L618-H637 HydrophobicContact CD2-CB 3.95Å; L618-N638 PolarHBondContact N-O 3.22Å; L618-V639 HydrophobicContact CB-CG2 4.37Å; L618-V639 HydrophobicContact CD2-CG2 4.31Å; L618-V639 CarbonylContact O-C 3.54Å; L618-V639 VanDerWaalsContact O-CA 3.24Å; L618-V639 WeakPolarHBondContact O-CA 3.14Å; L618-E640 PolarHBondContact O-N 3.09Å
619	L	97.5	Very high	94.2	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	142.1	173.3	-55.5	-179.7	0	0	0	110.5	L609 H610 Q612 I617 E640 R642 L645	L609-L619 CarbonylContact C-O 3.53Å; L609-L619 WeakPolarHBondContact CA-O 3.32Å; H610-L619 HydrophobicContact CB-CB 4.46Å; H610-L619 PolarHBondContact N-O 2.66Å; H610-L619 WeakPolarHBondContact O-CB 3.24Å; H610-L619 PolarHBondContact O-N 2.91Å; Q612-L619 HydrophobicContact CG-CD1 3.79Å; Q612-L619 HydrophobicContact CG-CG 3.94Å; I617-L619 HydrophobicContact CG2-CD2 3.87Å; L619-E640 CarbonylContact C-O 3.57Å; L619-E640 VanDerWaalsContact CA-O 3.31Å; L619-E640 WeakPolarHBondContact CA-O 3.48Å; L619-E640 HydrophobicContact CD2-CB 3.9Å; L619-R642 HydrophobicContact CD1-CG 4.29Å; L619-R642 HydrophobicContact CD2-CG 4.25Å; L619-L645 HydrophobicContact CB-CD1 4Å; L619-L645 HydrophobicContact CB-CD2 3.63Å; L619-L645 HydrophobicContact CB-CG 4.47Å; L619-L645 HydrophobicContact CD1-CD2 3.79Å; L619-L645 HydrophobicContact CG-CD2 4.37Å
620	V	97.4	Very high	94.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.3	168	-62.7	0	0	0	0	110.5	R608 L609 F624 V629 V639 E640 W641 R642	R608-V620 WeakPolarHBondContact O-CA 3.47Å; L609-V620 HydrophobicContact CB-CG1 4.14Å; V620-F624 HydrophobicContact CB-CB 3.97Å; V620-F624 HydrophobicContact CB-CD1 4.34Å; V620-F624 HydrophobicContact CB-CD2 4.38Å; V620-F624 HydrophobicContact CB-CG 3.99Å; V620-F624 HydrophobicContact CG1-CD1 4.1Å; V620-F624 HydrophobicContact CG1-CD2 4.35Å; V620-F624 HydrophobicContact CG1-CE1 4.32Å; V620-F624 HydrophobicContact CG1-CG 4.11Å; V620-F624 HydrophobicContact CG2-CB 4.41Å; V620-V629 HydrophobicContact CG2-CG2 4.01Å; V620-V639 HydrophobicContact CB-CG1 4.31Å; V620-V639 HydrophobicContact CG1-CG1 3.83Å; V620-V639 HydrophobicContact CG2-CG1 3.55Å; V620-E640 PolarHBondContact N-O 3.36Å; V620-W641 HydrophobicContact CG2-CD2 3.77Å; V620-W641 HydrophobicContact CG2-CE3 3.83Å; V620-W641 HydrophobicContact CG2-CG 4.21Å; V620-W641 HydrophobicContact CG2-CH2 4.49Å; V620-W641 HydrophobicContact CG2-CZ2 4.44Å; V620-W641 HydrophobicContact CG2-CZ3 4.19Å; V620-W641 CarbonylContact O-C 3.57Å; V620-W641 WeakPolarHBondContact O-CA 3.29Å; V620-R642 PolarHBondContact O-N 3.25Å
621	D	95.3	Very high	94	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	171.3	176.4	75.4	-2.4	0	0	0	113	G607 R608 E623 F624 W641 R642 L645 R665	G607-D621 WeakPolarHBondContact CA-OD1 3.45Å; R608-D621 VanDerWaalsContact N-CG 3.33Å; R608-D621 PolarHBondContact N-OD1 3.2Å; R608-D621 PolarHBondContact N-OD2 3.44Å; R608-D621 PolarHBondContact O-N 3.14Å; D621-E623 PolarHBondContact O-N 3.1Å; D621-E623 VanDerWaalsContact O-N 3.14Å; D621-E623 PolarHBondContact OD1-N 3.04Å; D621-F624 WeakPolarHBondContact O-CB 3.44Å; D621-F624 PolarHBondContact O-N 3.06Å; D621-F624 VanDerWaalsContact O-N 3.1Å; D621-W641 WeakPolarHBondContact O-CZ3 3.44Å; D621-R642 CarbonylContact C-O 3.59Å; D621-R642 WeakPolarHBondContact CA-O 3.4Å; D621-L645 HydrophobicContact CB-CB 4.28Å; D621-L645 HydrophobicContact CB-CD1 4.18Å; D621-L645 HydrophobicContact CB-CG 3.95Å; D621-R665 IonicContact OD2-CZ 3.23Å; D621-R665 IonicContact OD2-NE 2.75Å; D621-R665 PolarHBondContact OD2-NE 3.18Å; D621-R665 VanDerWaalsContact OD2-NE 3.09Å; D621-R665 IonicContact OD2-NH2 3.57Å; D621-R665 PolarHBondContact OD2-NH2 3.48Å
622	A	94.9	Very high	94.1	Very high	59 Å²	59	53.3 Å²	53.3	49%	0.488	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18	-176.2	0	0	0	0	0	114.6	F624 R642	A622-F624 VanDerWaalsContact C-N 3.31Å; A622-R642 PolarHBondContact N-O 3.17Å
623	E	94.4	Very high	94.3	Very high	114 Å²	114	55.8 Å²	55.8	53%	0.533	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.9	178.9	-59.1	-58.3	152.2	0	0	112.5	D621	D621-E623 PolarHBondContact O-N 3.1Å; D621-E623 VanDerWaalsContact O-N 3.14Å; D621-E623 PolarHBondContact OD1-N 3.04Å
