A0A096MM06_PAPAN Loading...

Vacuolar fusion protein MON1 homolog

Plays an important role in membrane trafficking through the secretory apparatus.

AlphaFold DB , UniProt , Accession A0A096MM06, Species PAPAN (Papio anubis, Olive baboon), Gene MON1A, Length 652 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	29.8	Very low	28.9	Very low	248 Å²	248	134.1 Å²	134.1	100%	1.222	87%	0.866	S	S	*	*				0	160.8	0	-75.6	173.7	166.7	0	0	108.9
2	H	26.9	Very low	28.4	Very low	189 Å²	189	142 Å²	142	88%	0.875	87%	0.866	S	S	*	*			trans	-39.9	162.5	178.7	-71.8	-29.3	0	0	0	117.6
3	S	33.2	Very low	28	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	85%	0.852	S	S	*	*			cis	-177	161.7	1.2	38.5	0	0	0	0	112.7
4	G	27.8	Very low	27.8	Very low	82 Å²	82	144.2 Å²	144.2	85%	0.845	85%	0.853	S	S	*	*			trans	81.1	154.2	155.3	0	0	0	0	0	116
5	G	27.9	Very low	27.6	Very low	76 Å²	76	145.5 Å²	145.5	78%	0.784	85%	0.853	S	S	*	*			cis	169	138.8	-3.6	0	0	0	0	0	109.1
6	G	28.3	Very low	27.3	Very low	75 Å²	75	140.6 Å²	140.6	77%	0.773	84%	0.843	S	S	*	*			trans	-70.3	170.5	174.9	0	0	0	0	0	112.4
7	P	38.2	Very low	27.3	Very low	138 Å²	138	143.3 Å²	143.3	90%	0.896	85%	0.851	S	S	*	*				-152.7	-175.3	61.1	41.4	-21.8	0	0	0	116.6
8	G	27.3	Very low	27.1	Very low	76 Å²	76	139.8 Å²	139.8	78%	0.784	85%	0.849	S	S	*	*			trans	108.2	94.7	136.7	0	0	0	0	0	120.1
9	R	27	Very low	27	Very low	248 Å²	248	139.3 Å²	139.3	94%	0.936	85%	0.851	S	S	*	*			trans	-15.2	139.6	158	-69.5	172.2	165.7	179.4	-4.9	119.2
10	A	26.1	Very low	27	Very low	106 Å²	106	141.9 Å²	141.9	88%	0.876	85%	0.853	S	S	*	*			trans	-141.3	147.1	133.8	0	0	0	0	0	110.6
11	V	25.4	Very low	27	Very low	125 Å²	125	146 Å²	146	76%	0.758	85%	0.854	S	S	*	*			trans	-108.9	142.5	-175.8	170.5	0	0	0	0	109.5	L13	V11-L13 HydrophobicContact CG1-CD1 4.15Å
12	R	23.6	Very low	26.9	Very low	229 Å²	229	140.3 Å²	140.3	86%	0.864	84%	0.835	S	S	*	*			trans	-132.4	121.5	157.3	-157.9	173	-167.4	167.4	4.4	109.7
13	L	23.2	Very low	26.7	Very low	131 Å²	131	141.4 Å²	141.4	69%	0.686	84%	0.837	S	S	*	*			trans	-75.3	143.9	166	-72.5	85.7	0	0	0	108.7	V11	V11-L13 HydrophobicContact CG1-CD1 4.15Å
14	E	24.4	Very low	26.4	Very low	184 Å²	184	145.5 Å²	145.5	86%	0.86	84%	0.841	S	S	*	*			trans	-132.4	150.8	138.7	-72.6	-158.3	163.3	0	0	109.7
15	L	25.5	Very low	26.2	Very low	164 Å²	164	145.8 Å²	145.8	86%	0.859	84%	0.835	S	S	*	*			trans	-117.5	140.5	-169.3	-89	158.5	0	0	0	110.2
16	G	22.8	Very low	26	Very low	67 Å²	67	147.7 Å²	147.7	69%	0.691	83%	0.832	S	S	*	*			trans	113.1	153.2	143.5	0	0	0	0	0	117.2
17	L	27	Very low	25.7	Very low	186 Å²	186	153.1 Å²	153.1	97%	0.974	83%	0.834	S	S	*	*			trans	68.7	110.2	174.7	-47.7	175.6	0	0	0	114.2
18	G	23.2	Very low	25.1	Very low	80 Å²	80	153.5 Å²	153.5	83%	0.825	83%	0.828	S	S	*	*			cis	125.5	92.9	6.1	0	0	0	0	0	110.1
19	C	26.1	Very low	24.9	Very low	130 Å²	130	158.4 Å²	158.4	88%	0.878	83%	0.83	S	S	*	*			trans	-147.5	129.5	170.7	-161.1	0	0	0	0	109.4
20	E	25.9	Very low	24.8	Very low	192 Å²	192	157.5 Å²	157.5	90%	0.897	83%	0.827	S	S	*	*			trans	-72.7	156.3	-167.7	-59.3	-174.8	122	0	0	113.3
21	R	27.4	Very low	24.8	Very low	229 Å²	229	159.8 Å²	159.8	86%	0.864	82%	0.823	S	S	*	*			trans	-122.8	138.1	167.5	-66.8	-175	-178.2	-175.5	1.5	109.3
22	P	27.4	Very low	25	Very low	128 Å²	128	159.9 Å²	159.9	83%	0.831	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-67	140.7	180	27.3	-34	0	0	0	111.5	K24	P22-K24 PolarHBondContact O-N 3.04Å
23	K	24.2	Very low	25.1	Very low	212 Å²	212	152.7 Å²	152.7	92%	0.922	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.2	119.9	-178.2	-62.4	173.1	-176.9	172.6	0	110.2
24	K	25	Very low	25.3	Very low	198 Å²	198	156.3 Å²	156.3	86%	0.861	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-87.4	116.5	159.6	-75.9	-169.7	174.6	-172.6	0	108.8	P22	P22-K24 PolarHBondContact O-N 3.04Å
25	A	24.1	Very low	25.5	Very low	87 Å²	87	151.2 Å²	151.2	72%	0.719	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-69	132.1	165.8	0	0	0	0	0	109.1
26	V	24.2	Very low	25.7	Very low	117 Å²	117	148 Å²	148	71%	0.709	84%	0.84	S	S	*	*			trans	-116.3	106.2	170.7	177.9	0	0	0	0	106.6	L28	V26-L28 HydrophobicContact CG1-CG 4.32Å
27	F	21.8	Very low	25.9	Very low	189 Å²	189	148 Å²	148	83%	0.829	84%	0.84	S	S	*	*			trans	-79.1	123.6	168.4	-87	-94.7	0	0	0	108.9
28	L	24.7	Very low	26.1	Very low	146 Å²	146	151.5 Å²	151.5	76%	0.764	84%	0.84	S	S	*	*			trans	-113	109.8	168.3	-79.6	166.1	0	0	0	107.5	V26	V26-L28 HydrophobicContact CG1-CG 4.32Å
29	H	23.1	Very low	26.4	Very low	178 Å²	178	152.6 Å²	152.6	82%	0.824	84%	0.841	S	S	*	*			trans	-80	135.1	167.7	-114.1	-83.5	0	0	0	109.8
30	W	24.8	Very low	26.6	Very low	229 Å²	229	157.4 Å²	157.4	87%	0.867	84%	0.841	S	S	*	*			trans	-112.8	149.3	165.5	-100.3	69.8	0	0	0	108.6
31	L	26	Very low	26.7	Very low	154 Å²	154	152.3 Å²	152.3	81%	0.806	83%	0.826	S	S	*	*			trans	-117	146.3	165.2	-80.9	166.5	0	0	0	108.9
32	P	30.6	Very low	27.1	Very low	128 Å²	128	149.9 Å²	149.9	83%	0.831	83%	0.829	S	S	*	*			trans	-84.6	143.9	-176.3	34	-33.9	0	0	0	112.1
33	G	26.3	Very low	27.7	Very low	78 Å²	78	155.4 Å²	155.4	80%	0.804	83%	0.833	S	S	*	*			trans	-168.8	138.1	174.9	0	0	0	0	0	110.4
34	E	27.6	Very low	28.6	Very low	207 Å²	207	149.2 Å²	149.2	97%	0.967	82%	0.816	S	S	*	*			trans	-88.4	169.6	-160.6	-57.8	176.4	115.1	0	0	114.8
35	G	27	Very low	29	Very low	76 Å²	76	143.3 Å²	143.3	78%	0.784	81%	0.811	S	S	*	*			trans	103.1	109.7	160.7	0	0	0	0	0	115.6	G37	G35-G37 PolarHBondContact O-N 2.85Å
36	G	30.2	Very low	29.4	Very low	97 Å²	97	146.7 Å²	146.7	100%	1	81%	0.811	S	S	*	*			trans	-73.6	109.4	179.2	0	0	0	0	0	113.8
37	G	28.2	Very low	29.8	Very low	66 Å²	66	147.3 Å²	147.3	68%	0.68	82%	0.815	S	S	*	*			trans	-152.8	140.2	170.7	0	0	0	0	0	111.6	G35 A39	G35-G37 PolarHBondContact O-N 2.85Å; G37-A39 PolarHBondContact O-N 3Å; G37-A39 VanDerWaalsContact O-N 3.1Å
38	R	31.4	Very low	30	Very low	261 Å²	261	143.8 Å²	143.8	99%	0.985	81%	0.812	S	S	*	*			trans	-74.5	100.2	-174.3	-60.6	-177.9	-167.3	-173.9	5	111.7
39	A	28.5	Very low	30.2	Very low	102 Å²	102	143.4 Å²	143.4	84%	0.843	82%	0.816	S	S	*	*			trans	-87.2	138.9	172.8	0	0	0	0	0	112.8	G37	G37-A39 PolarHBondContact O-N 3Å; G37-A39 VanDerWaalsContact O-N 3.1Å
40	R	30.1	Very low	30.3	Very low	231 Å²	231	146.5 Å²	146.5	87%	0.872	82%	0.821	S	S	*	*			trans	-93.7	142.4	170.5	-70	-176.1	179.6	-169.4	0.9	110.4	L42	R40-L42 PolarHBondContact O-N 3.05Å
41	C	28.4	Very low	30.2	Very low	86 Å²	86	147.3 Å²	147.3	58%	0.581	82%	0.823	S	S	*	*			trans	-79.1	109.2	171.6	-174.1	0	0	0	0	111.3	R43	C41-R43 PolarHBondContact O-N 3.11Å
42	L	35.5	Very low	30.4	Very low	177 Å²	177	143.1 Å²	143.1	93%	0.927	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	14.7	-179.1	-83.6	164.1	0	0	0	115.4	R40	R40-L42 PolarHBondContact O-N 3.05Å
43	R	39.2	Very low	30.3	Very low	245 Å²	245	143.2 Å²	143.2	93%	0.925	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	-3.6	177.7	-87.5	-168.8	179.8	-164.4	2.4	116.9	C41	C41-R43 PolarHBondContact O-N 3.11Å
44	C	44.7	Very low	30.4	Very low	82 Å²	82	142.8 Å²	142.8	55%	0.554	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.5	-4.6	-179	65.2	0	0	0	0	117.6	H46	C44-H46 PolarHBondContact O-N 3.23Å
45	G	32.8	Very low	30.5	Very low	73 Å²	73	139 Å²	139	75%	0.753	81%	0.806	S	S	*	*			trans	65.3	-4.9	168	0	0	0	0	0	117.9
46	H	33.4	Very low	30.5	Very low	159 Å²	159	146.7 Å²	146.7	74%	0.736	81%	0.812	S	S	*	*			trans	-79.7	130.6	-178	-98.1	-87.7	0	0	0	113	C44	C44-H46 PolarHBondContact O-N 3.23Å
47	V	30.6	Very low	30.3	Very low	129 Å²	129	151.1 Å²	151.1	78%	0.782	81%	0.807	S	S	*	*			trans	-103.8	118.8	167.1	178.5	0	0	0	0	108.3
48	C	28	Very low	30.2	Very low	115 Å²	115	152.5 Å²	152.5	78%	0.777	81%	0.812	S	S	*	*			trans	-118.8	120.1	176.5	-73.6	0	0	0	0	110.8
49	V	27.8	Very low	30	Very low	138 Å²	138	147 Å²	147	84%	0.836	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-84.4	129.5	176.9	179.1	0	0	0	0	109.6
50	R	24.3	Very low	30.3	Very low	244 Å²	244	147.3 Å²	147.3	92%	0.921	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-82.6	118.6	177.9	-136.1	-178.1	-170.4	-168.9	3.5	110
51	R	24.4	Very low	30.2	Very low	246 Å²	246	142.3 Å²	142.3	93%	0.928	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-81	117.7	156.7	-88.2	-173.8	171.9	-176.8	-2.5	107.9
52	G	29.4	Very low	30.1	Very low	65 Å²	65	142.1 Å²	142.1	67%	0.67	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-89.8	150.3	171.7	0	0	0	0	0	111.8
53	P	29.4	Very low	29.7	Very low	130 Å²	130	145.8 Å²	145.8	84%	0.844	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-71.8	147	159.1	-5.1	22.6	0	0	0	110.1
54	G	27.6	Very low	29.1	Very low	69 Å²	69	139.1 Å²	139.1	71%	0.711	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-72	172.2	174.1	0	0	0	0	0	113.8
55	P	29.5	Very low	28.2	Very low	127 Å²	127	144 Å²	144	83%	0.825	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-81.8	157.4	-166.4	33.8	-36.6	0	0	0	113.6
56	R	27.1	Very low	28.8	Very low	238 Å²	238	144.6 Å²	144.6	90%	0.898	82%	0.817	S	S	*	*			trans	-131.6	113.4	153.2	-81.3	-169.6	169.8	-177.3	-4.8	110.1
57	E	26.3	Very low	28.4	Very low	191 Å²	191	143.8 Å²	143.8	89%	0.893	82%	0.818	S	S	*	*			trans	29.2	129.4	148.7	-66.7	165.2	151.9	0	0	120.4
58	A	25.4	Very low	28.3	Very low	95 Å²	95	143.4 Å²	143.4	79%	0.785	82%	0.816	S	S	*	*			trans	-102.7	157.5	165.2	0	0	0	0	0	110.5
59	V	27.1	Very low	28.3	Very low	145 Å²	145	145.8 Å²	145.8	88%	0.879	82%	0.82	S	S	*	*			trans	-167.7	150.9	145.8	134.5	0	0	0	0	108.3
60	P	35.9	Very low	28.1	Very low	109 Å²	109	145.1 Å²	145.1	71%	0.708	82%	0.817	S	S	*	*			trans	-131.7	-163.9	-139.1	44.1	-29.4	0	0	0	115.6
61	S	27.3	Very low	29	Very low	125 Å²	125	138.8 Å²	138.8	87%	0.874	81%	0.807	S	S	*	*			trans	102.9	143.3	148.5	79.7	0	0	0	0	118.7
62	G	26.6	Very low	29.9	Very low	82 Å²	82	132.8 Å²	132.8	85%	0.845	80%	0.8	S	S	*	*			trans	150.4	67.1	-178.5	0	0	0	0	0	113.7
63	R	27.3	Very low	29.7	Very low	255 Å²	255	133 Å²	133	96%	0.962	80%	0.802	S	S	*	*			trans	-85.2	135.9	169.5	-90.2	-177.7	170.5	177.4	-3.9	110.3
64	A	26	Very low	29.5	Very low	104 Å²	104	134.3 Å²	134.3	86%	0.86	80%	0.801	S	S	*	*			trans	-157.9	138.3	142.4	0	0	0	0	0	110.9
65	Q	25.6	Very low	29.4	Very low	185 Å²	185	140.5 Å²	140.5	86%	0.864	80%	0.803	S	S	*	*			trans	-122.8	-178.4	172.5	-115	-173	-50.3	0	0	105.9
66	P	45.1	Very low	29.2	Very low	85 Å²	85	140.6 Å²	140.6	55%	0.552	79%	0.793	S	S	*	*			cis	-136.3	-169.9	-28.2	36.2	-16.5	0	0	0	112.9
67	D	26.3	Very low	29	Very low	142 Å²	142	139.8 Å²	139.8	76%	0.759	79%	0.79	S	S	*	*			trans	64.9	154.4	156.7	-49.6	-31.6	0	0	0	118.1
68	T	27.3	Very low	28.9	Very low	122 Å²	122	134.6 Å²	134.6	75%	0.748	78%	0.78	S	S	*	*			cis	-149.1	150	27.9	24.8	0	0	0	0	114.9
69	L	28	Very low	28.9	Very low	165 Å²	165	136.2 Å²	136.2	86%	0.864	78%	0.779	S	S	*	*			trans	37.8	135.5	136.7	-64.1	160.1	0	0	0	124.4
70	T	24.4	Very low	28.7	Very low	124 Å²	124	135.7 Å²	135.7	76%	0.761	78%	0.777	S	S	*	*			trans	-68.7	-174.4	165.6	28.6	0	0	0	0	115.3
71	P	42	Very low	28.1	Very low	110 Å²	110	133.9 Å²	133.9	71%	0.714	78%	0.778	S	S	*	*			cis	-133.4	-133.4	-36.4	39.2	-18	0	0	0	109.5
72	P	45.2	Very low	28	Very low	120 Å²	120	133.9 Å²	133.9	78%	0.779	77%	0.773	S	S	*	*			cis	-130.1	170.7	-34.9	37.5	-20.9	0	0	0	116.1
73	G	24.5	Very low	27.8	Very low	70 Å²	70	139 Å²	139	72%	0.722	77%	0.772	S	S	*	*			trans	90.1	168.7	154.7	0	0	0	0	0	117.7
74	L	25.3	Very low	27.6	Very low	157 Å²	157	132 Å²	132	82%	0.822	76%	0.761	S	S	*	*			cis	-170.4	153	-13.8	-123.4	170.2	0	0	0	108.7
75	W	25.3	Very low	27.6	Very low	200 Å²	200	131.2 Å²	131.2	76%	0.758	76%	0.755	S	S	*	*			trans	78.5	111.1	167.8	-71.1	65.4	0	0	0	122.9
76	Q	24.3	Very low	27.5	Very low	129 Å²	129	127.2 Å²	127.2	60%	0.603	75%	0.747	S	S	*	*				73.3	127.5	122	-68.2	-157.6	-3	0	0	126
77	R	24.5	Very low	26.4	Very low	220 Å²	220	135.7 Å²	135.7	83%	0.83	77%	0.768	S	S	*	*			trans	68.2	116.1	132	-80	-176.8	162.3	176	-5.2	122.5
78	A	23.6	Very low	26.3	Very low	83 Å²	83	132.9 Å²	132.9	69%	0.686	77%	0.765	S	S	*	*				90.5	114.8	116.9	0	0	0	0	0	121.4
79	V	25.2	Very low	26.7	Very low	128 Å²	128	132.5 Å²	132.5	78%	0.776	76%	0.764	S	S	*	*			trans	48.7	113.2	133.4	-161.6	0	0	0	0	119.2
80	T	23.5	Very low	26.5	Very low	135 Å²	135	130.8 Å²	130.8	83%	0.828	76%	0.755	S	S	*	*				164.4	129.6	118.1	35	0	0	0	0	112.4
81	G	22.5	Very low	26.6	Very low	71 Å²	71	135.4 Å²	135.4	73%	0.732	76%	0.759	S	S	*	*			trans	58.5	179.7	151.7	0	0	0	0	0	119.6
82	T	24.8	Very low	25.8	Very low	124 Å²	124	137.5 Å²	137.5	76%	0.761	76%	0.764	S	S	*	*			cis	-164.5	153.9	-14.1	-7.2	0	0	0	0	111
83	F	23.5	Very low	24.9	Very low	189 Å²	189	142.2 Å²	142.2	83%	0.829	77%	0.766	S	S	*	*			trans	59.4	134.7	165.9	-75.4	-101	0	0	0	119.2
84	C	22.6	Very low	24.9	Very low	110 Å²	110	150.4 Å²	150.4	74%	0.743	78%	0.775	S	S	*	*			cis	96.4	117.2	21.3	-173	0	0	0	0	115.6
85	A	25.3	Very low	25	Very low	87 Å²	87	148.7 Å²	148.7	72%	0.719	77%	0.771	S	S	*	*			trans	-176.1	108.6	146.3	0	0	0	0	0	107.8
86	S	23.7	Very low	25.1	Very low	100 Å²	100	148.1 Å²	148.1	70%	0.699	78%	0.777	S	S	*	*				76.5	115.4	62	77.1	0	0	0	0	114.8
87	W	22.4	Very low	25.1	Very low	264 Å²	264	153.5 Å²	153.5	100%	1	79%	0.792	S	S	*	*			trans	-142.5	125.8	150.8	-94.3	81.2	0	0	0	110.3
88	A	23.6	Very low	25	Very low	83 Å²	83	152.6 Å²	152.6	69%	0.686	80%	0.799	S	S	*	*			trans	-148.3	169.3	166.6	0	0	0	0	0	104.6
89	P	36.4	Very low	25.1	Very low	113 Å²	113	153.4 Å²	153.4	73%	0.734	81%	0.807	S	S	*	*			cis	-135.7	-165.6	42.1	15.9	15.1	0	0	0	112.2
90	L	23.9	Very low	25.1	Very low	130 Å²	130	152.1 Å²	152.1	68%	0.681	81%	0.809	S	S	*	*			cis	-168.4	137.8	41.7	-126.2	122.2	0	0	0	114
91	R	27.1	Very low	25.1	Very low	221 Å²	221	152.5 Å²	152.5	83%	0.834	81%	0.806	S	S	*	*			trans	50.9	151.9	146.1	-68.7	-172.2	-177.3	163.4	-2.6	121.2
92	N	24.5	Very low	25.2	Very low	153 Å²	153	155.4 Å²	155.4	82%	0.818	80%	0.802	S	S	*	*			cis	-153.9	169.7	37.2	-141.4	-2.2	0	0	0	115.9
93	R	26.4	Very low	25.1	Very low	220 Å²	220	156.3 Å²	156.3	83%	0.83	80%	0.798	S	S	*	*			trans	-107.5	160.2	-173.6	-84.1	179.7	165.6	-174.8	-3.5	115
94	R	24.7	Very low	25.1	Very low	241 Å²	241	156.5 Å²	156.5	91%	0.909	79%	0.793	S	S	*	*			trans	-177.2	110.6	135.9	-98.1	166.9	-174	-165.3	1.8	108.9
95	T	28.1	Very low	25.2	Very low	121 Å²	121	158.6 Å²	158.6	74%	0.742	79%	0.79	S	S	*	*				71.7	117.6	69.4	59.4	0	0	0	0	117.3
96	Q	27	Very low	25.1	Very low	189 Å²	189	165.3 Å²	165.3	88%	0.883	80%	0.796	S	S	*	*			trans	-94.3	151.1	168.5	-75.7	175.2	-35.9	0	0	112.6
97	R	24.8	Very low	25.1	Very low	242 Å²	242	165 Å²	165	91%	0.913	79%	0.794	S	S	*	*				160.8	131.9	128.4	-94.8	-173.5	176.7	-156.8	-0.4	111.6
98	M	22.1	Very low	25.1	Very low	200 Å²	200	156.8 Å²	156.8	99%	0.985	78%	0.777	S	S	*	*				-173.8	165.6	124.7	-106.2	-171.3	167	0	0	111
99	A	24.8	Very low	25.1	Very low	101 Å²	101	161.3 Å²	161.3	84%	0.835	78%	0.784	S	S	*	*			trans	-136.9	150	-172.6	0	0	0	0	0	111.7
100	A	25.9	Very low	24.5	Very low	101 Å²	101	161.5 Å²	161.5	84%	0.835	79%	0.787	S	S	*	*			trans	177.8	162.1	161.3	0	0	0	0	0	108.8
101	D	23.1	Very low	25.1	Very low	142 Å²	142	160.2 Å²	160.2	76%	0.759	79%	0.786	S	S	*	*			cis	-162.1	164.9	-45.5	-158.5	-8.4	0	0	0	108.1
102	M	23.9	Very low	25	Very low	132 Å²	132	157.4 Å²	157.4	65%	0.65	79%	0.788	S	S	*	*			trans	64.3	115.8	158.4	-69.4	-146.9	171.7	0	0	124
103	Q	23.9	Very low	25.1	Very low	144 Å²	144	153.7 Å²	153.7	67%	0.673	79%	0.786	S	S	*	*				71	150.7	125.6	-60.4	-177.1	12.4	0	0	119.3
104	R	23.6	Very low	24.9	Very low	193 Å²	193	149.3 Å²	149.3	73%	0.728	78%	0.784	S	S	*	*			cis	-164.3	146.8	20.5	-144.7	176.8	-170.6	-162.1	5.6	113.2
105	K	23.4	Very low	25	Very low	154 Å²	154	145.6 Å²	145.6	67%	0.67	78%	0.781	S	S	*	*			trans	57.2	125.3	146.1	-86.1	179.1	177.3	-173.2	0	121
106	R	23.3	Very low	24.9	Very low	227 Å²	227	145.9 Å²	145.9	86%	0.857	78%	0.783	S	S	*	*				66.8	143.6	96.7	-76.8	-168.5	177.2	-165.3	-1.9	114.6
107	S	23.1	Very low	25.5	Very low	94 Å²	94	141.8 Å²	141.8	66%	0.657	77%	0.773	S	S	*	*			cis	-150.9	158.3	10.4	-4.7	0	0	0	0	108.8
108	S	22.8	Very low	25.4	Very low	91 Å²	91	135 Å²	135	64%	0.636	76%	0.762	S	S	*	*				37.9	142	102	92	0	0	0	0	116.4
109	E	23.7	Very low	25.6	Very low	178 Å²	178	133.4 Å²	133.4	83%	0.832	76%	0.758	S	S	*	*			cis	-159.3	162	27.3	-126.9	132.3	-112.2	0	0	111
110	C	23.5	Very low	25.6	Very low	117 Å²	117	131.3 Å²	131.3	79%	0.791	75%	0.746	S	S	*	*			trans	-78.5	170.5	158.6	-73.2	0	0	0	0	109.3
111	P	38.3	Very low	25.6	Very low	103 Å²	103	135.5 Å²	135.5	67%	0.669	75%	0.748	S	S	*	*			cis	-155.8	-168.4	36.4	45.6	-23.1	0	0	0	118.5
112	D	24.1	Very low	25.6	Very low	162 Å²	162	133.2 Å²	133.2	87%	0.866	74%	0.743	S	S	*	*			trans	62.2	145.3	150.5	-61.9	-27.5	0	0	0	121.9
113	G	25.8	Very low	25.7	Very low	76 Å²	76	133.2 Å²	133.2	78%	0.784	75%	0.75	S	S	*	*			trans	155.2	63.5	168.9	0	0	0	0	0	117.5
114	T	23.6	Very low	25.8	Very low	128 Å²	128	135.8 Å²	135.8	79%	0.785	76%	0.762	S	S	*	*			trans	-39.4	154.8	168.6	-36.3	0	0	0	0	116.9
115	L	27	Very low	25.9	Very low	162 Å²	162	137.9 Å²	137.9	85%	0.848	77%	0.77	S	S	*	*			trans	114.3	129.7	150.8	-59.4	172.1	0	0	0	118.5
116	T	25.2	Very low	25.9	Very low	128 Å²	128	135 Å²	135	79%	0.785	78%	0.775	S	S	*	*			trans	-92.8	-174.8	163.1	59.2	0	0	0	0	109.2
117	P	38.6	Very low	26	Very low	103 Å²	103	133.3 Å²	133.3	67%	0.669	78%	0.777	S	S	*	*			cis	-138.2	-173.6	-3.3	42.9	-24.9	0	0	0	116
118	S	24.5	Very low	26.2	Very low	99 Å²	99	134.1 Å²	134.1	69%	0.692	78%	0.783	S	S	*	*			trans	80.9	148.1	144.8	-65.1	0	0	0	0	123
119	D	25.3	Very low	26.5	Very low	166 Å²	166	136.1 Å²	136.1	89%	0.888	79%	0.793	S	S	*	*			trans	63.3	141.9	165.3	-50	-27.4	0	0	0	117.8
120	G	24.7	Very low	26.7	Very low	57 Å²	57	134.1 Å²	134.1	59%	0.588	79%	0.794	S	S	*	*			cis	156.7	135	-3.4	0	0	0	0	0	110.1
121	H	25.6	Very low	27.2	Very low	190 Å²	190	134.7 Å²	134.7	88%	0.88	80%	0.796	S	S	*	*			trans	63.8	160.6	177.7	-56.1	-100.3	0	0	0	116.3
122	S	23.6	Very low	26.5	Very low	93 Å²	93	132.6 Å²	132.6	65%	0.65	79%	0.792	S	S	*	*			cis	-170.1	144.4	-37	58.5	0	0	0	0	109.2
123	V	26.6	Very low	26.6	Very low	133 Å²	133	133.5 Å²	133.5	81%	0.806	80%	0.797	S	S	*	*			trans	64.9	111.4	162.5	-175.7	0	0	0	0	117.7
124	E	26.5	Very low	26.6	Very low	198 Å²	198	133.5 Å²	133.5	93%	0.925	79%	0.789	S	S	*	*				-150.4	153.9	118.9	-118.9	178.8	-163.6	0	0	110.2
125	R	24	Very low	26.6	Very low	237 Å²	237	136.8 Å²	136.8	89%	0.894	80%	0.795	S	S	*	*			trans	-144.2	124	-161.4	-178	-173.7	-168.3	156	3.1	111.7
126	A	24.8	Very low	26.5	Very low	94 Å²	94	132.7 Å²	132.7	78%	0.777	79%	0.792	S	S	*	*			trans	-149.2	96.8	158.9	0	0	0	0	0	107.2
127	E	24.7	Very low	26.4	Very low	190 Å²	190	135.6 Å²	135.6	89%	0.888	80%	0.799	S	S	*	*				88.7	105.8	90.5	-83.7	-168.8	175.4	0	0	113.4
128	S	27.1	Very low	25.9	Very low	112 Å²	112	138.5 Å²	138.5	78%	0.783	80%	0.804	S	S	*	*			trans	-142	136.4	160.5	51.2	0	0	0	0	108.4
129	P	29.5	Very low	26.1	Very low	133 Å²	133	140 Å²	140	86%	0.864	81%	0.811	S	S	*	*			trans	-90.3	139	-167.4	33	-34.5	0	0	0	113.8
130	T	28.7	Very low	26.1	Very low	136 Å²	136	135.4 Å²	135.4	83%	0.834	80%	0.803	S	S	*	*			trans	-134.6	141.7	153.4	-2.3	0	0	0	0	107.2
131	P	34.1	Very low	26	Very low	129 Å²	129	138.1 Å²	138.1	84%	0.838	82%	0.82	S	S	*	*				-147	176.1	97.2	34.7	-16	0	0	0	112.6
132	G	23.5	Very low	25.8	Very low	58 Å²	58	132.5 Å²	132.5	60%	0.598	81%	0.814	S	S	*	*			cis	162.1	179.1	-3.4	0	0	0	0	0	112
133	L	24.7	Very low	25.9	Very low	182 Å²	182	137.6 Å²	137.6	95%	0.953	83%	0.827	S	S	*	*			trans	85.5	146	171.5	-63.1	115	0	0	0	117.7
134	A	25.6	Very low	25.9	Very low	76 Å²	76	140.8 Å²	140.8	63%	0.628	83%	0.833	S	S	*	*			cis	-179.1	161.4	-17.9	0	0	0	0	0	108.5
135	Q	24.9	Very low	26	Very low	196 Å²	196	135.1 Å²	135.1	92%	0.916	83%	0.828	S	S	*	*			cis	-166	155.8	-19.4	-111.5	-179.3	-33	0	0	109.7
136	G	24	Very low	26	Very low	76 Å²	76	128.5 Å²	128.5	78%	0.784	82%	0.824	S	S	*	*			trans	96	150.5	154.1	0	0	0	0	0	118.3
137	M	23.5	Very low	25.9	Very low	189 Å²	189	131.1 Å²	131.1	93%	0.931	82%	0.822	S	S	*	*			cis	-160.5	136.7	-17.7	-164	157.1	-177.1	0	0	109.8
138	E	27.4	Very low	26.2	Very low	165 Å²	165	126.3 Å²	126.3	77%	0.771	80%	0.798	S	S	*	*			trans	-60.1	153.7	168.6	-83.5	-77.8	144.9	0	0	111.4
139	P	30	Very low	26.2	Very low	129 Å²	129	126.3 Å²	126.3	84%	0.838	79%	0.793	S	S	*	*				-153.1	166.3	61.8	41.1	-21.1	0	0	0	118.6
140	G	23.6	Very low	26	Very low	70 Å²	70	126.8 Å²	126.8	72%	0.722	78%	0.784	S	S	*	*			trans	174.1	71.5	162.5	0	0	0	0	0	117.3
141	A	23.1	Very low	26	Very low	114 Å²	114	124.2 Å²	124.2	94%	0.942	78%	0.777	S	S	*	*			trans	-77.1	144.2	173.6	0	0	0	0	0	113.1
142	G	22.4	Very low	25.6	Very low	72 Å²	72	126.1 Å²	126.1	74%	0.742	77%	0.767	S	S	*	*			trans	102.2	99.6	156.7	0	0	0	0	0	117
143	Q	24.7	Very low	26.1	Very low	200 Å²	200	127.9 Å²	127.9	94%	0.935	77%	0.77	S	S	*	*				-169.8	115.4	121.4	-103.9	169.1	20.1	0	0	110.8
144	E	27.6	Very low	26.7	Very low	200 Å²	200	123.9 Å²	123.9	94%	0.935	74%	0.743	S	S	*	*			trans	-73.3	149.7	161.4	-63.6	179	126.7	0	0	109.7
145	G	27.4	Very low	27	Very low	80 Å²	80	125.1 Å²	125.1	83%	0.825	74%	0.736	S	S	*	*			trans	111.8	80.7	161.2	0	0	0	0	0	116.9
146	A	24.1	Very low	27.4	Very low	97 Å²	97	120 Å²	120	80%	0.802	71%	0.714	S	S	*	*			trans	-166.2	59.2	149.8	0	0	0	0	0	111.9	F148	A146-F148 PolarHBondContact O-N 3.24Å
147	M	23.8	Very low	28.1	Very low	149 Å²	149	118.8 Å²	118.8	73%	0.734	69%	0.69	S	S	*	*			trans	-77.1	91.4	174.6	-78.6	-148.7	-63.8	0	0	112.4
148	F	30.9	Very low	28.5	Very low	90 Å²	90	114.1 Å²	114.1	40%	0.395	67%	0.672	S	S	.	*			trans	-131.1	72.2	147	-88.2	-95	0	0	0	107.7	A146 F436 S551 P649	A146-F148 PolarHBondContact O-N 3.24Å; F148-F436 AromaticContact CD1-CD1 3.99Å; F148-F436 HydrophobicContact CD1-CD1 3.99Å; F148-F436 AromaticContact CD1-CE1 3.69Å; F148-F436 HydrophobicContact CD1-CE1 3.69Å; F148-F436 AromaticContact CE1-CD1 3.63Å; F148-F436 HydrophobicContact CE1-CD1 3.63Å; F148-F436 AromaticContact CE1-CE1 3.5Å; F148-F436 HydrophobicContact CE1-CE1 3.5Å; F148-F436 VanDerWaalsContact CE1-CE1 3.5Å; F148-F436 HydrophobicContact CE2-CE1 4.48Å; F148-F436 HydrophobicContact CG-CE1 4.28Å; F148-F436 HydrophobicContact CZ-CD1 4.35Å; F148-F436 AromaticContact CZ-CE1 3.94Å; F148-F436 HydrophobicContact CZ-CE1 3.94Å; F148-S551 WeakPolarHBondContact CB-O 3.27Å; F148-P649 HydrophobicContact CZ-CG 4.07Å
149	V	27.1	Very low	28.6	Very low	111 Å²	111	114.5 Å²	114.5	67%	0.673	67%	0.674	S	S	*	*			trans	-90.9	123.4	-177.5	175.4	0	0	0	0	109.7
150	H	25.8	Very low	28.7	Very low	143 Å²	143	113.2 Å²	113.2	66%	0.662	67%	0.668	S	S	*	*			trans	59.3	84.2	171.8	-70.6	-58	0	0	0	118.5	R152	H150-R152 VanDerWaalsContact C-N 3.25Å; H150-R152 HydrophobicContact CB-CG 3.98Å; H150-R152 PolarHBondContact O-N 2.96Å
151	A	28	Very low	29.2	Very low	83 Å²	83	119.4 Å²	119.4	69%	0.686	68%	0.678	S	S	*	*				-63.2	93.3	129.7	0	0	0	0	0	108.8	S153	A151-S153 VanDerWaalsContact C-N 3.34Å; A151-S153 PolarHBondContact O-N 2.98Å
152	R	26	Very low	29.8	Very low	168 Å²	168	121.6 Å²	121.6	63%	0.634	67%	0.674	S	S	*	*			trans	-72	93.1	167.7	-73.9	-148.5	-176.5	-167.9	11.5	109.1	H150 E155	H150-R152 VanDerWaalsContact C-N 3.25Å; H150-R152 HydrophobicContact CB-CG 3.98Å; H150-R152 PolarHBondContact O-N 2.96Å; R152-E155 WeakPolarHBondContact CD-OE2 3.42Å; R152-E155 IonicContact CZ-OE2 2.85Å; R152-E155 IonicContact NE-OE2 3.63Å; R152-E155 IonicContact NH1-OE2 3.49Å; R152-E155 PolarHBondContact NH1-OE2 3.34Å
153	S	34.4	Very low	30.1	Very low	95 Å²	95	121.9 Å²	121.9	66%	0.664	68%	0.677	S	S	*	*			trans	-78.7	138.8	167	-176.9	0	0	0	0	109.7	A151 E155	A151-S153 VanDerWaalsContact C-N 3.34Å; A151-S153 PolarHBondContact O-N 2.98Å; S153-E155 PolarHBondContact O-N 3.43Å
154	Y	36.7	Very low	30.3	Very low	98 Å²	98	117.3 Å²	117.3	38%	0.384	67%	0.674	S	S	.	*	S	Bend	trans	79.9	-8.1	161.1	-159.7	-107.7	0	0	0	120	L157 Q327 A587	Y154-L157 HydrophobicContact CD2-CD1 3.61Å; Y154-L157 HydrophobicContact CE2-CD1 3.43Å; Y154-L157 VanDerWaalsContact CE2-CD1 3.43Å; Y154-Q327 HydrophobicContact CE2-CG 3.76Å; Y154-A587 HydrophobicContact CE1-CB 3.99Å
155	E	32.2	Very low	30.3	Very low	103 Å²	103	113.1 Å²	113.1	48%	0.481	67%	0.673	S	S	.	*	G	3₁₀ helix	trans	-79.7	-27.4	178.2	-69.2	-178.2	153.3	0	0	114.4	R152 S153 L157 T158	R152-E155 WeakPolarHBondContact CD-OE2 3.42Å; R152-E155 IonicContact CZ-OE2 2.85Å; R152-E155 IonicContact NE-OE2 3.63Å; R152-E155 IonicContact NH1-OE2 3.49Å; R152-E155 PolarHBondContact NH1-OE2 3.34Å; S153-E155 PolarHBondContact O-N 3.43Å; E155-L157 PolarHBondContact O-N 3.06Å; E155-T158 PolarHBondContact O-N 3.39Å; E155-T158 PolarHBondContact O-OG1 3.44Å
156	D	33.5	Very low	30.4	Very low	87 Å²	87	115 Å²	115	47%	0.465	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-62.3	8.5	176.7	-66.4	9.6	0	0	0	115.5	R311 K468	D156-R311 PolarHBondContact O-NH2 3.49Å; D156-K468 IonicContact OD2-NZ 3.31Å; D156-K468 PolarHBondContact OD2-NZ 2.78Å
157	L	37.9	Very low	30.7	Very low	52 Å²	52	114.1 Å²	114.1	27%	0.272	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-112.1	1.7	-177	-72.2	172.9	0	0	0	114.1	Y154 E155 L334	Y154-L157 HydrophobicContact CD2-CD1 3.61Å; Y154-L157 HydrophobicContact CE2-CD1 3.43Å; Y154-L157 VanDerWaalsContact CE2-CD1 3.43Å; E155-L157 PolarHBondContact O-N 3.06Å; L157-L334 HydrophobicContact CD2-CD1 3.98Å
158	T	31.8	Very low	30.9	Very low	91 Å²	91	114.8 Å²	114.8	56%	0.558	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.7	-3.7	-177.5	42.1	0	0	0	0	116.6	E155 S160	E155-T158 PolarHBondContact O-N 3.39Å; E155-T158 PolarHBondContact O-OG1 3.44Å; T158-S160 PolarHBondContact O-N 3.05Å
159	E	30.3	Very low	30.6	Very low	173 Å²	173	115.3 Å²	115.3	81%	0.808	70%	0.695	S	S	*	*			trans	-75.9	108.7	173.4	-69.1	-170.3	160.6	0	0	111
160	S	31.7	Very low	30.6	Very low	102 Å²	102	116.3 Å²	116.3	71%	0.713	70%	0.704	S	S	*	*			trans	-78.4	123.9	154.7	50	0	0	0	0	108.3	T158 D162	T158-S160 PolarHBondContact O-N 3.05Å; S160-D162 PolarHBondContact O-N 2.96Å
161	E	34.5	Very low	30.9	Very low	199 Å²	199	119.2 Å²	119.2	93%	0.93	72%	0.715	S	S	*	*			trans	-70.3	90.4	179.6	-65.2	180	127.4	0	0	111.5
162	D	34.5	Very low	30.9	Very low	161 Å²	161	124.7 Å²	124.7	86%	0.861	73%	0.726	S	S	*	*			trans	-137.9	95	166	-101.1	-38.6	0	0	0	108.3	S160	S160-D162 PolarHBondContact O-N 2.96Å
163	G	28.4	Very low	31	Very low	78 Å²	78	120.3 Å²	120.3	80%	0.804	73%	0.733	S	S	*	*			trans	-171.5	100.4	-176.8	0	0	0	0	0	113.3
164	A	30.1	Very low	30.8	Very low	104 Å²	104	121.1 Å²	121.1	86%	0.86	75%	0.746	S	S	*	*			trans	-69.3	139.9	178.6	0	0	0	0	0	112.2	S166	A164-S166 PolarHBondContact O-N 3.14Å