624	F	93.9	Very high	94.5	Very high	9 Å²	9	58.6 Å²	58.6	4%	0.039	31%	0.311	C	S	.	.	S	Bend	trans	-73.9	141.5	175.5	-140.6	-96	0	0	0	110.9	Y418 L609 V620 D621 A622 D628 V629 L632 W641	Y418-F624 AromaticContact CD1-CE2 3.99Å; Y418-F624 HydrophobicContact CD1-CE2 3.99Å; Y418-F624 AromaticContact CD1-CZ 3.64Å; Y418-F624 HydrophobicContact CD1-CZ 3.64Å; Y418-F624 HydrophobicContact CD2-CE1 4.37Å; Y418-F624 AromaticContact CD2-CZ 3.85Å; Y418-F624 HydrophobicContact CD2-CZ 3.85Å; Y418-F624 AromaticContact CE1-CE2 3.79Å; Y418-F624 HydrophobicContact CE1-CE2 3.79Å; Y418-F624 AromaticContact CE1-CZ 3.76Å; Y418-F624 HydrophobicContact CE1-CZ 3.76Å; Y418-F624 HydrophobicContact CE2-CE1 4.47Å; Y418-F624 AromaticContact CE2-CZ 3.97Å; Y418-F624 HydrophobicContact CE2-CZ 3.97Å; Y418-F624 HydrophobicContact CG-CE2 4.49Å; Y418-F624 AromaticContact CG-CZ 3.7Å; Y418-F624 HydrophobicContact CG-CZ 3.7Å; Y418-F624 AromaticContact CZ-CZ 3.93Å; L609-F624 HydrophobicContact CB-CE2 4.33Å; L609-F624 HydrophobicContact CD2-CE2 4.42Å; L609-F624 HydrophobicContact CD2-CZ 4.26Å; V620-F624 HydrophobicContact CB-CB 3.97Å; V620-F624 HydrophobicContact CB-CD1 4.34Å; V620-F624 HydrophobicContact CB-CD2 4.38Å; V620-F624 HydrophobicContact CB-CG 3.99Å; V620-F624 HydrophobicContact CG1-CD1 4.1Å; V620-F624 HydrophobicContact CG1-CD2 4.35Å; V620-F624 HydrophobicContact CG1-CE1 4.32Å; V620-F624 HydrophobicContact CG1-CG 4.11Å; V620-F624 HydrophobicContact CG2-CB 4.41Å; D621-F624 WeakPolarHBondContact O-CB 3.44Å; D621-F624 PolarHBondContact O-N 3.06Å; D621-F624 VanDerWaalsContact O-N 3.1Å; A622-F624 VanDerWaalsContact C-N 3.31Å; F624-D628 HydrophobicContact CD1-CB 4.04Å; F624-D628 HydrophobicContact CE1-CB 3.58Å; F624-D628 HydrophobicContact CZ-CB 4.43Å; F624-V629 HydrophobicContact CD1-CG2 3.71Å; F624-V629 HydrophobicContact CE1-CG2 4.31Å; F624-L632 HydrophobicContact CE1-CD1 3.76Å; F624-L632 HydrophobicContact CZ-CD1 4.01Å; F624-W641 HydrophobicContact CB-CH2 4.3Å; F624-W641 HydrophobicContact CB-CZ3 4.05Å; F624-W641 VanDerWaalsContact O-CH2 3.26Å; F624-W641 WeakPolarHBondContact O-CH2 3.43Å; F624-W641 WeakPolarHBondContact O-CZ3 3.48Å
625	L	94.3	Very high	95.1	Very high	89 Å²	89	53.8 Å²	53.8	47%	0.466	29%	0.288	S	S	.	.			trans	-79.6	137.8	179.2	-57.1	179.1	0	0	0	110.5	R414 D627 D628 V629	R414-L625 VanDerWaalsContact NH1-CD1 3.31Å; L625-D627 VanDerWaalsContact C-N 3.29Å; L625-D627 PolarHBondContact O-N 2.98Å; L625-D628 HydrophobicContact CB-CB 4.37Å; L625-D628 WeakPolarHBondContact CB-OD2 3.43Å; L625-D628 WeakPolarHBondContact O-CB 3Å; L625-D628 PolarHBondContact O-N 3.18Å; L625-V629 PolarHBondContact O-N 3.31Å; L625-V629 VanDerWaalsContact O-N 3.17Å
626	K	95.1	Very high	95.6	Very high	140 Å²	140	51.2 Å²	51.2	61%	0.609	29%	0.286	S	S	*	.	H	α-helix	trans	-57	-42.2	178	-170.4	-177.2	174.8	-167.7	0	112.6	D628 V629 E630	K626-D628 VanDerWaalsContact C-N 3.26Å; K626-D628 PolarHBondContact O-N 2.88Å; K626-V629 WeakPolarHBondContact O-CB 3.41Å; K626-V629 PolarHBondContact O-N 3.42Å; K626-E630 WeakPolarHBondContact CE-OE1 3.47Å; K626-E630 IonicContact NZ-OE1 2.66Å; K626-E630 PolarHBondContact O-N 2.9Å
627	D	95.1	Very high	95.9	Very high	114 Å²	114	48.6 Å²	48.6	61%	0.61	27%	0.272	S	S	*	.	H	α-helix	trans	-61.1	-35.6	178	-62.4	2	0	0	0	111.8	L625 V629 E630 L631	L625-D627 VanDerWaalsContact C-N 3.29Å; L625-D627 PolarHBondContact O-N 2.98Å; D627-V629 VanDerWaalsContact C-N 3.35Å; D627-E630 PolarHBondContact O-N 2.84Å; D627-L631 WeakPolarHBondContact O-CD1 3.32Å; D627-L631 VanDerWaalsContact O-CG 3.25Å; D627-L631 WeakPolarHBondContact O-CG 3.07Å; D627-L631 PolarHBondContact O-N 3.05Å
628	D	95.1	Very high	96	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.048	29%	0.291	C	S	.	.	H	α-helix	trans	-70.7	-32.2	176.4	-68.1	-46.6	0	0	0	111.6	R414 Y418 F624 L625 K626 L631 L632	R414-D628 IonicContact CZ-OD1 2.71Å; R414-D628 IonicContact CZ-OD2 3.09Å; R414-D628 IonicContact NE-OD2 3.46Å; R414-D628 IonicContact NH1-OD2 3.9Å; R414-D628 IonicContact NH2-OD2 2.8Å; R414-D628 PolarHBondContact NH2-OD2 3.08Å; Y418-D628 HydrophobicContact CD2-CB 4.13Å; Y418-D628 HydrophobicContact CE2-CB 3.99Å; F624-D628 HydrophobicContact CD1-CB 4.04Å; F624-D628 HydrophobicContact CE1-CB 3.58Å; F624-D628 HydrophobicContact CZ-CB 4.43Å; L625-D628 HydrophobicContact CB-CB 4.37Å; L625-D628 WeakPolarHBondContact CB-OD2 3.43Å; L625-D628 WeakPolarHBondContact O-CB 3Å; L625-D628 PolarHBondContact O-N 3.18Å; K626-D628 VanDerWaalsContact C-N 3.26Å; K626-D628 PolarHBondContact O-N 2.88Å; D628-L631 PolarHBondContact O-N 3.5Å; D628-L632 WeakPolarHBondContact O-CG 3.48Å; D628-L632 PolarHBondContact O-N 2.97Å; D628-L632 VanDerWaalsContact O-N 3.11Å