165	A	27.4	Very low	30.5	Very low	111 Å²	111	128 Å²	128	92%	0.917	77%	0.771	S	S	*	*			trans	-73.1	125.6	178.4	0	0	0	0	0	112.4
166	S	28.8	Very low	30.4	Very low	121 Å²	121	126 Å²	126	85%	0.846	78%	0.777	S	S	*	*			trans	-119.4	124.7	156.6	53.3	0	0	0	0	108	A164	A164-S166 PolarHBondContact O-N 3.14Å
167	G	31	Very low	30.4	Very low	78 Å²	78	127.6 Å²	127.6	80%	0.804	79%	0.793	S	S	*	*			trans	-95.4	161	-167.5	0	0	0	0	0	114.5
168	D	27.7	Very low	30.2	Very low	162 Å²	162	130.4 Å²	130.4	87%	0.866	81%	0.814	S	S	*	*			trans	-147.9	148.7	140.6	-158.3	1.3	0	0	0	109
169	S	25	Very low	30.4	Very low	102 Å²	102	132 Å²	132	71%	0.713	83%	0.826	S	S	*	*			trans	-133.9	120.4	-164.9	-65.5	0	0	0	0	113.3
170	P	26.9	Very low	31.1	Very low	131 Å²	131	129.4 Å²	129.4	85%	0.851	82%	0.817	S	S	*	*			trans	-78.1	132.8	157.2	-7.6	25.7	0	0	0	110
171	K	31.4	Very low	31.8	Very low	205 Å²	205	126.5 Å²	126.5	89%	0.891	80%	0.796	S	S	*	*			trans	-78.7	129.8	178.2	-66.3	173.2	177.2	174.6	0	111.1
172	E	28.7	Very low	32.3	Very low	198 Å²	198	121.8 Å²	121.8	93%	0.925	79%	0.791	S	S	*	*			trans	-146.7	163.3	156.4	-124.7	173.7	-167.9	0	0	112.3	A174	E172-A174 PolarHBondContact O-N 3.27Å
173	G	27.8	Very low	33.4	Very low	75 Å²	75	118 Å²	118	77%	0.773	77%	0.771	S	S	*	*			trans	-57.4	128.4	-154	0	0	0	0	0	116.8	R175	G173-R175 PolarHBondContact O-N 2.74Å
174	A	29.6	Very low	34.6	Very low	113 Å²	113	117.6 Å²	117.6	93%	0.934	75%	0.749	S	S	*	*			trans	-66	104.4	177.9	0	0	0	0	0	112.6	E172	E172-A174 PolarHBondContact O-N 3.27Å
175	R	30.9	Very low	35.8	Very low	242 Å²	242	119.7 Å²	119.7	91%	0.913	74%	0.735	S	S	*	*			trans	-115.8	113.1	150	-152.6	175.3	-145.7	-121	2.3	106.3	G173	G173-R175 PolarHBondContact O-N 2.74Å
176	G	30.4	Very low	37.4	Very low	60 Å²	60	117.7 Å²	117.7	62%	0.619	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-59.6	158.7	-177	0	0	0	0	0	112.2
177	P	34.1	Very low	38.8	Very low	121 Å²	121	112.2 Å²	112.2	79%	0.786	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-55.7	147.4	171.3	26.1	-34.2	0	0	0	109.9
178	P	34	Very low	40	Very low	111 Å²	111	109.3 Å²	109.3	72%	0.721	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-58.4	142.7	176.4	26.1	-34	0	0	0	109.9	L180	P178-L180 PolarHBondContact O-N 2.92Å
179	P	36	Very low	41.7	Very low	126 Å²	126	105.4 Å²	105.4	82%	0.818	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-61.2	129.7	178.5	25.4	-33.2	0	0	0	110
180	L	44.9	Very low	43.5	Very low	117 Å²	117	101.7 Å²	101.7	61%	0.613	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-59.6	143.4	169.8	-70.1	165.7	0	0	0	109.4	P178 A182 A347	P178-L180 PolarHBondContact O-N 2.92Å; L180-A182 PolarHBondContact O-N 2.97Å; L180-A347 HydrophobicContact CD2-CB 3.97Å
181	P	46.2	Very low	45.1	Very low	42 Å²	42	95.9 Å²	95.9	27%	0.273	55%	0.545	S	S	.	.			trans	-58	111.2	168.2	-20.8	32.5	0	0	0	109.2	D183 Q186	P181-D183 PolarHBondContact O-N 2.9Å; P181-Q186 HydrophobicContact CB-CB 4.42Å; P181-Q186 HydrophobicContact CB-CG 4.4Å
182	A	45.5	Very low	46.4	Very low	100 Å²	100	87 Å²	87	83%	0.826	51%	0.509	S	S	*	.			trans	-78.4	-5.9	-173.2	0	0	0	0	0	113.7	L180	L180-A182 PolarHBondContact O-N 2.97Å
183	D	56	Low	48.2	Very low	81 Å²	81	83 Å²	83	43%	0.433	49%	0.49	S	S	.	.			trans	-120.3	126.5	-176.8	-164.2	-18.4	0	0	0	111.4	P181 R185 Q186	P181-D183 PolarHBondContact O-N 2.9Å; D183-R185 PolarHBondContact O-N 3.17Å; D183-R185 WeakPolarHBondContact OD1-CB 3.45Å; D183-R185 WeakPolarHBondContact OD1-CG 3.48Å; D183-R185 PolarHBondContact OD1-N 3.35Å; D183-Q186 PolarHBondContact O-N 3.28Å; D183-Q186 VanDerWaalsContact O-N 3.1Å
184	M	53.6	Low	49.8	Very low	70 Å²	70	79.6 Å²	79.6	35%	0.345	45%	0.454	S	S	.	.	H	α-helix	trans	-58.6	-23	173.3	-171.4	174.2	61.5	0	0	112.1	S188	M184-S188 PolarHBondContact O-N 3.42Å; M184-S188 VanDerWaalsContact O-N 3.11Å
185	R	55.6	Low	51.2	Low	148 Å²	148	74.5 Å²	74.5	56%	0.558	41%	0.412	S	S	*	.	H	α-helix	trans	-64.8	-42.1	173	-67.4	174.6	170.1	-174.4	-4.4	112.9	D183 I187 S188 Q189	D183-R185 PolarHBondContact O-N 3.17Å; D183-R185 WeakPolarHBondContact OD1-CB 3.45Å; D183-R185 WeakPolarHBondContact OD1-CG 3.48Å; D183-R185 PolarHBondContact OD1-N 3.35Å; R185-I187 VanDerWaalsContact C-N 3.34Å; R185-I187 PolarHBondContact O-N 3.08Å; R185-S188 WeakPolarHBondContact O-CB 3.48Å; R185-S188 PolarHBondContact O-N 3.46Å; R185-Q189 WeakPolarHBondContact O-CG 3.49Å; R185-Q189 PolarHBondContact O-N 2.69Å
186	Q	61.7	Low	52.8	Low	68 Å²	68	65.4 Å²	65.4	32%	0.318	38%	0.383	S	S	.	.	H	α-helix	trans	-64.7	-42.5	178.1	-172.6	67	59.5	0	0	110.5	P181 D183 S188 Q189 D190	P181-Q186 HydrophobicContact CB-CB 4.42Å; P181-Q186 HydrophobicContact CB-CG 4.4Å; D183-Q186 PolarHBondContact O-N 3.28Å; D183-Q186 VanDerWaalsContact O-N 3.1Å; Q186-S188 VanDerWaalsContact C-N 3.27Å; Q186-S188 PolarHBondContact O-N 3.46Å; Q186-Q189 PolarHBondContact O-N 2.84Å; Q186-D190 PolarHBondContact NE2-OD1 3.37Å; Q186-D190 PolarHBondContact O-N 3.11Å
187	I	57.8	Low	54.2	Low	7 Å²	7	65.1 Å²	65.1	4%	0.036	37%	0.365	C	S	.	.	H	α-helix	trans	-58.3	-42.7	176.1	-53.2	-177.3	0	0	0	110.9	R185 Q189 F191 Q348	R185-I187 VanDerWaalsContact C-N 3.34Å; R185-I187 PolarHBondContact O-N 3.08Å; I187-Q189 VanDerWaalsContact C-N 3.34Å; I187-F191 WeakPolarHBondContact O-CB 3.24Å; I187-F191 PolarHBondContact O-N 3.12Å; I187-F191 VanDerWaalsContact O-N 3.1Å; I187-Q348 HydrophobicContact CD1-CB 4.18Å; I187-Q348 HydrophobicContact CD1-CG 3.87Å; I187-Q348 HydrophobicContact CG1-CG 4.47Å; I187-Q348 VanDerWaalsContact CG2-OE1 3.31Å
188	S	55.3	Low	55.2	Low	17 Å²	17	60 Å²	60	12%	0.119	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-35.2	176.1	-166.6	0	0	0	0	112.8	M184 R185 Q186 S192 L205	M184-S188 PolarHBondContact O-N 3.42Å; M184-S188 VanDerWaalsContact O-N 3.11Å; R185-S188 WeakPolarHBondContact O-CB 3.48Å; R185-S188 PolarHBondContact O-N 3.46Å; Q186-S188 VanDerWaalsContact C-N 3.27Å; Q186-S188 PolarHBondContact O-N 3.46Å; S188-S192 WeakPolarHBondContact O-CB 3.46Å; S188-S192 PolarHBondContact O-N 2.88Å; S188-S192 PolarHBondContact O-OG 3.2Å; S188-L205 WeakPolarHBondContact OG-CB 3.46Å; S188-L205 VanDerWaalsContact OG-CD1 3.23Å; S188-L205 WeakPolarHBondContact OG-CD1 3.48Å
189	Q	63.6	Low	56	Low	79 Å²	79	57.1 Å²	57.1	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-72.7	-49.6	178.2	-74.4	170.3	-12.4	0	0	111.4	R185 Q186 I187 F191 S192 E193	R185-Q189 WeakPolarHBondContact O-CG 3.49Å; R185-Q189 PolarHBondContact O-N 2.69Å; Q186-Q189 PolarHBondContact O-N 2.84Å; I187-Q189 VanDerWaalsContact C-N 3.34Å; Q189-F191 PolarHBondContact O-N 3.27Å; Q189-S192 PolarHBondContact O-N 3.28Å; Q189-E193 PolarHBondContact O-N 2.83Å
190	D	64	Low	56.5	Low	25 Å²	25	54.1 Å²	54.1	13%	0.134	30%	0.304	C	S	.	.	H	α-helix	trans	-53.4	-40	174.6	-59.1	-5.6	0	0	0	110.3	Q186 L194	Q186-D190 PolarHBondContact NE2-OD1 3.37Å; Q186-D190 PolarHBondContact O-N 3.11Å; D190-L194 WeakPolarHBondContact O-CG 3.42Å; D190-L194 PolarHBondContact O-N 2.78Å; D190-L194 VanDerWaalsContact O-N 3.12Å
191	F	59.8	Low	56.2	Low	9 Å²	9	52.8 Å²	52.8	4%	0.039	30%	0.3	C	S	.	.	H	α-helix	trans	-76.8	-36.3	175.9	-168.7	-93	0	0	0	114.3	I187 Q189 E193 L194 S195 L344 L364	I187-F191 WeakPolarHBondContact O-CB 3.24Å; I187-F191 PolarHBondContact O-N 3.12Å; I187-F191 VanDerWaalsContact O-N 3.1Å; Q189-F191 PolarHBondContact O-N 3.27Å; F191-E193 VanDerWaalsContact C-N 3.3Å; F191-E193 PolarHBondContact O-N 3.01Å; F191-L194 HydrophobicContact CD2-CD1 4.28Å; F191-L194 WeakPolarHBondContact O-CB 3.44Å; F191-L194 PolarHBondContact O-N 3.22Å; F191-S195 WeakPolarHBondContact O-CB 3.38Å; F191-S195 PolarHBondContact O-N 3.47Å; F191-L344 HydrophobicContact CD2-CD2 4.29Å; F191-L364 WeakPolarHBondContact CD2-O 3.39Å; F191-L364 WeakPolarHBondContact CE1-O 3.32Å; F191-L364 WeakPolarHBondContact CE2-O 3.3Å; F191-L364 WeakPolarHBondContact CZ-O 3.41Å
192	S	59.3	Low	55.8	Low	19 Å²	19	53.9 Å²	53.9	13%	0.133	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-39.5	171.8	-83.6	0	0	0	0	111.1	S188 Q189 S195 T196 R203 L205	S188-S192 WeakPolarHBondContact O-CB 3.46Å; S188-S192 PolarHBondContact O-N 2.88Å; S188-S192 PolarHBondContact O-OG 3.2Å; Q189-S192 PolarHBondContact O-N 3.28Å; S192-S195 PolarHBondContact O-N 3.46Å; S192-T196 WeakPolarHBondContact O-CB 3.4Å; S192-T196 PolarHBondContact O-N 3.43Å; S192-T196 PolarHBondContact O-OG1 3.06Å; S192-R203 PolarHBondContact OG-O 2.87Å; S192-L205 WeakPolarHBondContact OG-CD1 3.34Å
193	E	66	Low	55.6	Low	112 Å²	112	55.9 Å²	55.9	52%	0.523	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-46.9	173.1	-72.4	-178.2	-168.6	0	0	111.6	Q189 F191 T196 Q197	Q189-E193 PolarHBondContact O-N 2.83Å; F191-E193 VanDerWaalsContact C-N 3.3Å; F191-E193 PolarHBondContact O-N 3.01Å; E193-T196 PolarHBondContact O-N 3.06Å; E193-Q197 WeakPolarHBondContact O-CG 3.3Å; E193-Q197 PolarHBondContact O-N 3.48Å
194	L	62.4	Low	54.6	Low	5 Å²	5	58.2 Å²	58.2	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-55.1	-53.9	172.7	-76	175.7	0	0	0	111.8	D190 F191 T196 Q197 L198 T462 P463	D190-L194 WeakPolarHBondContact O-CG 3.42Å; D190-L194 PolarHBondContact O-N 2.78Å; D190-L194 VanDerWaalsContact O-N 3.12Å; F191-L194 HydrophobicContact CD2-CD1 4.28Å; F191-L194 WeakPolarHBondContact O-CB 3.44Å; F191-L194 PolarHBondContact O-N 3.22Å; L194-T196 VanDerWaalsContact C-N 3.26Å; L194-T196 PolarHBondContact O-N 2.67Å; L194-Q197 PolarHBondContact O-N 2.98Å; L194-Q197 VanDerWaalsContact O-N 3.16Å; L194-L198 HydrophobicContact CB-CD1 4.31Å; L194-L198 VanDerWaalsContact O-CB 3.32Å; L194-L198 WeakPolarHBondContact O-CB 3.23Å; L194-L198 WeakPolarHBondContact O-CD1 3.26Å; L194-L198 WeakPolarHBondContact O-CG 3.32Å; L194-L198 PolarHBondContact O-N 3.31Å; L194-T462 WeakPolarHBondContact CD2-OG1 3.48Å; L194-P463 HydrophobicContact CD1-CG 4.05Å; L194-P463 HydrophobicContact CD2-CG 3.89Å; L194-P463 WeakPolarHBondContact CD2-O 3.3Å; L194-P463 HydrophobicContact CG-CG 3.84Å
195	S	58.1	Low	53.9	Low	6 Å²	6	57.4 Å²	57.4	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-58.6	-39.7	-179.8	-167.2	0	0	0	0	111.5	F191 S192 L198 T199	F191-S195 WeakPolarHBondContact O-CB 3.38Å; F191-S195 PolarHBondContact O-N 3.47Å; S192-S195 PolarHBondContact O-N 3.46Å; S195-L198 PolarHBondContact O-N 2.84Å; S195-T199 WeakPolarHBondContact O-CB 3.46Å; S195-T199 WeakPolarHBondContact O-CG2 3.4Å; S195-T199 PolarHBondContact O-N 3.35Å; S195-T199 PolarHBondContact O-OG1 3.48Å
196	T	63.5	Low	53	Low	50 Å²	50	54.7 Å²	54.7	31%	0.307	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-44.9	175.9	-53.6	0	0	0	0	111.7	S192 E193 L194 G200 A202	S192-T196 WeakPolarHBondContact O-CB 3.4Å; S192-T196 PolarHBondContact O-N 3.43Å; S192-T196 PolarHBondContact O-OG1 3.06Å; E193-T196 PolarHBondContact O-N 3.06Å; L194-T196 VanDerWaalsContact C-N 3.26Å; L194-T196 PolarHBondContact O-N 2.67Å; T196-G200 VanDerWaalsContact O-CA 3.23Å; T196-G200 WeakPolarHBondContact O-CA 3.35Å; T196-G200 PolarHBondContact O-N 3.49Å; T196-A202 HydrophobicContact CG2-CB 4.3Å; T196-A202 WeakPolarHBondContact OG1-CA 3.23Å
197	Q	61.6	Low	51.9	Low	54 Å²	54	59.2 Å²	59.2	25%	0.252	32%	0.323	S	S	.	.	H	α-helix	trans	-66.4	-38.7	176.1	-68.4	-178.4	29.5	0	0	112.3	E193 L194 S454 W461	E193-Q197 WeakPolarHBondContact O-CG 3.3Å; E193-Q197 PolarHBondContact O-N 3.48Å; L194-Q197 PolarHBondContact O-N 2.98Å; L194-Q197 VanDerWaalsContact O-N 3.16Å; Q197-S454 WeakPolarHBondContact O-CB 3.35Å; Q197-S454 PolarHBondContact O-OG 2.85Å; Q197-S454 VanDerWaalsContact O-OG 3.07Å; Q197-W461 PolarHBondContact NE2-O 3.28Å; Q197-W461 PolarHBondContact OE1-O 3.3Å
198	L	54.9	Low	51	Low	15 Å²	15	65.5 Å²	65.5	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-75.7	-31.7	-176.9	-67.7	165.3	0	0	0	113.2	L194 S195 I371 L448 S452 F455	L194-L198 HydrophobicContact CB-CD1 4.31Å; L194-L198 VanDerWaalsContact O-CB 3.32Å; L194-L198 WeakPolarHBondContact O-CB 3.23Å; L194-L198 WeakPolarHBondContact O-CD1 3.26Å; L194-L198 WeakPolarHBondContact O-CG 3.32Å; L194-L198 PolarHBondContact O-N 3.31Å; S195-L198 PolarHBondContact O-N 2.84Å; L198-I371 HydrophobicContact CD1-CD1 3.81Å; L198-I371 HydrophobicContact CD2-CD1 4.03Å; L198-L448 HydrophobicContact CD2-CD1 3.85Å; L198-S452 WeakPolarHBondContact CD2-OG 3.46Å; L198-F455 HydrophobicContact CD2-CE2 4.2Å; L198-F455 HydrophobicContact CD2-CZ 3.83Å
199	T	51.2	Low	49.7	Very low	50 Å²	50	70.6 Å²	70.6	31%	0.307	38%	0.376	S	S	.	.	H	α-helix	trans	-114.7	-15.3	-173.3	69.5	0	0	0	0	114.9	S195 V201	S195-T199 WeakPolarHBondContact O-CB 3.46Å; S195-T199 WeakPolarHBondContact O-CG2 3.4Å; S195-T199 PolarHBondContact O-N 3.35Å; S195-T199 PolarHBondContact O-OG1 3.48Å; T199-V201 PolarHBondContact O-N 3.49Å; T199-V201 PolarHBondContact OG1-N 3.28Å; T199-V201 PolarHBondContact OG1-O 3.05Å
200	G	44.6	Very low	48.2	Very low	63 Å²	63	74.2 Å²	74.2	65%	0.649	40%	0.397	S	S	*	.	S	Bend	trans	76.8	4	-175.1	0	0	0	0	0	114.7	T196	T196-G200 VanDerWaalsContact O-CA 3.23Å; T196-G200 WeakPolarHBondContact O-CA 3.35Å; T196-G200 PolarHBondContact O-N 3.49Å
201	V	40.1	Very low	46.6	Very low	89 Å²	89	79.3 Å²	79.3	54%	0.539	43%	0.431	S	S	.	.			trans	-125.1	123.7	-175.3	-177.5	0	0	0	0	109.8	T199	T199-V201 PolarHBondContact O-N 3.49Å; T199-V201 PolarHBondContact OG1-N 3.28Å; T199-V201 PolarHBondContact OG1-O 3.05Å
202	A	36.3	Very low	45.2	Very low	65 Å²	65	82.4 Å²	82.4	54%	0.537	47%	0.466	S	S	.	.			trans	-69.2	132.8	173	0	0	0	0	0	110.5	T196	T196-A202 HydrophobicContact CG2-CB 4.3Å; T196-A202 WeakPolarHBondContact OG1-CA 3.23Å
203	R	41.3	Very low	43.6	Very low	142 Å²	142	86.9 Å²	86.9	54%	0.536	50%	0.497	S	S	.	.			trans	-121.7	105.2	170.9	-83.8	-175.1	152.1	-173.3	-8.6	109.5	S192 L205 S366	S192-R203 PolarHBondContact OG-O 2.87Å; R203-L205 PolarHBondContact O-N 3.22Å; R203-L205 VanDerWaalsContact O-N 3.11Å; R203-S366 PolarHBondContact NH1-OG 3.32Å
204	D	35.8	Very low	42.3	Very low	129 Å²	129	87.3 Å²	87.3	69%	0.69	51%	0.512	S	S	*	.			trans	-78.9	90.4	178.8	-72	-33.2	0	0	0	110.7	Q206	D204-Q206 PolarHBondContact O-N 3.02Å
205	L	38.9	Very low	40.7	Very low	54 Å²	54	94.9 Å²	94.9	28%	0.283	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-1.4	177.5	-72.1	170	0	0	0	114	S188 S192 R203	S188-L205 WeakPolarHBondContact OG-CB 3.46Å; S188-L205 VanDerWaalsContact OG-CD1 3.23Å; S188-L205 WeakPolarHBondContact OG-CD1 3.48Å; S192-L205 WeakPolarHBondContact OG-CD1 3.34Å; R203-L205 PolarHBondContact O-N 3.22Å; R203-L205 VanDerWaalsContact O-N 3.11Å
206	Q	37.8	Very low	39.5	Very low	91 Å²	91	102.3 Å²	102.3	43%	0.425	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79	-25.9	-177.3	-119.5	72.6	80.4	0	0	113.8	D204	D204-Q206 PolarHBondContact O-N 3.02Å
207	E	37.7	Very low	37.8	Very low	163 Å²	163	111.1 Å²	111.1	76%	0.762	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-80.7	-26.5	-176.3	-74.3	-169.1	136.6	0	0	114.3	M209	E207-M209 PolarHBondContact O-N 3.29Å
208	E	38.6	Very low	36.1	Very low	139 Å²	139	116.5 Å²	116.5	65%	0.65	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-71.5	9.1	179.3	-76	-150.3	167.1	0	0	115.2	R363	E208-R363 IonicContact OE2-CZ 2.8Å; E208-R363 IonicContact OE2-NH2 2.72Å; E208-R363 PolarHBondContact OE2-NH2 2.88Å
209	M	28.9	Very low	34.8	Very low	123 Å²	123	123.3 Å²	123.3	61%	0.606	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-95.4	2.9	-179.5	-72.3	-161	65.7	0	0	115	E207	E207-M209 PolarHBondContact O-N 3.29Å
210	L	32	Very low	33.7	Very low	155 Å²	155	126.4 Å²	126.4	81%	0.812	70%	0.702	S	S	*	*	S	Bend	trans	-103.1	129	177.1	-73.7	167.4	0	0	0	112.1	G212	L210-G212 PolarHBondContact O-N 3.23Å
211	P	29.6	Very low	33	Very low	132 Å²	132	129.9 Å²	129.9	86%	0.857	71%	0.713	S	S	*	*			trans	-82.5	96.7	179.1	32.3	-33	0	0	0	111.8
212	G	31.3	Very low	32.6	Very low	75 Å²	75	129.6 Å²	129.6	77%	0.773	73%	0.728	S	S	*	*			trans	94	102	152.3	0	0	0	0	0	117.8	L210	L210-G212 PolarHBondContact O-N 3.23Å
213	S	25.1	Very low	32.1	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	74%	0.742	S	S	*	*			trans	-152.8	126.4	140	52.8	0	0	0	0	109.1
214	S	38.8	Very low	31.7	Very low	120 Å²	120	132 Å²	132	84%	0.839	76%	0.762	S	S	*	*			trans	-85.7	112.5	179.1	50.6	0	0	0	0	110.9
215	E	29.3	Very low	31.3	Very low	164 Å²	164	129 Å²	129	77%	0.766	76%	0.761	S	S	*	*			trans	-139.7	131.5	165	-67.1	-165.7	129.1	0	0	110.5
216	D	32.5	Very low	31	Very low	163 Å²	163	137.5 Å²	137.5	87%	0.872	79%	0.79	S	S	*	*			trans	-65.3	137.5	177.1	-70.4	-59.2	0	0	0	111.3
217	W	27.6	Very low	30.6	Very low	235 Å²	235	139.3 Å²	139.3	89%	0.89	81%	0.809	S	S	*	*			trans	-127.2	128.6	165.5	-77.2	98.4	0	0	0	111.6
218	L	25.6	Very low	30.3	Very low	166 Å²	166	136 Å²	136	87%	0.869	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77.7	141.9	-178.4	-69.3	148.3	0	0	0	111.1
219	D	27.1	Very low	30.2	Very low	159 Å²	159	135.8 Å²	135.8	85%	0.85	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-60.4	133.9	176.8	-77.1	-54.5	0	0	0	113.1
220	P	29.6	Very low	30.5	Very low	115 Å²	115	138.5 Å²	138.5	75%	0.747	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-79.8	141.6	164.9	32.4	-32.2	0	0	0	111.1
221	P	30.1	Very low	30.6	Very low	135 Å²	135	136 Å²	136	88%	0.877	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84.9	135.4	-173.8	32.4	-34.5	0	0	0	113.3
222	G	31	Very low	30.9	Very low	83 Å²	83	136 Å²	136	86%	0.856	82%	0.822	S	S	*	*			trans	113.6	82.3	152.4	0	0	0	0	0	117.2
223	A	25.9	Very low	31.3	Very low	102 Å²	102	143.4 Å²	143.4	84%	0.843	83%	0.827	S	S	*	*			trans	-130.5	140.4	153.8	0	0	0	0	0	109.6	G225	A223-G225 PolarHBondContact O-N 3.32Å
224	V	31.6	Very low	31.9	Very low	155 Å²	155	147.9 Å²	147.9	94%	0.939	84%	0.835	S	S	*	*			trans	-82.7	116.9	-157.9	177.4	0	0	0	0	113.6
225	G	27.6	Very low	31.9	Very low	66 Å²	66	145.4 Å²	145.4	68%	0.68	83%	0.829	S	S	*	*			trans	33.6	107.7	143.2	0	0	0	0	0	120.7	A223	A223-G225 PolarHBondContact O-N 3.32Å
226	R	33.5	Very low	32.3	Very low	234 Å²	234	142.6 Å²	142.6	88%	0.883	82%	0.823	S	S	*	*			trans	-65.1	149.3	145.1	-73.1	177.1	170.1	174.4	-4	109.6	A228	R226-A228 PolarHBondContact O-N 3.46Å
227	P	29.8	Very low	33.2	Very low	129 Å²	129	138.4 Å²	138.4	84%	0.838	81%	0.811	S	S	*	*			trans	-69.4	102.4	169.3	28.8	-32.5	0	0	0	109.9
228	A	30.6	Very low	34.3	Very low	93 Å²	93	135.6 Å²	135.6	77%	0.769	81%	0.808	S	S	*	*			trans	-75.3	129.9	174.8	0	0	0	0	0	110.6	R226	R226-A228 PolarHBondContact O-N 3.46Å
229	T	36.7	Very low	35.4	Very low	135 Å²	135	129.2 Å²	129.2	83%	0.828	78%	0.782	S	S	*	*			trans	-129.6	69.7	165.1	-49.9	0	0	0	0	109
230	E	35.1	Very low	36.9	Very low	180 Å²	180	126.3 Å²	126.3	84%	0.841	77%	0.767	S	S	*	*			trans	-162.1	137.6	164.8	-114.4	156.2	-140.6	0	0	109.9
231	P	34.7	Very low	38.5	Very low	103 Å²	103	127.8 Å²	127.8	67%	0.669	76%	0.764	S	S	*	*			trans	-86.3	144.7	176.3	34.4	-32.4	0	0	0	111
232	P	36.1	Very low	40.1	Very low	131 Å²	131	128.2 Å²	128.2	85%	0.851	75%	0.754	S	S	*	*			trans	-69.7	139.1	178.7	29.7	-34.5	0	0	0	111.2
233	R	38.2	Very low	41.8	Very low	231 Å²	231	129.6 Å²	129.6	87%	0.872	74%	0.742	S	S	*	*			trans	-133.8	130.6	167.5	-75	-174.4	169.2	173.2	-2.2	109.8
234	E	38.3	Very low	44.1	Very low	206 Å²	206	127.6 Å²	127.6	96%	0.963	73%	0.725	S	S	*	*			trans	-82.7	121.4	174.3	-66.6	175.8	132.2	0	0	110.1
235	G	39.7	Very low	46.3	Very low	69 Å²	69	123.2 Å²	123.2	71%	0.711	70%	0.699	S	S	*	*			trans	95	99	156.6	0	0	0	0	0	118.4
236	T	37.7	Very low	48.8	Very low	105 Å²	105	125.7 Å²	125.7	64%	0.644	69%	0.693	S	S	*	*				-174	93.3	106	32.7	0	0	0	0	110.7	E238 G239	T236-E238 VanDerWaalsContact C-N 3.28Å; T236-E238 PolarHBondContact O-N 3.18Å; T236-G239 PolarHBondContact O-N 2.7Å; T236-G239 VanDerWaalsContact O-N 3.11Å
237	A	51.8	Low	51.4	Low	75 Å²	75	117 Å²	117	62%	0.62	67%	0.671	S	S	*	*	H	α-helix	trans	-57.6	-27.4	-166.7	0	0	0	0	0	116.5
238	E	49.2	Very low	54.3	Low	175 Å²	175	113.5 Å²	113.5	82%	0.818	64%	0.641	S	S	*	*	H	α-helix	trans	-75.3	-28.4	-180	-64.7	-177.5	156.6	0	0	113.3	T236	T236-E238 VanDerWaalsContact C-N 3.28Å; T236-E238 PolarHBondContact O-N 3.18Å
239	G	48.8	Very low	57	Low	32 Å²	32	115.9 Å²	115.9	33%	0.33	63%	0.63	S	S	.	*	H	α-helix	trans	-78.7	-40.6	176.4	0	0	0	0	0	112.4	T236 E241 E242 D243	T236-G239 PolarHBondContact O-N 2.7Å; T236-G239 VanDerWaalsContact O-N 3.11Å; G239-E241 VanDerWaalsContact C-N 3.29Å; G239-E241 PolarHBondContact O-N 2.88Å; G239-E242 PolarHBondContact O-N 2.96Å; G239-D243 PolarHBondContact O-N 2.97Å
240	D	59.6	Low	59.6	Low	99 Å²	99	115.7 Å²	115.7	53%	0.529	62%	0.623	S	S	.	*	H	α-helix	trans	-63.6	-33.2	-177.6	-60.2	-40.3	0	0	0	112.1	A244	D240-A244 WeakPolarHBondContact O-CB 3.47Å; D240-A244 PolarHBondContact O-N 3.1Å
241	E	62.3	Low	62.3	Low	145 Å²	145	110.4 Å²	110.4	68%	0.678	60%	0.598	S	S	*	*	H	α-helix	trans	-73.8	-37.3	176.4	-73.3	-169.4	171.9	0	0	113.5	G239 T245	G239-E241 VanDerWaalsContact C-N 3.29Å; G239-E241 PolarHBondContact O-N 2.88Å; E241-T245 WeakPolarHBondContact O-CB 3.43Å; E241-T245 PolarHBondContact O-N 3.11Å; E241-T245 PolarHBondContact O-OG1 2.82Å
242	E	63.5	Low	65	Low	145 Å²	145	111.2 Å²	111.2	68%	0.678	59%	0.593	S	S	*	*	H	α-helix	trans	-68.1	-45.8	174.8	-70.3	-161.7	148.3	0	0	110.9	G239 A244 T245 E246	G239-E242 PolarHBondContact O-N 2.96Å; E242-A244 PolarHBondContact O-N 3.07Å; E242-T245 CarbonylContact O-C 3.59Å; E242-T245 WeakPolarHBondContact O-CA 3.38Å; E242-T245 WeakPolarHBondContact O-CB 3.5Å; E242-T245 PolarHBondContact O-N 2.91Å; E242-T245 VanDerWaalsContact O-N 3.1Å; E242-E246 WeakPolarHBondContact O-CG 3.48Å; E242-E246 PolarHBondContact O-N 3.16Å
243	D	67.4	Low	67.8	Low	112 Å²	112	105.5 Å²	105.5	60%	0.599	56%	0.555	S	S	*	*	H	α-helix	trans	-62.4	-41.2	176.6	-82.2	-14.2	0	0	0	111.8	G239 T245 E246 A247	G239-D243 PolarHBondContact O-N 2.97Å; D243-T245 VanDerWaalsContact C-N 3.3Å; D243-T245 PolarHBondContact O-N 3.43Å; D243-E246 PolarHBondContact O-N 3.16Å; D243-A247 WeakPolarHBondContact O-CB 3.17Å; D243-A247 PolarHBondContact O-N 2.89Å
244	A	73	Confident	70.6	Confident	59 Å²	59	95 Å²	95	49%	0.488	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-35.9	173.3	0	0	0	0	0	112.4	D240 E242 W248	D240-A244 WeakPolarHBondContact O-CB 3.47Å; D240-A244 PolarHBondContact O-N 3.1Å; E242-A244 PolarHBondContact O-N 3.07Å; A244-W248 WeakPolarHBondContact O-CB 3.48Å; A244-W248 PolarHBondContact O-N 2.78Å
245	T	78.1	Confident	73.4	Confident	63 Å²	63	85.2 Å²	85.2	39%	0.387	47%	0.47	S	S	.	.	H	α-helix	trans	-70.8	-37.7	176.4	-59.8	0	0	0	0	111.7	E241 E242 D243 R249	E241-T245 WeakPolarHBondContact O-CB 3.43Å; E241-T245 PolarHBondContact O-N 3.11Å; E241-T245 PolarHBondContact O-OG1 2.82Å; E242-T245 CarbonylContact O-C 3.59Å; E242-T245 WeakPolarHBondContact O-CA 3.38Å; E242-T245 WeakPolarHBondContact O-CB 3.5Å; E242-T245 PolarHBondContact O-N 2.91Å; E242-T245 VanDerWaalsContact O-N 3.1Å; D243-T245 VanDerWaalsContact C-N 3.3Å; D243-T245 PolarHBondContact O-N 3.43Å; T245-R249 WeakPolarHBondContact O-CG 3.36Å; T245-R249 PolarHBondContact O-N 2.88Å
246	E	81.5	Confident	76.1	Confident	118 Å²	118	82.1 Å²	82.1	55%	0.551	44%	0.437	S	S	*	.	H	α-helix	trans	-64.6	-49.2	171.4	-67.9	-119.1	124.3	0	0	111.1	E242 D243 W248 R249 L250	E242-E246 WeakPolarHBondContact O-CG 3.48Å; E242-E246 PolarHBondContact O-N 3.16Å; D243-E246 PolarHBondContact O-N 3.16Å; E246-W248 VanDerWaalsContact C-N 3.27Å; E246-W248 PolarHBondContact O-N 2.82Å; E246-R249 WeakPolarHBondContact O-CB 3.49Å; E246-R249 PolarHBondContact O-N 3.49Å; E246-L250 WeakPolarHBondContact O-CG 3.49Å; E246-L250 PolarHBondContact O-N 3.12Å; E246-L250 VanDerWaalsContact O-N 3.11Å
247	A	87.1	Confident	78.9	Confident	51 Å²	51	77.1 Å²	77.1	42%	0.421	41%	0.406	S	S	.	.	H	α-helix	trans	-57.3	-39.2	176.4	0	0	0	0	0	112.2	D243 L250 H251	D243-A247 WeakPolarHBondContact O-CB 3.17Å; D243-A247 PolarHBondContact O-N 2.89Å; A247-L250 PolarHBondContact O-N 3.21Å; A247-H251 PolarHBondContact O-CE1 3.24Å; A247-H251 PolarHBondContact O-ND1 3.47Å; A247-H251 VanDerWaalsContact O-ND1 3.1Å
248	W	90.4	Very high	81	Confident	57 Å²	57	73.5 Å²	73.5	22%	0.216	38%	0.377	C	S	.	.	H	α-helix	trans	-57.8	-51.3	171.5	-177.2	89.1	0	0	0	111.2	A244 E246 L250 H251 H254 F256 Y269 L275	A244-W248 WeakPolarHBondContact O-CB 3.48Å; A244-W248 PolarHBondContact O-N 2.78Å; E246-W248 VanDerWaalsContact C-N 3.27Å; E246-W248 PolarHBondContact O-N 2.82Å; W248-L250 PolarHBondContact O-N 2.91Å; W248-L250 VanDerWaalsContact O-N 3.16Å; W248-H251 PolarHBondContact O-N 3.3Å; W248-H251 PolarHBondContact O-ND1 3.21Å; W248-H254 AromaticContact CD2-CE1 3.5Å; W248-H254 AromaticContact CE2-CE1 3.37Å; W248-H254 AromaticContact CE2-ND1 3.46Å; W248-H254 AromaticContact CE3-CE1 3.86Å; W248-H254 AromaticContact CH2-CE1 3.99Å; W248-H254 AromaticContact CZ2-CE1 3.64Å; W248-H254 AromaticContact CZ2-ND1 3.44Å; W248-H254 WeakPolarHBondContact CZ2-ND1 3.29Å; W248-H254 AromaticContact NE1-CE1 3.78Å; W248-H254 AromaticContact NE1-ND1 3.75Å; W248-H254 PolarHBondContact O-CE1 3.01Å; W248-H254 PolarHBondContact O-NE2 3.45Å; W248-F256 HydrophobicContact CH2-CZ 4.11Å; W248-F256 HydrophobicContact CZ2-CE1 4.01Å; W248-F256 AromaticContact CZ2-CZ 3.84Å; W248-F256 HydrophobicContact CZ2-CZ 3.84Å; W248-Y269 VanDerWaalsContact NE1-C 3.34Å; W248-Y269 PolarHBondContact NE1-O 2.9Å; W248-L275 HydrophobicContact CH2-CD2 3.88Å; W248-L275 HydrophobicContact CZ2-CD1 3.9Å; W248-L275 HydrophobicContact CZ2-CD2 3.46Å; W248-L275 VanDerWaalsContact CZ2-CD2 3.46Å; W248-L275 HydrophobicContact CZ2-CG 4.36Å
249	R	88.3	Confident	83.1	Confident	142 Å²	142	65.2 Å²	65.2	54%	0.536	34%	0.338	S	S	.	.	H	α-helix	trans	-63.1	-20	-179.7	-66.9	170.8	-174	164.4	4.8	114.6	T245 E246 H251	T245-R249 WeakPolarHBondContact O-CG 3.36Å; T245-R249 PolarHBondContact O-N 2.88Å; E246-R249 WeakPolarHBondContact O-CB 3.49Å; E246-R249 PolarHBondContact O-N 3.49Å; R249-H251 VanDerWaalsContact C-N 3.3Å
250	L	89.9	Confident	85	Confident	131 Å²	131	67 Å²	67	69%	0.686	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.7	178.2	-71	175.4	0	0	0	113.7	E246 A247 W248 Q252	E246-L250 WeakPolarHBondContact O-CG 3.49Å; E246-L250 PolarHBondContact O-N 3.12Å; E246-L250 VanDerWaalsContact O-N 3.11Å; A247-L250 PolarHBondContact O-N 3.21Å; W248-L250 PolarHBondContact O-N 2.91Å; W248-L250 VanDerWaalsContact O-N 3.16Å; L250-Q252 PolarHBondContact O-N 3.31Å