629	V	96.5	Very high	96	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.024	29%	0.294	C	S	.	.	H	α-helix	trans	-65.6	-46.9	172.9	173.8	0	0	0	0	111.2	V620 F624 L625 K626 D627 L631 L632 E633 V639 W641	V620-V629 HydrophobicContact CG2-CG2 4.01Å; F624-V629 HydrophobicContact CD1-CG2 3.71Å; F624-V629 HydrophobicContact CE1-CG2 4.31Å; L625-V629 PolarHBondContact O-N 3.31Å; L625-V629 VanDerWaalsContact O-N 3.17Å; K626-V629 WeakPolarHBondContact O-CB 3.41Å; K626-V629 PolarHBondContact O-N 3.42Å; D627-V629 VanDerWaalsContact C-N 3.35Å; V629-L631 PolarHBondContact O-N 2.78Å; V629-L632 WeakPolarHBondContact O-CA 3.22Å; V629-L632 WeakPolarHBondContact O-CB 3.42Å; V629-L632 PolarHBondContact O-N 3.28Å; V629-E633 HydrophobicContact CG1-CG 4.22Å; V629-E633 WeakPolarHBondContact O-CG 3.22Å; V629-E633 PolarHBondContact O-N 3.45Å; V629-V639 HydrophobicContact CG1-CB 3.87Å; V629-V639 HydrophobicContact CG1-CG1 3.71Å; V629-V639 HydrophobicContact CG1-CG2 4.15Å; V629-V639 HydrophobicContact CG2-CG1 4.31Å; V629-W641 HydrophobicContact CB-CZ2 4.19Å; V629-W641 HydrophobicContact CG2-CH2 3.85Å; V629-W641 HydrophobicContact CG2-CZ2 3.48Å; V629-W641 VanDerWaalsContact CG2-CZ2 3.48Å
630	E	96.3	Very high	96	Very high	97 Å²	97	55.9 Å²	55.9	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-58.4	-34.4	177.8	-67.8	178.6	-172.5	0	0	111.3	K626 D627 A634	K626-E630 WeakPolarHBondContact CE-OE1 3.47Å; K626-E630 IonicContact NZ-OE1 2.66Å; K626-E630 PolarHBondContact O-N 2.9Å; D627-E630 PolarHBondContact O-N 2.84Å; E630-A634 WeakPolarHBondContact O-CB 3.33Å; E630-A634 PolarHBondContact O-N 2.87Å
631	L	94.9	Very high	96	Very high	77 Å²	77	61.1 Å²	61.1	40%	0.403	33%	0.33	S	S	.	.	H	α-helix	trans	-71.7	-32.6	175.1	-66.2	167.1	0	0	0	113.3	D627 D628 V629 K635	D627-L631 WeakPolarHBondContact O-CD1 3.32Å; D627-L631 VanDerWaalsContact O-CG 3.25Å; D627-L631 WeakPolarHBondContact O-CG 3.07Å; D627-L631 PolarHBondContact O-N 3.05Å; D628-L631 PolarHBondContact O-N 3.5Å; V629-L631 PolarHBondContact O-N 2.78Å; L631-K635 PolarHBondContact O-N 2.92Å
632	L	96.9	Very high	96	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-71.4	-43.2	173	-74	166.2	0	0	0	111.1	H419 L618 F624 D628 V629 A634 K635 G636 H637 V639	H419-L632 HydrophobicContact CB-CD2 4.34Å; L618-L632 HydrophobicContact CD2-CD1 3.94Å; L618-L632 HydrophobicContact CD2-CD2 4.22Å; L618-L632 HydrophobicContact CD2-CG 4.48Å; F624-L632 HydrophobicContact CE1-CD1 3.76Å; F624-L632 HydrophobicContact CZ-CD1 4.01Å; D628-L632 WeakPolarHBondContact O-CG 3.48Å; D628-L632 PolarHBondContact O-N 2.97Å; D628-L632 VanDerWaalsContact O-N 3.11Å; V629-L632 WeakPolarHBondContact O-CA 3.22Å; V629-L632 WeakPolarHBondContact O-CB 3.42Å; V629-L632 PolarHBondContact O-N 3.28Å; L632-A634 VanDerWaalsContact C-N 3.33Å; L632-A634 PolarHBondContact O-N 3.43Å; L632-K635 CarbonylContact O-C 3.45Å; L632-K635 WeakPolarHBondContact O-CA 3.22Å; L632-K635 PolarHBondContact O-N 2.88Å; L632-G636 PolarHBondContact O-N 2.93Å; L632-H637 HydrophobicContact CB-CB 4.25Å; L632-H637 WeakPolarHBondContact O-CB 3.41Å; L632-H637 PolarHBondContact O-CD2 2.78Å; L632-H637 PolarHBondContact O-N 2.76Å; L632-V639 HydrophobicContact CB-CG2 4.25Å
633	E	97.2	Very high	95.9	Very high	98 Å²	98	69.7 Å²	69.7	46%	0.458	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-40.3	175.4	-70.2	178.8	159.2	0	0	111.6	V629 K635 G636 H637 V639	V629-E633 HydrophobicContact CG1-CG 4.22Å; V629-E633 WeakPolarHBondContact O-CG 3.22Å; V629-E633 PolarHBondContact O-N 3.45Å; E633-K635 PolarHBondContact O-N 3Å; E633-G636 WeakPolarHBondContact O-CA 3.33Å; E633-G636 PolarHBondContact O-N 2.82Å; E633-H637 WeakPolarHBondContact CA-O 3.48Å; E633-V639 HydrophobicContact CG-CB 4.37Å; E633-V639 HydrophobicContact CG-CG2 4Å
634	A	96.4	Very high	95.8	Very high	84 Å²	84	67.4 Å²	67.4	69%	0.694	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.4	174.3	0	0	0	0	0	113.3	E630 L632	E630-A634 WeakPolarHBondContact O-CB 3.33Å; E630-A634 PolarHBondContact O-N 2.87Å; L632-A634 VanDerWaalsContact C-N 3.33Å; L632-A634 PolarHBondContact O-N 3.43Å
635	K	96.4	Very high	95.6	Very high	35 Å²	35	67.1 Å²	67.1	15%	0.152	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	5.8	172.8	-66.3	176.1	-179.2	-68.7	0	112.8	H419 D466 Q468 A469 L631 L632 E633	H419-K635 HydrophobicContact CB-CD 3.57Å; D466-K635 PolarHBondContact O-NZ 2.79Å; Q468-K635 CarbonylContact C-O 3.46Å; Q468-K635 VanDerWaalsContact CA-O 3.3Å; Q468-K635 WeakPolarHBondContact CA-O 3.37Å; A469-K635 PolarHBondContact N-O 3.21Å; L631-K635 PolarHBondContact O-N 2.92Å; L632-K635 CarbonylContact O-C 3.45Å; L632-K635 WeakPolarHBondContact O-CA 3.22Å; L632-K635 PolarHBondContact O-N 2.88Å; E633-K635 PolarHBondContact O-N 3Å
636	G	96.4	Very high	95.5	Very high	53 Å²	53	63 Å²	63	55%	0.546	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	11.6	174.8	0	0	0	0	0	115.7	L632 E633	L632-G636 PolarHBondContact O-N 2.93Å; E633-G636 WeakPolarHBondContact O-CA 3.33Å; E633-G636 PolarHBondContact O-N 2.82Å