251	H	92.4	Very high	86.3	Confident	69 Å²	69	64.8 Å²	64.8	32%	0.319	33%	0.333	S	S	.	.			trans	-62.1	131.2	178	-70	82.2	0	0	0	111.8	A247 W248 R249 K253 Y269	A247-H251 PolarHBondContact O-CE1 3.24Å; A247-H251 PolarHBondContact O-ND1 3.47Å; A247-H251 VanDerWaalsContact O-ND1 3.1Å; W248-H251 PolarHBondContact O-N 3.3Å; W248-H251 PolarHBondContact O-ND1 3.21Å; R249-H251 VanDerWaalsContact C-N 3.3Å; H251-K253 VanDerWaalsContact C-N 3.27Å; H251-K253 PolarHBondContact O-N 2.98Å; H251-Y269 HydrophobicContact CB-CD2 3.87Å; H251-Y269 HydrophobicContact CB-CE2 3.81Å; H251-Y269 AromaticContact CD2-CD1 3.78Å; H251-Y269 AromaticContact CD2-CD2 3.65Å; H251-Y269 AromaticContact CD2-CE1 3.55Å; H251-Y269 AromaticContact CD2-CE2 3.4Å; H251-Y269 VanDerWaalsContact CD2-CE2 3.4Å; H251-Y269 WeakPolarHBondContact CD2-CE2 3.39Å; H251-Y269 AromaticContact CD2-CG 3.84Å; H251-Y269 AromaticContact CD2-CZ 3.35Å; H251-Y269 AromaticContact CG-CD2 3.72Å; H251-Y269 AromaticContact CG-CE2 3.76Å; H251-Y269 AromaticContact NE2-CD1 3.75Å; H251-Y269 AromaticContact NE2-CE1 3.76Å
252	Q	91.7	Very high	87.6	Confident	120 Å²	120	58.5 Å²	58.5	56%	0.561	31%	0.308	S	S	*	.	S	Bend	trans	-70.2	-20.1	-174.9	-61.9	-169.6	29.1	0	0	114.3	L250 A320 R321 T322	L250-Q252 PolarHBondContact O-N 3.31Å; Q252-A320 WeakPolarHBondContact O-CA 3.37Å; Q252-R321 PolarHBondContact O-N 3.38Å; Q252-T322 HydrophobicContact CB-CG2 4.29Å
253	K	95	Very high	88.9	Confident	11 Å²	11	55.1 Å²	55.1	5%	0.048	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	105.9	-178.7	-179.2	167.9	64.4	-177.6	0	112.2	H251 V255 R268 Y269 V319 A320 T322 L329 E332	H251-K253 VanDerWaalsContact C-N 3.27Å; H251-K253 PolarHBondContact O-N 2.98Å; K253-V255 HydrophobicContact CG-CG2 4.4Å; K253-R268 PolarHBondContact O-NH1 3.39Å; K253-Y269 WeakPolarHBondContact O-CE2 3.43Å; K253-V319 WeakPolarHBondContact CA-O 3.42Å; K253-A320 HydrophobicContact CB-CB 4.31Å; K253-A320 HydrophobicContact CD-CB 4.29Å; K253-A320 HydrophobicContact CG-CB 4.06Å; K253-T322 HydrophobicContact CB-CG2 4.17Å; K253-L329 HydrophobicContact CD-CD2 3.83Å; K253-E332 IonicContact NZ-OE1 2.69Å; K253-E332 PolarHBondContact NZ-OE1 2.95Å; K253-E332 IonicContact NZ-OE2 3.56Å; K253-E332 PolarHBondContact NZ-OE2 3.31Å
254	H	95.9	Very high	90.1	Very high	11 Å²	11	50.2 Å²	50.2	5%	0.051	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	149.7	166.7	-57.5	-99	0	0	0	110.6	W248 F256 Y269 A318 V319	W248-H254 AromaticContact CD2-CE1 3.5Å; W248-H254 AromaticContact CE2-CE1 3.37Å; W248-H254 AromaticContact CE2-ND1 3.46Å; W248-H254 AromaticContact CE3-CE1 3.86Å; W248-H254 AromaticContact CH2-CE1 3.99Å; W248-H254 AromaticContact CZ2-CE1 3.64Å; W248-H254 AromaticContact CZ2-ND1 3.44Å; W248-H254 WeakPolarHBondContact CZ2-ND1 3.29Å; W248-H254 AromaticContact NE1-CE1 3.78Å; W248-H254 AromaticContact NE1-ND1 3.75Å; W248-H254 PolarHBondContact O-CE1 3.01Å; W248-H254 PolarHBondContact O-NE2 3.45Å; H254-F256 HydrophobicContact CB-CE1 4.31Å; H254-F256 HydrophobicContact CB-CE2 3.66Å; H254-F256 HydrophobicContact CB-CZ 3.49Å; H254-F256 VanDerWaalsContact CB-CZ 3.49Å; H254-Y269 AromaticContact ND1-CD2 3.96Å; H254-A318 WeakPolarHBondContact O-CA 3.37Å; H254-V319 HydrophobicContact CB-CB 4.4Å; H254-V319 PolarHBondContact N-O 2.98Å; H254-V319 PolarHBondContact O-N 2.81Å
255	V	97.3	Very high	91.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.4	169.3	-177.4	0	0	0	0	109.3	K253 R268 V317 A318 L333 I336 L376	K253-V255 HydrophobicContact CG-CG2 4.4Å; V255-R268 HydrophobicContact CB-CB 4.44Å; V255-R268 PolarHBondContact O-N 2.9Å; V255-V317 WeakPolarHBondContact CA-O 3.32Å; V255-A318 HydrophobicContact CG2-CB 4.39Å; V255-L333 HydrophobicContact CG1-CD2 3.52Å; V255-I336 HydrophobicContact CB-CD1 4.39Å; V255-I336 HydrophobicContact CG1-CD1 3.57Å; V255-I336 HydrophobicContact CG2-CD1 4.45Å; V255-L376 HydrophobicContact CG2-CD2 3.97Å
256	F	97.2	Very high	91.9	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.1	-179.2	-49	-72.8	0	0	0	109.3	W248 H254 L258 Y266 S267 L275 M279 M282 L316 V317 V319	W248-F256 HydrophobicContact CH2-CZ 4.11Å; W248-F256 HydrophobicContact CZ2-CE1 4.01Å; W248-F256 AromaticContact CZ2-CZ 3.84Å; W248-F256 HydrophobicContact CZ2-CZ 3.84Å; H254-F256 HydrophobicContact CB-CE1 4.31Å; H254-F256 HydrophobicContact CB-CE2 3.66Å; H254-F256 HydrophobicContact CB-CZ 3.49Å; H254-F256 VanDerWaalsContact CB-CZ 3.49Å; F256-L258 HydrophobicContact CB-CD2 4.14Å; F256-Y266 WeakPolarHBondContact CA-O 3.29Å; F256-S267 WeakPolarHBondContact CD1-OG 3.25Å; F256-S267 WeakPolarHBondContact CE1-OG 3.43Å; F256-L275 HydrophobicContact CE1-CD1 4.16Å; F256-M279 HydrophobicContact CB-CE 4.43Å; F256-M279 HydrophobicContact CB-SD 4.2Å; F256-M279 HydrophobicContact CD1-CE 3.9Å; F256-M282 HydrophobicContact CD2-CE 3.7Å; F256-M282 HydrophobicContact CD2-SD 3.94Å; F256-M282 HydrophobicContact CE2-CE 3.72Å; F256-M282 HydrophobicContact CG-SD 4.41Å; F256-L316 WeakPolarHBondContact O-CA 3.42Å; F256-V317 HydrophobicContact CB-CB 4.49Å; F256-V317 HydrophobicContact CD2-CB 4.44Å; F256-V317 PolarHBondContact N-O 2.86Å; F256-V317 PolarHBondContact O-N 2.92Å; F256-V319 HydrophobicContact CE2-CG2 3.92Å
257	V	96.8	Very high	92.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.4	166.1	-174.4	0	0	0	0	107.5	V265 Y266 L314 L316 I336 I340	V257-V265 HydrophobicContact CB-CB 4.18Å; V257-V265 HydrophobicContact CB-CG1 4.43Å; V257-V265 HydrophobicContact CG1-CB 3.94Å; V257-V265 HydrophobicContact CG1-CG1 4Å; V257-V265 WeakPolarHBondContact O-CA 3.34Å; V257-V265 WeakPolarHBondContact O-CB 3.49Å; V257-V265 PolarHBondContact O-N 3.32Å; V257-Y266 HydrophobicContact CG2-CD1 4.21Å; V257-Y266 PolarHBondContact N-O 2.84Å; V257-Y266 PolarHBondContact O-N 2.73Å; V257-Y266 VanDerWaalsContact O-N 3.11Å; V257-L314 HydrophobicContact CG1-CD1 4.32Å; V257-L316 HydrophobicContact CG1-CD2 4.42Å; V257-L316 HydrophobicContact CG1-CG 4.18Å; V257-L316 HydrophobicContact CG2-CD2 3.89Å; V257-L316 HydrophobicContact CG2-CG 4.18Å; V257-I336 HydrophobicContact CG2-CG2 3.74Å; V257-I340 HydrophobicContact CG1-CD1 3.84Å; V257-I340 HydrophobicContact CG2-CD1 4.35Å
258	L	95	Very high	92.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	158.5	-178.7	50.1	141.8	0	0	0	110	F256 K263 M279 V283 L314 V315 V317	F256-L258 HydrophobicContact CB-CD2 4.14Å; L258-K263 CarbonylContact C-O 3.49Å; L258-K263 WeakPolarHBondContact CA-O 3.41Å; L258-K263 WeakPolarHBondContact CB-O 3.48Å; L258-M279 HydrophobicContact CB-SD 4.08Å; L258-M279 HydrophobicContact CD1-CB 4.37Å; L258-M279 HydrophobicContact CD2-CB 4.41Å; L258-M279 HydrophobicContact CD2-CG 4.45Å; L258-M279 HydrophobicContact CD2-SD 4.08Å; L258-V283 HydrophobicContact CD1-CG2 3.15Å; L258-L314 WeakPolarHBondContact O-CA 3.29Å; L258-V315 HydrophobicContact CD1-CB 4.29Å; L258-V315 HydrophobicContact CG-CB 4.17Å; L258-V315 WeakPolarHBondContact CG-O 3.05Å; L258-V315 PolarHBondContact N-O 3.37Å; L258-V315 PolarHBondContact O-N 3.29Å; L258-V315 VanDerWaalsContact O-O 3.11Å; L258-V317 HydrophobicContact CD2-CG2 4.22Å
259	S	93.3	Very high	93	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	164.2	172.5	71.4	0	0	0	0	111.7	A261 G262 K263 P313	S259-A261 PolarHBondContact O-N 3.13Å; S259-A261 VanDerWaalsContact O-N 3.16Å; S259-A261 PolarHBondContact OG-N 3.26Å; S259-G262 PolarHBondContact O-N 3.05Å; S259-K263 PolarHBondContact N-O 2.92Å; S259-K263 PolarHBondContact OG-N 2.89Å; S259-P313 WeakPolarHBondContact CA-O 3.31Å
260	E	89.6	Confident	93.1	Very high	68 Å²	68	35.6 Å²	35.6	32%	0.318	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.5	171.2	-71.6	-179.6	138	0	0	113.1	G262 R310 S312 P313 V315	E260-G262 VanDerWaalsContact C-N 3.28Å; E260-G262 PolarHBondContact O-N 3.44Å; E260-R310 IonicContact OE1-CZ 3.49Å; E260-R310 IonicContact OE1-NE 3.87Å; E260-R310 IonicContact OE1-NH2 3.21Å; E260-R310 PolarHBondContact OE1-NH2 2.95Å; E260-S312 WeakPolarHBondContact OE2-CB 3.27Å; E260-S312 PolarHBondContact OE2-OG 3.46Å; E260-P313 PolarHBondContact N-O 2.96Å; E260-V315 HydrophobicContact CG-CG2 3.92Å
261	A	87.4	Confident	93	Very high	53 Å²	53	32.4 Å²	32.4	44%	0.438	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	4.1	170.4	0	0	0	0	0	114	S259 K263 N358	S259-A261 PolarHBondContact O-N 3.13Å; S259-A261 VanDerWaalsContact O-N 3.16Å; S259-A261 PolarHBondContact OG-N 3.26Å; A261-K263 VanDerWaalsContact C-N 3.32Å; A261-K263 PolarHBondContact O-N 3.08Å; A261-N358 WeakPolarHBondContact CB-OD1 3.49Å
262	G	87.9	Confident	92.8	Very high	14 Å²	14	31.1 Å²	31.1	14%	0.144	18%	0.175	C	C	.	.			trans	76.5	10.1	-179.9	0	0	0	0	0	115.6	S259 E260	S259-G262 PolarHBondContact O-N 3.05Å; E260-G262 VanDerWaalsContact C-N 3.28Å; E260-G262 PolarHBondContact O-N 3.44Å
263	K	91	Very high	92.6	Very high	73 Å²	73	31.8 Å²	31.8	32%	0.317	18%	0.178	S	C	.	.			trans	-74.6	131.2	174	-65.6	-167.4	165.2	-163.1	0	110.1	L258 S259 A261 N358	L258-K263 CarbonylContact C-O 3.49Å; L258-K263 WeakPolarHBondContact CA-O 3.41Å; L258-K263 WeakPolarHBondContact CB-O 3.48Å; S259-K263 PolarHBondContact N-O 2.92Å; S259-K263 PolarHBondContact OG-N 2.89Å; A261-K263 VanDerWaalsContact C-N 3.32Å; A261-K263 PolarHBondContact O-N 3.08Å; K263-N358 WeakPolarHBondContact CE-O 3.48Å; K263-N358 PolarHBondContact NZ-O 2.85Å
264	P	93.5	Very high	92.2	Very high	10 Å²	10	34.6 Å²	34.6	7%	0.065	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141.8	175.4	32.3	-37.2	0	0	0	110	E272 M279 R362	P264-E272 HydrophobicContact CB-CB 3.79Å; P264-E272 HydrophobicContact CB-CG 4.14Å; P264-E272 HydrophobicContact CG-CB 3.98Å; P264-E272 WeakPolarHBondContact CG-O 3.45Å; P264-M279 HydrophobicContact CB-CE 3.72Å; P264-M279 HydrophobicContact CB-SD 3.56Å; P264-M279 VanDerWaalsContact CB-SD 3.56Å; P264-R362 WeakPolarHBondContact O-CD 3.21Å; P264-R362 WeakPolarHBondContact O-CG 3.28Å
265	V	93.8	Very high	91.9	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.055	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-38	179.9	173.8	0	0	0	0	111.1	V257 L314 L361 L365	V257-V265 HydrophobicContact CB-CB 4.18Å; V257-V265 HydrophobicContact CB-CG1 4.43Å; V257-V265 HydrophobicContact CG1-CB 3.94Å; V257-V265 HydrophobicContact CG1-CG1 4Å; V257-V265 WeakPolarHBondContact O-CA 3.34Å; V257-V265 WeakPolarHBondContact O-CB 3.49Å; V257-V265 PolarHBondContact O-N 3.32Å; V265-L314 HydrophobicContact CG2-CD2 4.26Å; V265-L361 HydrophobicContact CG1-CB 4.22Å; V265-L361 HydrophobicContact CG1-CD2 3.94Å; V265-L361 HydrophobicContact CG1-CG 4.33Å; V265-L361 HydrophobicContact CG2-CB 4.08Å; V265-L361 HydrophobicContact CG2-CD2 4.47Å; V265-L365 HydrophobicContact CG1-CD1 3.8Å
266	Y	95.4	Very high	91.6	Very high	14 Å²	14	37.3 Å²	37.3	6%	0.055	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	141.4	176.2	166.3	-96.9	0	0	0	110.5	F256 V257 R268 E272 T372 D373 L376	F256-Y266 WeakPolarHBondContact CA-O 3.29Å; V257-Y266 HydrophobicContact CG2-CD1 4.21Å; V257-Y266 PolarHBondContact N-O 2.84Å; V257-Y266 PolarHBondContact O-N 2.73Å; V257-Y266 VanDerWaalsContact O-N 3.11Å; Y266-R268 HydrophobicContact CE1-CB 4.31Å; Y266-R268 WeakPolarHBondContact OH-CA 3.18Å; Y266-E272 WeakPolarHBondContact CA-OE1 3.24Å; Y266-T372 HydrophobicContact CD1-CG2 4.16Å; Y266-T372 HydrophobicContact CD2-CG2 4.45Å; Y266-T372 HydrophobicContact CE1-CG2 3.72Å; Y266-T372 HydrophobicContact CE2-CG2 4.04Å; Y266-D373 PolarHBondContact OH-OD1 3.44Å; Y266-L376 HydrophobicContact CE1-CD1 3.96Å; Y266-L376 VanDerWaalsContact OH-CD1 3.28Å; Y266-L376 WeakPolarHBondContact OH-CD1 3.34Å
267	S	95.3	Very high	91.3	Very high	8 Å²	8	41.3 Å²	41.3	6%	0.056	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.5	163.1	-164	0	0	0	0	111.5	F256 Y269 E272 L275	F256-S267 WeakPolarHBondContact CD1-OG 3.25Å; F256-S267 WeakPolarHBondContact CE1-OG 3.43Å; S267-Y269 VanDerWaalsContact C-N 3.28Å; S267-Y269 PolarHBondContact O-N 2.96Å; S267-Y269 PolarHBondContact OG-O 3.37Å; S267-Y269 VanDerWaalsContact OG-O 3.11Å; S267-E272 PolarHBondContact N-OE1 3.4Å; S267-L275 WeakPolarHBondContact OG-CD1 3.3Å
268	R	93.9	Very high	91.1	Very high	39 Å²	39	44 Å²	44	15%	0.147	27%	0.267	C	S	.	.	S	Bend	trans	-65.6	-29.9	175.9	-170.1	-179	-170	-156.1	1.1	113.5	K253 V255 Y266 L376	K253-R268 PolarHBondContact O-NH1 3.39Å; V255-R268 HydrophobicContact CB-CB 4.44Å; V255-R268 PolarHBondContact O-N 2.9Å; Y266-R268 HydrophobicContact CE1-CB 4.31Å; Y266-R268 WeakPolarHBondContact OH-CA 3.18Å; R268-L376 HydrophobicContact CB-CD1 4.36Å; R268-L376 HydrophobicContact CG-CD1 4.03Å
269	Y	93	Very high	91	Very high	65 Å²	65	44 Å²	44	26%	0.255	27%	0.267	S	S	.	.	S	Bend	trans	-147	138.5	-174.9	-58.1	-60.2	0	0	0	109.5	W248 H251 K253 H254 S267 L275	W248-Y269 VanDerWaalsContact NE1-C 3.34Å; W248-Y269 PolarHBondContact NE1-O 2.9Å; H251-Y269 HydrophobicContact CB-CD2 3.87Å; H251-Y269 HydrophobicContact CB-CE2 3.81Å; H251-Y269 AromaticContact CD2-CD1 3.78Å; H251-Y269 AromaticContact CD2-CD2 3.65Å; H251-Y269 AromaticContact CD2-CE1 3.55Å; H251-Y269 AromaticContact CD2-CE2 3.4Å; H251-Y269 VanDerWaalsContact CD2-CE2 3.4Å; H251-Y269 WeakPolarHBondContact CD2-CE2 3.39Å; H251-Y269 AromaticContact CD2-CG 3.84Å; H251-Y269 AromaticContact CD2-CZ 3.35Å; H251-Y269 AromaticContact CG-CD2 3.72Å; H251-Y269 AromaticContact CG-CE2 3.76Å; H251-Y269 AromaticContact NE2-CD1 3.75Å; H251-Y269 AromaticContact NE2-CE1 3.76Å; K253-Y269 WeakPolarHBondContact O-CE2 3.43Å; H254-Y269 AromaticContact ND1-CD2 3.96Å; S267-Y269 VanDerWaalsContact C-N 3.28Å; S267-Y269 PolarHBondContact O-N 2.96Å; S267-Y269 PolarHBondContact OG-O 3.37Å; S267-Y269 VanDerWaalsContact OG-O 3.11Å; Y269-L275 VanDerWaalsContact O-CD1 3.3Å; Y269-L275 WeakPolarHBondContact O-CD1 3.35Å
270	G	89.4	Confident	90.9	Very high	48 Å²	48	45.6 Å²	45.6	50%	0.495	28%	0.283	S	S	.	.	S	Bend	trans	74	163.1	-173.5	0	0	0	0	0	112.3
271	S	87.8	Confident	91.1	Very high	63 Å²	63	46.6 Å²	46.6	44%	0.441	29%	0.294	S	S	.	.			trans	-78.3	144.1	-179.2	62.3	0	0	0	0	112.2	E273 A274 L275	S271-E273 PolarHBondContact O-N 3.42Å; S271-E273 VanDerWaalsContact O-N 3.14Å; S271-A274 PolarHBondContact O-N 3.14Å; S271-A274 WeakPolarHBondContact OG-CB 3.36Å; S271-A274 PolarHBondContact OG-N 3.46Å; S271-L275 WeakPolarHBondContact O-CB 3.42Å; S271-L275 WeakPolarHBondContact O-CG 3.47Å; S271-L275 PolarHBondContact O-N 3.26Å; S271-L275 VanDerWaalsContact O-N 3.17Å
272	E	89.2	Confident	91.5	Very high	42 Å²	42	45 Å²	45	20%	0.196	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-33.9	174.6	-76.4	73.7	-162.1	0	0	112.6	P264 Y266 S267 S276	P264-E272 HydrophobicContact CB-CB 3.79Å; P264-E272 HydrophobicContact CB-CG 4.14Å; P264-E272 HydrophobicContact CG-CB 3.98Å; P264-E272 WeakPolarHBondContact CG-O 3.45Å; Y266-E272 WeakPolarHBondContact CA-OE1 3.24Å; S267-E272 PolarHBondContact N-OE1 3.4Å; E272-S276 PolarHBondContact O-N 2.86Å; E272-S276 VanDerWaalsContact O-N 3.08Å
273	E	86.6	Confident	91.7	Very high	134 Å²	134	45.2 Å²	45.2	63%	0.626	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-45.9	-173.1	-62.8	-178.9	171.5	0	0	111.6	S271 L275 S276 R362	S271-E273 PolarHBondContact O-N 3.42Å; S271-E273 VanDerWaalsContact O-N 3.14Å; E273-L275 PolarHBondContact O-N 2.85Å; E273-S276 VanDerWaalsContact O-CB 3.22Å; E273-S276 WeakPolarHBondContact O-CB 3.37Å; E273-S276 PolarHBondContact O-N 3.24Å; E273-R362 VanDerWaalsContact CG-NH1 3.33Å; E273-R362 IonicContact OE1-CZ 3.12Å; E273-R362 IonicContact OE1-NH1 2.79Å; E273-R362 PolarHBondContact OE1-NH1 3.43Å; E273-R362 IonicContact OE1-NH2 3.85Å
274	A	87.1	Confident	91.8	Very high	71 Å²	71	44.7 Å²	44.7	59%	0.587	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-34	172.7	0	0	0	0	0	111.8	S271	S271-A274 PolarHBondContact O-N 3.14Å; S271-A274 WeakPolarHBondContact OG-CB 3.36Å; S271-A274 PolarHBondContact OG-N 3.46Å
275	L	90.1	Very high	91.8	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.089	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.1	-177.2	-63.4	170.6	0	0	0	114.1	W248 F256 S267 Y269 S271 E273 S277 T278 M279	W248-L275 HydrophobicContact CH2-CD2 3.88Å; W248-L275 HydrophobicContact CZ2-CD1 3.9Å; W248-L275 HydrophobicContact CZ2-CD2 3.46Å; W248-L275 VanDerWaalsContact CZ2-CD2 3.46Å; W248-L275 HydrophobicContact CZ2-CG 4.36Å; F256-L275 HydrophobicContact CE1-CD1 4.16Å; S267-L275 WeakPolarHBondContact OG-CD1 3.3Å; Y269-L275 VanDerWaalsContact O-CD1 3.3Å; Y269-L275 WeakPolarHBondContact O-CD1 3.35Å; S271-L275 WeakPolarHBondContact O-CB 3.42Å; S271-L275 WeakPolarHBondContact O-CG 3.47Å; S271-L275 PolarHBondContact O-N 3.26Å; S271-L275 VanDerWaalsContact O-N 3.17Å; E273-L275 PolarHBondContact O-N 2.85Å; L275-S277 VanDerWaalsContact C-N 3.29Å; L275-S277 PolarHBondContact O-N 2.82Å; L275-T278 WeakPolarHBondContact O-CA 3.47Å; L275-T278 WeakPolarHBondContact O-CB 3.42Å; L275-T278 PolarHBondContact O-N 3.29Å; L275-M279 HydrophobicContact CB-CE 4.06Å; L275-M279 WeakPolarHBondContact O-CG 3.42Å; L275-M279 PolarHBondContact O-N 3.35Å
276	S	90.3	Very high	91.7	Very high	52 Å²	52	47.6 Å²	47.6	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-53.5	-41.9	-178.8	-178.5	0	0	0	0	113	E272 E273 T278 M279 G280	E272-S276 PolarHBondContact O-N 2.86Å; E272-S276 VanDerWaalsContact O-N 3.08Å; E273-S276 VanDerWaalsContact O-CB 3.22Å; E273-S276 WeakPolarHBondContact O-CB 3.37Å; E273-S276 PolarHBondContact O-N 3.24Å; S276-T278 VanDerWaalsContact C-N 3.35Å; S276-T278 PolarHBondContact O-N 2.87Å; S276-M279 PolarHBondContact O-N 3.36Å; S276-G280 PolarHBondContact O-N 2.77Å
277	S	91.8	Very high	91.5	Very high	86 Å²	86	49.5 Å²	49.5	60%	0.601	32%	0.315	S	S	*	.	H	α-helix	trans	-60.7	-41.5	175.8	59.7	0	0	0	0	112.7	L275 G280 V281	L275-S277 VanDerWaalsContact C-N 3.29Å; L275-S277 PolarHBondContact O-N 2.82Å; S277-G280 PolarHBondContact O-N 2.82Å; S277-V281 PolarHBondContact O-N 2.64Å
278	T	92	Very high	91.4	Very high	57 Å²	57	56 Å²	56	35%	0.35	34%	0.343	S	S	.	.	H	α-helix	trans	-68.8	-41.7	178.3	-64.8	0	0	0	0	111.1	L275 S276 G280 V281 M282	L275-T278 WeakPolarHBondContact O-CA 3.47Å; L275-T278 WeakPolarHBondContact O-CB 3.42Å; L275-T278 PolarHBondContact O-N 3.29Å; S276-T278 VanDerWaalsContact C-N 3.35Å; S276-T278 PolarHBondContact O-N 2.87Å; T278-G280 VanDerWaalsContact C-N 3.35Å; T278-V281 PolarHBondContact O-N 3.38Å; T278-M282 HydrophobicContact CG2-CE 3.95Å; T278-M282 WeakPolarHBondContact O-CG 3.42Å; T278-M282 PolarHBondContact O-N 3.12Å; T278-M282 VanDerWaalsContact O-N 3.13Å
279	M	92.8	Very high	91.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-35.3	175.6	-59.1	-157.2	-150	0	0	112.1	F256 L258 P264 L275 S276 V281 M282 V283	F256-M279 HydrophobicContact CB-CE 4.43Å; F256-M279 HydrophobicContact CB-SD 4.2Å; F256-M279 HydrophobicContact CD1-CE 3.9Å; L258-M279 HydrophobicContact CB-SD 4.08Å; L258-M279 HydrophobicContact CD1-CB 4.37Å; L258-M279 HydrophobicContact CD2-CB 4.41Å; L258-M279 HydrophobicContact CD2-CG 4.45Å; L258-M279 HydrophobicContact CD2-SD 4.08Å; P264-M279 HydrophobicContact CB-CE 3.72Å; P264-M279 HydrophobicContact CB-SD 3.56Å; P264-M279 VanDerWaalsContact CB-SD 3.56Å; L275-M279 HydrophobicContact CB-CE 4.06Å; L275-M279 WeakPolarHBondContact O-CG 3.42Å; L275-M279 PolarHBondContact O-N 3.35Å; S276-M279 PolarHBondContact O-N 3.36Å; M279-V281 VanDerWaalsContact C-N 3.35Å; M279-V281 PolarHBondContact O-N 3.49Å; M279-M282 WeakPolarHBondContact O-CB 3.46Å; M279-M282 PolarHBondContact O-N 3.12Å; M279-M282 VanDerWaalsContact O-N 3.11Å; M279-V283 PolarHBondContact O-N 3.24Å
280	G	92.1	Very high	91.1	Very high	34 Å²	34	57.4 Å²	57.4	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-59.2	-41.9	171.9	0	0	0	0	0	113	S276 S277 T278 M282 V283 A284	S276-G280 PolarHBondContact O-N 2.77Å; S277-G280 PolarHBondContact O-N 2.82Å; T278-G280 VanDerWaalsContact C-N 3.35Å; G280-M282 VanDerWaalsContact C-N 3.33Å; G280-M282 PolarHBondContact O-N 2.85Å; G280-V283 PolarHBondContact O-N 2.95Å; G280-A284 PolarHBondContact O-N 3.42Å
281	V	93.9	Very high	91.1	Very high	90 Å²	90	59 Å²	59	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-38.6	172.8	175.2	0	0	0	0	111.4	S277 T278 M279 A284 L285	S277-V281 PolarHBondContact O-N 2.64Å; T278-V281 PolarHBondContact O-N 3.38Å; M279-V281 VanDerWaalsContact C-N 3.35Å; M279-V281 PolarHBondContact O-N 3.49Å; V281-A284 PolarHBondContact O-N 2.88Å; V281-L285 HydrophobicContact CG1-CD1 4.42Å; V281-L285 WeakPolarHBondContact O-CG 3.48Å; V281-L285 PolarHBondContact O-N 3.5Å
282	M	94.5	Very high	91.2	Very high	20 Å²	20	61.8 Å²	61.8	10%	0.099	37%	0.373	C	S	.	.	H	α-helix	trans	-62.9	-41.1	176.5	-67.2	177.2	178.2	0	0	112.5	F256 T278 M279 G280 V286 F308 V317 V319	F256-M282 HydrophobicContact CD2-CE 3.7Å; F256-M282 HydrophobicContact CD2-SD 3.94Å; F256-M282 HydrophobicContact CE2-CE 3.72Å; F256-M282 HydrophobicContact CG-SD 4.41Å; T278-M282 HydrophobicContact CG2-CE 3.95Å; T278-M282 WeakPolarHBondContact O-CG 3.42Å; T278-M282 PolarHBondContact O-N 3.12Å; T278-M282 VanDerWaalsContact O-N 3.13Å; M279-M282 WeakPolarHBondContact O-CB 3.46Å; M279-M282 PolarHBondContact O-N 3.12Å; M279-M282 VanDerWaalsContact O-N 3.11Å; G280-M282 VanDerWaalsContact C-N 3.33Å; G280-M282 PolarHBondContact O-N 2.85Å; M282-V286 VanDerWaalsContact O-CG2 3.27Å; M282-V286 WeakPolarHBondContact O-CG2 3.34Å; M282-V286 PolarHBondContact O-N 3.07Å; M282-F308 HydrophobicContact CB-CE1 4.35Å; M282-V317 HydrophobicContact CB-CG2 4.43Å; M282-V317 HydrophobicContact CE-CG1 4.22Å; M282-V317 HydrophobicContact SD-CB 3.91Å; M282-V317 HydrophobicContact SD-CG1 3.8Å; M282-V317 HydrophobicContact SD-CG2 4Å; M282-V319 HydrophobicContact CE-CG2 4.16Å
283	V	92.1	Very high	91.2	Very high	18 Å²	18	69.6 Å²	69.6	11%	0.109	41%	0.406	C	S	.	.	H	α-helix	trans	-65.4	-45.5	172.2	178	0	0	0	0	111.5	L258 M279 G280 L285 V286 S287	L258-V283 HydrophobicContact CD1-CG2 3.15Å; M279-V283 PolarHBondContact O-N 3.24Å; G280-V283 PolarHBondContact O-N 2.95Å; V283-L285 PolarHBondContact O-N 2.74Å; V283-V286 CarbonylContact O-C 3.59Å; V283-V286 WeakPolarHBondContact O-CA 3.23Å; V283-V286 WeakPolarHBondContact O-CB 3.37Å; V283-V286 PolarHBondContact O-N 3.3Å; V283-S287 PolarHBondContact O-N 2.71Å; V283-S287 PolarHBondContact O-OG 2.94Å
284	A	93.6	Very high	91.5	Very high	61 Å²	61	67.9 Å²	67.9	50%	0.504	40%	0.401	S	S	.	.	H	α-helix	trans	-55.6	-39.4	179.8	0	0	0	0	0	112.1	G280 V281 F288	G280-A284 PolarHBondContact O-N 3.42Å; V281-A284 PolarHBondContact O-N 2.88Å; A284-F288 WeakPolarHBondContact O-CB 3.35Å; A284-F288 PolarHBondContact O-N 2.71Å
285	L	93.3	Very high	91.7	Very high	76 Å²	76	67 Å²	67	40%	0.398	39%	0.394	S	S	.	.	H	α-helix	trans	-65.3	-39.3	173.3	-69.8	171.9	0	0	0	113.3	V281 V283	V281-L285 HydrophobicContact CG1-CD1 4.42Å; V281-L285 WeakPolarHBondContact O-CG 3.48Å; V281-L285 PolarHBondContact O-N 3.5Å; V283-L285 PolarHBondContact O-N 2.74Å
286	V	92.5	Very high	91.8	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.024	40%	0.396	C	S	.	.	H	α-helix	trans	-67.1	-53.5	177	172.6	0	0	0	0	110.7	M282 V283 F288 L289 E290 I296 F308 R310 V315	M282-V286 VanDerWaalsContact O-CG2 3.27Å; M282-V286 WeakPolarHBondContact O-CG2 3.34Å; M282-V286 PolarHBondContact O-N 3.07Å; V283-V286 CarbonylContact O-C 3.59Å; V283-V286 WeakPolarHBondContact O-CA 3.23Å; V283-V286 WeakPolarHBondContact O-CB 3.37Å; V283-V286 PolarHBondContact O-N 3.3Å; V286-F288 VanDerWaalsContact C-N 3.33Å; V286-F288 PolarHBondContact O-N 3.26Å; V286-L289 PolarHBondContact O-N 3.49Å; V286-E290 PolarHBondContact O-N 3.44Å; V286-I296 HydrophobicContact CB-CG2 4.36Å; V286-I296 HydrophobicContact CG2-CG2 3.73Å; V286-F308 HydrophobicContact CG2-CD1 3.74Å; V286-F308 HydrophobicContact CG2-CE1 4.06Å; V286-R310 HydrophobicContact CG1-CG 4.37Å; V286-V315 HydrophobicContact CG2-CG1 4.14Å
287	S	91.4	Very high	91.9	Very high	54 Å²	54	72.4 Å²	72.4	38%	0.378	41%	0.407	S	S	.	.	H	α-helix	trans	-65.9	-32.8	-177	-57.3	0	0	0	0	113	V283 E290 A291	V283-S287 PolarHBondContact O-N 2.71Å; V283-S287 PolarHBondContact O-OG 2.94Å; S287-E290 PolarHBondContact O-N 2.98Å; S287-A291 PolarHBondContact O-N 3.07Å
288	F	92.6	Very high	92.1	Very high	146 Å²	146	70.4 Å²	70.4	64%	0.64	39%	0.393	S	S	*	.	H	α-helix	trans	-61.1	-43.9	175.3	177.9	-98.6	0	0	0	112.1	A284 V286	A284-F288 WeakPolarHBondContact O-CB 3.35Å; A284-F288 PolarHBondContact O-N 2.71Å; V286-F288 VanDerWaalsContact C-N 3.33Å; V286-F288 PolarHBondContact O-N 3.26Å
289	L	91.4	Very high	92.3	Very high	47 Å²	47	70.9 Å²	70.9	25%	0.246	39%	0.393	C	S	.	.	H	α-helix	trans	-77.3	-28.6	179.1	-72.7	165.4	0	0	0	112.7	V286 A291 D292 N294 I296	V286-L289 PolarHBondContact O-N 3.49Å; L289-A291 VanDerWaalsContact C-N 3.31Å; L289-A291 PolarHBondContact O-N 3.02Å; L289-D292 PolarHBondContact O-N 3.28Å; L289-N294 CarbonylContact C-O 3.46Å; L289-N294 VanDerWaalsContact C-O 3.24Å; L289-N294 CarbonylContact O-C 3.5Å; L289-N294 WeakPolarHBondContact O-CA 3.39Å; L289-N294 WeakPolarHBondContact O-CB 3.36Å; L289-N294 PolarHBondContact O-N 3.24Å; L289-N294 VanDerWaalsContact O-O 3.05Å; L289-I296 HydrophobicContact CD1-CB 3.73Å; L289-I296 HydrophobicContact CD1-CD1 4.01Å; L289-I296 HydrophobicContact CD1-CG1 4.14Å
290	E	89	Confident	92.3	Very high	86 Å²	86	76.4 Å²	76.4	40%	0.402	42%	0.418	S	S	.	.	H	α-helix	trans	-64	-33.8	174.2	176.6	163.9	-127.2	0	0	112.8	V286 S287 D292 K293 N294 R310	V286-E290 PolarHBondContact O-N 3.44Å; S287-E290 PolarHBondContact O-N 2.98Å; E290-D292 PolarHBondContact O-N 3.02Å; E290-K293 WeakPolarHBondContact O-CA 3.42Å; E290-K293 PolarHBondContact O-N 2.94Å; E290-N294 WeakPolarHBondContact CA-O 3.2Å; E290-N294 PolarHBondContact N-O 3.17Å; E290-R310 IonicContact OE1-CZ 2.72Å; E290-R310 VanDerWaalsContact OE1-CZ 3.23Å; E290-R310 IonicContact OE1-NH1 2.76Å; E290-R310 PolarHBondContact OE1-NH1 3.14Å; E290-R310 IonicContact OE1-NH2 2.88Å; E290-R310 PolarHBondContact OE1-NH2 3.2Å; E290-R310 IonicContact OE2-CZ 2.66Å; E290-R310 IonicContact OE2-NH1 3.42Å; E290-R310 PolarHBondContact OE2-NH1 3.29Å; E290-R310 IonicContact OE2-NH2 3.84Å; E290-R310 PolarHBondContact OE2-NH2 2.97Å
291	A	89.1	Confident	92.3	Very high	82 Å²	82	77.5 Å²	77.5	68%	0.678	42%	0.424	S	S	*	.	H	α-helix	trans	-57.8	-33	173.5	0	0	0	0	0	112.7	S287 L289 K293	S287-A291 PolarHBondContact O-N 3.07Å; L289-A291 VanDerWaalsContact C-N 3.31Å; L289-A291 PolarHBondContact O-N 3.02Å; A291-K293 VanDerWaalsContact C-N 3.27Å; A291-K293 PolarHBondContact O-N 3.1Å
292	D	90.9	Very high	91.9	Very high	120 Å²	120	80.9 Å²	80.9	64%	0.642	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	13.9	174.9	-73	-24.2	0	0	0	113.2	L289 E290 N294	L289-D292 PolarHBondContact O-N 3.28Å; E290-D292 PolarHBondContact O-N 3.02Å; D292-N294 PolarHBondContact O-N 3.15Å