637	H	97.3	Very high	95.5	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.056	31%	0.308	C	S	.	.			trans	-74.8	133.8	171	-69.4	-74.7	0	0	0	110.7	H419 E423 A469 L618 L632 E633 V639	H419-H637 AromaticContact CE1-NE2 3.9Å; H419-H637 AromaticContact CG-NE2 4Å; H419-H637 AromaticContact ND1-CD2 3.84Å; H419-H637 AromaticContact ND1-NE2 3.1Å; H419-H637 PolarHBondContact ND1-NE2 2.92Å; H419-H637 VanDerWaalsContact ND1-NE2 3.1Å; E423-H637 IonicContact OE1-CE1 3.83Å; E423-H637 PolarHBondContact OE1-CE1 3.36Å; E423-H637 IonicContact OE1-ND1 2.73Å; A469-H637 VanDerWaalsContact CB-CE1 3.49Å; A469-H637 WeakPolarHBondContact CB-CE1 3.31Å; L618-H637 HydrophobicContact CB-CB 4.36Å; L618-H637 HydrophobicContact CD2-CB 3.95Å; L632-H637 HydrophobicContact CB-CB 4.25Å; L632-H637 WeakPolarHBondContact O-CB 3.41Å; L632-H637 PolarHBondContact O-CD2 2.78Å; L632-H637 PolarHBondContact O-N 2.76Å; E633-H637 WeakPolarHBondContact CA-O 3.48Å; H637-V639 HydrophobicContact CB-CG2 4.06Å
638	N	97.3	Very high	95.6	Very high	93 Å²	93	52.1 Å²	52.1	50%	0.497	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	107.5	169.7	-177.6	31.4	0	0	0	109	L618	L618-N638 PolarHBondContact N-O 3.22Å
639	V	97.7	Very high	95.7	Very high	15 Å²	15	51.7 Å²	51.7	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.7	-167.9	-175.4	0	0	0	0	112.2	L618 V620 V629 L632 E633 H637	L618-V639 HydrophobicContact CB-CG2 4.37Å; L618-V639 HydrophobicContact CD2-CG2 4.31Å; L618-V639 CarbonylContact O-C 3.54Å; L618-V639 VanDerWaalsContact O-CA 3.24Å; L618-V639 WeakPolarHBondContact O-CA 3.14Å; V620-V639 HydrophobicContact CB-CG1 4.31Å; V620-V639 HydrophobicContact CG1-CG1 3.83Å; V620-V639 HydrophobicContact CG2-CG1 3.55Å; V629-V639 HydrophobicContact CG1-CB 3.87Å; V629-V639 HydrophobicContact CG1-CG1 3.71Å; V629-V639 HydrophobicContact CG1-CG2 4.15Å; V629-V639 HydrophobicContact CG2-CG1 4.31Å; L632-V639 HydrophobicContact CB-CG2 4.25Å; E633-V639 HydrophobicContact CG-CB 4.37Å; E633-V639 HydrophobicContact CG-CG2 4Å; H637-V639 HydrophobicContact CB-CG2 4.06Å
640	E	97.6	Very high	95.7	Very high	70 Å²	70	51.5 Å²	51.5	33%	0.327	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.1	169.8	-70.7	-168.2	-179.3	0	0	112.5	I617 L618 L619 V620 R642	I617-E640 HydrophobicContact CG2-CB 3.94Å; I617-E640 HydrophobicContact CG2-CG 3.76Å; L618-E640 PolarHBondContact O-N 3.09Å; L619-E640 CarbonylContact C-O 3.57Å; L619-E640 VanDerWaalsContact CA-O 3.31Å; L619-E640 WeakPolarHBondContact CA-O 3.48Å; L619-E640 HydrophobicContact CD2-CB 3.9Å; V620-E640 PolarHBondContact N-O 3.36Å; E640-R642 IonicContact OE2-CZ 3.68Å; E640-R642 VanDerWaalsContact OE2-CZ 3.29Å; E640-R642 IonicContact OE2-NH1 3.82Å; E640-R642 PolarHBondContact OE2-NH1 3.46Å; E640-R642 IonicContact OE2-NH2 3.9Å; E640-R642 PolarHBondContact OE2-NH2 3.11Å
641	W	97.2	Very high	95.7	Very high	111 Å²	111	46.9 Å²	46.9	42%	0.42	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	146.1	178.5	-64.9	81.5	0	0	0	111.9	V620 D621 F624 V629	V620-W641 HydrophobicContact CG2-CD2 3.77Å; V620-W641 HydrophobicContact CG2-CE3 3.83Å; V620-W641 HydrophobicContact CG2-CG 4.21Å; V620-W641 HydrophobicContact CG2-CH2 4.49Å; V620-W641 HydrophobicContact CG2-CZ2 4.44Å; V620-W641 HydrophobicContact CG2-CZ3 4.19Å; V620-W641 CarbonylContact O-C 3.57Å; V620-W641 WeakPolarHBondContact O-CA 3.29Å; D621-W641 WeakPolarHBondContact O-CZ3 3.44Å; F624-W641 HydrophobicContact CB-CH2 4.3Å; F624-W641 HydrophobicContact CB-CZ3 4.05Å; F624-W641 VanDerWaalsContact O-CH2 3.26Å; F624-W641 WeakPolarHBondContact O-CH2 3.43Å; F624-W641 WeakPolarHBondContact O-CZ3 3.48Å; V629-W641 HydrophobicContact CB-CZ2 4.19Å; V629-W641 HydrophobicContact CG2-CH2 3.85Å; V629-W641 HydrophobicContact CG2-CZ2 3.48Å; V629-W641 VanDerWaalsContact CG2-CZ2 3.48Å
642	R	95.1	Very high	95.7	Very high	95 Å²	95	45.6 Å²	45.6	36%	0.358	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.7	168.7	-63.8	-64.6	-177.4	-91.3	-1.5	109.2	L619 V620 D621 A622 E640 L645	L619-R642 HydrophobicContact CD1-CG 4.29Å; L619-R642 HydrophobicContact CD2-CG 4.25Å; V620-R642 PolarHBondContact O-N 3.25Å; D621-R642 CarbonylContact C-O 3.59Å; D621-R642 WeakPolarHBondContact CA-O 3.4Å; A622-R642 PolarHBondContact N-O 3.17Å; E640-R642 IonicContact OE2-CZ 3.68Å; E640-R642 VanDerWaalsContact OE2-CZ 3.29Å; E640-R642 IonicContact OE2-NH1 3.82Å; E640-R642 PolarHBondContact OE2-NH1 3.46Å; E640-R642 IonicContact OE2-NH2 3.9Å; E640-R642 PolarHBondContact OE2-NH2 3.11Å; R642-L645 HydrophobicContact CB-CD2 3.74Å; R642-L645 HydrophobicContact CB-CG 4.27Å; R642-L645 HydrophobicContact CG-CD2 3.76Å
643	D	92.4	Very high	95.5	Very high	143 Å²	143	47.2 Å²	47.2	77%	0.765	25%	0.25	S	S	*	.	S	Bend	trans	-65.9	-51.5	178.3	-62.4	-26.5	0	0	0	110.8
644	V	92	Very high	95	Very high	66 Å²	66	44.5 Å²	44.5	40%	0.4	24%	0.24	S	C	.	.			trans	-138.4	128.4	179.3	-179	0	0	0	0	109.4	L647 R665	V644-L647 HydrophobicContact CG1-CD2 3.61Å; V644-L647 HydrophobicContact CG1-CG 4.11Å; V644-R665 HydrophobicContact CG1-CB 4.42Å; V644-R665 HydrophobicContact CG2-CB 4.23Å
645	L	91.6	Very high	94.4	Very high	4 Å²	4	46 Å²	46	2%	0.021	24%	0.237	C	C	.	.	S	Bend	trans	-97.4	-46.9	177.4	-73.9	179.4	0	0	0	113.9	K581 R608 H610 L619 D621 R642	K581-L645 WeakPolarHBondContact CB-O 3.19Å; K581-L645 HydrophobicContact CD-CD2 4.48Å; K581-L645 WeakPolarHBondContact CD-O 3.5Å; R608-L645 HydrophobicContact CB-CD1 4.49Å; R608-L645 WeakPolarHBondContact O-CD1 2.99Å; H610-L645 HydrophobicContact CB-CD1 4.22Å; L619-L645 HydrophobicContact CB-CD1 4Å; L619-L645 HydrophobicContact CB-CD2 3.63Å; L619-L645 HydrophobicContact CB-CG 4.47Å; L619-L645 HydrophobicContact CD1-CD2 3.79Å; L619-L645 HydrophobicContact CG-CD2 4.37Å; D621-L645 HydrophobicContact CB-CB 4.28Å; D621-L645 HydrophobicContact CB-CD1 4.18Å; D621-L645 HydrophobicContact CB-CG 3.95Å; R642-L645 HydrophobicContact CB-CD2 3.74Å; R642-L645 HydrophobicContact CB-CG 4.27Å; R642-L645 HydrophobicContact CG-CD2 3.76Å
646	S	91.9	Very high	93.6	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	26%	0.255	C	S	.	.			trans	-142.8	155.7	-178.7	165	0	0	0	0	107.3	S576 N578 R608 V648	S576-S646 PolarHBondContact OG-OG 3.02Å; N578-S646 WeakPolarHBondContact OD1-CA 3.44Å; R608-S646 PolarHBondContact NH1-O 3.08Å; S646-V648 WeakPolarHBondContact OG-CG2 3.21Å
647	L	94.8	Very high	93.2	Very high	25 Å²	25	51.5 Å²	51.5	13%	0.131	26%	0.255	C	S	.	.			trans	-122.3	115	170.7	-61.7	175.6	0	0	0	105.6	S576 S577 N578 V644 D663 R665	S576-L647 WeakPolarHBondContact CA-O 3.44Å; S576-L647 VanDerWaalsContact CB-O 3.29Å; S576-L647 WeakPolarHBondContact CB-O 3.48Å; S576-L647 PolarHBondContact OG-O 3.11Å; S577-L647 PolarHBondContact N-O 3.17Å; N578-L647 PolarHBondContact OD1-N 2.95Å; V644-L647 HydrophobicContact CG1-CD2 3.61Å; V644-L647 HydrophobicContact CG1-CG 4.11Å; L647-D663 HydrophobicContact CD2-CB 4.42Å; L647-R665 HydrophobicContact CD2-CB 3.67Å
648	V	96.8	Very high	92.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.6	-179.3	-179.1	0	0	0	0	107.4	V574 G575 V589 L604 S646 D663	V574-V648 HydrophobicContact CB-CG1 4.29Å; V574-V648 HydrophobicContact CG1-CG1 4.3Å; G575-V648 WeakPolarHBondContact O-CA 3.49Å; G575-V648 WeakPolarHBondContact O-CG1 3.43Å; V589-V648 HydrophobicContact CB-CG1 4.34Å; V589-V648 HydrophobicContact CG1-CG1 4.32Å; V589-V648 HydrophobicContact CG2-CB 4.13Å; V589-V648 HydrophobicContact CG2-CG1 3.98Å; V589-V648 HydrophobicContact CG2-CG2 4.2Å; L604-V648 WeakPolarHBondContact CD1-O 3.22Å; L604-V648 HydrophobicContact CD2-CB 3.75Å; L604-V648 HydrophobicContact CD2-CG1 3.68Å; L604-V648 VanDerWaalsContact CD2-O 3.24Å; L604-V648 WeakPolarHBondContact CD2-O 3.33Å; S646-V648 WeakPolarHBondContact OG-CG2 3.21Å; V648-D663 PolarHBondContact N-OD2 3.06Å; V648-D663 VanDerWaalsContact N-OD2 3.11Å
649	E	96.9	Very high	92.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.5	178.1	-54.9	-67.3	155.8	0	0	108.3	V157 Q489 V574 G575 K662 D663 S666	V157-E649 HydrophobicContact CG1-CB 3.92Å; V157-E649 WeakPolarHBondContact CG1-OE2 3.44Å; Q489-E649 HydrophobicContact CG-CB 4Å; Q489-E649 HydrophobicContact CG-CG 3.85Å; V574-E649 WeakPolarHBondContact CA-O 3.21Å; G575-E649 PolarHBondContact N-O 3.33Å; G575-E649 PolarHBondContact O-N 3.05Å; E649-K662 WeakPolarHBondContact OE2-CA 3.44Å; E649-K662 WeakPolarHBondContact OE2-CB 3.49Å; E649-D663 WeakPolarHBondContact OE1-CB 3.27Å; E649-D663 PolarHBondContact OE1-N 3.1Å; E649-D663 PolarHBondContact OE2-N 2.95Å; E649-S666 WeakPolarHBondContact OE1-CB 3.34Å; E649-S666 PolarHBondContact OE1-OG 3.23Å
650	G	96.2	Very high	92.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	160	-179.2	0	0	0	0	0	117.2	A573 V661	A573-G650 CarbonylContact O-C 3.57Å; A573-G650 WeakPolarHBondContact O-CA 3.34Å; G650-V661 PolarHBondContact N-O 2.79Å; G650-V661 VanDerWaalsContact N-O 3.12Å; G650-V661 PolarHBondContact O-N 3.32Å
651	T	96.8	Very high	92.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.6	171.2	51.2	0	0	0	0	109.3	A155 V157 M491 M493 V572 A573 I659	A155-T651 HydrophobicContact CB-CG2 3.95Å; V157-T651 HydrophobicContact CG2-CG2 3.84Å; M491-T651 HydrophobicContact CB-CG2 3.94Å; M493-T651 WeakPolarHBondContact CE-O 3.38Å; M493-T651 WeakPolarHBondContact CE-OG1 2.93Å; M493-T651 WeakPolarHBondContact CG-OG1 3.4Å; V572-T651 CarbonylContact C-O 3.52Å; V572-T651 WeakPolarHBondContact CA-O 3.42Å; A573-T651 WeakPolarHBondContact CB-OG1 3.43Å; A573-T651 PolarHBondContact N-O 3.44Å; A573-T651 PolarHBondContact O-N 3.25Å; T651-I659 CarbonylContact C-O 3.53Å; T651-I659 WeakPolarHBondContact CA-O 3.44Å