293	K	89.3	Confident	91.4	Very high	207 Å²	207	82.8 Å²	82.8	90%	0.9	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	31.8	-172.6	-59	-175.2	174.3	-168.3	0	113.6	E290 A291	E290-K293 WeakPolarHBondContact O-CA 3.42Å; E290-K293 PolarHBondContact O-N 2.94Å; A291-K293 VanDerWaalsContact C-N 3.27Å; A291-K293 PolarHBondContact O-N 3.1Å
294	N	92.2	Very high	91.3	Very high	98 Å²	98	85.4 Å²	85.4	52%	0.524	47%	0.472	S	S	.	.			trans	-115.2	156.2	179.8	-163.2	-0.3	0	0	0	110.5	L289 E290 D292	L289-N294 CarbonylContact C-O 3.46Å; L289-N294 VanDerWaalsContact C-O 3.24Å; L289-N294 CarbonylContact O-C 3.5Å; L289-N294 WeakPolarHBondContact O-CA 3.39Å; L289-N294 WeakPolarHBondContact O-CB 3.36Å; L289-N294 PolarHBondContact O-N 3.24Å; L289-N294 VanDerWaalsContact O-O 3.05Å; E290-N294 WeakPolarHBondContact CA-O 3.2Å; E290-N294 PolarHBondContact N-O 3.17Å; D292-N294 PolarHBondContact O-N 3.15Å
295	A	90	Very high	91.4	Very high	53 Å²	53	84.2 Å²	84.2	44%	0.438	46%	0.455	S	S	.	.			trans	-124.8	119.1	-179	0	0	0	0	0	110.3	R297	A295-R297 PolarHBondContact O-N 3.07Å
296	I	93.1	Very high	91.6	Very high	23 Å²	23	82 Å²	82	12%	0.118	45%	0.445	C	S	.	.			trans	-65.1	123.9	172.3	-166.4	166.5	0	0	0	109.9	V286 L289 I299 F308	V286-I296 HydrophobicContact CB-CG2 4.36Å; V286-I296 HydrophobicContact CG2-CG2 3.73Å; L289-I296 HydrophobicContact CD1-CB 3.73Å; L289-I296 HydrophobicContact CD1-CD1 4.01Å; L289-I296 HydrophobicContact CD1-CG1 4.14Å; I296-I299 HydrophobicContact CD1-CD1 3.9Å; I296-I299 HydrophobicContact CD1-CG1 3.86Å; I296-F308 HydrophobicContact CD1-CD2 3.95Å; I296-F308 HydrophobicContact CD1-CE2 3.63Å; I296-F308 HydrophobicContact CD1-CZ 4.05Å; I296-F308 HydrophobicContact CG1-CD2 3.84Å; I296-F308 HydrophobicContact CG1-CE2 4.05Å; I296-F308 HydrophobicContact CG1-CG 4.42Å; I296-F308 HydrophobicContact CG2-CB 4Å; I296-F308 HydrophobicContact CG2-CD1 4.04Å; I296-F308 HydrophobicContact CG2-CD2 4.1Å; I296-F308 HydrophobicContact CG2-CG 3.8Å
297	R	93.6	Very high	91.8	Very high	158 Å²	158	81.9 Å²	81.9	60%	0.596	44%	0.444	S	S	*	.			trans	-103.2	-45	175.9	-61.9	-174.3	-178.4	-150.2	-2.9	111.6	A295 F308	A295-R297 PolarHBondContact O-N 3.07Å; R297-F308 PolarHBondContact O-N 3.44Å
298	S	95.3	Very high	92.1	Very high	44 Å²	44	79.9 Å²	79.9	31%	0.308	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	145.8	-179.9	57.8	0	0	0	0	113.7	H300 V306	S298-H300 PolarHBondContact OG-CE1 3.24Å; S298-H300 VanDerWaalsContact OG-CE1 3.3Å; S298-V306 CarbonylContact C-O 3.49Å; S298-V306 WeakPolarHBondContact CA-O 3.18Å; S298-V306 WeakPolarHBondContact CB-O 3.41Å
299	I	95.3	Very high	92.3	Very high	68 Å²	68	73.6 Å²	73.6	35%	0.349	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.5	168.7	-51.6	169.6	0	0	0	108	I296 K305 V306 F308	I296-I299 HydrophobicContact CD1-CD1 3.9Å; I296-I299 HydrophobicContact CD1-CG1 3.86Å; I299-K305 WeakPolarHBondContact O-CA 3.41Å; I299-V306 HydrophobicContact CB-CB 4.15Å; I299-V306 HydrophobicContact CB-CG2 4.46Å; I299-V306 PolarHBondContact N-O 2.66Å; I299-V306 PolarHBondContact O-N 3.33Å; I299-F308 HydrophobicContact CD1-CE2 3.91Å; I299-F308 HydrophobicContact CD1-CZ 4.25Å; I299-F308 HydrophobicContact CG1-CE2 4.08Å
300	H	94.4	Very high	92.4	Very high	116 Å²	116	74.8 Å²	74.8	54%	0.537	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	118.5	177.1	-66.9	75.6	0	0	0	109.2	S298	S298-H300 PolarHBondContact OG-CE1 3.24Å; S298-H300 VanDerWaalsContact OG-CE1 3.3Å
301	A	90.8	Very high	92.6	Very high	56 Å²	56	74.4 Å²	74.4	46%	0.463	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	133.3	-178.4	0	0	0	0	0	110	G303 Y304	A301-G303 VanDerWaalsContact C-N 3.26Å; A301-G303 PolarHBondContact O-N 3.04Å; A301-Y304 PolarHBondContact N-O 3.16Å; A301-Y304 WeakPolarHBondContact O-CA 3.4Å; A301-Y304 WeakPolarHBondContact O-CB 3.39Å; A301-Y304 PolarHBondContact O-N 2.94Å
302	D	85	Confident	92.7	Very high	162 Å²	162	74.2 Å²	74.2	87%	0.866	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.2	43	170.5	-58	-23.7	0	0	0	116.4	Y304	D302-Y304 PolarHBondContact O-N 3.49Å
303	G	84.3	Confident	92.8	Very high	59 Å²	59	69 Å²	69	61%	0.608	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-11.1	179.9	0	0	0	0	0	115.1	A301	A301-G303 VanDerWaalsContact C-N 3.26Å; A301-G303 PolarHBondContact O-N 3.04Å
304	Y	90.7	Very high	93	Very high	74 Å²	74	59.1 Å²	59.1	29%	0.29	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	151	168.9	-67.3	-90.8	0	0	0	112.3	A301 D302 V319 A320 R321	A301-Y304 PolarHBondContact N-O 3.16Å; A301-Y304 WeakPolarHBondContact O-CA 3.4Å; A301-Y304 WeakPolarHBondContact O-CB 3.39Å; A301-Y304 PolarHBondContact O-N 2.94Å; D302-Y304 PolarHBondContact O-N 3.49Å; Y304-V319 HydrophobicContact CD1-CG1 4.2Å; Y304-A320 WeakPolarHBondContact CA-O 3.37Å; Y304-R321 HydrophobicContact CD1-CB 3.99Å; Y304-R321 HydrophobicContact CD1-CG 4.47Å; Y304-R321 HydrophobicContact CE1-CB 4.02Å; Y304-R321 HydrophobicContact CE1-CG 4.44Å; Y304-R321 VanDerWaalsContact OH-CZ 3.28Å; Y304-R321 PolarHBondContact OH-NE 2.84Å; Y304-R321 PolarHBondContact OH-NH2 2.87Å
305	K	95.3	Very high	93.2	Very high	35 Å²	35	54.6 Å²	54.6	15%	0.152	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.6	166.4	-48	-173.3	-162.3	82	0	107.6	I299 V307 A320 T322 Q324 L329	I299-K305 WeakPolarHBondContact O-CA 3.41Å; K305-V307 HydrophobicContact CB-CG2 4.42Å; K305-A320 PolarHBondContact N-O 2.96Å; K305-A320 PolarHBondContact O-N 3.4Å; K305-T322 PolarHBondContact NZ-O 2.93Å; K305-Q324 VanDerWaalsContact CE-O 3.24Å; K305-Q324 WeakPolarHBondContact CE-O 3.47Å; K305-Q324 PolarHBondContact NZ-O 2.86Å; K305-L329 HydrophobicContact CB-CD1 4.15Å; K305-L329 HydrophobicContact CD-CD1 4.43Å
306	V	96.9	Very high	93.6	Very high	29 Å²	29	52 Å²	52	18%	0.176	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.2	164.8	-169.5	0	0	0	0	106.5	S298 I299 F308 V317 A318 V319	S298-V306 CarbonylContact C-O 3.49Å; S298-V306 WeakPolarHBondContact CA-O 3.18Å; S298-V306 WeakPolarHBondContact CB-O 3.41Å; I299-V306 HydrophobicContact CB-CB 4.15Å; I299-V306 HydrophobicContact CB-CG2 4.46Å; I299-V306 PolarHBondContact N-O 2.66Å; I299-V306 PolarHBondContact O-N 3.33Å; V306-F308 HydrophobicContact CB-CE2 4.1Å; V306-F308 HydrophobicContact CG1-CD2 4.18Å; V306-F308 HydrophobicContact CG1-CE2 3.41Å; V306-F308 VanDerWaalsContact CG1-CE2 3.41Å; V306-F308 HydrophobicContact CG1-CZ 3.65Å; V306-V317 HydrophobicContact CG1-CG1 3.69Å; V306-A318 CarbonylContact C-O 3.51Å; V306-A318 VanDerWaalsContact CA-O 3.28Å; V306-A318 WeakPolarHBondContact CA-O 3.34Å; V306-V319 HydrophobicContact CG1-CG2 4.05Å; V306-V319 HydrophobicContact CG2-CG1 4.47Å; V306-V319 HydrophobicContact CG2-CG2 4.24Å
307	V	97.6	Very high	93.8	Very high	3 Å²	3	51 Å²	51	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.1	-177.8	179.7	0	0	0	0	108.6	K305 V317 A318 A326 L329 A330 L333	K305-V307 HydrophobicContact CB-CG2 4.42Å; V307-V317 CarbonylContact O-C 3.49Å; V307-V317 VanDerWaalsContact O-CA 3.31Å; V307-V317 WeakPolarHBondContact O-CA 3.32Å; V307-A318 PolarHBondContact N-O 3.44Å; V307-A318 PolarHBondContact O-N 2.77Å; V307-A326 HydrophobicContact CG2-CB 3.92Å; V307-L329 HydrophobicContact CB-CB 4.2Å; V307-L329 HydrophobicContact CG1-CB 4.38Å; V307-L329 HydrophobicContact CG2-CB 3.92Å; V307-L329 HydrophobicContact CG2-CD1 3.82Å; V307-A330 HydrophobicContact CG1-CB 3.96Å; V307-L333 HydrophobicContact CG1-CD1 4.3Å
308	F	97.4	Very high	94	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.3	-177	-63.2	-101.1	0	0	0	109.1	M282 V286 I296 R297 I299 V306 L316 V317	M282-F308 HydrophobicContact CB-CE1 4.35Å; V286-F308 HydrophobicContact CG2-CD1 3.74Å; V286-F308 HydrophobicContact CG2-CE1 4.06Å; I296-F308 HydrophobicContact CD1-CD2 3.95Å; I296-F308 HydrophobicContact CD1-CE2 3.63Å; I296-F308 HydrophobicContact CD1-CZ 4.05Å; I296-F308 HydrophobicContact CG1-CD2 3.84Å; I296-F308 HydrophobicContact CG1-CE2 4.05Å; I296-F308 HydrophobicContact CG1-CG 4.42Å; I296-F308 HydrophobicContact CG2-CB 4Å; I296-F308 HydrophobicContact CG2-CD1 4.04Å; I296-F308 HydrophobicContact CG2-CD2 4.1Å; I296-F308 HydrophobicContact CG2-CG 3.8Å; R297-F308 PolarHBondContact O-N 3.44Å; I299-F308 HydrophobicContact CD1-CE2 3.91Å; I299-F308 HydrophobicContact CD1-CZ 4.25Å; I299-F308 HydrophobicContact CG1-CE2 4.08Å; V306-F308 HydrophobicContact CB-CE2 4.1Å; V306-F308 HydrophobicContact CG1-CD2 4.18Å; V306-F308 HydrophobicContact CG1-CE2 3.41Å; V306-F308 VanDerWaalsContact CG1-CE2 3.41Å; V306-F308 HydrophobicContact CG1-CZ 3.65Å; F308-L316 WeakPolarHBondContact CA-O 3.42Å; F308-V317 HydrophobicContact CD1-CB 4.49Å; F308-V317 HydrophobicContact CD1-CG1 4.13Å; F308-V317 HydrophobicContact CD1-CG2 3.62Å; F308-V317 HydrophobicContact CE1-CG1 3.98Å; F308-V317 HydrophobicContact CE1-CG2 3.86Å; F308-V317 HydrophobicContact CG-CG2 4.48Å; F308-V317 HydrophobicContact CZ-CG1 4.28Å
309	V	97.1	Very high	94.1	Very high	14 Å²	14	42.7 Å²	42.7	9%	0.085	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.9	171.7	170.1	0	0	0	0	107.7	R311 L316 A330 L333 L334	V309-R311 HydrophobicContact CG1-CG 4.28Å; V309-L316 HydrophobicContact CB-CB 4.45Å; V309-L316 PolarHBondContact N-O 3.02Å; V309-L316 PolarHBondContact O-N 2.79Å; V309-A330 HydrophobicContact CG2-CB 3.72Å; V309-L333 HydrophobicContact CB-CB 4.06Å; V309-L333 HydrophobicContact CB-CD1 4.1Å; V309-L333 HydrophobicContact CG2-CB 3.95Å; V309-L333 HydrophobicContact CG2-CD1 3.86Å; V309-L334 HydrophobicContact CG1-CD2 3.77Å; V309-L334 HydrophobicContact CG1-CG 4.21Å
310	R	93.9	Very high	94.1	Very high	72 Å²	72	39.5 Å²	39.5	27%	0.272	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.6	174.8	-61.7	-175.7	69	-165.7	-3.8	109.5	E260 V286 E290 V315	E260-R310 IonicContact OE1-CZ 3.49Å; E260-R310 IonicContact OE1-NE 3.87Å; E260-R310 IonicContact OE1-NH2 3.21Å; E260-R310 PolarHBondContact OE1-NH2 2.95Å; V286-R310 HydrophobicContact CG1-CG 4.37Å; E290-R310 IonicContact OE1-CZ 2.72Å; E290-R310 VanDerWaalsContact OE1-CZ 3.23Å; E290-R310 IonicContact OE1-NH1 2.76Å; E290-R310 PolarHBondContact OE1-NH1 3.14Å; E290-R310 IonicContact OE1-NH2 2.88Å; E290-R310 PolarHBondContact OE1-NH2 3.2Å; E290-R310 IonicContact OE2-CZ 2.66Å; E290-R310 IonicContact OE2-NH1 3.42Å; E290-R310 PolarHBondContact OE2-NH1 3.29Å; E290-R310 IonicContact OE2-NH2 3.84Å; E290-R310 PolarHBondContact OE2-NH2 2.97Å; R310-V315 HydrophobicContact CG-CG2 4.36Å
311	R	93.6	Very high	93.9	Very high	79 Å²	79	40.3 Å²	40.3	30%	0.298	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	86.6	170.8	-71	-63.3	-175.5	-169.3	-4.7	106.4	D156 V309 L314 L334 Y337	D156-R311 PolarHBondContact O-NH2 3.49Å; V309-R311 HydrophobicContact CG1-CG 4.28Å; R311-L314 CarbonylContact C-O 3.58Å; R311-L314 VanDerWaalsContact C-O 3.3Å; R311-L314 PolarHBondContact N-O 2.98Å; R311-L314 WeakPolarHBondContact O-CA 3.48Å; R311-L314 PolarHBondContact O-N 3.43Å; R311-L314 VanDerWaalsContact O-O 3.11Å; R311-L334 HydrophobicContact CG-CD2 4.11Å; R311-Y337 HydrophobicContact CB-CD1 4.26Å; R311-Y337 HydrophobicContact CB-CD2 3.66Å; R311-Y337 HydrophobicContact CB-CE1 4.05Å; R311-Y337 HydrophobicContact CB-CE2 3.41Å; R311-Y337 VanDerWaalsContact CB-CE2 3.41Å; R311-Y337 HydrophobicContact CB-CG 4.07Å; R311-Y337 HydrophobicContact CG-CD1 4.06Å; R311-Y337 HydrophobicContact CG-CD2 4.24Å; R311-Y337 HydrophobicContact CG-CE1 4.07Å; R311-Y337 HydrophobicContact CG-CE2 4.26Å; R311-Y337 HydrophobicContact CG-CG 4.13Å
312	S	89.7	Confident	93.8	Very high	78 Å²	78	39 Å²	39	55%	0.545	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	133.7	-174.5	-175.6	0	0	0	0	110.8	E260	E260-S312 WeakPolarHBondContact OE2-CB 3.27Å; E260-S312 PolarHBondContact OE2-OG 3.46Å
313	P	92.8	Very high	93.8	Very high	10 Å²	10	38.2 Å²	38.2	7%	0.065	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88	16.3	10.1	36.4	-36.8	0	0	0	115.4	S259 E260 L349 F353	S259-P313 WeakPolarHBondContact CA-O 3.31Å; E260-P313 PolarHBondContact N-O 2.96Å; P313-L349 HydrophobicContact CG-CD1 4.1Å; P313-L349 HydrophobicContact CG-CD2 4.34Å; P313-L349 HydrophobicContact CG-CG 3.88Å; P313-F353 HydrophobicContact CB-CB 3.75Å; P313-F353 HydrophobicContact CB-CD1 3.73Å; P313-F353 HydrophobicContact CB-CD2 3.88Å; P313-F353 HydrophobicContact CB-CE1 4.29Å; P313-F353 HydrophobicContact CB-CE2 4.41Å; P313-F353 HydrophobicContact CB-CG 3.49Å; P313-F353 VanDerWaalsContact CB-CG 3.49Å; P313-F353 HydrophobicContact CG-CB 3.85Å; P313-F353 HydrophobicContact CG-CD1 4.16Å; P313-F353 HydrophobicContact CG-CD2 3.35Å; P313-F353 HydrophobicContact CG-CE2 3.87Å; P313-F353 HydrophobicContact CG-CG 3.5Å; P313-F353 VanDerWaalsContact CG-CG 3.5Å; P313-F353 HydrophobicContact CG-CZ 4.47Å
314	L	94.9	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.2	-173.3	-58.7	-179.7	0	0	0	113.8	V257 L258 V265 R311 L316 Y337 I340 L349 L361	V257-L314 HydrophobicContact CG1-CD1 4.32Å; L258-L314 WeakPolarHBondContact O-CA 3.29Å; V265-L314 HydrophobicContact CG2-CD2 4.26Å; R311-L314 CarbonylContact C-O 3.58Å; R311-L314 VanDerWaalsContact C-O 3.3Å; R311-L314 PolarHBondContact N-O 2.98Å; R311-L314 WeakPolarHBondContact O-CA 3.48Å; R311-L314 PolarHBondContact O-N 3.43Å; R311-L314 VanDerWaalsContact O-O 3.11Å; L314-L316 HydrophobicContact CB-CD1 4.13Å; L314-Y337 HydrophobicContact CD1-CD2 4.23Å; L314-Y337 HydrophobicContact CD1-CE2 4.42Å; L314-I340 HydrophobicContact CD1-CD1 4.14Å; L314-I340 HydrophobicContact CD1-CG2 4.35Å; L314-L349 HydrophobicContact CD1-CD2 4.04Å; L314-L349 HydrophobicContact CG-CD2 4.39Å; L314-L361 HydrophobicContact CD1-CD2 4.45Å; L314-L361 HydrophobicContact CD2-CD2 4.07Å
315	V	95.9	Very high	94.2	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128	168.4	-177.8	0	0	0	0	108	L258 E260 V286 R310 V317	L258-V315 HydrophobicContact CD1-CB 4.29Å; L258-V315 HydrophobicContact CG-CB 4.17Å; L258-V315 WeakPolarHBondContact CG-O 3.05Å; L258-V315 PolarHBondContact N-O 3.37Å; L258-V315 PolarHBondContact O-N 3.29Å; L258-V315 VanDerWaalsContact O-O 3.11Å; E260-V315 HydrophobicContact CG-CG2 3.92Å; V286-V315 HydrophobicContact CG2-CG1 4.14Å; R310-V315 HydrophobicContact CG-CG2 4.36Å; V315-V317 HydrophobicContact CG1-CG2 4.18Å
316	L	98	Very high	94.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.7	-178.7	-60.5	93.9	0	0	0	109	F256 V257 F308 V309 L314 L333 I336 Y337	F256-L316 WeakPolarHBondContact O-CA 3.42Å; V257-L316 HydrophobicContact CG1-CD2 4.42Å; V257-L316 HydrophobicContact CG1-CG 4.18Å; V257-L316 HydrophobicContact CG2-CD2 3.89Å; V257-L316 HydrophobicContact CG2-CG 4.18Å; F308-L316 WeakPolarHBondContact CA-O 3.42Å; V309-L316 HydrophobicContact CB-CB 4.45Å; V309-L316 PolarHBondContact N-O 3.02Å; V309-L316 PolarHBondContact O-N 2.79Å; L314-L316 HydrophobicContact CB-CD1 4.13Å; L316-L333 HydrophobicContact CB-CB 4.16Å; L316-L333 HydrophobicContact CB-CD1 4.46Å; L316-L333 HydrophobicContact CB-CD2 4.14Å; L316-L333 HydrophobicContact CB-CG 4.48Å; L316-L333 WeakPolarHBondContact CD2-O 3.29Å; L316-I336 HydrophobicContact CD2-CB 4.29Å; L316-I336 HydrophobicContact CD2-CG2 4.19Å; L316-Y337 HydrophobicContact CD1-CD2 4.26Å
317	V	98.1	Very high	93.8	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.3	-174.6	-170.1	0	0	0	0	110.6	V255 F256 L258 M282 V306 V307 F308 V315	V255-V317 WeakPolarHBondContact CA-O 3.32Å; F256-V317 HydrophobicContact CB-CB 4.49Å; F256-V317 HydrophobicContact CD2-CB 4.44Å; F256-V317 PolarHBondContact N-O 2.86Å; F256-V317 PolarHBondContact O-N 2.92Å; L258-V317 HydrophobicContact CD2-CG2 4.22Å; M282-V317 HydrophobicContact CB-CG2 4.43Å; M282-V317 HydrophobicContact CE-CG1 4.22Å; M282-V317 HydrophobicContact SD-CB 3.91Å; M282-V317 HydrophobicContact SD-CG1 3.8Å; M282-V317 HydrophobicContact SD-CG2 4Å; V306-V317 HydrophobicContact CG1-CG1 3.69Å; V307-V317 CarbonylContact O-C 3.49Å; V307-V317 VanDerWaalsContact O-CA 3.31Å; V307-V317 WeakPolarHBondContact O-CA 3.32Å; F308-V317 HydrophobicContact CD1-CB 4.49Å; F308-V317 HydrophobicContact CD1-CG1 4.13Å; F308-V317 HydrophobicContact CD1-CG2 3.62Å; F308-V317 HydrophobicContact CE1-CG1 3.98Å; F308-V317 HydrophobicContact CE1-CG2 3.86Å; F308-V317 HydrophobicContact CG-CG2 4.48Å; F308-V317 HydrophobicContact CZ-CG1 4.28Å; V315-V317 HydrophobicContact CG1-CG2 4.18Å
318	A	97.8	Very high	93.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.2	170.2	0	0	0	0	0	109.7	H254 V255 V306 V307 L333	H254-A318 WeakPolarHBondContact O-CA 3.37Å; V255-A318 HydrophobicContact CG2-CB 4.39Å; V306-A318 CarbonylContact C-O 3.51Å; V306-A318 VanDerWaalsContact CA-O 3.28Å; V306-A318 WeakPolarHBondContact CA-O 3.34Å; V307-A318 PolarHBondContact N-O 3.44Å; V307-A318 PolarHBondContact O-N 2.77Å; A318-L333 HydrophobicContact CB-CD1 3.99Å; A318-L333 HydrophobicContact CB-CD2 3.89Å; A318-L333 HydrophobicContact CB-CG 4.07Å
319	V	96.4	Very high	93.5	Very high	28 Å²	28	34 Å²	34	17%	0.17	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	108.6	170.1	-179.5	0	0	0	0	107.5	K253 H254 F256 M282 Y304 V306	K253-V319 WeakPolarHBondContact CA-O 3.42Å; H254-V319 HydrophobicContact CB-CB 4.4Å; H254-V319 PolarHBondContact N-O 2.98Å; H254-V319 PolarHBondContact O-N 2.81Å; F256-V319 HydrophobicContact CE2-CG2 3.92Å; M282-V319 HydrophobicContact CE-CG2 4.16Å; Y304-V319 HydrophobicContact CD1-CG1 4.2Å; V306-V319 HydrophobicContact CG1-CG2 4.05Å; V306-V319 HydrophobicContact CG2-CG1 4.47Å; V306-V319 HydrophobicContact CG2-CG2 4.24Å
320	A	95.3	Very high	93.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.4	-170.2	0	0	0	0	0	113.4	Q252 K253 Y304 K305 T322 L329	Q252-A320 WeakPolarHBondContact O-CA 3.37Å; K253-A320 HydrophobicContact CB-CB 4.31Å; K253-A320 HydrophobicContact CD-CB 4.29Å; K253-A320 HydrophobicContact CG-CB 4.06Å; Y304-A320 WeakPolarHBondContact CA-O 3.37Å; K305-A320 PolarHBondContact N-O 2.96Å; K305-A320 PolarHBondContact O-N 3.4Å; A320-T322 HydrophobicContact CB-CG2 4.39Å; A320-L329 HydrophobicContact CB-CD1 3.77Å; A320-L329 HydrophobicContact CB-CD2 3.76Å; A320-L329 HydrophobicContact CB-CG 4.44Å
321	R	91.6	Very high	93.5	Very high	134 Å²	134	33.6 Å²	33.6	51%	0.506	17%	0.165	S	C	.	.			trans	-100.6	28.1	168.1	-159.9	-169.2	-94.4	-180	-10.2	111.2	Q252 Y304	Q252-R321 PolarHBondContact O-N 3.38Å; Y304-R321 HydrophobicContact CD1-CB 3.99Å; Y304-R321 HydrophobicContact CD1-CG 4.47Å; Y304-R321 HydrophobicContact CE1-CB 4.02Å; Y304-R321 HydrophobicContact CE1-CG 4.44Å; Y304-R321 VanDerWaalsContact OH-CZ 3.28Å; Y304-R321 PolarHBondContact OH-NE 2.84Å; Y304-R321 PolarHBondContact OH-NH2 2.87Å
322	T	88.6	Confident	93.6	Very high	27 Å²	27	30.5 Å²	30.5	17%	0.166	15%	0.154	C	C	.	.	S	Bend	trans	-97	171.7	-175.1	71.4	0	0	0	0	112.7	Q252 K253 K305 A320 Q324	Q252-T322 HydrophobicContact CB-CG2 4.29Å; K253-T322 HydrophobicContact CB-CG2 4.17Å; K305-T322 PolarHBondContact NZ-O 2.93Å; A320-T322 HydrophobicContact CB-CG2 4.39Å; T322-Q324 PolarHBondContact O-N 2.9Å; T322-Q324 WeakPolarHBondContact OG1-CB 3.13Å; T322-Q324 WeakPolarHBondContact OG1-CG 3.46Å; T322-Q324 PolarHBondContact OG1-N 2.95Å; T322-Q324 PolarHBondContact OG1-OE1 3.32Å
323	R	84.9	Confident	94	Very high	146 Å²	146	26.8 Å²	26.8	55%	0.551	13%	0.128	S	C	*	.	S	Bend	trans	-71.5	-14.4	175.1	-66.5	-176.3	-173.6	149.4	8.8	113.8
324	Q	90.9	Very high	94.2	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.047	13%	0.126	C	C	.	.			trans	-57.7	139.6	-178	-59.6	176.5	-86.9	0	0	111.5	K305 T322 E328 L329 E332 Q578	K305-Q324 VanDerWaalsContact CE-O 3.24Å; K305-Q324 WeakPolarHBondContact CE-O 3.47Å; K305-Q324 PolarHBondContact NZ-O 2.86Å; T322-Q324 PolarHBondContact O-N 2.9Å; T322-Q324 WeakPolarHBondContact OG1-CB 3.13Å; T322-Q324 WeakPolarHBondContact OG1-CG 3.46Å; T322-Q324 PolarHBondContact OG1-N 2.95Å; T322-Q324 PolarHBondContact OG1-OE1 3.32Å; Q324-E328 HydrophobicContact CB-CB 4.34Å; Q324-L329 HydrophobicContact CB-CD2 4.07Å; Q324-L329 HydrophobicContact CB-CG 3.96Å; Q324-E332 VanDerWaalsContact NE2-CD 3.26Å; Q324-E332 PolarHBondContact NE2-OE1 3.03Å; Q324-Q578 VanDerWaalsContact CG-OE1 3.25Å
325	S	91.3	Very high	94.4	Very high	26 Å²	26	26.9 Å²	26.9	18%	0.182	13%	0.127	C	C	.	.			trans	-71.7	161.2	171.2	63.5	0	0	0	0	111.6	Q327 E328 L329	S325-Q327 PolarHBondContact O-N 3.29Å; S325-E328 VanDerWaalsContact CB-OE2 3.31Å; S325-E328 WeakPolarHBondContact CB-OE2 3.45Å; S325-E328 PolarHBondContact N-OE2 2.92Å; S325-E328 PolarHBondContact O-N 2.96Å; S325-E328 VanDerWaalsContact O-N 3.15Å; S325-E328 WeakPolarHBondContact OG-CG 3.45Å; S325-E328 PolarHBondContact OG-N 2.75Å; S325-E328 PolarHBondContact OG-OE2 3.22Å; S325-L329 WeakPolarHBondContact O-CG 3.3Å; S325-L329 PolarHBondContact O-N 2.91Å
326	A	93	Very high	94.5	Very high	25 Å²	25	26.9 Å²	26.9	21%	0.207	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-30.2	174.9	0	0	0	0	0	112.5	V307 A330	V307-A326 HydrophobicContact CG2-CB 3.92Å; A326-A330 VanDerWaalsContact O-CB 3.3Å; A326-A330 WeakPolarHBondContact O-CB 3.3Å; A326-A330 PolarHBondContact O-N 3.35Å
327	Q	91.8	Very high	94.4	Very high	48 Å²	48	28.2 Å²	28.2	22%	0.224	13%	0.132	C	C	.	.	H	α-helix	trans	-68	-43.4	174.5	170.5	174.8	-13.2	0	0	112.6	Y154 S325 A330 Q331	Y154-Q327 HydrophobicContact CE2-CG 3.76Å; S325-Q327 PolarHBondContact O-N 3.29Å; Q327-A330 PolarHBondContact O-N 3.44Å; Q327-Q331 PolarHBondContact O-N 2.95Å
328	E	92.9	Very high	94.4	Very high	13 Å²	13	29.2 Å²	29.2	6%	0.061	14%	0.136	C	C	.	.	H	α-helix	trans	-67.9	-40.5	177.7	-72.9	152.4	158	0	0	111.1	Q324 S325 Q331 E332 L386 H581 S582	Q324-E328 HydrophobicContact CB-CB 4.34Å; S325-E328 VanDerWaalsContact CB-OE2 3.31Å; S325-E328 WeakPolarHBondContact CB-OE2 3.45Å; S325-E328 PolarHBondContact N-OE2 2.92Å; S325-E328 PolarHBondContact O-N 2.96Å; S325-E328 VanDerWaalsContact O-N 3.15Å; S325-E328 WeakPolarHBondContact OG-CG 3.45Å; S325-E328 PolarHBondContact OG-N 2.75Å; S325-E328 PolarHBondContact OG-OE2 3.22Å; E328-Q331 WeakPolarHBondContact O-CB 3.38Å; E328-Q331 PolarHBondContact O-N 2.87Å; E328-E332 PolarHBondContact O-N 2.8Å; E328-L386 HydrophobicContact CG-CD1 4.3Å; E328-H581 IonicContact OE1-CE1 2.77Å; E328-H581 IonicContact OE1-CG 2.76Å; E328-H581 IonicContact OE1-ND1 3.43Å; E328-H581 PolarHBondContact OE1-ND1 3.26Å; E328-S582 PolarHBondContact OE1-N 2.94Å
329	L	95.6	Very high	94.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-41.6	172.8	-67.3	168.2	0	0	0	111.8	K253 K305 V307 A320 Q324 S325 Q331 E332 L333	K253-L329 HydrophobicContact CD-CD2 3.83Å; K305-L329 HydrophobicContact CB-CD1 4.15Å; K305-L329 HydrophobicContact CD-CD1 4.43Å; V307-L329 HydrophobicContact CB-CB 4.2Å; V307-L329 HydrophobicContact CG1-CB 4.38Å; V307-L329 HydrophobicContact CG2-CB 3.92Å; V307-L329 HydrophobicContact CG2-CD1 3.82Å; A320-L329 HydrophobicContact CB-CD1 3.77Å; A320-L329 HydrophobicContact CB-CD2 3.76Å; A320-L329 HydrophobicContact CB-CG 4.44Å; Q324-L329 HydrophobicContact CB-CD2 4.07Å; Q324-L329 HydrophobicContact CB-CG 3.96Å; S325-L329 WeakPolarHBondContact O-CG 3.3Å; S325-L329 PolarHBondContact O-N 2.91Å; L329-Q331 VanDerWaalsContact C-N 3.28Å; L329-Q331 PolarHBondContact O-N 3.19Å; L329-E332 PolarHBondContact O-N 3.01Å; L329-L333 WeakPolarHBondContact O-CG 3.39Å; L329-L333 PolarHBondContact O-N 3.44Å
330	A	96.2	Very high	94.3	Very high	13 Å²	13	28 Å²	28	11%	0.107	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-35.3	174.1	0	0	0	0	0	112.2	V307 V309 A326 Q327 L333 L334	V307-A330 HydrophobicContact CG1-CB 3.96Å; V309-A330 HydrophobicContact CG2-CB 3.72Å; A326-A330 VanDerWaalsContact O-CB 3.3Å; A326-A330 WeakPolarHBondContact O-CB 3.3Å; A326-A330 PolarHBondContact O-N 3.35Å; Q327-A330 PolarHBondContact O-N 3.44Å; A330-L333 PolarHBondContact O-N 2.94Å; A330-L334 WeakPolarHBondContact O-CG 3.16Å; A330-L334 PolarHBondContact O-N 2.67Å
331	Q	94.7	Very high	94.3	Very high	66 Å²	66	28.2 Å²	28.2	31%	0.308	13%	0.13	S	C	.	.	H	α-helix	trans	-67.7	-40.2	174.5	-174.2	60.3	52.1	0	0	112.1	Q327 E328 L329 L334 Y335	Q327-Q331 PolarHBondContact O-N 2.95Å; E328-Q331 WeakPolarHBondContact O-CB 3.38Å; E328-Q331 PolarHBondContact O-N 2.87Å; L329-Q331 VanDerWaalsContact C-N 3.28Å; L329-Q331 PolarHBondContact O-N 3.19Å; Q331-L334 PolarHBondContact O-N 2.97Å; Q331-Y335 HydrophobicContact CG-CD2 4.31Å; Q331-Y335 HydrophobicContact CG-CE2 4.18Å; Q331-Y335 WeakPolarHBondContact O-CD2 3.48Å; Q331-Y335 PolarHBondContact O-N 3.04Å
332	E	96	Very high	94.5	Very high	14 Å²	14	22.2 Å²	22.2	7%	0.065	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-42.3	172.4	-68.6	-174.8	157.7	0	0	112	K253 Q324 E328 L329 L334 Y335 I336 M379	K253-E332 IonicContact NZ-OE1 2.69Å; K253-E332 PolarHBondContact NZ-OE1 2.95Å; K253-E332 IonicContact NZ-OE2 3.56Å; K253-E332 PolarHBondContact NZ-OE2 3.31Å; Q324-E332 VanDerWaalsContact NE2-CD 3.26Å; Q324-E332 PolarHBondContact NE2-OE1 3.03Å; E328-E332 PolarHBondContact O-N 2.8Å; L329-E332 PolarHBondContact O-N 3.01Å; E332-L334 VanDerWaalsContact C-N 3.3Å; E332-L334 PolarHBondContact O-N 2.9Å; E332-Y335 WeakPolarHBondContact O-CB 3.36Å; E332-Y335 PolarHBondContact O-N 2.92Å; E332-Y335 VanDerWaalsContact O-N 3.12Å; E332-I336 WeakPolarHBondContact O-CG1 3.44Å; E332-I336 PolarHBondContact O-N 3.1Å; E332-I336 VanDerWaalsContact O-N 3.12Å; E332-M379 HydrophobicContact CB-CE 3.99Å; E332-M379 HydrophobicContact CB-SD 3.91Å; E332-M379 HydrophobicContact CG-CE 4.26Å; E332-M379 HydrophobicContact CG-SD 3.81Å
333	L	97.8	Very high	94.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.8	-40.1	174.3	-66.6	177.1	0	0	0	111.4	V255 V307 V309 L316 A318 L329 A330 Y335 I336 Y337	V255-L333 HydrophobicContact CG1-CD2 3.52Å; V307-L333 HydrophobicContact CG1-CD1 4.3Å; V309-L333 HydrophobicContact CB-CB 4.06Å; V309-L333 HydrophobicContact CB-CD1 4.1Å; V309-L333 HydrophobicContact CG2-CB 3.95Å; V309-L333 HydrophobicContact CG2-CD1 3.86Å; L316-L333 HydrophobicContact CB-CB 4.16Å; L316-L333 HydrophobicContact CB-CD1 4.46Å; L316-L333 HydrophobicContact CB-CD2 4.14Å; L316-L333 HydrophobicContact CB-CG 4.48Å; L316-L333 WeakPolarHBondContact CD2-O 3.29Å; A318-L333 HydrophobicContact CB-CD1 3.99Å; A318-L333 HydrophobicContact CB-CD2 3.89Å; A318-L333 HydrophobicContact CB-CG 4.07Å; L329-L333 WeakPolarHBondContact O-CG 3.39Å; L329-L333 PolarHBondContact O-N 3.44Å; A330-L333 PolarHBondContact O-N 2.94Å; L333-Y335 VanDerWaalsContact C-N 3.35Å; L333-Y335 PolarHBondContact O-N 3.4Å; L333-I336 HydrophobicContact CD2-CD1 4.48Å; L333-I336 PolarHBondContact O-N 2.77Å; L333-Y337 PolarHBondContact O-N 3.2Å
334	L	97.4	Very high	95	Very high	7 Å²	7	14.5 Å²	14.5	4%	0.037	8%	0.077	C	C	.	.	H	α-helix	trans	-63.4	-37.2	173.3	-71.9	174	0	0	0	112.7	L157 V309 R311 A330 Q331 E332 I336 Y337 Y338	L157-L334 HydrophobicContact CD2-CD1 3.98Å; V309-L334 HydrophobicContact CG1-CD2 3.77Å; V309-L334 HydrophobicContact CG1-CG 4.21Å; R311-L334 HydrophobicContact CG-CD2 4.11Å; A330-L334 WeakPolarHBondContact O-CG 3.16Å; A330-L334 PolarHBondContact O-N 2.67Å; Q331-L334 PolarHBondContact O-N 2.97Å; E332-L334 VanDerWaalsContact C-N 3.3Å; E332-L334 PolarHBondContact O-N 2.9Å; L334-I336 VanDerWaalsContact C-N 3.29Å; L334-I336 PolarHBondContact O-N 3.42Å; L334-Y337 PolarHBondContact O-N 3.07Å; L334-Y338 HydrophobicContact CB-CD2 4.43Å; L334-Y338 HydrophobicContact CB-CE2 4.1Å; L334-Y338 WeakPolarHBondContact O-CD2 3.49Å; L334-Y338 VanDerWaalsContact O-CG 3.31Å; L334-Y338 PolarHBondContact O-N 3.45Å
335	Y	97.8	Very high	95.1	Very high	5 Å²	5	14.1 Å²	14.1	2%	0.02	8%	0.075	C	C	.	.	H	α-helix	trans	-59.7	-39.5	172.6	-91.7	-80.5	0	0	0	112.1	Q331 E332 L333 Y338 Q339 M379 F385 I440 H443	Q331-Y335 HydrophobicContact CG-CD2 4.31Å; Q331-Y335 HydrophobicContact CG-CE2 4.18Å; Q331-Y335 WeakPolarHBondContact O-CD2 3.48Å; Q331-Y335 PolarHBondContact O-N 3.04Å; E332-Y335 WeakPolarHBondContact O-CB 3.36Å; E332-Y335 PolarHBondContact O-N 2.92Å; E332-Y335 VanDerWaalsContact O-N 3.12Å; L333-Y335 VanDerWaalsContact C-N 3.35Å; L333-Y335 PolarHBondContact O-N 3.4Å; Y335-Y338 PolarHBondContact O-N 2.94Å; Y335-Q339 WeakPolarHBondContact O-CB 3.37Å; Y335-Q339 PolarHBondContact O-N 3.48Å; Y335-M379 VanDerWaalsContact CB-SD 3.6Å; Y335-M379 HydrophobicContact CD2-SD 4.01Å; Y335-M379 HydrophobicContact CG-SD 3.9Å; Y335-F385 HydrophobicContact CD1-CD1 4.09Å; Y335-F385 HydrophobicContact CD1-CE1 4.26Å; Y335-F385 HydrophobicContact CD2-CD1 4.49Å; Y335-F385 AromaticContact CE1-CD1 3.75Å; Y335-F385 HydrophobicContact CE1-CD1 3.75Å; Y335-F385 HydrophobicContact CE1-CE1 4.05Å; Y335-F385 HydrophobicContact CE2-CD1 4.19Å; Y335-F385 HydrophobicContact CG-CD1 4.46Å; Y335-F385 AromaticContact CZ-CD1 3.81Å; Y335-I440 HydrophobicContact CD1-CG2 4.12Å; Y335-I440 HydrophobicContact CE1-CB 4.09Å; Y335-I440 HydrophobicContact CE1-CG1 3.86Å; Y335-I440 HydrophobicContact CE1-CG2 3.91Å; Y335-I440 HydrophobicContact CE2-CG1 4.43Å; Y335-H443 HydrophobicContact CE1-CB 4.12Å; Y335-H443 AromaticContact CE1-ND1 3.7Å; Y335-H443 AromaticContact CZ-ND1 3.7Å; Y335-H443 PolarHBondContact OH-CE1 3Å; Y335-H443 PolarHBondContact OH-ND1 2.86Å; Y335-H443 VanDerWaalsContact OH-ND1 3.08Å
336	I	97.6	Very high	95.1	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-69.9	-41.2	177.7	-63.2	163.8	0	0	0	111.3	V255 V257 L316 E332 L333 L334 Y338 Q339 I340 T372 L376 M379	V255-I336 HydrophobicContact CB-CD1 4.39Å; V255-I336 HydrophobicContact CG1-CD1 3.57Å; V255-I336 HydrophobicContact CG2-CD1 4.45Å; V257-I336 HydrophobicContact CG2-CG2 3.74Å; L316-I336 HydrophobicContact CD2-CB 4.29Å; L316-I336 HydrophobicContact CD2-CG2 4.19Å; E332-I336 WeakPolarHBondContact O-CG1 3.44Å; E332-I336 PolarHBondContact O-N 3.1Å; E332-I336 VanDerWaalsContact O-N 3.12Å; L333-I336 HydrophobicContact CD2-CD1 4.48Å; L333-I336 PolarHBondContact O-N 2.77Å; L334-I336 VanDerWaalsContact C-N 3.29Å; L334-I336 PolarHBondContact O-N 3.42Å; I336-Y338 VanDerWaalsContact C-N 3.33Å; I336-Y338 PolarHBondContact O-N 3.4Å; I336-Q339 WeakPolarHBondContact O-CB 3.31Å; I336-Q339 PolarHBondContact O-N 3.04Å; I336-I340 PolarHBondContact O-N 3.28Å; I336-T372 HydrophobicContact CG1-CG2 4.49Å; I336-T372 HydrophobicContact CG2-CG2 3.97Å; I336-L376 HydrophobicContact CD1-CD1 4.1Å; I336-L376 HydrophobicContact CD1-CD2 3.95Å; I336-L376 HydrophobicContact CD1-CG 4.1Å; I336-M379 HydrophobicContact CD1-CE 4.43Å; I336-M379 HydrophobicContact CG1-CE 4.22Å
337	Y	97.6	Very high	94.9	Very high	29 Å²	29	13.4 Å²	13.4	11%	0.114	7%	0.072	C	C	.	.	H	α-helix	trans	-57.5	-46.3	171	173.8	-103.2	0	0	0	111.5	R311 L314 L316 L333 L334 Q339 I340 L341 L349	R311-Y337 HydrophobicContact CB-CD1 4.26Å; R311-Y337 HydrophobicContact CB-CD2 3.66Å; R311-Y337 HydrophobicContact CB-CE1 4.05Å; R311-Y337 HydrophobicContact CB-CE2 3.41Å; R311-Y337 VanDerWaalsContact CB-CE2 3.41Å; R311-Y337 HydrophobicContact CB-CG 4.07Å; R311-Y337 HydrophobicContact CG-CD1 4.06Å; R311-Y337 HydrophobicContact CG-CD2 4.24Å; R311-Y337 HydrophobicContact CG-CE1 4.07Å; R311-Y337 HydrophobicContact CG-CE2 4.26Å; R311-Y337 HydrophobicContact CG-CG 4.13Å; L314-Y337 HydrophobicContact CD1-CD2 4.23Å; L314-Y337 HydrophobicContact CD1-CE2 4.42Å; L316-Y337 HydrophobicContact CD1-CD2 4.26Å; L333-Y337 PolarHBondContact O-N 3.2Å; L334-Y337 PolarHBondContact O-N 3.07Å; Y337-Q339 VanDerWaalsContact C-N 3.33Å; Y337-Q339 PolarHBondContact O-N 2.73Å; Y337-I340 PolarHBondContact O-N 3.04Å; Y337-L341 HydrophobicContact CD1-CD1 4.3Å; Y337-L341 HydrophobicContact CD1-CG 4.39Å; Y337-L341 HydrophobicContact CE1-CD1 3.54Å; Y337-L341 HydrophobicContact CE1-CG 3.96Å; Y337-L341 HydrophobicContact CE2-CD2 4.27Å; Y337-L341 HydrophobicContact CE2-CG 4.38Å; Y337-L341 WeakPolarHBondContact O-CG 3.4Å; Y337-L341 PolarHBondContact O-N 3.47Å; Y337-L349 HydrophobicContact CE2-CD2 4.39Å
338	Y	97.7	Very high	94.8	Very high	20 Å²	20	11.7 Å²	11.7	8%	0.078	6%	0.064	C	C	.	.	H	α-helix	trans	-68.7	-29	176.7	-62.8	-48.1	0	0	0	112.9	L334 Y335 I336 L341 S342 I440 P467 K468	L334-Y338 HydrophobicContact CB-CD2 4.43Å; L334-Y338 HydrophobicContact CB-CE2 4.1Å; L334-Y338 WeakPolarHBondContact O-CD2 3.49Å; L334-Y338 VanDerWaalsContact O-CG 3.31Å; L334-Y338 PolarHBondContact O-N 3.45Å; Y335-Y338 PolarHBondContact O-N 2.94Å; I336-Y338 VanDerWaalsContact C-N 3.33Å; I336-Y338 PolarHBondContact O-N 3.4Å; Y338-L341 HydrophobicContact CD1-CD1 4.34Å; Y338-L341 CarbonylContact O-C 3.56Å; Y338-L341 PolarHBondContact O-N 3.1Å; Y338-S342 PolarHBondContact O-N 3.37Å; Y338-I440 HydrophobicContact CD2-CD1 4.14Å; Y338-I440 HydrophobicContact CD2-CG2 3.79Å; Y338-I440 HydrophobicContact CE2-CD1 3.96Å; Y338-I440 HydrophobicContact CG-CG2 4.25Å; Y338-P467 HydrophobicContact CD1-CB 3.59Å; Y338-P467 HydrophobicContact CD1-CG 4.39Å; Y338-P467 HydrophobicContact CE1-CB 4.35Å; Y338-P467 HydrophobicContact CG-CB 4.17Å; Y338-P467 WeakPolarHBondContact O-CG 3.43Å; Y338-K468 HydrophobicContact CE1-CD 4.09Å; Y338-K468 HydrophobicContact CE2-CD 4.09Å
339	Q	96.9	Very high	94.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.9	-44.7	171.4	-174.8	55	75.1	0	0	111.5	Y335 I336 Y337 S342 I371 L375 L444 N447	Y335-Q339 WeakPolarHBondContact O-CB 3.37Å; Y335-Q339 PolarHBondContact O-N 3.48Å; I336-Q339 WeakPolarHBondContact O-CB 3.31Å; I336-Q339 PolarHBondContact O-N 3.04Å; Y337-Q339 VanDerWaalsContact C-N 3.33Å; Y337-Q339 PolarHBondContact O-N 2.73Å; Q339-S342 PolarHBondContact NE2-OG 2.55Å; Q339-S342 PolarHBondContact O-N 2.5Å; Q339-S342 PolarHBondContact O-OG 3.32Å; Q339-I371 HydrophobicContact CG-CG2 4.35Å; Q339-L375 HydrophobicContact CB-CD2 3.67Å; Q339-L375 HydrophobicContact CG-CD2 3.97Å; Q339-L444 HydrophobicContact CB-CD2 3.92Å; Q339-N447 PolarHBondContact OE1-ND2 2.78Å
340	I	95.4	Very high	94.4	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.026	8%	0.079	C	C	.	.	H	α-helix	trans	-61	-45.4	172.8	-65.1	167.2	0	0	0	110.5	V257 L314 I336 Y337 S342 L343 L344 L361 L365	V257-I340 HydrophobicContact CG1-CD1 3.84Å; V257-I340 HydrophobicContact CG2-CD1 4.35Å; L314-I340 HydrophobicContact CD1-CD1 4.14Å; L314-I340 HydrophobicContact CD1-CG2 4.35Å; I336-I340 PolarHBondContact O-N 3.28Å; Y337-I340 PolarHBondContact O-N 3.04Å; I340-S342 VanDerWaalsContact C-N 3.29Å; I340-S342 PolarHBondContact O-N 3.31Å; I340-L343 PolarHBondContact O-N 2.91Å; I340-L344 PolarHBondContact O-N 2.81Å; I340-L344 VanDerWaalsContact O-N 3.13Å; I340-L361 HydrophobicContact CG2-CD2 4.49Å; I340-L365 HydrophobicContact CG1-CD1 4.22Å; I340-L365 HydrophobicContact CG2-CD1 4.09Å; I340-L365 HydrophobicContact CG2-CD2 4.45Å
341	L	95.3	Very high	94.1	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-63.6	-31.3	176.8	-66.7	-158.9	0	0	0	113.3	Y337 Y338 L343 L344 T345 L349 C465 P467 A471	Y337-L341 HydrophobicContact CD1-CD1 4.3Å; Y337-L341 HydrophobicContact CD1-CG 4.39Å; Y337-L341 HydrophobicContact CE1-CD1 3.54Å; Y337-L341 HydrophobicContact CE1-CG 3.96Å; Y337-L341 HydrophobicContact CE2-CD2 4.27Å; Y337-L341 HydrophobicContact CE2-CG 4.38Å; Y337-L341 WeakPolarHBondContact O-CG 3.4Å; Y337-L341 PolarHBondContact O-N 3.47Å; Y338-L341 HydrophobicContact CD1-CD1 4.34Å; Y338-L341 CarbonylContact O-C 3.56Å; Y338-L341 PolarHBondContact O-N 3.1Å; L341-L343 PolarHBondContact O-N 3.11Å; L341-L344 PolarHBondContact O-N 3.3Å; L341-T345 VanDerWaalsContact O-CA 3.24Å; L341-T345 WeakPolarHBondContact O-CA 3.23Å; L341-T345 PolarHBondContact O-N 3.28Å; L341-L349 HydrophobicContact CD2-CB 4.48Å; L341-L349 HydrophobicContact CD2-CD2 3.62Å; L341-C465 VanDerWaalsContact O-CB 3.25Å; L341-C465 WeakPolarHBondContact O-CB 3.41Å; L341-P467 HydrophobicContact CB-CB 4.1Å; L341-P467 HydrophobicContact CB-CG 3.75Å; L341-P467 HydrophobicContact CD1-CB 4.33Å; L341-A471 HydrophobicContact CD1-CB 4.47Å
342	S	95.7	Very high	93.9	Very high	7 Å²	7	13.2 Å²	13.2	5%	0.049	8%	0.075	C	C	.	.	H	α-helix	trans	-65.4	-24.4	177.9	73.7	0	0	0	0	113.1	Y338 Q339 I340 C465	Y338-S342 PolarHBondContact O-N 3.37Å; Q339-S342 PolarHBondContact NE2-OG 2.55Å; Q339-S342 PolarHBondContact O-N 2.5Å; Q339-S342 PolarHBondContact O-OG 3.32Å; I340-S342 VanDerWaalsContact C-N 3.29Å; I340-S342 PolarHBondContact O-N 3.31Å; S342-C465 WeakPolarHBondContact CA-O 2.99Å; S342-C465 WeakPolarHBondContact CB-O 3.43Å; S342-C465 PolarHBondContact O-N 3.04Å
343	L	92.6	Very high	93.6	Very high	9 Å²	9	13.3 Å²	13.3	5%	0.047	8%	0.075	C	C	.	.	H	α-helix	trans	-93.7	-31.5	-179.7	-62.1	168.6	0	0	0	113.2	I340 L341 L365 I371 F474	I340-L343 PolarHBondContact O-N 2.91Å; L341-L343 PolarHBondContact O-N 3.11Å; L343-L365 HydrophobicContact CB-CD2 4.49Å; L343-L365 HydrophobicContact CD1-CD2 4.21Å; L343-I371 HydrophobicContact CD2-CD1 4.27Å; L343-F474 WeakPolarHBondContact O-CZ 3.31Å
344	L	90.4	Very high	93.2	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-121.9	-9.4	-173.6	-63.8	179.1	0	0	0	115.6	F191 I340 L341 Q348 L361 L364 L365	F191-L344 HydrophobicContact CD2-CD2 4.29Å; I340-L344 PolarHBondContact O-N 2.81Å; I340-L344 VanDerWaalsContact O-N 3.13Å; L341-L344 PolarHBondContact O-N 3.3Å; L344-Q348 VanDerWaalsContact O-CB 3.23Å; L344-Q348 WeakPolarHBondContact O-CB 3.21Å; L344-Q348 WeakPolarHBondContact O-CG 3.28Å; L344-Q348 PolarHBondContact O-OE1 3.2Å; L344-L361 HydrophobicContact CD1-CD1 3.74Å; L344-L361 HydrophobicContact CD1-CG 4.41Å; L344-L364 HydrophobicContact CD1-CB 4.26Å; L344-L364 HydrophobicContact CD2-CB 4.2Å; L344-L365 HydrophobicContact CD1-CD2 3.7Å; L344-L365 HydrophobicContact CD1-CG 4.11Å; L344-L365 HydrophobicContact CG-CD2 4.03Å
345	T	92.7	Very high	92.7	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	60.5	155.2	-163.5	78.9	0	0	0	0	114.3	L341 A347 Q348 L349 C465 A471 F474	L341-T345 VanDerWaalsContact O-CA 3.24Å; L341-T345 WeakPolarHBondContact O-CA 3.23Å; L341-T345 PolarHBondContact O-N 3.28Å; T345-A347 VanDerWaalsContact C-N 3.32Å; T345-A347 PolarHBondContact OG1-N 3.44Å; T345-Q348 WeakPolarHBondContact OG1-CG 3.48Å; T345-Q348 PolarHBondContact OG1-N 2.83Å; T345-Q348 VanDerWaalsContact OG1-N 3.11Å; T345-L349 WeakPolarHBondContact O-CB 3.27Å; T345-L349 PolarHBondContact O-N 2.89Å; T345-C465 HydrophobicContact CG2-CB 3.76Å; T345-A471 WeakPolarHBondContact CB-O 3.36Å; T345-F474 HydrophobicContact CG2-CD1 4.04Å; T345-F474 HydrophobicContact CG2-CD2 3.67Å; T345-F474 HydrophobicContact CG2-CE1 3.99Å; T345-F474 HydrophobicContact CG2-CE2 3.62Å; T345-F474 HydrophobicContact CG2-CG 3.89Å; T345-F474 HydrophobicContact CG2-CZ 3.78Å
346	G	91.1	Very high	92.2	Very high	12 Å²	12	30.6 Å²	30.6	12%	0.124	15%	0.154	C	C	.	.	H	α-helix	trans	-66.8	-32.5	168.8	0	0	0	0	0	112.7	L349 S350 A471	G346-L349 PolarHBondContact O-N 2.94Å; G346-S350 WeakPolarHBondContact O-CB 3.49Å; G346-S350 PolarHBondContact O-N 3.22Å; G346-S350 PolarHBondContact O-OG 2.9Å; G346-S350 VanDerWaalsContact O-OG 3.04Å; G346-A471 PolarHBondContact N-O 2.86Å
347	A	89.3	Confident	91.5	Very high	24 Å²	24	37.5 Å²	37.5	20%	0.198	19%	0.186	C	C	.	.	H	α-helix	trans	-66.3	-47.5	-178.4	0	0	0	0	0	112.4	L180 T345 H351 A472	L180-A347 HydrophobicContact CD2-CB 3.97Å; T345-A347 VanDerWaalsContact C-N 3.32Å; T345-A347 PolarHBondContact OG1-N 3.44Å; A347-H351 VanDerWaalsContact O-CB 3.27Å; A347-H351 WeakPolarHBondContact O-CB 3.4Å; A347-H351 PolarHBondContact O-N 3.29Å; A347-A472 HydrophobicContact CB-CB 4.38Å; A347-A472 WeakPolarHBondContact CB-O 3.47Å
348	Q	89.2	Confident	90.9	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-68.3	-41.1	176.3	-55	176.4	-21.8	0	0	110.9	I187 L344 T345 S350 H351 I352	I187-Q348 HydrophobicContact CD1-CB 4.18Å; I187-Q348 HydrophobicContact CD1-CG 3.87Å; I187-Q348 HydrophobicContact CG1-CG 4.47Å; I187-Q348 VanDerWaalsContact CG2-OE1 3.31Å; L344-Q348 VanDerWaalsContact O-CB 3.23Å; L344-Q348 WeakPolarHBondContact O-CB 3.21Å; L344-Q348 WeakPolarHBondContact O-CG 3.28Å; L344-Q348 PolarHBondContact O-OE1 3.2Å; T345-Q348 WeakPolarHBondContact OG1-CG 3.48Å; T345-Q348 PolarHBondContact OG1-N 2.83Å; T345-Q348 VanDerWaalsContact OG1-N 3.11Å; Q348-S350 PolarHBondContact O-N 2.83Å; Q348-H351 PolarHBondContact O-N 3.19Å; Q348-I352 HydrophobicContact CB-CD1 4.38Å; Q348-I352 WeakPolarHBondContact O-CB 3.11Å; Q348-I352 WeakPolarHBondContact O-CD1 3.49Å; Q348-I352 WeakPolarHBondContact O-CG1 3.24Å; Q348-I352 PolarHBondContact O-N 2.99Å
349	L	91.8	Very high	90.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-56.4	-48.4	176.6	-176.8	66.2	0	0	0	111.6	P313 L314 Y337 L341 T345 G346 F353 L361	P313-L349 HydrophobicContact CG-CD1 4.1Å; P313-L349 HydrophobicContact CG-CD2 4.34Å; P313-L349 HydrophobicContact CG-CG 3.88Å; L314-L349 HydrophobicContact CD1-CD2 4.04Å; L314-L349 HydrophobicContact CG-CD2 4.39Å; Y337-L349 HydrophobicContact CE2-CD2 4.39Å; L341-L349 HydrophobicContact CD2-CB 4.48Å; L341-L349 HydrophobicContact CD2-CD2 3.62Å; T345-L349 WeakPolarHBondContact O-CB 3.27Å; T345-L349 PolarHBondContact O-N 2.89Å; G346-L349 PolarHBondContact O-N 2.94Å; L349-F353 HydrophobicContact CD1-CD2 4.03Å; L349-F353 HydrophobicContact CD1-CE2 3.83Å; L349-F353 WeakPolarHBondContact O-CD2 3.49Å; L349-F353 PolarHBondContact O-N 2.86Å; L349-L361 HydrophobicContact CD1-CD1 4.14Å; L349-L361 HydrophobicContact CD1-CD2 3.7Å
350	S	90.2	Very high	90	Very high	53 Å²	53	43.9 Å²	43.9	37%	0.371	22%	0.221	S	C	.	.	H	α-helix	trans	-61.8	-46	175.1	-62.4	0	0	0	0	112.1	G346 Q348 I352 F353 Q354	G346-S350 WeakPolarHBondContact O-CB 3.49Å; G346-S350 PolarHBondContact O-N 3.22Å; G346-S350 PolarHBondContact O-OG 2.9Å; G346-S350 VanDerWaalsContact O-OG 3.04Å; Q348-S350 PolarHBondContact O-N 2.83Å; S350-I352 PolarHBondContact O-N 2.78Å; S350-F353 PolarHBondContact O-N 2.79Å; S350-Q354 WeakPolarHBondContact O-CB 3.49Å; S350-Q354 WeakPolarHBondContact O-CG 3.35Å; S350-Q354 PolarHBondContact O-N 3.49Å
351	H	89.3	Confident	89.8	Confident	60 Å²	60	43.7 Å²	43.7	28%	0.278	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-43.5	-179.1	179.1	-105.4	0	0	0	112.8	A347 Q348 F353 Q354 Q355	A347-H351 VanDerWaalsContact O-CB 3.27Å; A347-H351 WeakPolarHBondContact O-CB 3.4Å; A347-H351 PolarHBondContact O-N 3.29Å; Q348-H351 PolarHBondContact O-N 3.19Å; H351-F353 PolarHBondContact O-N 3.13Å; H351-Q354 PolarHBondContact O-N 3.22Å; H351-Q355 PolarHBondContact CE1-NE2 2.98Å; H351-Q355 PolarHBondContact NE2-NE2 3.21Å; H351-Q355 WeakPolarHBondContact O-CG 3.3Å; H351-Q355 PolarHBondContact O-N 2.94Å
352	I	89.8	Confident	89.5	Confident	10 Å²	10	46.7 Å²	46.7	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-49.1	178	-70.8	158.3	0	0	0	110.6	Q348 S350 Q355 K356 Y359 L364	Q348-I352 HydrophobicContact CB-CD1 4.38Å; Q348-I352 WeakPolarHBondContact O-CB 3.11Å; Q348-I352 WeakPolarHBondContact O-CD1 3.49Å; Q348-I352 WeakPolarHBondContact O-CG1 3.24Å; Q348-I352 PolarHBondContact O-N 2.99Å; S350-I352 PolarHBondContact O-N 2.78Å; I352-Q355 PolarHBondContact O-N 2.73Å; I352-K356 PolarHBondContact O-N 2.9Å; I352-Y359 HydrophobicContact CG2-CD1 3.56Å; I352-Y359 HydrophobicContact CG2-CD2 4.19Å; I352-Y359 HydrophobicContact CG2-CE1 4.16Å; I352-Y359 HydrophobicContact CG2-CG 3.58Å; I352-L364 HydrophobicContact CD1-CD1 3.48Å; I352-L364 VanDerWaalsContact CD1-CD1 3.48Å; I352-L364 HydrophobicContact CG1-CD1 4.49Å
353	F	89.9	Confident	89.1	Confident	16 Å²	16	52.8 Å²	52.8	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-76.4	-25.7	-178.1	-80.5	-91.4	0	0	0	113.5	P313 L349 S350 H351 K356 Q357 L361	P313-F353 HydrophobicContact CB-CB 3.75Å; P313-F353 HydrophobicContact CB-CD1 3.73Å; P313-F353 HydrophobicContact CB-CD2 3.88Å; P313-F353 HydrophobicContact CB-CE1 4.29Å; P313-F353 HydrophobicContact CB-CE2 4.41Å; P313-F353 HydrophobicContact CB-CG 3.49Å; P313-F353 VanDerWaalsContact CB-CG 3.49Å; P313-F353 HydrophobicContact CG-CB 3.85Å; P313-F353 HydrophobicContact CG-CD1 4.16Å; P313-F353 HydrophobicContact CG-CD2 3.35Å; P313-F353 HydrophobicContact CG-CE2 3.87Å; P313-F353 HydrophobicContact CG-CG 3.5Å; P313-F353 VanDerWaalsContact CG-CG 3.5Å; P313-F353 HydrophobicContact CG-CZ 4.47Å; L349-F353 HydrophobicContact CD1-CD2 4.03Å; L349-F353 HydrophobicContact CD1-CE2 3.83Å; L349-F353 WeakPolarHBondContact O-CD2 3.49Å; L349-F353 PolarHBondContact O-N 2.86Å; S350-F353 PolarHBondContact O-N 2.79Å; H351-F353 PolarHBondContact O-N 3.13Å; F353-K356 CarbonylContact O-C 3.2Å; F353-Q357 WeakPolarHBondContact CD1-O 3.37Å; F353-Q357 WeakPolarHBondContact CE1-O 3.36Å; F353-Q357 WeakPolarHBondContact O-CA 3.21Å; F353-Q357 VanDerWaalsContact O-CG 3.32Å; F353-Q357 WeakPolarHBondContact O-CG 3.34Å; F353-Q357 PolarHBondContact O-N 3.32Å; F353-Q357 VanDerWaalsContact O-N 3.15Å; F353-L361 HydrophobicContact CE2-CD1 4.36Å; F353-L361 HydrophobicContact CE2-CD2 4.35Å; F353-L361 HydrophobicContact CZ-CB 4.47Å
354	Q	88.8	Confident	88.8	Confident	151 Å²	151	52.8 Å²	52.8	71%	0.706	25%	0.253	S	S	*	.	H	α-helix	trans	-65.5	-42.2	168.6	-76.6	170.8	9.9	0	0	111.9	S350 H351	S350-Q354 WeakPolarHBondContact O-CB 3.49Å; S350-Q354 WeakPolarHBondContact O-CG 3.35Å; S350-Q354 PolarHBondContact O-N 3.49Å; H351-Q354 PolarHBondContact O-N 3.22Å
355	Q	88.3	Confident	88.6	Confident	116 Å²	116	53.3 Å²	53.3	54%	0.542	26%	0.256	S	S	.	.	H	α-helix	trans	-74.8	-39.5	176.4	-68.9	-167.3	-9.7	0	0	112.8	H351 I352	H351-Q355 PolarHBondContact CE1-NE2 2.98Å; H351-Q355 PolarHBondContact NE2-NE2 3.21Å; H351-Q355 WeakPolarHBondContact O-CG 3.3Å; H351-Q355 PolarHBondContact O-N 2.94Å; I352-Q355 PolarHBondContact O-N 2.73Å
356	K	86.6	Confident	88.2	Confident	107 Å²	107	55.2 Å²	55.2	47%	0.465	27%	0.269	S	S	.	.			trans	-143	86.4	-174.1	-67.5	-178.8	-176.9	174.5	0	110.3	I352 F353 N358 Y359	I352-K356 PolarHBondContact O-N 2.9Å; F353-K356 CarbonylContact O-C 3.2Å; K356-N358 PolarHBondContact O-N 3.08Å; K356-N358 VanDerWaalsContact O-N 3.08Å; K356-Y359 HydrophobicContact CD-CD2 4.27Å; K356-Y359 VanDerWaalsContact O-CB 3.27Å; K356-Y359 WeakPolarHBondContact O-CB 3.4Å; K356-Y359 PolarHBondContact O-N 2.76Å
357	Q	83.7	Confident	87.8	Confident	146 Å²	146	55.4 Å²	55.4	68%	0.682	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-32	177.8	-65.6	177.6	-1.9	0	0	113.4	F353	F353-Q357 WeakPolarHBondContact CD1-O 3.37Å; F353-Q357 WeakPolarHBondContact CE1-O 3.36Å; F353-Q357 WeakPolarHBondContact O-CA 3.21Å; F353-Q357 VanDerWaalsContact O-CG 3.32Å; F353-Q357 WeakPolarHBondContact O-CG 3.34Å; F353-Q357 PolarHBondContact O-N 3.32Å; F353-Q357 VanDerWaalsContact O-N 3.15Å
358	N	85	Confident	87.7	Confident	110 Å²	110	54.5 Å²	54.5	59%	0.588	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	24.7	178.1	-67.9	-21.3	0	0	0	113.6	A261 K263 K356	A261-N358 WeakPolarHBondContact CB-OD1 3.49Å; K263-N358 WeakPolarHBondContact CE-O 3.48Å; K263-N358 PolarHBondContact NZ-O 2.85Å; K356-N358 PolarHBondContact O-N 3.08Å; K356-N358 VanDerWaalsContact O-N 3.08Å
359	Y	88	Confident	87.7	Confident	40 Å²	40	57.3 Å²	57.3	16%	0.157	28%	0.277	C	S	.	.			trans	-63.2	147	173.8	-168.6	-95.7	0	0	0	111.5	I352 K356 L364	I352-Y359 HydrophobicContact CG2-CD1 3.56Å; I352-Y359 HydrophobicContact CG2-CD2 4.19Å; I352-Y359 HydrophobicContact CG2-CE1 4.16Å; I352-Y359 HydrophobicContact CG2-CG 3.58Å; K356-Y359 HydrophobicContact CD-CD2 4.27Å; K356-Y359 VanDerWaalsContact O-CB 3.27Å; K356-Y359 WeakPolarHBondContact O-CB 3.4Å; K356-Y359 PolarHBondContact O-N 2.76Å; Y359-L364 HydrophobicContact CE1-CD1 3.64Å; Y359-L364 HydrophobicContact CE1-CG 3.92Å; Y359-L364 WeakPolarHBondContact OH-CG 3.04Å
360	D	87.7	Confident	87.6	Confident	33 Å²	33	65.6 Å²	65.6	18%	0.176	31%	0.308	C	S	.	.			trans	-98.2	100.4	174.1	-170.4	-18.5	0	0	0	109.3	R362 R363	D360-R362 PolarHBondContact O-N 3.06Å; D360-R362 VanDerWaalsContact OD1-CB 3.29Å; D360-R362 WeakPolarHBondContact OD1-CB 3.19Å; D360-R362 WeakPolarHBondContact OD1-CG 3.24Å; D360-R362 IonicContact OD1-CZ 2.74Å; D360-R362 PolarHBondContact OD1-N 2.77Å; D360-R362 VanDerWaalsContact OD1-N 3.15Å; D360-R362 IonicContact OD1-NE 3.85Å; D360-R362 PolarHBondContact OD1-NE 3.27Å; D360-R362 VanDerWaalsContact OD1-NE 3.07Å; D360-R362 IonicContact OD2-CZ 3.41Å; D360-R362 IonicContact OD2-NE 3.62Å; D360-R362 PolarHBondContact OD2-NE 2.77Å; D360-R362 IonicContact OD2-NH2 2.84Å; D360-R362 PolarHBondContact OD2-NH2 3.31Å; D360-R363 HydrophobicContact CB-CG 4.44Å; D360-R363 PolarHBondContact O-N 2.85Å
361	L	90	Very high	87.8	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19	-174	-166.2	62	0	0	0	112.9	V265 L314 I340 L344 L349 F353 R363 L364 L365	V265-L361 HydrophobicContact CG1-CB 4.22Å; V265-L361 HydrophobicContact CG1-CD2 3.94Å; V265-L361 HydrophobicContact CG1-CG 4.33Å; V265-L361 HydrophobicContact CG2-CB 4.08Å; V265-L361 HydrophobicContact CG2-CD2 4.47Å; L314-L361 HydrophobicContact CD1-CD2 4.45Å; L314-L361 HydrophobicContact CD2-CD2 4.07Å; I340-L361 HydrophobicContact CG2-CD2 4.49Å; L344-L361 HydrophobicContact CD1-CD1 3.74Å; L344-L361 HydrophobicContact CD1-CG 4.41Å; L349-L361 HydrophobicContact CD1-CD1 4.14Å; L349-L361 HydrophobicContact CD1-CD2 3.7Å; F353-L361 HydrophobicContact CE2-CD1 4.36Å; F353-L361 HydrophobicContact CE2-CD2 4.35Å; F353-L361 HydrophobicContact CZ-CB 4.47Å; L361-R363 PolarHBondContact O-N 2.91Å; L361-L364 HydrophobicContact CD1-CB 4.42Å; L361-L364 HydrophobicContact CD1-CD1 4.29Å; L361-L364 PolarHBondContact O-N 3.46Å; L361-L365 HydrophobicContact CD2-CD1 4.06Å; L361-L365 HydrophobicContact CG-CD1 3.92Å; L361-L365 HydrophobicContact CG-CG 4.33Å; L361-L365 PolarHBondContact O-N 2.87Å
362	R	89.2	Confident	88.1	Confident	67 Å²	67	60.8 Å²	60.8	25%	0.253	28%	0.28	S	S	.	.	H	α-helix	trans	-56.5	-33.3	175.7	-60.2	-179.8	-62.7	152.6	3.6	111.5	P264 E273 D360 L364 L365 S366	P264-R362 WeakPolarHBondContact O-CD 3.21Å; P264-R362 WeakPolarHBondContact O-CG 3.28Å; E273-R362 VanDerWaalsContact CG-NH1 3.33Å; E273-R362 IonicContact OE1-CZ 3.12Å; E273-R362 IonicContact OE1-NH1 2.79Å; E273-R362 PolarHBondContact OE1-NH1 3.43Å; E273-R362 IonicContact OE1-NH2 3.85Å; D360-R362 PolarHBondContact O-N 3.06Å; D360-R362 VanDerWaalsContact OD1-CB 3.29Å; D360-R362 WeakPolarHBondContact OD1-CB 3.19Å; D360-R362 WeakPolarHBondContact OD1-CG 3.24Å; D360-R362 IonicContact OD1-CZ 2.74Å; D360-R362 PolarHBondContact OD1-N 2.77Å; D360-R362 VanDerWaalsContact OD1-N 3.15Å; D360-R362 IonicContact OD1-NE 3.85Å; D360-R362 PolarHBondContact OD1-NE 3.27Å; D360-R362 VanDerWaalsContact OD1-NE 3.07Å; D360-R362 IonicContact OD2-CZ 3.41Å; D360-R362 IonicContact OD2-NE 3.62Å; D360-R362 PolarHBondContact OD2-NE 2.77Å; D360-R362 IonicContact OD2-NH2 2.84Å; D360-R362 PolarHBondContact OD2-NH2 3.31Å; R362-L364 PolarHBondContact O-N 2.99Å; R362-L365 PolarHBondContact O-N 3.27Å; R362-L365 VanDerWaalsContact O-N 3.14Å; R362-S366 PolarHBondContact O-N 2.78Å
363	R	87.9	Confident	88.3	Confident	136 Å²	136	62.7 Å²	62.7	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-23.7	178	-56.4	-173.4	99.9	-179.9	3	113.6	E208 D360 L361	E208-R363 IonicContact OE2-CZ 2.8Å; E208-R363 IonicContact OE2-NH2 2.72Å; E208-R363 PolarHBondContact OE2-NH2 2.88Å; D360-R363 HydrophobicContact CB-CG 4.44Å; D360-R363 PolarHBondContact O-N 2.85Å; L361-R363 PolarHBondContact O-N 2.91Å
364	L	85.7	Confident	88.6	Confident	8 Å²	8	63.6 Å²	63.6	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-104	-2.5	176.5	-64.8	175.3	0	0	0	113.7	F191 L344 I352 Y359 L361 R362	F191-L364 WeakPolarHBondContact CD2-O 3.39Å; F191-L364 WeakPolarHBondContact CE1-O 3.32Å; F191-L364 WeakPolarHBondContact CE2-O 3.3Å; F191-L364 WeakPolarHBondContact CZ-O 3.41Å; L344-L364 HydrophobicContact CD1-CB 4.26Å; L344-L364 HydrophobicContact CD2-CB 4.2Å; I352-L364 HydrophobicContact CD1-CD1 3.48Å; I352-L364 VanDerWaalsContact CD1-CD1 3.48Å; I352-L364 HydrophobicContact CG1-CD1 4.49Å; Y359-L364 HydrophobicContact CE1-CD1 3.64Å; Y359-L364 HydrophobicContact CE1-CG 3.92Å; Y359-L364 WeakPolarHBondContact OH-CG 3.04Å; L361-L364 HydrophobicContact CD1-CB 4.42Å; L361-L364 HydrophobicContact CD1-CD1 4.29Å; L361-L364 PolarHBondContact O-N 3.46Å; R362-L364 PolarHBondContact O-N 2.99Å
365	L	86.8	Confident	89	Confident	14 Å²	14	56.4 Å²	56.4	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-117.6	-3.9	178.1	-66.5	176.5	0	0	0	112.6	V265 I340 L343 L344 L361 R362 G367 S368	V265-L365 HydrophobicContact CG1-CD1 3.8Å; I340-L365 HydrophobicContact CG1-CD1 4.22Å; I340-L365 HydrophobicContact CG2-CD1 4.09Å; I340-L365 HydrophobicContact CG2-CD2 4.45Å; L343-L365 HydrophobicContact CB-CD2 4.49Å; L343-L365 HydrophobicContact CD1-CD2 4.21Å; L344-L365 HydrophobicContact CD1-CD2 3.7Å; L344-L365 HydrophobicContact CD1-CG 4.11Å; L344-L365 HydrophobicContact CG-CD2 4.03Å; L361-L365 HydrophobicContact CD2-CD1 4.06Å; L361-L365 HydrophobicContact CG-CD1 3.92Å; L361-L365 HydrophobicContact CG-CG 4.33Å; L361-L365 PolarHBondContact O-N 2.87Å; R362-L365 PolarHBondContact O-N 3.27Å; R362-L365 VanDerWaalsContact O-N 3.14Å; L365-G367 PolarHBondContact O-N 2.9Å; L365-S368 WeakPolarHBondContact O-CB 3.43Å; L365-S368 PolarHBondContact O-N 3.06Å; L365-S368 PolarHBondContact O-OG 2.94Å
366	S	84.1	Confident	89.3	Confident	42 Å²	42	50.9 Å²	50.9	29%	0.294	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	129.5	-179.9	-170.8	0	0	0	0	111.9	R203 R362 E369	R203-S366 PolarHBondContact NH1-OG 3.32Å; R362-S366 PolarHBondContact O-N 2.78Å; S366-E369 VanDerWaalsContact CA-OE1 3.28Å; S366-E369 WeakPolarHBondContact CA-OE1 3.39Å