652	R	94.7	Very high	92.4	Very high	50 Å²	50	43.9 Å²	43.9	19%	0.189	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.4	178.7	-173.8	-175.1	70.5	158.7	3.8	109.4	T570 Y571 V572 M600 I658 I659	T570-R652 HydrophobicContact CG2-CG 3.3Å; Y571-R652 CarbonylContact O-C 3.35Å; Y571-R652 WeakPolarHBondContact O-CA 3.43Å; V572-R652 HydrophobicContact CG2-CG 4.49Å; M600-R652 HydrophobicContact CB-CB 4.45Å; R652-I658 WeakPolarHBondContact O-CA 3.37Å; R652-I658 CarbonylContact O-C 3.59Å; R652-I659 HydrophobicContact CB-CD1 4.46Å; R652-I659 HydrophobicContact CB-CG1 3.95Å; R652-I659 PolarHBondContact N-O 3.39Å; R652-I659 PolarHBondContact O-N 3.18Å
653	R	92.5	Very high	92.4	Very high	36 Å²	36	39.4 Å²	39.4	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.2	167.4	175.9	-178.7	-178.8	174.5	2.6	110.6	M493 D497 T570 Y571 N655 L657 I658	M493-R653 HydrophobicContact SD-CB 3.76Å; D497-R653 IonicContact OD1-CZ 2.66Å; D497-R653 IonicContact OD1-NH1 3.17Å; D497-R653 PolarHBondContact OD1-NH1 3.21Å; D497-R653 IonicContact OD1-NH2 2.54Å; D497-R653 PolarHBondContact OD1-NH2 2.86Å; T570-R653 WeakPolarHBondContact CA-O 3.39Å; Y571-R653 PolarHBondContact N-O 3.23Å; Y571-R653 PolarHBondContact O-N 3.34Å; R653-N655 WeakPolarHBondContact CG-O 3.26Å; R653-N655 PolarHBondContact NE-O 3.11Å; R653-L657 VanDerWaalsContact CA-O 3.3Å; R653-L657 WeakPolarHBondContact CA-O 3.48Å; R653-I658 HydrophobicContact CB-CG1 4.09Å; R653-I658 HydrophobicContact CG-CG1 3.88Å
654	T	87.9	Confident	92.5	Very high	40 Å²	40	36.2 Å²	36.2	25%	0.245	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	113	171.1	-55.3	0	0	0	0	107.6	T570 D656 L657	T570-T654 PolarHBondContact OG1-OG1 3.43Å; T654-D656 PolarHBondContact O-N 2.94Å; T654-L657 PolarHBondContact N-O 2.67Å; T654-L657 PolarHBondContact O-N 2.87Å
655	N	82.8	Confident	92.6	Very high	116 Å²	116	35 Å²	35	62%	0.62	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	-122.4	-166.8	-52.9	-33.5	0	0	0	110.3	R653	R653-N655 WeakPolarHBondContact CG-O 3.26Å; R653-N655 PolarHBondContact NE-O 3.11Å
656	D	80.2	Confident	92.7	Very high	101 Å²	101	35.1 Å²	35.1	54%	0.54	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-12.5	177.5	-57.9	-38.8	0	0	0	112.2	Q153 T654 I658	Q153-D656 PolarHBondContact NE2-O 3.03Å; Q153-D656 VanDerWaalsContact NE2-O 3.16Å; Q153-D656 PolarHBondContact OE1-O 3.23Å; T654-D656 PolarHBondContact O-N 2.94Å; D656-I658 VanDerWaalsContact O-N 3.11Å; D656-I658 PolarHBondContact O-N 3.1Å
657	L	87.1	Confident	92.5	Very high	102 Å²	102	38.6 Å²	38.6	53%	0.534	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	107.6	179.6	-178.2	62.9	0	0	0	110.6	R653 T654 I659	R653-L657 VanDerWaalsContact CA-O 3.3Å; R653-L657 WeakPolarHBondContact CA-O 3.48Å; T654-L657 PolarHBondContact N-O 2.67Å; T654-L657 PolarHBondContact O-N 2.87Å; L657-I659 HydrophobicContact CD1-CG2 4.05Å; L657-I659 HydrophobicContact CD2-CG2 4.41Å; L657-I659 HydrophobicContact CG-CG2 4.02Å
658	I	91.9	Very high	92.5	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.6	169.5	-54.7	179.1	0	0	0	108.2	Q153 A155 M493 R652 R653 D656 T673	Q153-I658 HydrophobicContact CB-CD1 4.07Å; Q153-I658 HydrophobicContact CB-CG1 4.35Å; A155-I658 HydrophobicContact CB-CG2 3.69Å; M493-I658 HydrophobicContact CB-CD1 4.46Å; M493-I658 HydrophobicContact CB-CG2 3.65Å; M493-I658 HydrophobicContact SD-CG2 4.39Å; R652-I658 WeakPolarHBondContact O-CA 3.37Å; R652-I658 CarbonylContact O-C 3.59Å; R653-I658 HydrophobicContact CB-CG1 4.09Å; R653-I658 HydrophobicContact CG-CG1 3.88Å; D656-I658 VanDerWaalsContact O-N 3.11Å; D656-I658 PolarHBondContact O-N 3.1Å; I658-T673 WeakPolarHBondContact O-CG2 3.47Å
659	I	93	Very high	92.4	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.205	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.9	173.3	61.7	172.8	0	0	0	110.7	T651 R652 L657 V661 T673	T651-I659 CarbonylContact C-O 3.53Å; T651-I659 WeakPolarHBondContact CA-O 3.44Å; R652-I659 HydrophobicContact CB-CD1 4.46Å; R652-I659 HydrophobicContact CB-CG1 3.95Å; R652-I659 PolarHBondContact N-O 3.39Å; R652-I659 PolarHBondContact O-N 3.18Å; L657-I659 HydrophobicContact CD1-CG2 4.05Å; L657-I659 HydrophobicContact CD2-CG2 4.41Å; L657-I659 HydrophobicContact CG-CG2 4.02Å; I659-V661 HydrophobicContact CD1-CG2 3.92Å; I659-V661 HydrophobicContact CG1-CG2 4.14Å; I659-T673 HydrophobicContact CG2-CG2 4.44Å
660	G	94.9	Very high	92.4	Very high	12 Å²	12	40.5 Å²	40.5	12%	0.124	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.9	164.9	0	0	0	0	0	109.4	V157 T673	V157-G660 VanDerWaalsContact CG2-CA 3.44Å; G660-T673 PolarHBondContact N-OG1 3.37Å