367	G	83.1	Confident	89.7	Confident	17 Å²	17	50.5 Å²	50.5	18%	0.175	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-11.6	-172.8	0	0	0	0	0	114.4	L365 E369	L365-G367 PolarHBondContact O-N 2.9Å; G367-E369 WeakPolarHBondContact CA-OE2 3.47Å; G367-E369 VanDerWaalsContact N-CD 3.27Å; G367-E369 PolarHBondContact N-OE1 3.27Å; G367-E369 PolarHBondContact N-OE2 3.28Å
368	S	86.5	Confident	90.2	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.028	21%	0.213	C	C	.	.			trans	-97.2	0.4	177.1	76.5	0	0	0	0	114.3	L365 R370 I371 T372	L365-S368 WeakPolarHBondContact O-CB 3.43Å; L365-S368 PolarHBondContact O-N 3.06Å; L365-S368 PolarHBondContact O-OG 2.94Å; S368-R370 VanDerWaalsContact C-N 3.27Å; S368-R370 PolarHBondContact O-N 2.95Å; S368-I371 WeakPolarHBondContact O-CB 3.41Å; S368-I371 PolarHBondContact O-N 3.48Å; S368-T372 PolarHBondContact O-N 3.49Å
369	E	88.8	Confident	90.7	Very high	72 Å²	72	40.3 Å²	40.3	34%	0.336	19%	0.186	S	C	.	.	H	α-helix	trans	-57.9	-42.9	-177.2	-48.7	83.4	174.6	0	0	110.6	S366 G367 I371 T372 D373	S366-E369 VanDerWaalsContact CA-OE1 3.28Å; S366-E369 WeakPolarHBondContact CA-OE1 3.39Å; G367-E369 WeakPolarHBondContact CA-OE2 3.47Å; G367-E369 VanDerWaalsContact N-CD 3.27Å; G367-E369 PolarHBondContact N-OE1 3.27Å; G367-E369 PolarHBondContact N-OE2 3.28Å; E369-I371 PolarHBondContact O-N 3.47Å; E369-I371 VanDerWaalsContact O-N 3.15Å; E369-T372 CarbonylContact O-C 3.24Å; E369-T372 WeakPolarHBondContact O-CA 3.2Å; E369-T372 WeakPolarHBondContact O-CB 3.16Å; E369-T372 PolarHBondContact O-N 3.17Å; E369-D373 PolarHBondContact O-N 2.94Å
370	R	91	Very high	90.8	Very high	175 Å²	175	39.7 Å²	39.7	66%	0.66	19%	0.19	S	C	*	.	H	α-helix	trans	-54.7	-34.3	177	-62.7	-176.8	-175.7	178.4	3.7	113.4	S368 N374	S368-R370 VanDerWaalsContact C-N 3.27Å; S368-R370 PolarHBondContact O-N 2.95Å; R370-N374 VanDerWaalsContact O-CB 3.27Å; R370-N374 WeakPolarHBondContact O-CB 3.43Å; R370-N374 PolarHBondContact O-N 3Å
371	I	93.8	Very high	91	Very high	4 Å²	4	45 Å²	45	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-69.7	-40.7	178.6	-55.7	177.5	0	0	0	109.6	L198 Q339 L343 S368 E369 L375 N447 L448	L198-I371 HydrophobicContact CD1-CD1 3.81Å; L198-I371 HydrophobicContact CD2-CD1 4.03Å; Q339-I371 HydrophobicContact CG-CG2 4.35Å; L343-I371 HydrophobicContact CD2-CD1 4.27Å; S368-I371 WeakPolarHBondContact O-CB 3.41Å; S368-I371 PolarHBondContact O-N 3.48Å; E369-I371 PolarHBondContact O-N 3.47Å; E369-I371 VanDerWaalsContact O-N 3.15Å; I371-L375 PolarHBondContact O-N 2.26Å; I371-N447 WeakPolarHBondContact CG2-ND2 3.25Å; I371-N447 PolarHBondContact O-ND2 2.95Å; I371-N447 PolarHBondContact O-OD1 3.05Å; I371-L448 HydrophobicContact CD1-CD1 4.14Å
372	T	95.1	Very high	91.2	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.043	21%	0.212	C	C	.	.	H	α-helix	trans	-71.6	-38.7	177	-55.3	0	0	0	0	111.6	Y266 I336 S368 E369 L375 L376	Y266-T372 HydrophobicContact CD1-CG2 4.16Å; Y266-T372 HydrophobicContact CD2-CG2 4.45Å; Y266-T372 HydrophobicContact CE1-CG2 3.72Å; Y266-T372 HydrophobicContact CE2-CG2 4.04Å; I336-T372 HydrophobicContact CG1-CG2 4.49Å; I336-T372 HydrophobicContact CG2-CG2 3.97Å; S368-T372 PolarHBondContact O-N 3.49Å; E369-T372 CarbonylContact O-C 3.24Å; E369-T372 WeakPolarHBondContact O-CA 3.2Å; E369-T372 WeakPolarHBondContact O-CB 3.16Å; E369-T372 PolarHBondContact O-N 3.17Å; T372-L375 WeakPolarHBondContact O-CB 3.34Å; T372-L375 PolarHBondContact O-N 3.29Å; T372-L376 HydrophobicContact CG2-CD1 4.35Å; T372-L376 PolarHBondContact O-N 3.12Å
373	D	94.9	Very high	91.4	Very high	50 Å²	50	43.3 Å²	43.3	27%	0.267	20%	0.204	S	C	.	.	H	α-helix	trans	-61.8	-46.5	174.5	-65.9	-25.6	0	0	0	111.8	Y266 E369 L376 Q377	Y266-D373 PolarHBondContact OH-OD1 3.44Å; E369-D373 PolarHBondContact O-N 2.94Å; D373-L376 WeakPolarHBondContact O-CB 3.41Å; D373-L376 PolarHBondContact O-N 3.23Å; D373-Q377 WeakPolarHBondContact O-CG 3.4Å; D373-Q377 PolarHBondContact O-N 2.81Å
374	N	95.9	Very high	91.7	Very high	35 Å²	35	36.9 Å²	36.9	19%	0.187	18%	0.18	C	C	.	.	H	α-helix	trans	-63.6	-40.4	177	-172.9	64.6	0	0	0	111.2	R370 L376 Q377 L378 N447 S450 S451	R370-N374 VanDerWaalsContact O-CB 3.27Å; R370-N374 WeakPolarHBondContact O-CB 3.43Å; R370-N374 PolarHBondContact O-N 3Å; N374-L376 VanDerWaalsContact C-N 3.3Å; N374-L376 PolarHBondContact O-N 2.99Å; N374-Q377 PolarHBondContact O-N 2.99Å; N374-Q377 VanDerWaalsContact O-N 3.16Å; N374-L378 WeakPolarHBondContact O-CB 3.34Å; N374-L378 VanDerWaalsContact O-CG 3.31Å; N374-L378 WeakPolarHBondContact O-CG 3.18Å; N374-L378 PolarHBondContact O-N 3.44Å; N374-N447 PolarHBondContact ND2-OD1 3.43Å; N374-S450 PolarHBondContact ND2-OG 3.12Å; N374-S450 VanDerWaalsContact ND2-OG 3.07Å; N374-S451 WeakPolarHBondContact CB-OG 3.47Å; N374-S451 PolarHBondContact ND2-OG 3.25Å
375	L	96.7	Very high	92.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.3	-43	173.5	-170.4	61.3	0	0	0	111.8	Q339 I371 T372 L378 M379 F385 L444 N447	Q339-L375 HydrophobicContact CB-CD2 3.67Å; Q339-L375 HydrophobicContact CG-CD2 3.97Å; I371-L375 PolarHBondContact O-N 2.26Å; T372-L375 WeakPolarHBondContact O-CB 3.34Å; T372-L375 PolarHBondContact O-N 3.29Å; L375-L378 PolarHBondContact O-N 2.66Å; L375-M379 HydrophobicContact CG-CE 4.23Å; L375-M379 WeakPolarHBondContact O-CB 3.19Å; L375-M379 VanDerWaalsContact O-CG 3.3Å; L375-M379 WeakPolarHBondContact O-CG 3.45Å; L375-M379 PolarHBondContact O-N 3.23Å; L375-F385 HydrophobicContact CD1-CE1 3.63Å; L375-F385 HydrophobicContact CD1-CZ 4.03Å; L375-L444 HydrophobicContact CD2-CD2 4Å; L375-N447 HydrophobicContact CD1-CB 4.05Å; L375-N447 PolarHBondContact N-OD1 3.39Å; L375-N447 VanDerWaalsContact N-OD1 3.17Å
376	L	95.6	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.9	-33.9	177.3	-86.9	158.3	0	0	0	113.2	V255 Y266 R268 I336 T372 D373 N374 M379 A380	V255-L376 HydrophobicContact CG2-CD2 3.97Å; Y266-L376 HydrophobicContact CE1-CD1 3.96Å; Y266-L376 VanDerWaalsContact OH-CD1 3.28Å; Y266-L376 WeakPolarHBondContact OH-CD1 3.34Å; R268-L376 HydrophobicContact CB-CD1 4.36Å; R268-L376 HydrophobicContact CG-CD1 4.03Å; I336-L376 HydrophobicContact CD1-CD1 4.1Å; I336-L376 HydrophobicContact CD1-CD2 3.95Å; I336-L376 HydrophobicContact CD1-CG 4.1Å; T372-L376 HydrophobicContact CG2-CD1 4.35Å; T372-L376 PolarHBondContact O-N 3.12Å; D373-L376 WeakPolarHBondContact O-CB 3.41Å; D373-L376 PolarHBondContact O-N 3.23Å; N374-L376 VanDerWaalsContact C-N 3.3Å; N374-L376 PolarHBondContact O-N 2.99Å; L376-M379 HydrophobicContact CD2-CE 3.9Å; L376-M379 HydrophobicContact CG-CE 4.1Å; L376-A380 WeakPolarHBondContact O-CB 3.41Å; L376-A380 PolarHBondContact O-N 3.5Å
377	Q	94.4	Very high	93	Very high	99 Å²	99	35.9 Å²	35.9	46%	0.463	17%	0.171	S	C	.	.	H	α-helix	trans	-70.7	-43.1	172.2	-67.9	176.1	32.9	0	0	111.5	D373 N374 A380 R381	D373-Q377 WeakPolarHBondContact O-CG 3.4Å; D373-Q377 PolarHBondContact O-N 2.81Å; N374-Q377 PolarHBondContact O-N 2.99Å; N374-Q377 VanDerWaalsContact O-N 3.16Å; Q377-A380 PolarHBondContact O-N 3.07Å; Q377-R381 PolarHBondContact O-N 3.26Å
378	L	94.7	Very high	93.5	Very high	35 Å²	35	36.6 Å²	36.6	18%	0.183	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-45.1	176	-72.6	176.2	0	0	0	111.7	N374 L375 A380 R381 D382 F385 N447	N374-L378 WeakPolarHBondContact O-CB 3.34Å; N374-L378 VanDerWaalsContact O-CG 3.31Å; N374-L378 WeakPolarHBondContact O-CG 3.18Å; N374-L378 PolarHBondContact O-N 3.44Å; L375-L378 PolarHBondContact O-N 2.66Å; L378-A380 PolarHBondContact O-N 3.09Å; L378-R381 PolarHBondContact O-N 3.17Å; L378-D382 PolarHBondContact O-N 3.09Å; L378-F385 HydrophobicContact CB-CE2 3.65Å; L378-F385 HydrophobicContact CB-CZ 3.83Å; L378-N447 HydrophobicContact CD1-CB 4.34Å
379	M	94.2	Very high	93.9	Very high	7 Å²	7	36.4 Å²	36.4	3%	0.034	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-28.6	174.3	-73.9	-168.7	-62.1	0	0	113.3	E332 Y335 I336 L375 L376 F385	E332-M379 HydrophobicContact CB-CE 3.99Å; E332-M379 HydrophobicContact CB-SD 3.91Å; E332-M379 HydrophobicContact CG-CE 4.26Å; E332-M379 HydrophobicContact CG-SD 3.81Å; Y335-M379 VanDerWaalsContact CB-SD 3.6Å; Y335-M379 HydrophobicContact CD2-SD 4.01Å; Y335-M379 HydrophobicContact CG-SD 3.9Å; I336-M379 HydrophobicContact CD1-CE 4.43Å; I336-M379 HydrophobicContact CG1-CE 4.22Å; L375-M379 HydrophobicContact CG-CE 4.23Å; L375-M379 WeakPolarHBondContact O-CB 3.19Å; L375-M379 VanDerWaalsContact O-CG 3.3Å; L375-M379 WeakPolarHBondContact O-CG 3.45Å; L375-M379 PolarHBondContact O-N 3.23Å; L376-M379 HydrophobicContact CD2-CE 3.9Å; L376-M379 HydrophobicContact CG-CE 4.1Å; M379-F385 HydrophobicContact CB-CG 4.31Å; M379-F385 HydrophobicContact CG-CB 3.97Å; M379-F385 HydrophobicContact CG-CD1 3.46Å; M379-F385 VanDerWaalsContact CG-CD1 3.46Å; M379-F385 HydrophobicContact CG-CD2 4.12Å; M379-F385 HydrophobicContact CG-CE1 3.92Å; M379-F385 HydrophobicContact CG-CG 3.56Å; M379-F385 HydrophobicContact CG-CZ 4.45Å; M379-F385 HydrophobicContact SD-CD1 4.3Å
380	A	91.6	Very high	94.1	Very high	28 Å²	28	33 Å²	33	23%	0.231	16%	0.161	C	C	.	.	H	α-helix	trans	-79.4	-20.6	178.1	0	0	0	0	0	113.9	L376 Q377 L378 L574	L376-A380 WeakPolarHBondContact O-CB 3.41Å; L376-A380 PolarHBondContact O-N 3.5Å; Q377-A380 PolarHBondContact O-N 3.07Å; L378-A380 PolarHBondContact O-N 3.09Å; A380-L574 WeakPolarHBondContact O-CD2 3.39Å
381	R	91.7	Very high	94.3	Very high	145 Å²	145	25.8 Å²	25.8	55%	0.547	13%	0.134	S	C	.	.	H	α-helix	trans	-120	-36.5	-173.5	-66.2	-177	178.2	164.8	-2.1	114.8	Q377 L378 E567	Q377-R381 PolarHBondContact O-N 3.26Å; L378-R381 PolarHBondContact O-N 3.17Å; R381-E567 IonicContact CZ-OE1 3.63Å; R381-E567 IonicContact CZ-OE2 3.48Å; R381-E567 IonicContact NE-OE1 3.97Å; R381-E567 PolarHBondContact NE-OE1 3.37Å; R381-E567 IonicContact NH2-OE1 2.82Å; R381-E567 PolarHBondContact NH2-OE1 2.86Å; R381-E567 IonicContact NH2-OE2 2.76Å; R381-E567 PolarHBondContact NH2-OE2 2.92Å; R381-E567 VanDerWaalsContact NH2-OE2 3.11Å
382	D	93.2	Very high	94.3	Very high	18 Å²	18	25.9 Å²	25.9	10%	0.096	13%	0.134	C	C	.	.			trans	-93	122.5	-177.3	-170.8	8.3	0	0	0	112.2	L378 S384 F385 R391 N424	L378-D382 PolarHBondContact O-N 3.09Å; D382-S384 PolarHBondContact O-N 2.89Å; D382-S384 PolarHBondContact OD1-N 2.84Å; D382-S384 WeakPolarHBondContact OD2-CB 3.49Å; D382-S384 PolarHBondContact OD2-OG 2.95Å; D382-F385 HydrophobicContact CB-CD2 4.27Å; D382-F385 HydrophobicContact CB-CE2 4.26Å; D382-R391 IonicContact OD1-CZ 3.72Å; D382-R391 IonicContact OD1-NH1 3.45Å; D382-R391 PolarHBondContact OD1-NH1 2.81Å; D382-R391 IonicContact OD1-NH2 3.75Å; D382-R391 PolarHBondContact OD1-NH2 2.88Å; D382-R391 IonicContact OD2-NH1 2.73Å; D382-R391 PolarHBondContact OD2-NH1 3.32Å; D382-N424 PolarHBondContact OD2-ND2 2.81Å
383	P	94.1	Very high	94.3	Very high	13 Å²	13	25.5 Å²	25.5	8%	0.084	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-10.4	174.6	24.8	-36.7	0	0	0	115	F385 L386 M387 L546 F555 L574	P383-F385 VanDerWaalsContact C-N 3.28Å; P383-F385 PolarHBondContact O-N 3.31Å; P383-L386 PolarHBondContact O-N 3.08Å; P383-M387 WeakPolarHBondContact O-CB 3.31Å; P383-M387 VanDerWaalsContact O-CG 3.23Å; P383-M387 WeakPolarHBondContact O-CG 3.31Å; P383-M387 PolarHBondContact O-N 2.82Å; P383-L546 HydrophobicContact CB-CD1 3.78Å; P383-L546 HydrophobicContact CB-CD2 3.81Å; P383-L546 HydrophobicContact CB-CG 4.48Å; P383-L546 HydrophobicContact CG-CD2 3.74Å; P383-F555 HydrophobicContact CB-CE2 4.4Å; P383-F555 HydrophobicContact CG-CE2 3.98Å; P383-F555 HydrophobicContact CG-CZ 4.29Å; P383-L574 HydrophobicContact CB-CD1 4.02Å
384	S	94.6	Very high	94.3	Very high	2 Å²	2	24 Å²	24	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-51.7	-44	176.7	58.5	0	0	0	0	113.3	D382 M387 G388 A389 H443 F555	D382-S384 PolarHBondContact O-N 2.89Å; D382-S384 PolarHBondContact OD1-N 2.84Å; D382-S384 WeakPolarHBondContact OD2-CB 3.49Å; D382-S384 PolarHBondContact OD2-OG 2.95Å; S384-M387 PolarHBondContact O-N 3.47Å; S384-G388 PolarHBondContact O-N 2.66Å; S384-A389 WeakPolarHBondContact CA-O 3.38Å; S384-A389 WeakPolarHBondContact CB-O 3.23Å; S384-A389 PolarHBondContact O-N 3.17Å; S384-A389 VanDerWaalsContact O-N 3.12Å; S384-H443 PolarHBondContact O-CE1 3.37Å; S384-F555 VanDerWaalsContact CB-CE1 3.45Å
385	F	94.7	Very high	94.3	Very high	13 Å²	13	22.8 Å²	22.8	6%	0.057	12%	0.118	C	C	.	.	H	α-helix	trans	-67.6	-44.4	178.5	-60.2	-88.5	0	0	0	112.3	Y335 L375 L378 M379 D382 P383 M387 G388 H443	Y335-F385 HydrophobicContact CD1-CD1 4.09Å; Y335-F385 HydrophobicContact CD1-CE1 4.26Å; Y335-F385 HydrophobicContact CD2-CD1 4.49Å; Y335-F385 AromaticContact CE1-CD1 3.75Å; Y335-F385 HydrophobicContact CE1-CD1 3.75Å; Y335-F385 HydrophobicContact CE1-CE1 4.05Å; Y335-F385 HydrophobicContact CE2-CD1 4.19Å; Y335-F385 HydrophobicContact CG-CD1 4.46Å; Y335-F385 AromaticContact CZ-CD1 3.81Å; L375-F385 HydrophobicContact CD1-CE1 3.63Å; L375-F385 HydrophobicContact CD1-CZ 4.03Å; L378-F385 HydrophobicContact CB-CE2 3.65Å; L378-F385 HydrophobicContact CB-CZ 3.83Å; M379-F385 HydrophobicContact CB-CG 4.31Å; M379-F385 HydrophobicContact CG-CB 3.97Å; M379-F385 HydrophobicContact CG-CD1 3.46Å; M379-F385 VanDerWaalsContact CG-CD1 3.46Å; M379-F385 HydrophobicContact CG-CD2 4.12Å; M379-F385 HydrophobicContact CG-CE1 3.92Å; M379-F385 HydrophobicContact CG-CG 3.56Å; M379-F385 HydrophobicContact CG-CZ 4.45Å; M379-F385 HydrophobicContact SD-CD1 4.3Å; D382-F385 HydrophobicContact CB-CD2 4.27Å; D382-F385 HydrophobicContact CB-CE2 4.26Å; P383-F385 VanDerWaalsContact C-N 3.28Å; P383-F385 PolarHBondContact O-N 3.31Å; F385-M387 VanDerWaalsContact C-N 3.32Å; F385-M387 PolarHBondContact O-N 2.72Å; F385-G388 PolarHBondContact O-N 3.34Å; F385-H443 VanDerWaalsContact CA-CE1 3.43Å; F385-H443 WeakPolarHBondContact CA-CE1 3.48Å; F385-H443 HydrophobicContact CD1-CB 4.46Å; F385-H443 AromaticContact CD1-ND1 3.59Å; F385-H443 HydrophobicContact CE1-CB 3.73Å; F385-H443 AromaticContact CE1-CG 3.96Å; F385-H443 AromaticContact CE1-ND1 3.7Å; F385-H443 HydrophobicContact CZ-CB 4.17Å; F385-H443 PolarHBondContact N-CE1 2.81Å; F385-H443 VanDerWaalsContact N-CE1 3.32Å
386	L	93.8	Very high	94.1	Very high	27 Å²	27	25.5 Å²	25.5	14%	0.141	14%	0.141	C	C	.	.	H	α-helix	trans	-60	-43.2	175.1	178.4	64.1	0	0	0	111.4	E328 P383 G388 L574 Q578 H581	E328-L386 HydrophobicContact CG-CD1 4.3Å; P383-L386 PolarHBondContact O-N 3.08Å; L386-G388 VanDerWaalsContact C-N 3.29Å; L386-G388 PolarHBondContact O-N 2.84Å; L386-L574 HydrophobicContact CD2-CD1 4.15Å; L386-Q578 HydrophobicContact CD1-CG 4.04Å; L386-Q578 HydrophobicContact CD2-CG 3.93Å; L386-H581 HydrophobicContact CD1-CB 4.06Å; L386-H581 WeakPolarHBondContact CD1-ND1 3.44Å; L386-H581 HydrophobicContact CG-CB 4.46Å; L386-H581 PolarHBondContact O-NE2 2.89Å
387	M	94.3	Very high	94	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-77.1	-16.1	-180	-60.9	-59.8	-67.2	0	0	112.3	P383 S384 F385 A389 L546 K548 F555 E612 Y614	P383-M387 WeakPolarHBondContact O-CB 3.31Å; P383-M387 VanDerWaalsContact O-CG 3.23Å; P383-M387 WeakPolarHBondContact O-CG 3.31Å; P383-M387 PolarHBondContact O-N 2.82Å; S384-M387 PolarHBondContact O-N 3.47Å; F385-M387 VanDerWaalsContact C-N 3.32Å; F385-M387 PolarHBondContact O-N 2.72Å; M387-A389 VanDerWaalsContact C-N 3.27Å; M387-A389 HydrophobicContact CB-CB 4.24Å; M387-A389 PolarHBondContact O-N 3.49Å; M387-L546 HydrophobicContact CE-CB 4.43Å; M387-L546 HydrophobicContact CG-CD1 4.43Å; M387-L546 HydrophobicContact SD-CB 4.28Å; M387-L546 HydrophobicContact SD-CD1 4.06Å; M387-K548 HydrophobicContact CB-CD 4.39Å; M387-K548 HydrophobicContact CE-CB 3.3Å; M387-K548 HydrophobicContact CE-CD 4.03Å; M387-K548 HydrophobicContact CE-CG 4.34Å; M387-K548 VanDerWaalsContact O-CD 3.24Å; M387-K548 WeakPolarHBondContact O-CD 3.46Å; M387-K548 WeakPolarHBondContact O-CE 3.49Å; M387-K548 PolarHBondContact O-NZ 2.82Å; M387-F555 HydrophobicContact CB-CG 4.42Å; M387-F555 HydrophobicContact CG-CD2 4.37Å; M387-F555 HydrophobicContact CG-CG 4.46Å; M387-E612 HydrophobicContact CE-CB 4.2Å; M387-Y614 HydrophobicContact CE-CD2 3.91Å; M387-Y614 HydrophobicContact CE-CE2 3.69Å; M387-Y614 HydrophobicContact SD-CD2 3.92Å; M387-Y614 HydrophobicContact SD-CE2 3.76Å
388	G	93.9	Very high	93.9	Very high	31 Å²	31	25.9 Å²	25.9	32%	0.32	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	40.3	-172.9	0	0	0	0	0	112.2	S384 F385 L386	S384-G388 PolarHBondContact O-N 2.66Å; F385-G388 PolarHBondContact O-N 3.34Å; L386-G388 VanDerWaalsContact C-N 3.29Å; L386-G388 PolarHBondContact O-N 2.84Å
389	A	94.9	Very high	94	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-149.6	151.6	-170.8	0	0	0	0	0	110.8	S384 M387 H443 K548 G553 F555	S384-A389 WeakPolarHBondContact CA-O 3.38Å; S384-A389 WeakPolarHBondContact CB-O 3.23Å; S384-A389 PolarHBondContact O-N 3.17Å; S384-A389 VanDerWaalsContact O-N 3.12Å; M387-A389 VanDerWaalsContact C-N 3.27Å; M387-A389 HydrophobicContact CB-CB 4.24Å; M387-A389 PolarHBondContact O-N 3.49Å; A389-H443 PolarHBondContact N-CE1 2.93Å; A389-H443 VanDerWaalsContact N-CE1 3.29Å; A389-H443 PolarHBondContact O-CE1 2.81Å; A389-H443 VanDerWaalsContact O-CE1 3.25Å; A389-H443 PolarHBondContact O-NE2 2.84Å; A389-K548 HydrophobicContact CB-CD 4.3Å; A389-K548 HydrophobicContact CB-CG 4.18Å; A389-G553 VanDerWaalsContact CA-O 3.27Å; A389-G553 WeakPolarHBondContact CA-O 3.28Å; A389-G553 VanDerWaalsContact CB-O 3.28Å; A389-G553 WeakPolarHBondContact CB-O 3.49Å; A389-F555 HydrophobicContact CB-CB 4.06Å; A389-F555 HydrophobicContact CB-CD1 3.94Å; A389-F555 HydrophobicContact CB-CG 4.42Å; A389-F555 VanDerWaalsContact O-CD1 3.31Å; A389-F555 WeakPolarHBondContact O-CD1 3.14Å; A389-F555 VanDerWaalsContact O-CE1 3.31Å; A389-F555 WeakPolarHBondContact O-CE1 3.11Å
390	A	93.8	Very high	94	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.017	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	148.7	176.5	0	0	0	0	0	112.2	L442 H443 G553 L554 F555	A390-L442 HydrophobicContact CB-CD2 3.55Å; A390-L442 HydrophobicContact CB-CG 4.47Å; A390-H443 WeakPolarHBondContact CA-NE2 3.38Å; A390-H443 PolarHBondContact N-NE2 3.09Å; A390-G553 PolarHBondContact N-O 3.48Å; A390-L554 HydrophobicContact CB-CD2 4.1Å; A390-L554 VanDerWaalsContact O-CA 3.31Å; A390-L554 WeakPolarHBondContact O-CA 3.46Å; A390-L554 WeakPolarHBondContact O-CD2 3.36Å; A390-F555 VanDerWaalsContact C-CD1 3.49Å; A390-F555 WeakPolarHBondContact O-CD1 3.39Å; A390-F555 PolarHBondContact O-N 2.86Å
391	R	94.4	Very high	94.1	Very high	23 Å²	23	29 Å²	29	9%	0.087	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	135.5	173.6	-171.1	-177.4	-77.9	101.1	-6.8	109	D382 Q425 L426 F555 S557	D382-R391 IonicContact OD1-CZ 3.72Å; D382-R391 IonicContact OD1-NH1 3.45Å; D382-R391 PolarHBondContact OD1-NH1 2.81Å; D382-R391 IonicContact OD1-NH2 3.75Å; D382-R391 PolarHBondContact OD1-NH2 2.88Å; D382-R391 IonicContact OD2-NH1 2.73Å; D382-R391 PolarHBondContact OD2-NH1 3.32Å; R391-Q425 HydrophobicContact CB-CG 4.47Å; R391-Q425 HydrophobicContact CG-CG 4.21Å; R391-Q425 WeakPolarHBondContact O-CA 3.49Å; R391-L426 PolarHBondContact O-N 3.49Å; R391-F555 HydrophobicContact CB-CD1 4.35Å; R391-F555 HydrophobicContact CB-CE1 3.65Å; R391-F555 HydrophobicContact CB-CZ 3.85Å; R391-F555 HydrophobicContact CG-CZ 4.43Å; R391-F555 VanDerWaalsContact CZ-CZ 3.44Å; R391-S557 PolarHBondContact NE-OG 3.06Å; R391-S557 PolarHBondContact NH2-OG 2.87Å; R391-S557 VanDerWaalsContact NH2-OG 3.13Å
392	C	93.9	Very high	94.3	Very high	5 Å²	5	24 Å²	24	3%	0.034	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-93.1	152.2	169.1	-81.9	0	0	0	0	112.3	P394 Q425 L426 L644	C392-P394 WeakPolarHBondContact O-CD 3.36Å; C392-Q425 PolarHBondContact O-NE2 2.81Å; C392-L426 CarbonylContact C-O 3.54Å; C392-L426 VanDerWaalsContact CA-O 3.23Å; C392-L426 WeakPolarHBondContact CA-O 3.39Å; C392-L644 WeakPolarHBondContact CB-O 3.36Å
393	L	95.3	Very high	94.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-73.5	121.9	167.6	-176.5	70.3	0	0	0	108.5	L395 R400 A422 Q425 L426 V427 A526 L527 P530	L393-L395 PolarHBondContact O-N 3.36Å; L393-L395 VanDerWaalsContact O-N 3.16Å; L393-R400 PolarHBondContact O-NH2 3.33Å; L393-A422 HydrophobicContact CD2-CB 4.08Å; L393-Q425 HydrophobicContact CB-CB 4.18Å; L393-L426 PolarHBondContact N-O 3.01Å; L393-V427 HydrophobicContact CB-CG2 4.14Å; L393-V427 HydrophobicContact CD2-CG1 4.47Å; L393-V427 HydrophobicContact CD2-CG2 3.9Å; L393-A526 HydrophobicContact CD2-CB 4.23Å; L393-L527 HydrophobicContact CD2-CD2 4.47Å; L393-P530 HydrophobicContact CD1-CB 3.99Å
394	P	94.9	Very high	94.5	Very high	18 Å²	18	23 Å²	23	12%	0.117	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-59.5	117.3	175.6	-22	34.1	0	0	0	110.4	C392 P530 Y532 R643 L644	C392-P394 WeakPolarHBondContact O-CD 3.36Å; P394-P530 WeakPolarHBondContact CD-O 3.34Å; P394-Y532 HydrophobicContact CG-CD1 4.08Å; P394-R643 WeakPolarHBondContact CA-O 3.36Å; P394-L644 HydrophobicContact CB-CD2 4.2Å; P394-L644 HydrophobicContact CG-CD2 4.28Å
395	L	94.7	Very high	94.6	Very high	9 Å²	9	23.9 Å²	23.9	5%	0.047	16%	0.162	C	C	.	.			trans	-150.1	138.2	-172.1	-171.9	65.2	0	0	0	110.1	L393 A397 V399 R400 V427 L523 A526 R643	L393-L395 PolarHBondContact O-N 3.36Å; L393-L395 VanDerWaalsContact O-N 3.16Å; L395-A397 PolarHBondContact O-N 2.85Å; L395-V399 HydrophobicContact CD1-CB 4.12Å; L395-V399 HydrophobicContact CD1-CG1 3.96Å; L395-V399 HydrophobicContact CD2-CB 4.27Å; L395-V399 HydrophobicContact CD2-CG1 4.07Å; L395-V399 HydrophobicContact CG-CB 4.05Å; L395-V399 HydrophobicContact CG-CG1 4.2Å; L395-R400 HydrophobicContact CD2-CB 4.07Å; L395-V427 HydrophobicContact CD2-CG1 4.06Å; L395-L523 HydrophobicContact CD1-CD2 4.3Å; L395-L523 HydrophobicContact CD2-CD2 3.74Å; L395-A526 HydrophobicContact CD1-CB 3.82Å; L395-R643 PolarHBondContact N-O 3.3Å; L395-R643 VanDerWaalsContact N-O 3.1Å; L395-R643 WeakPolarHBondContact O-CA 3.5Å
396	A	93.6	Very high	94.7	Very high	58 Å²	58	23.3 Å²	23.3	48%	0.479	16%	0.16	S	C	.	.			trans	-60.4	137.2	177.4	0	0	0	0	0	111.5	A398 V399 R400	A396-A398 PolarHBondContact O-N 3.16Å; A396-V399 HydrophobicContact CB-CG2 4.32Å; A396-V399 WeakPolarHBondContact O-CB 3.03Å; A396-V399 PolarHBondContact O-N 2.95Å; A396-R400 PolarHBondContact O-N 2.93Å; A396-R400 VanDerWaalsContact O-N 3.12Å
397	A	92.7	Very high	94.7	Very high	37 Å²	37	22 Å²	22	31%	0.306	15%	0.153	S	C	.	.	H	α-helix	trans	-47.2	-54.8	-175.1	0	0	0	0	0	112.6	L395 V399 R400 D401 D642	L395-A397 PolarHBondContact O-N 2.85Å; A397-V399 PolarHBondContact O-N 3.3Å; A397-R400 CarbonylContact O-C 3.52Å; A397-R400 WeakPolarHBondContact O-CA 3.47Å; A397-R400 WeakPolarHBondContact O-CB 3.27Å; A397-R400 PolarHBondContact O-N 2.93Å; A397-D401 PolarHBondContact O-N 2.82Å; A397-D642 HydrophobicContact CB-CB 4.09Å
398	A	93.9	Very high	94.8	Very high	69 Å²	69	24.7 Å²	24.7	57%	0.57	17%	0.166	S	C	*	.	H	α-helix	trans	-55.5	-31.2	-179.7	0	0	0	0	0	114.5	A396 T402	A396-A398 PolarHBondContact O-N 3.16Å; A398-T402 WeakPolarHBondContact O-CB 3.01Å; A398-T402 PolarHBondContact O-N 2.81Å; A398-T402 VanDerWaalsContact O-N 3.14Å; A398-T402 PolarHBondContact O-OG1 3Å
399	V	95	Very high	94.8	Very high	30 Å²	30	27.4 Å²	27.4	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-75.6	-45.7	174.7	-173.1	0	0	0	0	109.9	L395 A396 A397 D401 T402 V403 A519 A522	L395-V399 HydrophobicContact CD1-CB 4.12Å; L395-V399 HydrophobicContact CD1-CG1 3.96Å; L395-V399 HydrophobicContact CD2-CB 4.27Å; L395-V399 HydrophobicContact CD2-CG1 4.07Å; L395-V399 HydrophobicContact CG-CB 4.05Å; L395-V399 HydrophobicContact CG-CG1 4.2Å; A396-V399 HydrophobicContact CB-CG2 4.32Å; A396-V399 WeakPolarHBondContact O-CB 3.03Å; A396-V399 PolarHBondContact O-N 2.95Å; A397-V399 PolarHBondContact O-N 3.3Å; V399-D401 VanDerWaalsContact C-N 3.33Å; V399-D401 PolarHBondContact O-N 2.9Å; V399-T402 WeakPolarHBondContact O-CB 3.49Å; V399-T402 PolarHBondContact O-N 2.94Å; V399-V403 VanDerWaalsContact O-CG2 3.29Å; V399-V403 WeakPolarHBondContact O-CG2 3.42Å; V399-V403 PolarHBondContact O-N 3.15Å; V399-A519 HydrophobicContact CG1-CB 4.36Å; V399-A522 HydrophobicContact CG1-CB 3.75Å; V399-A522 HydrophobicContact CG2-CB 3.92Å
400	R	95	Very high	94.7	Very high	9 Å²	9	27.4 Å²	27.4	3%	0.034	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-39.4	176.2	-174.6	178.6	-79.1	144.7	12.2	112.2	L393 L395 A396 A397 V403 S404 V427 D642 R643 F645	L393-R400 PolarHBondContact O-NH2 3.33Å; L395-R400 HydrophobicContact CD2-CB 4.07Å; A396-R400 PolarHBondContact O-N 2.93Å; A396-R400 VanDerWaalsContact O-N 3.12Å; A397-R400 CarbonylContact O-C 3.52Å; A397-R400 WeakPolarHBondContact O-CA 3.47Å; A397-R400 WeakPolarHBondContact O-CB 3.27Å; A397-R400 PolarHBondContact O-N 2.93Å; R400-V403 PolarHBondContact O-N 3.01Å; R400-S404 VanDerWaalsContact O-CB 3.3Å; R400-S404 WeakPolarHBondContact O-CB 3.34Å; R400-S404 PolarHBondContact O-N 3.42Å; R400-S404 PolarHBondContact O-OG 2.74Å; R400-V427 PolarHBondContact NE-O 2.8Å; R400-D642 PolarHBondContact NH1-O 2.87Å; R400-R643 PolarHBondContact NH1-O 3.42Å; R400-R643 PolarHBondContact NH2-O 2.87Å; R400-F645 VanDerWaalsContact NH1-C 3.33Å; R400-F645 PolarHBondContact NH1-O 3.11Å
401	D	94.5	Very high	94.5	Very high	98 Å²	98	34.2 Å²	34.2	52%	0.524	20%	0.195	S	C	.	.	H	α-helix	trans	-64.2	-44.3	174.9	-61.5	-30.3	0	0	0	110.8	A397 V399 V403 S404 A405	A397-D401 PolarHBondContact O-N 2.82Å; V399-D401 VanDerWaalsContact C-N 3.33Å; V399-D401 PolarHBondContact O-N 2.9Å; D401-V403 PolarHBondContact O-N 3.41Å; D401-S404 PolarHBondContact O-N 3.11Å; D401-A405 VanDerWaalsContact O-CB 3.23Å; D401-A405 WeakPolarHBondContact O-CB 3.08Å; D401-A405 PolarHBondContact O-N 3.03Å
402	T	95.6	Very high	94.4	Very high	40 Å²	40	34.2 Å²	34.2	25%	0.245	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-41.3	176.5	-63.4	0	0	0	0	112.1	A398 V399 S406 R517 A519	A398-T402 WeakPolarHBondContact O-CB 3.01Å; A398-T402 PolarHBondContact O-N 2.81Å; A398-T402 VanDerWaalsContact O-N 3.14Å; A398-T402 PolarHBondContact O-OG1 3Å; V399-T402 WeakPolarHBondContact O-CB 3.49Å; V399-T402 PolarHBondContact O-N 2.94Å; T402-S406 WeakPolarHBondContact O-CB 3.44Å; T402-S406 PolarHBondContact O-N 3.03Å; T402-S406 VanDerWaalsContact O-N 3.11Å; T402-S406 PolarHBondContact O-OG 3.12Å; T402-R517 HydrophobicContact CG2-CB 3.78Å; T402-R517 HydrophobicContact CG2-CG 4.4Å; T402-A519 HydrophobicContact CG2-CB 3.8Å
403	V	96.2	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-51.4	174.2	171.3	0	0	0	0	110.6	V399 R400 D401 A405 S406 L407 L420 A428 F510 L514 A519 L523	V399-V403 VanDerWaalsContact O-CG2 3.29Å; V399-V403 WeakPolarHBondContact O-CG2 3.42Å; V399-V403 PolarHBondContact O-N 3.15Å; R400-V403 PolarHBondContact O-N 3.01Å; D401-V403 PolarHBondContact O-N 3.41Å; V403-A405 PolarHBondContact O-N 3.22Å; V403-S406 WeakPolarHBondContact O-CB 3.18Å; V403-S406 PolarHBondContact O-N 3.22Å; V403-S406 VanDerWaalsContact O-N 3.08Å; V403-L407 HydrophobicContact CG1-CD1 4.33Å; V403-L407 PolarHBondContact O-N 3.21Å; V403-L420 HydrophobicContact CG1-CD2 3.57Å; V403-A428 HydrophobicContact CG1-CB 3.72Å; V403-F510 HydrophobicContact CG1-CZ 4.43Å; V403-L514 HydrophobicContact CG2-CD1 3.81Å; V403-A519 HydrophobicContact CG2-CB 4.41Å; V403-L523 HydrophobicContact CG2-CD1 3.88Å; V403-L523 HydrophobicContact CG2-CD2 4.32Å; V403-L523 HydrophobicContact CG2-CG 4.28Å
404	S	95.7	Very high	94.2	Very high	8 Å²	8	46 Å²	46	6%	0.056	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-43.6	-176.5	-55.8	0	0	0	0	111.6	R400 D401 S406 L407 Q408	R400-S404 VanDerWaalsContact O-CB 3.3Å; R400-S404 WeakPolarHBondContact O-CB 3.34Å; R400-S404 PolarHBondContact O-N 3.42Å; R400-S404 PolarHBondContact O-OG 2.74Å; D401-S404 PolarHBondContact O-N 3.11Å; S404-S406 VanDerWaalsContact C-N 3.3Å; S404-S406 PolarHBondContact O-N 3.18Å; S404-L407 PolarHBondContact O-N 2.76Å; S404-Q408 WeakPolarHBondContact O-CB 3.31Å; S404-Q408 PolarHBondContact O-N 3.12Å
405	A	95.7	Very high	94.1	Very high	22 Å²	22	45.2 Å²	45.2	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-33.4	174.3	0	0	0	0	0	112.2	D401 V403 Q409 L650	D401-A405 VanDerWaalsContact O-CB 3.23Å; D401-A405 WeakPolarHBondContact O-CB 3.08Å; D401-A405 PolarHBondContact O-N 3.03Å; V403-A405 PolarHBondContact O-N 3.22Å; A405-Q409 WeakPolarHBondContact O-CB 3.32Å; A405-Q409 VanDerWaalsContact O-CG 3.23Å; A405-Q409 WeakPolarHBondContact O-CG 3.33Å; A405-Q409 PolarHBondContact O-N 2.79Å; A405-Q409 VanDerWaalsContact O-N 3.12Å; A405-L650 HydrophobicContact CB-CD1 4.48Å
406	S	96.2	Very high	94.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-69	-37.7	175.6	-60.6	0	0	0	0	112.1	T402 V403 S404 A410	T402-S406 WeakPolarHBondContact O-CB 3.44Å; T402-S406 PolarHBondContact O-N 3.03Å; T402-S406 VanDerWaalsContact O-N 3.11Å; T402-S406 PolarHBondContact O-OG 3.12Å; V403-S406 WeakPolarHBondContact O-CB 3.18Å; V403-S406 PolarHBondContact O-N 3.22Å; V403-S406 VanDerWaalsContact O-N 3.08Å; S404-S406 VanDerWaalsContact C-N 3.3Å; S404-S406 PolarHBondContact O-N 3.18Å; S406-A410 WeakPolarHBondContact O-CB 3.49Å; S406-A410 PolarHBondContact O-N 3.47Å
407	L	95.4	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-49	171.9	-70.6	172.5	0	0	0	111.5	V403 S404 Q409 A410 L420 A428 V430 L490 F492 F510	V403-L407 HydrophobicContact CG1-CD1 4.33Å; V403-L407 PolarHBondContact O-N 3.21Å; S404-L407 PolarHBondContact O-N 2.76Å; L407-Q409 VanDerWaalsContact C-N 3.27Å; L407-Q409 PolarHBondContact O-N 2.93Å; L407-A410 CarbonylContact O-C 3.54Å; L407-A410 WeakPolarHBondContact O-CA 3.41Å; L407-A410 WeakPolarHBondContact O-CB 3.48Å; L407-A410 PolarHBondContact O-N 3.12Å; L407-L420 HydrophobicContact CD1-CB 4.21Å; L407-A428 HydrophobicContact CD1-CB 3.83Å; L407-V430 HydrophobicContact CB-CB 4.45Å; L407-V430 HydrophobicContact CB-CG2 3.66Å; L407-V430 HydrophobicContact CD1-CG2 4.28Å; L407-L490 HydrophobicContact CD2-CD1 3.54Å; L407-F492 HydrophobicContact CD2-CE1 4.47Å; L407-F510 HydrophobicContact CD2-CD1 4.18Å; L407-F510 HydrophobicContact CD2-CD2 3.56Å; L407-F510 HydrophobicContact CD2-CE1 4.08Å; L407-F510 HydrophobicContact CD2-CE2 3.48Å; L407-F510 VanDerWaalsContact CD2-CE2 3.48Å; L407-F510 HydrophobicContact CD2-CG 3.92Å; L407-F510 HydrophobicContact CD2-CZ 3.76Å; L407-F510 HydrophobicContact CG-CD2 3.92Å; L407-F510 HydrophobicContact CG-CE2 3.56Å; L407-F510 HydrophobicContact CG-CZ 4.11Å
408	Q	95.6	Very high	94.5	Very high	60 Å²	60	40.2 Å²	40.2	28%	0.28	20%	0.2	S	C	.	.	H	α-helix	trans	-57.3	-39	-179.9	-171.6	-165	35.1	0	0	112.4	S404 A410 V430 L650 T651	S404-Q408 WeakPolarHBondContact O-CB 3.31Å; S404-Q408 PolarHBondContact O-N 3.12Å; Q408-A410 VanDerWaalsContact C-N 3.29Å; Q408-A410 PolarHBondContact O-N 3.15Å; Q408-V430 HydrophobicContact CB-CG1 4.18Å; Q408-V430 HydrophobicContact CB-CG2 4.42Å; Q408-V430 HydrophobicContact CG-CG1 4.39Å; Q408-L650 HydrophobicContact CB-CD1 4.29Å; Q408-T651 PolarHBondContact NE2-O 2.76Å
409	Q	94	Very high	94.6	Very high	88 Å²	88	37 Å²	37	41%	0.411	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-13.2	175.5	-67.2	178.6	9	0	0	113.6	A405 L407 R411 R513	A405-Q409 WeakPolarHBondContact O-CB 3.32Å; A405-Q409 VanDerWaalsContact O-CG 3.23Å; A405-Q409 WeakPolarHBondContact O-CG 3.33Å; A405-Q409 PolarHBondContact O-N 2.79Å; A405-Q409 VanDerWaalsContact O-N 3.12Å; L407-Q409 VanDerWaalsContact C-N 3.27Å; L407-Q409 PolarHBondContact O-N 2.93Å; Q409-R411 PolarHBondContact O-N 3.4Å; Q409-R513 PolarHBondContact O-NH1 2.84Å; Q409-R513 PolarHBondContact O-NH2 3.1Å
410	A	92.6	Very high	94.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-98.8	59.8	178.8	0	0	0	0	0	109.9	S406 L407 Q408 C506 F510	S406-A410 WeakPolarHBondContact O-CB 3.49Å; S406-A410 PolarHBondContact O-N 3.47Å; L407-A410 CarbonylContact O-C 3.54Å; L407-A410 WeakPolarHBondContact O-CA 3.41Å; L407-A410 WeakPolarHBondContact O-CB 3.48Å; L407-A410 PolarHBondContact O-N 3.12Å; Q408-A410 VanDerWaalsContact C-N 3.29Å; Q408-A410 PolarHBondContact O-N 3.15Å; A410-C506 HydrophobicContact CB-CB 4.4Å; A410-C506 WeakPolarHBondContact O-CB 3.37Å; A410-C506 PolarHBondContact O-SG 3.35Å; A410-F510 HydrophobicContact CB-CB 3.83Å
411	R	90.3	Very high	94.7	Very high	145 Å²	145	35.2 Å²	35.2	55%	0.547	16%	0.163	S	C	.	.			trans	-104.8	146.3	-175.2	72.3	-176.8	-173.7	176.7	2.7	113.4	Q409 C506 Y652	Q409-R411 PolarHBondContact O-N 3.4Å; R411-C506 VanDerWaalsContact C-SG 3.51Å; R411-Y652 HydrophobicContact CB-CD1 3.66Å; R411-Y652 HydrophobicContact CB-CE1 3.47Å; R411-Y652 VanDerWaalsContact CB-CE1 3.47Å; R411-Y652 PolarHBondContact NH1-OXT 3.06Å
412	A	91.8	Very high	94.7	Very high	22 Å²	22	30.5 Å²	30.5	18%	0.182	14%	0.138	C	C	.	.			trans	-119	164.8	161.2	0	0	0	0	0	109.6	S414 L415 A502	A412-S414 PolarHBondContact O-N 3.41Å; A412-L415 HydrophobicContact CB-CD1 4.37Å; A412-L415 HydrophobicContact CB-CG 4.17Å; A412-L415 PolarHBondContact O-N 2.82Å; A412-A502 HydrophobicContact CB-CB 4.29Å
413	R	91.1	Very high	94.3	Very high	247 Å²	247	34.1 Å²	34.1	93%	0.932	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.4	-174.4	-74.5	-175.8	176.7	175.3	-0.4	114.3	R432	R413-R432 PolarHBondContact O-NH2 3.35Å
414	S	92.8	Very high	94	Very high	7 Å²	7	35.5 Å²	35.5	5%	0.049	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-24.1	178.7	62.2	0	0	0	0	113.6	A412 V416 R432 S494 T495 D499	A412-S414 PolarHBondContact O-N 3.41Å; S414-V416 PolarHBondContact O-N 2.9Å; S414-R432 PolarHBondContact O-NH2 2.94Å; S414-S494 VanDerWaalsContact CB-OG 3.28Å; S414-S494 WeakPolarHBondContact CB-OG 3.4Å; S414-S494 PolarHBondContact OG-OG 2.81Å; S414-T495 PolarHBondContact O-N 3.01Å; S414-T495 VanDerWaalsContact O-N 3.1Å; S414-T495 PolarHBondContact O-OG1 3.45Å; S414-D499 VanDerWaalsContact CB-OD2 3.24Å; S414-D499 WeakPolarHBondContact CB-OD2 3.38Å; S414-D499 PolarHBondContact OG-OD2 3.45Å
415	L	94.1	Very high	93.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	129.5	-168	-69	-175.5	0	0	0	112.6	A412 R432 F492 V493 V503 C506 Y652	A412-L415 HydrophobicContact CB-CD1 4.37Å; A412-L415 HydrophobicContact CB-CG 4.17Å; A412-L415 PolarHBondContact O-N 2.82Å; L415-R432 VanDerWaalsContact O-CZ 3.3Å; L415-R432 PolarHBondContact O-NE 3.13Å; L415-R432 PolarHBondContact O-NH2 3.39Å; L415-F492 HydrophobicContact CD1-CD1 3.89Å; L415-F492 HydrophobicContact CD1-CE1 4.28Å; L415-F492 HydrophobicContact CD1-CG 4.38Å; L415-F492 HydrophobicContact CD2-CB 3.77Å; L415-F492 HydrophobicContact CD2-CG 4.4Å; L415-V493 WeakPolarHBondContact CA-O 3.49Å; L415-V503 HydrophobicContact CD2-CG1 4.16Å; L415-V503 HydrophobicContact CD2-CG2 3.66Å; L415-V503 HydrophobicContact CG-CG2 4.37Å; L415-C506 HydrophobicContact CD1-CB 4.47Å; L415-Y652 HydrophobicContact CB-CE2 4.07Å; L415-Y652 WeakPolarHBondContact CB-OH 3.49Å; L415-Y652 WeakPolarHBondContact CD1-OH 3.21Å
416	V	94.8	Very high	93.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-51.6	177	-178.7	0	0	0	0	110.1	S414 R431 R432 F469 F475 V493 T495	S414-V416 PolarHBondContact O-N 2.9Å; V416-R431 CarbonylContact O-C 3.59Å; V416-R431 WeakPolarHBondContact O-CA 3.46Å; V416-R432 PolarHBondContact O-N 3.32Å; V416-F469 HydrophobicContact CG1-CE1 4.03Å; V416-F469 HydrophobicContact CG1-CZ 4.02Å; V416-F475 HydrophobicContact CG2-CD1 4.3Å; V416-F475 HydrophobicContact CG2-CE1 4.32Å; V416-V493 PolarHBondContact N-O 3.4Å; V416-T495 HydrophobicContact CG2-CG2 3.37Å
417	F	96.4	Very high	93.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.8	-178.1	-55.4	-63.5	0	0	0	110.5	I419 V430 R431 L437 L466 F469 F492 V493	F417-I419 HydrophobicContact CB-CD1 4.23Å; F417-I419 HydrophobicContact CB-CG1 4.11Å; F417-V430 CarbonylContact C-O 3.45Å; F417-V430 WeakPolarHBondContact CA-O 3.46Å; F417-R431 HydrophobicContact CD1-CB 3.71Å; F417-R431 HydrophobicContact CE1-CB 3.97Å; F417-L437 HydrophobicContact CD1-CB 4.41Å; F417-L437 HydrophobicContact CD2-CD1 4.36Å; F417-L437 HydrophobicContact CE1-CB 3.94Å; F417-L437 HydrophobicContact CE2-CB 4.4Å; F417-L437 HydrophobicContact CE2-CD1 3.9Å; F417-L437 HydrophobicContact CZ-CB 3.93Å; F417-L437 HydrophobicContact CZ-CD1 4.2Å; F417-L466 HydrophobicContact CD2-CD1 4.16Å; F417-L466 HydrophobicContact CE2-CD1 3.9Å; F417-F469 HydrophobicContact CE2-CD1 4.06Å; F417-F469 HydrophobicContact CE2-CD2 4.49Å; F417-F469 HydrophobicContact CE2-CE1 4Å; F417-F469 HydrophobicContact CE2-CE2 4.45Å; F417-F469 HydrophobicContact CE2-CG 4.31Å; F417-F469 HydrophobicContact CE2-CZ 4.21Å; F417-F469 HydrophobicContact CZ-CD1 4.37Å; F417-F469 HydrophobicContact CZ-CD2 4.03Å; F417-F469 HydrophobicContact CZ-CE1 4.18Å; F417-F469 AromaticContact CZ-CE2 3.84Å; F417-F469 HydrophobicContact CZ-CE2 3.84Å; F417-F469 HydrophobicContact CZ-CG 4.29Å; F417-F469 AromaticContact CZ-CZ 3.92Å; F417-F469 HydrophobicContact CZ-CZ 3.92Å; F417-F492 WeakPolarHBondContact O-CA 3.4Å; F417-V493 HydrophobicContact CB-CB 4.12Å; F417-V493 HydrophobicContact CB-CG2 4.18Å; F417-V493 HydrophobicContact CD2-CB 4.11Å; F417-V493 HydrophobicContact CD2-CG1 4.28Å; F417-V493 HydrophobicContact CD2-CG2 4.32Å; F417-V493 PolarHBondContact N-O 3.12Å; F417-V493 PolarHBondContact O-N 3.45Å
418	S	97.1	Very high	93.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.3	161.2	-56.6	0	0	0	0	108.6	L429 V430 F492 Y652	S418-L429 WeakPolarHBondContact O-CA 3.48Å; S418-V430 PolarHBondContact N-O 3.08Å; S418-V430 PolarHBondContact O-N 3.42Å; S418-F492 WeakPolarHBondContact OG-CD1 3.39Å; S418-F492 WeakPolarHBondContact OG-CE1 3.32Å; S418-Y652 PolarHBondContact OG-OH 3.11Å
419	I	97.1	Very high	93.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.4	-173	-35.1	-166.6	0	0	0	107.7	F417 L421 L426 L429 L437 L442 L445 L491	F417-I419 HydrophobicContact CB-CD1 4.23Å; F417-I419 HydrophobicContact CB-CG1 4.11Å; I419-L421 HydrophobicContact CG2-CD2 3.58Å; I419-L421 HydrophobicContact CG2-CG 4.02Å; I419-L426 HydrophobicContact CG2-CD1 3.38Å; I419-L429 HydrophobicContact CB-CD1 4.44Å; I419-L429 HydrophobicContact CD1-CD1 4.03Å; I419-L429 HydrophobicContact CG1-CD1 3.74Å; I419-L429 HydrophobicContact CG2-CD1 4.33Å; I419-L437 HydrophobicContact CD1-CD2 3.53Å; I419-L442 HydrophobicContact CD1-CD1 4.12Å; I419-L442 HydrophobicContact CG2-CD1 4.26Å; I419-L445 HydrophobicContact CD1-CD1 4.27Å; I419-L491 HydrophobicContact CB-CB 4.26Å; I419-L491 HydrophobicContact CB-CD2 4.34Å; I419-L491 HydrophobicContact CB-CG 4.48Å; I419-L491 HydrophobicContact CD1-CD2 3.94Å; I419-L491 HydrophobicContact CG1-CD2 4.25Å; I419-L491 HydrophobicContact CG1-CG 4.43Å; I419-L491 PolarHBondContact N-O 3.44Å; I419-L491 PolarHBondContact O-N 3.22Å
420	L	97	Very high	94	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.2	170	-176.3	70.2	0	0	0	108.9	V403 L407 V427 A428 L482 L490 F510 L523	V403-L420 HydrophobicContact CG1-CD2 3.57Å; L407-L420 HydrophobicContact CD1-CB 4.21Å; L420-V427 HydrophobicContact CB-CB 4.27Å; L420-V427 HydrophobicContact CD2-CB 4.08Å; L420-V427 HydrophobicContact CD2-CG1 3.89Å; L420-V427 HydrophobicContact CG-CB 4.07Å; L420-V427 HydrophobicContact CG-CG1 4.43Å; L420-V427 HydrophobicContact CG-CG2 4.41Å; L420-V427 WeakPolarHBondContact O-CA 3.19Å; L420-V427 VanDerWaalsContact O-CB 3.31Å; L420-V427 WeakPolarHBondContact O-CB 3.44Å; L420-V427 PolarHBondContact O-N 2.8Å; L420-A428 HydrophobicContact CB-CB 4.48Å; L420-A428 PolarHBondContact N-O 2.43Å; L420-A428 PolarHBondContact O-N 3.32Å; L420-L482 HydrophobicContact CD1-CD1 3.85Å; L420-L490 HydrophobicContact CD1-CB 4.42Å; L420-L490 HydrophobicContact CD1-CD1 4.29Å; L420-F510 HydrophobicContact CD1-CE1 4.36Å; L420-F510 HydrophobicContact CD2-CZ 4.19Å; L420-L523 HydrophobicContact CD2-CD1 4.08Å
421	L	95.5	Very high	94.1	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.4	-171.7	-58	179.9	0	0	0	111.2	I419 Q425 L426 F446 I449 L488 C489	I419-L421 HydrophobicContact CG2-CD2 3.58Å; I419-L421 HydrophobicContact CG2-CG 4.02Å; L421-Q425 WeakPolarHBondContact CA-O 3.47Å; L421-L426 HydrophobicContact CD2-CB 4.48Å; L421-L426 HydrophobicContact CD2-CD1 3.68Å; L421-F446 HydrophobicContact CD1-CD1 3.6Å; L421-F446 HydrophobicContact CD1-CE1 3.58Å; L421-F446 HydrophobicContact CD2-CD1 4.1Å; L421-F446 HydrophobicContact CD2-CE1 3.24Å; L421-F446 HydrophobicContact CD2-CZ 3.68Å; L421-F446 HydrophobicContact CG-CD1 4.48Å; L421-F446 HydrophobicContact CG-CE1 4.04Å; L421-I449 HydrophobicContact CD1-CD1 3.73Å; L421-L488 WeakPolarHBondContact O-CA 3.38Å; L421-C489 HydrophobicContact CB-CB 4.43Å; L421-C489 PolarHBondContact N-O 3.29Å; L421-C489 PolarHBondContact O-N 2.68Å
422	A	93.5	Very high	94.1	Very high	0 Å²	0	26 Å²	26	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	100.8	175	0	0	0	0	0	108.1	L393 N424 Q425 V427 D487 L488 L527	L393-A422 HydrophobicContact CD2-CB 4.08Å; A422-N424 PolarHBondContact O-N 3.26Å; A422-Q425 PolarHBondContact N-O 2.77Å; A422-Q425 WeakPolarHBondContact O-CB 3.21Å; A422-Q425 PolarHBondContact O-N 3.06Å; A422-V427 HydrophobicContact CB-CG2 3.62Å; A422-D487 WeakPolarHBondContact CA-O 3.3Å; A422-L488 HydrophobicContact CB-CD2 4.34Å; A422-L527 HydrophobicContact CB-CD2 3.56Å
423	R	88.3	Confident	94	Very high	116 Å²	116	31.7 Å²	31.7	44%	0.438	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	-123.8	-167.7	-61.7	171.7	-80.5	-162.9	-20.7	110.1	Q425 D487 L527	R423-Q425 VanDerWaalsContact C-N 3.33Å; R423-Q425 PolarHBondContact O-N 3.41Å; R423-D487 WeakPolarHBondContact CD-OD2 3.46Å; R423-D487 HydrophobicContact CG-CB 3.64Å; R423-D487 WeakPolarHBondContact CG-OD2 3.47Å; R423-D487 PolarHBondContact N-O 3.38Å; R423-D487 IonicContact NE-OD2 2.7Å; R423-L527 PolarHBondContact NH2-O 3.38Å
424	N	89.3	Confident	93.8	Very high	28 Å²	28	24.7 Å²	24.7	15%	0.15	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	24	177.3	-143.2	46.9	0	0	0	113.8	D382 A422 F446	D382-N424 PolarHBondContact OD2-ND2 2.81Å; A422-N424 PolarHBondContact O-N 3.26Å; N424-F446 VanDerWaalsContact OD1-CB 3.28Å; N424-F446 WeakPolarHBondContact OD1-CB 3.34Å; N424-F446 VanDerWaalsContact OD1-CD2 3.29Å; N424-F446 WeakPolarHBondContact OD1-CD2 3.5Å
425	Q	94.2	Very high	93.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.5	-178.4	-63.5	174.6	-78.7	0	0	112.2	R391 C392 L393 L421 A422 R423 P530	R391-Q425 HydrophobicContact CB-CG 4.47Å; R391-Q425 HydrophobicContact CG-CG 4.21Å; R391-Q425 WeakPolarHBondContact O-CA 3.49Å; C392-Q425 PolarHBondContact O-NE2 2.81Å; L393-Q425 HydrophobicContact CB-CB 4.18Å; L421-Q425 WeakPolarHBondContact CA-O 3.47Å; A422-Q425 PolarHBondContact N-O 2.77Å; A422-Q425 WeakPolarHBondContact O-CB 3.21Å; A422-Q425 PolarHBondContact O-N 3.06Å; R423-Q425 VanDerWaalsContact C-N 3.33Å; R423-Q425 PolarHBondContact O-N 3.41Å; Q425-P530 PolarHBondContact NE2-O 2.85Å
426	L	95.8	Very high	93.4	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122.6	174.4	-177.3	61.6	0	0	0	111	R391 C392 L393 I419 L421 L429 L442 F446 L554 I646	R391-L426 PolarHBondContact O-N 3.49Å; C392-L426 CarbonylContact C-O 3.54Å; C392-L426 VanDerWaalsContact CA-O 3.23Å; C392-L426 WeakPolarHBondContact CA-O 3.39Å; L393-L426 PolarHBondContact N-O 3.01Å; I419-L426 HydrophobicContact CG2-CD1 3.38Å; L421-L426 HydrophobicContact CD2-CB 4.48Å; L421-L426 HydrophobicContact CD2-CD1 3.68Å; L426-L429 HydrophobicContact CD1-CB 4.35Å; L426-L429 HydrophobicContact CD2-CB 4.36Å; L426-L442 HydrophobicContact CD2-CD2 4.17Å; L426-F446 HydrophobicContact CB-CZ 4.34Å; L426-L554 HydrophobicContact CD2-CD2 4.29Å; L426-I646 HydrophobicContact CD2-CD1 3.64Å; L426-I646 HydrophobicContact CG-CD1 3.69Å
427	V	96.1	Very high	93.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-48.9	177.3	-173.2	0	0	0	0	110.7	L393 L395 R400 L420 A422 L523	L393-V427 HydrophobicContact CB-CG2 4.14Å; L393-V427 HydrophobicContact CD2-CG1 4.47Å; L393-V427 HydrophobicContact CD2-CG2 3.9Å; L395-V427 HydrophobicContact CD2-CG1 4.06Å; R400-V427 PolarHBondContact NE-O 2.8Å; L420-V427 HydrophobicContact CB-CB 4.27Å; L420-V427 HydrophobicContact CD2-CB 4.08Å; L420-V427 HydrophobicContact CD2-CG1 3.89Å; L420-V427 HydrophobicContact CG-CB 4.07Å; L420-V427 HydrophobicContact CG-CG1 4.43Å; L420-V427 HydrophobicContact CG-CG2 4.41Å; L420-V427 WeakPolarHBondContact O-CA 3.19Å; L420-V427 VanDerWaalsContact O-CB 3.31Å; L420-V427 WeakPolarHBondContact O-CB 3.44Å; L420-V427 PolarHBondContact O-N 2.8Å; A422-V427 HydrophobicContact CB-CG2 3.62Å; V427-L523 HydrophobicContact CG1-CD2 3.65Å
428	A	95.6	Very high	93.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	149.6	178.4	0	0	0	0	0	111.2	V403 L407 L420	V403-A428 HydrophobicContact CG1-CB 3.72Å; L407-A428 HydrophobicContact CD1-CB 3.83Å; L420-A428 HydrophobicContact CB-CB 4.48Å; L420-A428 PolarHBondContact N-O 2.43Å; L420-A428 PolarHBondContact O-N 3.32Å
429	L	95.4	Very high	93	Very high	21 Å²	21	37.2 Å²	37.2	11%	0.11	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.7	175.1	175.5	62.1	0	0	0	109.3	S418 I419 L426	S418-L429 WeakPolarHBondContact O-CA 3.48Å; I419-L429 HydrophobicContact CB-CD1 4.44Å; I419-L429 HydrophobicContact CD1-CD1 4.03Å; I419-L429 HydrophobicContact CG1-CD1 3.74Å; I419-L429 HydrophobicContact CG2-CD1 4.33Å; L426-L429 HydrophobicContact CD1-CB 4.35Å; L426-L429 HydrophobicContact CD2-CB 4.36Å
430	V	96.1	Very high	92.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.4	166.7	-177.4	0	0	0	0	108.3	L407 Q408 F417 S418 L650 Y652	L407-V430 HydrophobicContact CB-CB 4.45Å; L407-V430 HydrophobicContact CB-CG2 3.66Å; L407-V430 HydrophobicContact CD1-CG2 4.28Å; Q408-V430 HydrophobicContact CB-CG1 4.18Å; Q408-V430 HydrophobicContact CB-CG2 4.42Å; Q408-V430 HydrophobicContact CG-CG1 4.39Å; F417-V430 CarbonylContact C-O 3.45Å; F417-V430 WeakPolarHBondContact CA-O 3.46Å; S418-V430 PolarHBondContact N-O 3.08Å; S418-V430 PolarHBondContact O-N 3.42Å; V430-L650 WeakPolarHBondContact CA-O 3.45Å; V430-L650 WeakPolarHBondContact CG1-O 3.4Å; V430-L650 HydrophobicContact CG2-CB 4.32Å; V430-Y652 HydrophobicContact CG1-CD1 4.03Å; V430-Y652 HydrophobicContact CG1-CE1 3.96Å; V430-Y652 HydrophobicContact CG1-CG 4.37Å
431	R	93.8	Very high	93	Very high	19 Å²	19	37.8 Å²	37.8	7%	0.072	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	164.4	-172.7	63.3	-159.7	-171.2	121.1	-6.6	112	V416 F417 Q435 F436 L650 T651 Y652	V416-R431 CarbonylContact O-C 3.59Å; V416-R431 WeakPolarHBondContact O-CA 3.46Å; F417-R431 HydrophobicContact CD1-CB 3.71Å; F417-R431 HydrophobicContact CE1-CB 3.97Å; R431-Q435 WeakPolarHBondContact CD-O 3.38Å; R431-Q435 PolarHBondContact NH1-O 2.85Å; R431-F436 VanDerWaalsContact NH1-CE1 3.28Å; R431-L650 PolarHBondContact N-O 3.28Å; R431-T651 HydrophobicContact CG-CG2 4.18Å; R431-T651 CarbonylContact O-C 3.59Å; R431-T651 WeakPolarHBondContact O-CA 3.37Å; R431-Y652 PolarHBondContact O-N 3.34Å
432	R	91.6	Very high	93	Very high	77 Å²	77	38.2 Å²	38.2	29%	0.291	17%	0.174	S	C	.	.			trans	-64.1	149.9	162.7	-74.9	-173.5	-171.7	-145	-4.4	110.9	R413 S414 L415 V416 D434 Q435 Y652	R413-R432 PolarHBondContact O-NH2 3.35Å; S414-R432 PolarHBondContact O-NH2 2.94Å; L415-R432 VanDerWaalsContact O-CZ 3.3Å; L415-R432 PolarHBondContact O-NE 3.13Å; L415-R432 PolarHBondContact O-NH2 3.39Å; V416-R432 PolarHBondContact O-N 3.32Å; R432-D434 PolarHBondContact O-N 3.38Å; R432-Q435 HydrophobicContact CB-CB 4.15Å; R432-Q435 HydrophobicContact CB-CG 4.05Å; R432-Q435 PolarHBondContact O-N 2.99Å; R432-Y652 HydrophobicContact CG-CD2 4.03Å
433	K	88.4	Confident	93.1	Very high	142 Å²	142	38.3 Å²	38.3	62%	0.617	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	138.4	170.7	-159.5	-163.6	168.1	-168.6	0	109.5	Q435	K433-Q435 PolarHBondContact O-N 2.9Å
434	D	86.3	Confident	93.5	Very high	100 Å²	100	33.1 Å²	33.1	54%	0.535	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	10.6	177.2	-47.1	-45.2	0	0	0	115.7	R432 F436	R432-D434 PolarHBondContact O-N 3.38Å; D434-F436 WeakPolarHBondContact O-CD2 3.4Å
435	Q	89.7	Confident	93.8	Very high	60 Å²	60	31.9 Å²	31.9	28%	0.28	15%	0.149	S	C	.	.			trans	-108.3	121.9	176.4	-63	-173.9	9	0	0	110.9	R431 R432 K433 F469	R431-Q435 WeakPolarHBondContact CD-O 3.38Å; R431-Q435 PolarHBondContact NH1-O 2.85Å; R432-Q435 HydrophobicContact CB-CB 4.15Å; R432-Q435 HydrophobicContact CB-CG 4.05Å; R432-Q435 PolarHBondContact O-N 2.99Å; K433-Q435 PolarHBondContact O-N 2.9Å; Q435-F469 HydrophobicContact CB-CE2 4.02Å; Q435-F469 HydrophobicContact CB-CZ 4.18Å; Q435-F469 HydrophobicContact CG-CE2 4.44Å; Q435-F469 HydrophobicContact CG-CZ 4.35Å
436	F	89.5	Confident	93.9	Very high	93 Å²	93	32.1 Å²	32.1	41%	0.408	15%	0.15	S	C	.	.			trans	-116	127.1	-171.2	-63.8	-105.7	0	0	0	109.7	F148 R431 D434 F469	F148-F436 AromaticContact CD1-CD1 3.99Å; F148-F436 HydrophobicContact CD1-CD1 3.99Å; F148-F436 AromaticContact CD1-CE1 3.69Å; F148-F436 HydrophobicContact CD1-CE1 3.69Å; F148-F436 AromaticContact CE1-CD1 3.63Å; F148-F436 HydrophobicContact CE1-CD1 3.63Å; F148-F436 AromaticContact CE1-CE1 3.5Å; F148-F436 HydrophobicContact CE1-CE1 3.5Å; F148-F436 VanDerWaalsContact CE1-CE1 3.5Å; F148-F436 HydrophobicContact CE2-CE1 4.48Å; F148-F436 HydrophobicContact CG-CE1 4.28Å; F148-F436 HydrophobicContact CZ-CD1 4.35Å; F148-F436 AromaticContact CZ-CE1 3.94Å; F148-F436 HydrophobicContact CZ-CE1 3.94Å; R431-F436 VanDerWaalsContact NH1-CE1 3.28Å; D434-F436 WeakPolarHBondContact O-CD2 3.4Å; F436-F469 WeakPolarHBondContact O-CD2 3.46Å
437	L	92.1	Very high	93.9	Very high	27 Å²	27	31.9 Å²	31.9	14%	0.141	15%	0.148	C	C	.	.			trans	-90.6	126	174.6	-173.7	62.5	0	0	0	109.2	F417 I419 D441 L442 L445 L466	F417-L437 HydrophobicContact CD1-CB 4.41Å; F417-L437 HydrophobicContact CD2-CD1 4.36Å; F417-L437 HydrophobicContact CE1-CB 3.94Å; F417-L437 HydrophobicContact CE2-CB 4.4Å; F417-L437 HydrophobicContact CE2-CD1 3.9Å; F417-L437 HydrophobicContact CZ-CB 3.93Å; F417-L437 HydrophobicContact CZ-CD1 4.2Å; I419-L437 HydrophobicContact CD1-CD2 3.53Å; L437-D441 HydrophobicContact CD1-CB 3.64Å; L437-D441 HydrophobicContact CG-CB 4.43Å; L437-L442 HydrophobicContact CD2-CB 4.3Å; L437-L442 HydrophobicContact CD2-CD1 3.93Å; L437-L445 HydrophobicContact CD2-CD1 4.27Å; L437-L466 HydrophobicContact CD1-CD1 4.03Å
438	H	93.8	Very high	93.8	Very high	68 Å²	68	32.3 Å²	32.3	32%	0.315	15%	0.151	S	C	.	.			trans	-77.2	146.5	-178.5	-168.2	-98.6	0	0	0	111.1	I440 D441 L442 K468	H438-I440 WeakPolarHBondContact ND1-CB 3.35Å; H438-I440 WeakPolarHBondContact ND1-CG1 3.12Å; H438-I440 PolarHBondContact ND1-N 2.64Å; H438-I440 PolarHBondContact O-N 3.43Å; H438-I440 VanDerWaalsContact O-N 3.17Å; H438-D441 PolarHBondContact O-N 2.92Å; H438-D441 VanDerWaalsContact O-N 3.08Å; H438-L442 PolarHBondContact O-N 3.08Å; H438-L442 VanDerWaalsContact O-N 3.09Å; H438-K468 HydrophobicContact CB-CB 3.59Å; H438-K468 HydrophobicContact CB-CG 4.44Å
439	P	94.2	Very high	93.7	Very high	23 Å²	23	33 Å²	33	15%	0.149	15%	0.154	C	C	.	.	H	α-helix	trans	-55.3	-34.1	178.2	-29.4	36.7	0	0	0	114.5	L442 H443	P439-L442 PolarHBondContact O-N 2.96Å; P439-H443 PolarHBondContact O-CD2 3.3Å; P439-H443 VanDerWaalsContact O-CD2 3.23Å; P439-H443 PolarHBondContact O-N 3.09Å
440	I	96	Very high	93.5	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.062	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-53.3	173.9	-65.4	173.7	0	0	0	110.7	Y335 Y338 H438 L442 H443 L444 K468	Y335-I440 HydrophobicContact CD1-CG2 4.12Å; Y335-I440 HydrophobicContact CE1-CB 4.09Å; Y335-I440 HydrophobicContact CE1-CG1 3.86Å; Y335-I440 HydrophobicContact CE1-CG2 3.91Å; Y335-I440 HydrophobicContact CE2-CG1 4.43Å; Y338-I440 HydrophobicContact CD2-CD1 4.14Å; Y338-I440 HydrophobicContact CD2-CG2 3.79Å; Y338-I440 HydrophobicContact CE2-CD1 3.96Å; Y338-I440 HydrophobicContact CG-CG2 4.25Å; H438-I440 WeakPolarHBondContact ND1-CB 3.35Å; H438-I440 WeakPolarHBondContact ND1-CG1 3.12Å; H438-I440 PolarHBondContact ND1-N 2.64Å; H438-I440 PolarHBondContact O-N 3.43Å; H438-I440 VanDerWaalsContact O-N 3.17Å; I440-L442 PolarHBondContact O-N 2.88Å; I440-H443 PolarHBondContact O-N 2.89Å; I440-H443 VanDerWaalsContact O-N 3.08Å; I440-L444 HydrophobicContact CG2-CD1 4.01Å; I440-L444 HydrophobicContact CG2-CG 4.39Å; I440-L444 WeakPolarHBondContact O-CG 3.43Å; I440-L444 PolarHBondContact O-N 3.2Å; I440-K468 HydrophobicContact CB-CG 4.24Å; I440-K468 HydrophobicContact CD1-CG 4.18Å; I440-K468 HydrophobicContact CG2-CG 4.42Å
441	D	97.1	Very high	93.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-37.5	-179.1	-58.5	-24.3	0	0	0	111.1	L437 H438 L444 L445 L466 P467 K468 F469	L437-D441 HydrophobicContact CD1-CB 3.64Å; L437-D441 HydrophobicContact CG-CB 4.43Å; H438-D441 PolarHBondContact O-N 2.92Å; H438-D441 VanDerWaalsContact O-N 3.08Å; D441-L444 PolarHBondContact O-N 2.77Å; D441-L445 VanDerWaalsContact O-CG 3.3Å; D441-L445 WeakPolarHBondContact O-CG 3.29Å; D441-L445 PolarHBondContact O-N 3.11Å; D441-L466 HydrophobicContact CB-CB 4.32Å; D441-L466 HydrophobicContact CB-CD2 4.3Å; D441-P467 VanDerWaalsContact OD1-CD 3.31Å; D441-P467 WeakPolarHBondContact OD1-CD 3.33Å; D441-P467 VanDerWaalsContact OD1-N 3.16Å; D441-K468 PolarHBondContact OD1-N 2.65Å; D441-K468 PolarHBondContact OD2-N 2.77Å; D441-F469 PolarHBondContact OD2-N 3.34Å