661	V	95.8	Very high	92.4	Very high	15 Å²	15	41.8 Å²	41.8	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.4	-179.7	-169.2	0	0	0	0	108.5	M600 L604 G650 I659	M600-V661 HydrophobicContact CB-CG2 3.95Å; M600-V661 HydrophobicContact CG-CB 3.88Å; M600-V661 HydrophobicContact CG-CG1 4.29Å; M600-V661 HydrophobicContact CG-CG2 3.74Å; L604-V661 HydrophobicContact CD1-CB 4Å; L604-V661 HydrophobicContact CD1-CG1 3.67Å; G650-V661 PolarHBondContact N-O 2.79Å; G650-V661 VanDerWaalsContact N-O 3.12Å; G650-V661 PolarHBondContact O-N 3.32Å; I659-V661 HydrophobicContact CD1-CG2 3.92Å; I659-V661 HydrophobicContact CG1-CG2 4.14Å
662	K	95.4	Very high	92.3	Very high	69 Å²	69	44.4 Å²	44.4	30%	0.3	25%	0.25	S	S	.	.			trans	-99.4	156.7	176.5	78.4	174.7	-159.5	78.5	0	113.8	V157 E649 S666 A669 A671	V157-K662 HydrophobicContact CG1-CB 4.35Å; E649-K662 WeakPolarHBondContact OE2-CA 3.44Å; E649-K662 WeakPolarHBondContact OE2-CB 3.49Å; K662-S666 PolarHBondContact NZ-O 2.9Å; K662-A669 HydrophobicContact CB-CB 4.45Å; K662-A669 WeakPolarHBondContact CE-O 3.49Å; K662-A669 WeakPolarHBondContact CD-O 3.41Å; K662-A669 HydrophobicContact CD-CB 4.29Å; K662-A671 HydrophobicContact CB-CB 4.25Å
663	D	95.9	Very high	92.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.255	C	S	.	.			trans	-65.4	131.4	167.8	-154.5	-61.8	0	0	0	109.9	R608 L647 V648 E649 R665 S666	R608-D663 IonicContact CZ-OD2 3.7Å; R608-D663 IonicContact NH1-OD1 4Å; R608-D663 IonicContact NH1-OD2 3.95Å; R608-D663 PolarHBondContact NH1-OD2 2.69Å; R608-D663 IonicContact NH2-OD2 2.69Å; R608-D663 PolarHBondContact NH2-OD2 2.75Å; L647-D663 HydrophobicContact CD2-CB 4.42Å; V648-D663 PolarHBondContact N-OD2 3.06Å; V648-D663 VanDerWaalsContact N-OD2 3.11Å; E649-D663 WeakPolarHBondContact OE1-CB 3.27Å; E649-D663 PolarHBondContact OE1-N 3.1Å; E649-D663 PolarHBondContact OE2-N 2.95Å; D663-R665 IonicContact OD2-NH1 3.67Å; D663-R665 VanDerWaalsContact OD1-CB 3.3Å; D663-R665 PolarHBondContact OD1-NH1 3.16Å; D663-R665 IonicContact OD1-NH1 3.18Å; D663-R665 PolarHBondContact OD1-N 3.29Å; D663-R665 IonicContact OD1-CZ 2.87Å; D663-R665 WeakPolarHBondContact OD1-CG 3.45Å; D663-R665 WeakPolarHBondContact OD1-CB 3.24Å; D663-R665 PolarHBondContact O-N 2.54Å; D663-S666 WeakPolarHBondContact CB-OG 3.3Å; D663-S666 PolarHBondContact O-N 3.03Å
664	P	94.6	Very high	91.6	Very high	77 Å²	77	44.2 Å²	44.2	50%	0.5	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.8	175.7	25.3	-34.6	0	0	0	112.7	A605 S666	A605-P664 HydrophobicContact CB-CG 3.88Å; P664-S666 VanDerWaalsContact C-N 3.34Å
665	R	93.9	Very high	90.5	Very high	40 Å²	40	46.4 Å²	46.4	15%	0.151	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.4	179.2	-56.2	169.3	-166.8	81.2	-10.3	112.9	L604 A605 Y606 D621 V644 L647 D663 A667	L604-R665 PolarHBondContact O-NH1 3.42Å; A605-R665 PolarHBondContact O-NH2 3.04Å; Y606-R665 PolarHBondContact O-NH2 3.11Å; D621-R665 IonicContact OD2-CZ 3.23Å; D621-R665 IonicContact OD2-NE 2.75Å; D621-R665 PolarHBondContact OD2-NE 3.18Å; D621-R665 VanDerWaalsContact OD2-NE 3.09Å; D621-R665 IonicContact OD2-NH2 3.57Å; D621-R665 PolarHBondContact OD2-NH2 3.48Å; V644-R665 HydrophobicContact CG1-CB 4.42Å; V644-R665 HydrophobicContact CG2-CB 4.23Å; L647-R665 HydrophobicContact CD2-CB 3.67Å; D663-R665 IonicContact OD2-NH1 3.67Å; D663-R665 VanDerWaalsContact OD1-CB 3.3Å; D663-R665 PolarHBondContact OD1-NH1 3.16Å; D663-R665 IonicContact OD1-NH1 3.18Å; D663-R665 PolarHBondContact OD1-N 3.29Å; D663-R665 IonicContact OD1-CZ 2.87Å; D663-R665 WeakPolarHBondContact OD1-CG 3.45Å; D663-R665 WeakPolarHBondContact OD1-CB 3.24Å; D663-R665 PolarHBondContact O-N 2.54Å; R665-A667 PolarHBondContact O-N 3.49Å
666	S	91.8	Very high	88.8	Confident	7 Å²	7	44.9 Å²	44.9	5%	0.049	27%	0.265	C	S	.	.			trans	-76.5	105.1	176.9	-61.2	0	0	0	0	110.1	E649 K662 D663 P664	E649-S666 WeakPolarHBondContact OE1-CB 3.34Å; E649-S666 PolarHBondContact OE1-OG 3.23Å; K662-S666 PolarHBondContact NZ-O 2.9Å; D663-S666 WeakPolarHBondContact CB-OG 3.3Å; D663-S666 PolarHBondContact O-N 3.03Å; P664-S666 VanDerWaalsContact C-N 3.34Å
667	A	89.1	Confident	86.6	Confident	74 Å²	74	47.3 Å²	47.3	61%	0.612	28%	0.276	S	S	*	.	S	Bend	trans	-67.1	-43.3	-177.5	0	0	0	0	0	112.7	R665	R665-A667 PolarHBondContact O-N 3.49Å
668	D	94.2	Very high	84.2	Confident	29 Å²	29	51.4 Å²	51.4	16%	0.155	31%	0.308	C	S	.	.	S	Bend	trans	-88.9	-18.3	-174.1	-68.7	-32.7	0	0	0	113.3	D159 V160 A161 T283 H284 D285	D159-D668 CarbonylContact O-C 3.6Å; V160-D668 WeakPolarHBondContact CA-O 3.48Å; A161-D668 PolarHBondContact N-O 2.67Å; A161-D668 VanDerWaalsContact N-O 3.11Å; T283-D668 VanDerWaalsContact CB-CG 3.43Å; T283-D668 WeakPolarHBondContact CB-OD2 3.25Å; T283-D668 PolarHBondContact OG1-OD2 2.98Å; H284-D668 PolarHBondContact N-OD1 2.87Å; H284-D668 PolarHBondContact N-OD2 3.2Å; D285-D668 WeakPolarHBondContact CB-OD2 3.38Å; D285-D668 VanDerWaalsContact CG-OD2 3.29Å; D285-D668 PolarHBondContact N-OD2 2.95Å
669	A	95.7	Very high	83.8	Confident	8 Å²	8	53.7 Å²	53.7	7%	0.066	32%	0.322	C	S	.	.			trans	-67.7	154.7	-175.4	0	0	0	0	0	113.2	T158 D159 K662	T158-A669 WeakPolarHBondContact O-CA 3.28Å; T158-A669 WeakPolarHBondContact O-CB 3.46Å; D159-A669 VanDerWaalsContact C-CA 3.48Å; D159-A669 WeakPolarHBondContact O-CA 3.49Å; D159-A669 PolarHBondContact O-N 2.93Å; D159-A669 VanDerWaalsContact O-N 3.1Å; K662-A669 HydrophobicContact CB-CB 4.45Å; K662-A669 WeakPolarHBondContact CE-O 3.49Å; K662-A669 WeakPolarHBondContact CD-O 3.41Å; K662-A669 HydrophobicContact CD-CB 4.29Å
670	S	97	Very high	83.4	Confident	28 Å²	28	54.4 Å²	54.4	20%	0.196	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.3	174.9	-164.2	0	0	0	0	111.9	V157 T158 A161 T164	V157-S670 WeakPolarHBondContact CA-O 3.14Å; V157-S670 WeakPolarHBondContact CG1-O 3.49Å; T158-S670 PolarHBondContact N-O 3.06Å; T158-S670 PolarHBondContact O-N 3.17Å; T158-S670 VanDerWaalsContact O-N 3.1Å; A161-S670 VanDerWaalsContact CA-CB 3.46Å; T164-S670 WeakPolarHBondContact OG1-CB 3.33Å; T164-S670 PolarHBondContact OG1-O 3.14Å
671	A	96.3	Very high	82.7	Confident	28 Å²	28	56.7 Å²	56.7	23%	0.231	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	123.6	173.1	0	0	0	0	0	108.3	V156 V157 K662	V156-A671 WeakPolarHBondContact O-CA 3.45Å; V157-A671 HydrophobicContact CB-CB 4.45Å; V157-A671 HydrophobicContact CG1-CB 4.15Å; V157-A671 HydrophobicContact CG2-CB 3.75Å; K662-A671 HydrophobicContact CB-CB 4.25Å
672	L	94.2	Very high	82	Confident	54 Å²	54	59.2 Å²	59.2	28%	0.283	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.2	173.3	-67	178.1	0	0	0	109.2	A155 V156 T164 F168	A155-L672 VanDerWaalsContact CA-O 3.22Å; A155-L672 WeakPolarHBondContact CA-O 3.48Å; V156-L672 PolarHBondContact N-O 2.85Å; V156-L672 PolarHBondContact O-N 3.17Å; T164-L672 HydrophobicContact CG2-CB 3.99Å; T164-L672 HydrophobicContact CG2-CD1 4.08Å; T164-L672 HydrophobicContact CG2-CG 3.75Å; F168-L672 HydrophobicContact CB-CB 4.47Å; F168-L672 HydrophobicContact CB-CD1 3.94Å; F168-L672 HydrophobicContact CD2-CB 3.57Å; F168-L672 HydrophobicContact CD2-CD1 4.34Å; F168-L672 HydrophobicContact CE2-CB 3.9Å; F168-L672 HydrophobicContact CG-CB 4.13Å; F168-L672 HydrophobicContact CG-CD1 4.04Å
673	T	91.1	Very high	81.1	Confident	46 Å²	46	58.6 Å²	58.6	28%	0.282	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.7	178.7	-59.8	0	0	0	0	108.9	G154 I658 I659 G660 S675	G154-T673 CarbonylContact O-C 3.5Å; G154-T673 WeakPolarHBondContact O-CA 3.14Å; I658-T673 WeakPolarHBondContact O-CG2 3.47Å; I659-T673 HydrophobicContact CG2-CG2 4.44Å; G660-T673 PolarHBondContact N-OG1 3.37Å; T673-S675 PolarHBondContact O-N 2.93Å; T673-S675 VanDerWaalsContact O-N 3.16Å
674	M	81.9	Confident	80.1	Confident	37 Å²	37	62.5 Å²	62.5	18%	0.182	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	105.3	169.5	-57.2	-178.1	77	0	0	106.5	N152 G154 F168 L171	N152-M674 HydrophobicContact CB-CE 3.64Å; N152-M674 HydrophobicContact CB-SD 4.1Å; N152-M674 WeakPolarHBondContact O-CB 3.49Å; N152-M674 WeakPolarHBondContact O-CE 3.3Å; N152-M674 VanDerWaalsContact O-SD 3.4Å; G154-M674 PolarHBondContact O-N 3.47Å; F168-M674 HydrophobicContact CD2-CG 4.14Å; F168-M674 HydrophobicContact CE1-CG 4.24Å; F168-M674 HydrophobicContact CE2-CB 4.18Å; F168-M674 HydrophobicContact CE2-CG 3.22Å; F168-M674 HydrophobicContact CE2-SD 4.5Å; F168-M674 HydrophobicContact CZ-CB 4.17Å; F168-M674 HydrophobicContact CZ-CG 3.3Å; L171-M674 HydrophobicContact CB-SD 4.39Å
675	S	64.4	Low	79.1	Confident	85 Å²	85	61.4 Å²	61.4	59%	0.594	37%	0.373	S	S	*	.			trans	-99.4	142.7	173.5	49.3	0	0	0	0	109.5	T673 M677	T673-S675 PolarHBondContact O-N 2.93Å; T673-S675 VanDerWaalsContact O-N 3.16Å; S675-M677 VanDerWaalsContact C-N 3.29Å; S675-M677 PolarHBondContact O-N 2.77Å
676	N	47.3	Very low	78	Confident	84 Å²	84	63.1 Å²	63.1	45%	0.449	39%	0.39	S	S	.	.			trans	-64.3	96.6	160	-61.2	14.2	0	0	0	105.8	F151	F151-N676 WeakPolarHBondContact CB-OD1 3.32Å; F151-N676 HydrophobicContact CD2-CB 4.15Å; F151-N676 HydrophobicContact CG-CB 4.46Å
677	M	33.4	Very low	76.8	Confident	153 Å²	153	67.8 Å²	67.8	75%	0.754	42%	0.418	S	S	*	.			trans	-84.2	120.1	155.5	-78.8	-132.3	-82.3	0	0	106.8	S675	S675-M677 VanDerWaalsContact C-N 3.29Å; S675-M677 PolarHBondContact O-N 2.77Å
678	P	37	Very low	75.7	Confident	187 Å²	187	67.2 Å²	67.2	100%	1.214	40%	0.401	S	S	*	.			trans	-62.9	0	176.6	27.2	-33.8	0	0	0	112.8

Retrieved 678 of 678 residues in 1031.7 ms (Link to these results)

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