442	L	95.7	Very high	92.7	Very high	11 Å²	11	35.7 Å²	35.7	6%	0.058	18%	0.178	C	C	.	.	H	α-helix	trans	-64.9	-40.7	175.3	-171.6	61.3	0	0	0	112	A390 I419 L426 L437 H438 P439 I440 L445 F446	A390-L442 HydrophobicContact CB-CD2 3.55Å; A390-L442 HydrophobicContact CB-CG 4.47Å; I419-L442 HydrophobicContact CD1-CD1 4.12Å; I419-L442 HydrophobicContact CG2-CD1 4.26Å; L426-L442 HydrophobicContact CD2-CD2 4.17Å; L437-L442 HydrophobicContact CD2-CB 4.3Å; L437-L442 HydrophobicContact CD2-CD1 3.93Å; H438-L442 PolarHBondContact O-N 3.08Å; H438-L442 VanDerWaalsContact O-N 3.09Å; P439-L442 PolarHBondContact O-N 2.96Å; I440-L442 PolarHBondContact O-N 2.88Å; L442-L445 PolarHBondContact O-N 2.95Å; L442-F446 HydrophobicContact CD1-CD1 4.17Å; L442-F446 HydrophobicContact CD1-CE1 3.3Å; L442-F446 HydrophobicContact CD1-CZ 3.77Å; L442-F446 HydrophobicContact CD2-CE1 4.38Å; L442-F446 HydrophobicContact CD2-CZ 4Å; L442-F446 HydrophobicContact CG-CD1 4.33Å; L442-F446 HydrophobicContact CG-CE1 3.54Å; L442-F446 HydrophobicContact CG-CE2 4.34Å; L442-F446 HydrophobicContact CG-CZ 3.56Å; L442-F446 WeakPolarHBondContact O-CD1 3.43Å; L442-F446 VanDerWaalsContact O-CG 3.25Å; L442-F446 WeakPolarHBondContact O-CG 3.46Å; L442-F446 PolarHBondContact O-N 2.81Å
443	H	96.6	Very high	92.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-66.9	-37	173.9	-63.7	173.6	0	0	0	112.5	Y335 S384 F385 A389 A390 P439 I440 F446 N447	Y335-H443 HydrophobicContact CE1-CB 4.12Å; Y335-H443 AromaticContact CE1-ND1 3.7Å; Y335-H443 AromaticContact CZ-ND1 3.7Å; Y335-H443 PolarHBondContact OH-CE1 3Å; Y335-H443 PolarHBondContact OH-ND1 2.86Å; Y335-H443 VanDerWaalsContact OH-ND1 3.08Å; S384-H443 PolarHBondContact O-CE1 3.37Å; F385-H443 VanDerWaalsContact CA-CE1 3.43Å; F385-H443 WeakPolarHBondContact CA-CE1 3.48Å; F385-H443 HydrophobicContact CD1-CB 4.46Å; F385-H443 AromaticContact CD1-ND1 3.59Å; F385-H443 HydrophobicContact CE1-CB 3.73Å; F385-H443 AromaticContact CE1-CG 3.96Å; F385-H443 AromaticContact CE1-ND1 3.7Å; F385-H443 HydrophobicContact CZ-CB 4.17Å; F385-H443 PolarHBondContact N-CE1 2.81Å; F385-H443 VanDerWaalsContact N-CE1 3.32Å; A389-H443 PolarHBondContact N-CE1 2.93Å; A389-H443 VanDerWaalsContact N-CE1 3.29Å; A389-H443 PolarHBondContact O-CE1 2.81Å; A389-H443 VanDerWaalsContact O-CE1 3.25Å; A389-H443 PolarHBondContact O-NE2 2.84Å; A390-H443 WeakPolarHBondContact CA-NE2 3.38Å; A390-H443 PolarHBondContact N-NE2 3.09Å; P439-H443 PolarHBondContact O-CD2 3.3Å; P439-H443 VanDerWaalsContact O-CD2 3.23Å; P439-H443 PolarHBondContact O-N 3.09Å; I440-H443 PolarHBondContact O-N 2.89Å; I440-H443 VanDerWaalsContact O-N 3.08Å; H443-F446 PolarHBondContact O-N 2.98Å; H443-N447 VanDerWaalsContact O-CB 3.3Å; H443-N447 WeakPolarHBondContact O-CB 3.27Å; H443-N447 PolarHBondContact O-N 3.46Å
444	L	96.7	Very high	91.8	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-40	175.3	-65.3	172.6	0	0	0	111.4	Q339 L375 I440 D441 N447 L448 P467	Q339-L444 HydrophobicContact CB-CD2 3.92Å; L375-L444 HydrophobicContact CD2-CD2 4Å; I440-L444 HydrophobicContact CG2-CD1 4.01Å; I440-L444 HydrophobicContact CG2-CG 4.39Å; I440-L444 WeakPolarHBondContact O-CG 3.43Å; I440-L444 PolarHBondContact O-N 3.2Å; D441-L444 PolarHBondContact O-N 2.77Å; L444-N447 PolarHBondContact O-N 3.28Å; L444-L448 WeakPolarHBondContact O-CB 3.34Å; L444-L448 PolarHBondContact O-N 3.41Å; L444-P467 HydrophobicContact CD1-CG 4.11Å
445	L	96.2	Very high	91.8	Very high	2 Å²	2	27 Å²	27	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-40.5	172.4	-72.1	165.7	0	0	0	112.3	I419 L437 D441 L442 I449 V464 L466 L491	I419-L445 HydrophobicContact CD1-CD1 4.27Å; L437-L445 HydrophobicContact CD2-CD1 4.27Å; D441-L445 VanDerWaalsContact O-CG 3.3Å; D441-L445 WeakPolarHBondContact O-CG 3.29Å; D441-L445 PolarHBondContact O-N 3.11Å; L442-L445 PolarHBondContact O-N 2.95Å; L445-I449 WeakPolarHBondContact O-CD1 3.28Å; L445-I449 WeakPolarHBondContact O-CG1 3.29Å; L445-I449 PolarHBondContact O-N 3Å; L445-I449 VanDerWaalsContact O-N 3.09Å; L445-V464 HydrophobicContact CD2-CG1 4.35Å; L445-V464 HydrophobicContact CD2-CG2 4.1Å; L445-L466 HydrophobicContact CD1-CD2 3.76Å; L445-L466 HydrophobicContact CD2-CD2 4.01Å; L445-L466 HydrophobicContact CG-CD2 3.92Å; L445-L491 HydrophobicContact CB-CD2 4.1Å; L445-L491 HydrophobicContact CD1-CD2 3.93Å; L445-L491 HydrophobicContact CD2-CD2 3.94Å; L445-L491 HydrophobicContact CG-CD2 4.21Å
446	F	95.2	Very high	91.5	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-42.2	175	-65.7	3.3	0	0	0	111.1	L421 N424 L426 L442 H443 I449 S450	L421-F446 HydrophobicContact CD1-CD1 3.6Å; L421-F446 HydrophobicContact CD1-CE1 3.58Å; L421-F446 HydrophobicContact CD2-CD1 4.1Å; L421-F446 HydrophobicContact CD2-CE1 3.24Å; L421-F446 HydrophobicContact CD2-CZ 3.68Å; L421-F446 HydrophobicContact CG-CD1 4.48Å; L421-F446 HydrophobicContact CG-CE1 4.04Å; N424-F446 VanDerWaalsContact OD1-CB 3.28Å; N424-F446 WeakPolarHBondContact OD1-CB 3.34Å; N424-F446 VanDerWaalsContact OD1-CD2 3.29Å; N424-F446 WeakPolarHBondContact OD1-CD2 3.5Å; L426-F446 HydrophobicContact CB-CZ 4.34Å; L442-F446 HydrophobicContact CD1-CD1 4.17Å; L442-F446 HydrophobicContact CD1-CE1 3.3Å; L442-F446 HydrophobicContact CD1-CZ 3.77Å; L442-F446 HydrophobicContact CD2-CE1 4.38Å; L442-F446 HydrophobicContact CD2-CZ 4Å; L442-F446 HydrophobicContact CG-CD1 4.33Å; L442-F446 HydrophobicContact CG-CE1 3.54Å; L442-F446 HydrophobicContact CG-CE2 4.34Å; L442-F446 HydrophobicContact CG-CZ 3.56Å; L442-F446 WeakPolarHBondContact O-CD1 3.43Å; L442-F446 VanDerWaalsContact O-CG 3.25Å; L442-F446 WeakPolarHBondContact O-CG 3.46Å; L442-F446 PolarHBondContact O-N 2.81Å; H443-F446 PolarHBondContact O-N 2.98Å; F446-I449 PolarHBondContact O-N 2.72Å; F446-S450 WeakPolarHBondContact O-CB 3.49Å; F446-S450 PolarHBondContact O-N 2.84Å; F446-S450 PolarHBondContact O-OG 2.79Å
447	N	95.6	Very high	91.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-48.3	177	-176.3	51.6	0	0	0	111.1	Q339 I371 N374 L375 L378 H443 L444 I449 S450 S451	Q339-N447 PolarHBondContact OE1-ND2 2.78Å; I371-N447 WeakPolarHBondContact CG2-ND2 3.25Å; I371-N447 PolarHBondContact O-ND2 2.95Å; I371-N447 PolarHBondContact O-OD1 3.05Å; N374-N447 PolarHBondContact ND2-OD1 3.43Å; L375-N447 HydrophobicContact CD1-CB 4.05Å; L375-N447 PolarHBondContact N-OD1 3.39Å; L375-N447 VanDerWaalsContact N-OD1 3.17Å; L378-N447 HydrophobicContact CD1-CB 4.34Å; H443-N447 VanDerWaalsContact O-CB 3.3Å; H443-N447 WeakPolarHBondContact O-CB 3.27Å; H443-N447 PolarHBondContact O-N 3.46Å; L444-N447 PolarHBondContact O-N 3.28Å; N447-I449 PolarHBondContact O-N 3.02Å; N447-S450 WeakPolarHBondContact CA-OG 3.32Å; N447-S450 PolarHBondContact O-N 2.78Å; N447-S450 PolarHBondContact O-OG 3.14Å; N447-S450 VanDerWaalsContact O-OG 3.08Å; N447-S451 VanDerWaalsContact O-CB 3.29Å; N447-S451 WeakPolarHBondContact O-CB 3.3Å; N447-S451 PolarHBondContact O-N 3.02Å; N447-S451 PolarHBondContact O-OG 3.18Å; N447-S451 PolarHBondContact OD1-OG 2.9Å
448	L	94.3	Very high	90.9	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.052	20%	0.195	C	C	.	.	H	α-helix	trans	-53.2	-51.6	174.3	-179.4	65.1	0	0	0	111.8	L198 I371 L444 S450 S451 F455 V464 I479	L198-L448 HydrophobicContact CD2-CD1 3.85Å; I371-L448 HydrophobicContact CD1-CD1 4.14Å; L444-L448 WeakPolarHBondContact O-CB 3.34Å; L444-L448 PolarHBondContact O-N 3.41Å; L448-S450 PolarHBondContact O-N 3.3Å; L448-S451 PolarHBondContact O-N 3.44Å; L448-F455 HydrophobicContact CD1-CE2 4.5Å; L448-F455 HydrophobicContact CG-CE2 4.26Å; L448-V464 HydrophobicContact CD2-CG2 4.19Å; L448-I479 HydrophobicContact CD2-CD1 4.31Å
449	I	93	Very high	90.9	Very high	13 Å²	13	33.8 Å²	33.8	7%	0.067	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-37.4	-179.1	-67.7	165.2	0	0	0	112.2	L421 L445 F446 N447 I479 C489 L491	L421-I449 HydrophobicContact CD1-CD1 3.73Å; L445-I449 WeakPolarHBondContact O-CD1 3.28Å; L445-I449 WeakPolarHBondContact O-CG1 3.29Å; L445-I449 PolarHBondContact O-N 3Å; L445-I449 VanDerWaalsContact O-N 3.09Å; F446-I449 PolarHBondContact O-N 2.72Å; N447-I449 PolarHBondContact O-N 3.02Å; I449-I479 HydrophobicContact CG1-CD1 4.1Å; I449-I479 HydrophobicContact CG1-CG2 4.08Å; I449-C489 HydrophobicContact CG2-CB 4.22Å; I449-L491 HydrophobicContact CD1-CB 4.44Å; I449-L491 HydrophobicContact CD1-CD2 4.25Å
450	S	90.9	Very high	90.8	Very high	61 Å²	61	33.4 Å²	33.4	43%	0.427	19%	0.191	S	C	.	.	H	α-helix	trans	-79.9	-22.2	-179.4	64	0	0	0	0	114.2	N374 F446 N447 L448	N374-S450 PolarHBondContact ND2-OG 3.12Å; N374-S450 VanDerWaalsContact ND2-OG 3.07Å; F446-S450 WeakPolarHBondContact O-CB 3.49Å; F446-S450 PolarHBondContact O-N 2.84Å; F446-S450 PolarHBondContact O-OG 2.79Å; N447-S450 WeakPolarHBondContact CA-OG 3.32Å; N447-S450 PolarHBondContact O-N 2.78Å; N447-S450 PolarHBondContact O-OG 3.14Å; N447-S450 VanDerWaalsContact O-OG 3.08Å; L448-S450 PolarHBondContact O-N 3.3Å
451	S	89.2	Confident	90.7	Very high	27 Å²	27	34.6 Å²	34.6	19%	0.189	20%	0.195	C	C	.	.	H	α-helix	trans	-79.6	-15.8	-178.7	-58.3	0	0	0	0	113.9	N374 N447 L448	N374-S451 WeakPolarHBondContact CB-OG 3.47Å; N374-S451 PolarHBondContact ND2-OG 3.25Å; N447-S451 VanDerWaalsContact O-CB 3.29Å; N447-S451 WeakPolarHBondContact O-CB 3.3Å; N447-S451 PolarHBondContact O-N 3.02Å; N447-S451 PolarHBondContact O-OG 3.18Å; N447-S451 PolarHBondContact OD1-OG 2.9Å; L448-S451 PolarHBondContact O-N 3.44Å
452	S	84.1	Confident	90.5	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.063	20%	0.196	C	C	.	.			trans	-131.2	112.1	-172.1	-70.1	0	0	0	0	112.5	L198 S454	L198-S452 WeakPolarHBondContact CD2-OG 3.46Å; S452-S454 VanDerWaalsContact C-N 3.28Å; S452-S454 PolarHBondContact O-N 2.81Å
453	S	79.7	Confident	90.4	Very high	96 Å²	96	34.5 Å²	34.5	67%	0.671	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-66.2	-28.3	175.4	49.5	0	0	0	0	113.2	F455 R456	S453-F455 PolarHBondContact O-N 3.41Å; S453-F455 VanDerWaalsContact O-N 3.08Å; S453-R456 WeakPolarHBondContact O-CB 3.35Å; S453-R456 PolarHBondContact O-N 2.83Å
454	S	82.9	Confident	90.3	Very high	39 Å²	39	34.7 Å²	34.7	27%	0.273	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-52.1	-32.8	-179.2	-36.7	0	0	0	0	113.1	Q197 S452 R456 E457	Q197-S454 WeakPolarHBondContact O-CB 3.35Å; Q197-S454 PolarHBondContact O-OG 2.85Å; Q197-S454 VanDerWaalsContact O-OG 3.07Å; S452-S454 VanDerWaalsContact C-N 3.28Å; S452-S454 PolarHBondContact O-N 2.81Å; S454-R456 PolarHBondContact O-N 3.19Å; S454-R456 VanDerWaalsContact O-N 3.12Å; S454-E457 PolarHBondContact O-N 3.28Å
455	F	84.7	Confident	90.2	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.013	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-65.1	-14.3	178.7	-60.5	-40.6	0	0	0	114.4	L198 L448 S453 E457 A460 I479 Y481	L198-F455 HydrophobicContact CD2-CE2 4.2Å; L198-F455 HydrophobicContact CD2-CZ 3.83Å; L448-F455 HydrophobicContact CD1-CE2 4.5Å; L448-F455 HydrophobicContact CG-CE2 4.26Å; S453-F455 PolarHBondContact O-N 3.41Å; S453-F455 VanDerWaalsContact O-N 3.08Å; F455-E457 VanDerWaalsContact C-N 3.28Å; F455-A460 HydrophobicContact CD1-CB 3.43Å; F455-A460 VanDerWaalsContact CD1-CB 3.43Å; F455-A460 HydrophobicContact CE1-CB 3.66Å; F455-I479 HydrophobicContact CB-CG2 3.95Å; F455-I479 HydrophobicContact CD1-CB 4.49Å; F455-I479 HydrophobicContact CD1-CD1 4.47Å; F455-I479 HydrophobicContact CD1-CG2 4.42Å; F455-I479 HydrophobicContact CD2-CD1 4.34Å; F455-I479 HydrophobicContact CD2-CG2 4.35Å; F455-I479 HydrophobicContact CE1-CD1 4.19Å; F455-I479 HydrophobicContact CE2-CD1 4.04Å; F455-I479 HydrophobicContact CG-CG2 4.01Å; F455-I479 HydrophobicContact CZ-CD1 3.96Å; F455-Y481 HydrophobicContact CB-CE2 4.24Å; F455-Y481 VanDerWaalsContact O-CD2 3.29Å; F455-Y481 WeakPolarHBondContact O-CD2 3.49Å
456	R	84.1	Confident	90.3	Very high	114 Å²	114	34.5 Å²	34.5	43%	0.43	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-74.5	-20.4	171.1	-65.7	-173.7	176.8	-102.2	2	112.4	S453 S454 G458 Y481 D487	S453-R456 WeakPolarHBondContact O-CB 3.35Å; S453-R456 PolarHBondContact O-N 2.83Å; S454-R456 PolarHBondContact O-N 3.19Å; S454-R456 VanDerWaalsContact O-N 3.12Å; R456-G458 PolarHBondContact O-N 3.24Å; R456-Y481 HydrophobicContact CB-CD2 4.4Å; R456-Y481 HydrophobicContact CG-CD1 4.48Å; R456-Y481 HydrophobicContact CG-CD2 3.89Å; R456-Y481 HydrophobicContact CG-CE1 4.31Å; R456-Y481 HydrophobicContact CG-CE2 3.7Å; R456-Y481 HydrophobicContact CG-CG 4.27Å; R456-D487 IonicContact CZ-OD1 3.11Å; R456-D487 IonicContact NH1-OD1 3.87Å; R456-D487 PolarHBondContact NH1-OD1 2.94Å; R456-D487 VanDerWaalsContact NH1-OD1 3.12Å; R456-D487 IonicContact NH2-OD1 2.64Å; R456-D487 PolarHBondContact NH2-OD1 2.99Å
457	E	82.4	Confident	90.3	Very high	178 Å²	178	34.7 Å²	34.7	83%	0.832	20%	0.197	S	C	*	.	S	Bend	trans	-94.9	73.2	-177.7	-63.3	-178.9	-166	0	0	110.8	S454 F455	S454-E457 PolarHBondContact O-N 3.28Å; F455-E457 VanDerWaalsContact C-N 3.28Å
458	G	86.9	Confident	90.3	Very high	40 Å²	40	38 Å²	38	41%	0.412	21%	0.212	S	C	.	.	S	Bend	trans	101.7	-128.7	169.9	0	0	0	0	0	115.3	R456	R456-G458 PolarHBondContact O-N 3.24Å
459	E	92.5	Very high	90.4	Very high	58 Å²	58	40.4 Å²	40.4	27%	0.271	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.2	179.2	-63.7	-175.5	-165	0	0	108.6	H478 F500 S504 R507	E459-H478 IonicContact OE2-CD2 2.67Å; E459-H478 IonicContact OE2-CE1 3.79Å; E459-H478 PolarHBondContact OE2-CE1 2.65Å; E459-H478 IonicContact OE2-NE2 3.27Å; E459-H478 PolarHBondContact OE2-NE2 2.88Å; E459-F500 HydrophobicContact CB-CE2 4.42Å; E459-S504 PolarHBondContact OE1-OG 3.17Å; E459-S504 WeakPolarHBondContact OE2-CB 3.21Å; E459-S504 PolarHBondContact OE2-OG 2.71Å; E459-R507 VanDerWaalsContact CG-NH1 3.29Å; E459-R507 WeakPolarHBondContact OE1-CD 3.49Å; E459-R507 IonicContact OE1-CZ 3.63Å; E459-R507 IonicContact OE1-NE 2.91Å; E459-R507 IonicContact OE1-NH1 3.04Å; E459-R507 PolarHBondContact OE1-NH1 3.29Å
460	A	93.2	Very high	90.4	Very high	14 Å²	14	43.1 Å²	43.1	12%	0.116	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	148.8	174.6	0	0	0	0	0	111.2	F455 H478 I479	F455-A460 HydrophobicContact CD1-CB 3.43Å; F455-A460 VanDerWaalsContact CD1-CB 3.43Å; F455-A460 HydrophobicContact CE1-CB 3.66Å; A460-H478 WeakPolarHBondContact O-CA 3.42Å; A460-I479 HydrophobicContact CB-CB 4.43Å; A460-I479 PolarHBondContact N-O 3.42Å; A460-I479 PolarHBondContact O-N 3.25Å
461	W	93.9	Very high	90.5	Very high	38 Å²	38	41.9 Å²	41.9	14%	0.144	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	101.7	178.8	-173.7	-118.6	0	0	0	108.1	Q197 H476 A477 H478 D496 R497 F500 V503	Q197-W461 PolarHBondContact NE2-O 3.28Å; Q197-W461 PolarHBondContact OE1-O 3.3Å; W461-H476 HydrophobicContact CD2-CB 4.12Å; W461-H476 AromaticContact CE2-CD2 3.9Å; W461-H476 HydrophobicContact CE3-CB 4.25Å; W461-H476 HydrophobicContact CH2-CB 3.57Å; W461-H476 HydrophobicContact CZ2-CB 3.36Å; W461-H476 HydrophobicContact CZ3-CB 3.98Å; W461-H476 AromaticContact NE1-CD2 3.57Å; W461-A477 WeakPolarHBondContact CA-O 3.34Å; W461-H478 HydrophobicContact CE3-CB 3.75Å; W461-H478 HydrophobicContact CZ3-CB 3.77Å; W461-D496 WeakPolarHBondContact CZ2-O 3.47Å; W461-R497 WeakPolarHBondContact CZ2-O 3.48Å; W461-R497 PolarHBondContact NE1-O 2.9Å; W461-F500 HydrophobicContact CB-CD2 3.7Å; W461-F500 HydrophobicContact CB-CE2 4.12Å; W461-F500 HydrophobicContact CD2-CB 4.16Å; W461-F500 HydrophobicContact CD2-CD2 4Å; W461-F500 HydrophobicContact CE3-CD2 4.27Å; W461-F500 HydrophobicContact CG-CB 4.29Å; W461-F500 AromaticContact CG-CD2 3.81Å; W461-F500 HydrophobicContact CG-CD2 3.81Å; W461-F500 HydrophobicContact CG-CG 4.43Å; W461-F500 HydrophobicContact CZ2-CB 4.42Å; W461-V503 HydrophobicContact CH2-CG2 4.33Å; W461-V503 HydrophobicContact CZ3-CB 4.48Å; W461-V503 HydrophobicContact CZ3-CG1 4.49Å; W461-V503 HydrophobicContact CZ3-CG2 4.44Å
462	T	91.9	Very high	90.6	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.5	-164.3	162.4	0	0	0	0	109.6	L194 V464 A477 I479	L194-T462 WeakPolarHBondContact CD2-OG1 3.48Å; T462-V464 PolarHBondContact O-N 3.25Å; T462-A477 HydrophobicContact CG2-CB 4.06Å; T462-A477 WeakPolarHBondContact CG2-O 3.48Å; T462-A477 PolarHBondContact N-O 3.5Å; T462-A477 PolarHBondContact O-N 3.17Å; T462-I479 HydrophobicContact CG2-CD1 3.55Å; T462-I479 HydrophobicContact CG2-CG1 4.02Å
463	P	93.7	Very high	90.9	Very high	7 Å²	7	43.9 Å²	43.9	5%	0.045	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	134.1	169.1	23.5	-30.4	0	0	0	110.1	L194 F474 F475	L194-P463 HydrophobicContact CD1-CG 4.05Å; L194-P463 HydrophobicContact CD2-CG 3.89Å; L194-P463 WeakPolarHBondContact CD2-O 3.3Å; L194-P463 HydrophobicContact CG-CG 3.84Å; P463-F474 HydrophobicContact CB-CB 4.38Å; P463-F474 HydrophobicContact CB-CD1 4.01Å; P463-F474 HydrophobicContact CB-CG 4.21Å; P463-F475 CarbonylContact C-O 3.58Å; P463-F475 WeakPolarHBondContact CA-O 3.36Å
464	V	94.5	Very high	91.5	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.036	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	132.2	179	67.6	0	0	0	0	110.4	L445 L448 T462 F475 A477	L445-V464 HydrophobicContact CD2-CG1 4.35Å; L445-V464 HydrophobicContact CD2-CG2 4.1Å; L448-V464 HydrophobicContact CD2-CG2 4.19Å; T462-V464 PolarHBondContact O-N 3.25Å; V464-F475 PolarHBondContact N-O 3.42Å; V464-F475 PolarHBondContact O-N 2.79Å; V464-A477 HydrophobicContact CB-CB 4.48Å; V464-A477 HydrophobicContact CG1-CB 3.62Å
465	C	96	Very high	92.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	144.9	170	-176.6	0	0	0	0	109.4	L341 S342 T345 P467 N470 G473 F474	L341-C465 VanDerWaalsContact O-CB 3.25Å; L341-C465 WeakPolarHBondContact O-CB 3.41Å; S342-C465 WeakPolarHBondContact CA-O 2.99Å; S342-C465 WeakPolarHBondContact CB-O 3.43Å; S342-C465 PolarHBondContact O-N 3.04Å; T345-C465 HydrophobicContact CG2-CB 3.76Å; C465-P467 WeakPolarHBondContact O-CD 3.43Å; C465-N470 PolarHBondContact SG-O 2.73Å; C465-N470 VanDerWaalsContact SG-O 3.36Å; C465-G473 PolarHBondContact SG-O 3.07Å; C465-G473 VanDerWaalsContact SG-O 3.37Å; C465-F474 HydrophobicContact CB-CD1 4.1Å; C465-F474 HydrophobicContact CB-CE1 4.18Å
466	L	97	Very high	92.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	88.8	178.4	-60.4	-179.8	0	0	0	108	F417 L437 D441 L445 K468 F469 N470 F475 V493	F417-L466 HydrophobicContact CD2-CD1 4.16Å; F417-L466 HydrophobicContact CE2-CD1 3.9Å; L437-L466 HydrophobicContact CD1-CD1 4.03Å; D441-L466 HydrophobicContact CB-CB 4.32Å; D441-L466 HydrophobicContact CB-CD2 4.3Å; L445-L466 HydrophobicContact CD1-CD2 3.76Å; L445-L466 HydrophobicContact CD2-CD2 4.01Å; L445-L466 HydrophobicContact CG-CD2 3.92Å; L466-K468 VanDerWaalsContact C-N 3.34Å; L466-K468 PolarHBondContact O-N 3.04Å; L466-F469 HydrophobicContact CB-CB 3.89Å; L466-F469 HydrophobicContact CD1-CD1 4.23Å; L466-F469 PolarHBondContact O-N 3.15Å; L466-N470 CarbonylContact O-C 3.4Å; L466-N470 PolarHBondContact O-N 3.22Å; L466-F475 HydrophobicContact CB-CD2 4.38Å; L466-F475 HydrophobicContact CB-CE2 4.29Å; L466-F475 HydrophobicContact CD1-CD2 4.02Å; L466-F475 HydrophobicContact CD1-CE2 4.27Å; L466-F475 HydrophobicContact CG-CD2 3.97Å; L466-F475 HydrophobicContact CG-CE2 4.32Å; L466-V493 HydrophobicContact CD1-CG1 4.19Å
467	P	96	Very high	93.2	Very high	10 Å²	10	36.4 Å²	36.4	7%	0.065	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-30.2	-161.3	-27.4	36.3	0	0	0	116.3	Y338 L341 D441 L444 C465 A471	Y338-P467 HydrophobicContact CD1-CB 3.59Å; Y338-P467 HydrophobicContact CD1-CG 4.39Å; Y338-P467 HydrophobicContact CE1-CB 4.35Å; Y338-P467 HydrophobicContact CG-CB 4.17Å; Y338-P467 WeakPolarHBondContact O-CG 3.43Å; L341-P467 HydrophobicContact CB-CB 4.1Å; L341-P467 HydrophobicContact CB-CG 3.75Å; L341-P467 HydrophobicContact CD1-CB 4.33Å; D441-P467 VanDerWaalsContact OD1-CD 3.31Å; D441-P467 WeakPolarHBondContact OD1-CD 3.33Å; D441-P467 VanDerWaalsContact OD1-N 3.16Å; L444-P467 HydrophobicContact CD1-CG 4.11Å; C465-P467 WeakPolarHBondContact O-CD 3.43Å; P467-A471 WeakPolarHBondContact O-CB 3.35Å
468	K	95.8	Very high	93.9	Very high	71 Å²	71	28 Å²	28	31%	0.309	17%	0.165	S	C	.	.	H	α-helix	trans	-91.4	-11.2	176.5	-64.3	-62.7	-64.1	-174.9	0	113.4	D156 Y338 H438 I440 D441 L466	D156-K468 IonicContact OD2-NZ 3.31Å; D156-K468 PolarHBondContact OD2-NZ 2.78Å; Y338-K468 HydrophobicContact CE1-CD 4.09Å; Y338-K468 HydrophobicContact CE2-CD 4.09Å; H438-K468 HydrophobicContact CB-CB 3.59Å; H438-K468 HydrophobicContact CB-CG 4.44Å; I440-K468 HydrophobicContact CB-CG 4.24Å; I440-K468 HydrophobicContact CD1-CG 4.18Å; I440-K468 HydrophobicContact CG2-CG 4.42Å; D441-K468 PolarHBondContact OD1-N 2.65Å; D441-K468 PolarHBondContact OD2-N 2.77Å; L466-K468 VanDerWaalsContact C-N 3.34Å; L466-K468 PolarHBondContact O-N 3.04Å
469	F	95.2	Very high	94.3	Very high	60 Å²	60	26 Å²	26	26%	0.263	15%	0.146	S	C	.	.	H	α-helix	trans	-92.7	-51	171.9	-178.8	-112.5	0	0	0	112.2	V416 F417 Q435 F436 D441 L466 F475	V416-F469 HydrophobicContact CG1-CE1 4.03Å; V416-F469 HydrophobicContact CG1-CZ 4.02Å; F417-F469 HydrophobicContact CE2-CD1 4.06Å; F417-F469 HydrophobicContact CE2-CD2 4.49Å; F417-F469 HydrophobicContact CE2-CE1 4Å; F417-F469 HydrophobicContact CE2-CE2 4.45Å; F417-F469 HydrophobicContact CE2-CG 4.31Å; F417-F469 HydrophobicContact CE2-CZ 4.21Å; F417-F469 HydrophobicContact CZ-CD1 4.37Å; F417-F469 HydrophobicContact CZ-CD2 4.03Å; F417-F469 HydrophobicContact CZ-CE1 4.18Å; F417-F469 AromaticContact CZ-CE2 3.84Å; F417-F469 HydrophobicContact CZ-CE2 3.84Å; F417-F469 HydrophobicContact CZ-CG 4.29Å; F417-F469 AromaticContact CZ-CZ 3.92Å; F417-F469 HydrophobicContact CZ-CZ 3.92Å; Q435-F469 HydrophobicContact CB-CE2 4.02Å; Q435-F469 HydrophobicContact CB-CZ 4.18Å; Q435-F469 HydrophobicContact CG-CE2 4.44Å; Q435-F469 HydrophobicContact CG-CZ 4.35Å; F436-F469 WeakPolarHBondContact O-CD2 3.46Å; D441-F469 PolarHBondContact OD2-N 3.34Å; L466-F469 HydrophobicContact CB-CB 3.89Å; L466-F469 HydrophobicContact CD1-CD1 4.23Å; L466-F469 PolarHBondContact O-N 3.15Å; F469-F475 HydrophobicContact CD1-CE1 4.34Å; F469-F475 AromaticContact CD1-CE2 3.87Å; F469-F475 HydrophobicContact CD1-CE2 3.87Å; F469-F475 AromaticContact CD1-CZ 3.54Å; F469-F475 HydrophobicContact CD1-CZ 3.54Å; F469-F475 AromaticContact CE1-CE1 3.9Å; F469-F475 HydrophobicContact CE1-CE1 3.9Å; F469-F475 HydrophobicContact CE1-CE2 4.26Å; F469-F475 AromaticContact CE1-CZ 3.48Å; F469-F475 HydrophobicContact CE1-CZ 3.48Å; F469-F475 VanDerWaalsContact CE1-CZ 3.48Å
470	N	94.4	Very high	94.4	Very high	69 Å²	69	23.3 Å²	23.3	37%	0.369	13%	0.133	S	C	.	.	H	α-helix	trans	-156.2	99.3	171.1	178.2	11.2	0	0	0	110.3	C465 L466 A472 F475	C465-N470 PolarHBondContact SG-O 2.73Å; C465-N470 VanDerWaalsContact SG-O 3.36Å; L466-N470 CarbonylContact O-C 3.4Å; L466-N470 PolarHBondContact O-N 3.22Å; N470-A472 PolarHBondContact O-N 2.75Å; N470-A472 PolarHBondContact OD1-N 3.08Å; N470-F475 HydrophobicContact CB-CE2 4.06Å; N470-F475 HydrophobicContact CB-CZ 4.02Å
471	A	92.8	Very high	94.4	Very high	36 Å²	36	23.8 Å²	23.8	30%	0.298	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-14.8	177.4	0	0	0	0	0	114.6	L341 T345 G346 P467	L341-A471 HydrophobicContact CD1-CB 4.47Å; T345-A471 WeakPolarHBondContact CB-O 3.36Å; G346-A471 PolarHBondContact N-O 2.86Å; P467-A471 WeakPolarHBondContact O-CB 3.35Å
472	A	91	Very high	94.3	Very high	57 Å²	57	22.4 Å²	22.4	47%	0.471	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-6.4	-170.1	0	0	0	0	0	114.5	A347 N470	A347-A472 HydrophobicContact CB-CB 4.38Å; A347-A472 WeakPolarHBondContact CB-O 3.47Å; N470-A472 PolarHBondContact O-N 2.75Å; N470-A472 PolarHBondContact OD1-N 3.08Å
473	G	90.4	Very high	93.9	Very high	21 Å²	21	23.8 Å²	23.8	22%	0.216	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158.8	-174.6	0	0	0	0	0	114.3	C465	C465-G473 PolarHBondContact SG-O 3.07Å; C465-G473 VanDerWaalsContact SG-O 3.37Å
474	F	92.6	Very high	93.1	Very high	48 Å²	48	28.9 Å²	28.9	21%	0.211	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	143.2	170.9	-74.4	-69.8	0	0	0	111.6	L343 T345 P463 C465	L343-F474 WeakPolarHBondContact O-CZ 3.31Å; T345-F474 HydrophobicContact CG2-CD1 4.04Å; T345-F474 HydrophobicContact CG2-CD2 3.67Å; T345-F474 HydrophobicContact CG2-CE1 3.99Å; T345-F474 HydrophobicContact CG2-CE2 3.62Å; T345-F474 HydrophobicContact CG2-CG 3.89Å; T345-F474 HydrophobicContact CG2-CZ 3.78Å; P463-F474 HydrophobicContact CB-CB 4.38Å; P463-F474 HydrophobicContact CB-CD1 4.01Å; P463-F474 HydrophobicContact CB-CG 4.21Å; C465-F474 HydrophobicContact CB-CD1 4.1Å; C465-F474 HydrophobicContact CB-CE1 4.18Å
475	F	95.4	Very high	92.4	Very high	13 Å²	13	35.1 Å²	35.1	6%	0.057	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	166.1	157.7	-58.5	-87.4	0	0	0	108	V416 P463 V464 L466 F469 N470 V493 S494 T495	V416-F475 HydrophobicContact CG2-CD1 4.3Å; V416-F475 HydrophobicContact CG2-CE1 4.32Å; P463-F475 CarbonylContact C-O 3.58Å; P463-F475 WeakPolarHBondContact CA-O 3.36Å; V464-F475 PolarHBondContact N-O 3.42Å; V464-F475 PolarHBondContact O-N 2.79Å; L466-F475 HydrophobicContact CB-CD2 4.38Å; L466-F475 HydrophobicContact CB-CE2 4.29Å; L466-F475 HydrophobicContact CD1-CD2 4.02Å; L466-F475 HydrophobicContact CD1-CE2 4.27Å; L466-F475 HydrophobicContact CG-CD2 3.97Å; L466-F475 HydrophobicContact CG-CE2 4.32Å; F469-F475 HydrophobicContact CD1-CE1 4.34Å; F469-F475 AromaticContact CD1-CE2 3.87Å; F469-F475 HydrophobicContact CD1-CE2 3.87Å; F469-F475 AromaticContact CD1-CZ 3.54Å; F469-F475 HydrophobicContact CD1-CZ 3.54Å; F469-F475 AromaticContact CE1-CE1 3.9Å; F469-F475 HydrophobicContact CE1-CE1 3.9Å; F469-F475 HydrophobicContact CE1-CE2 4.26Å; F469-F475 AromaticContact CE1-CZ 3.48Å; F469-F475 HydrophobicContact CE1-CZ 3.48Å; F469-F475 VanDerWaalsContact CE1-CZ 3.48Å; N470-F475 HydrophobicContact CB-CE2 4.06Å; N470-F475 HydrophobicContact CB-CZ 4.02Å; F475-V493 HydrophobicContact CB-CG1 3.51Å; F475-V493 HydrophobicContact CD1-CG1 4.16Å; F475-V493 HydrophobicContact CG-CG1 3.88Å; F475-S494 WeakPolarHBondContact CA-O 3.25Å; F475-S494 WeakPolarHBondContact CB-O 3.35Å; F475-T495 HydrophobicContact CD1-CG2 4.38Å; F475-T495 HydrophobicContact CE1-CG2 4.28Å
476	H	95.1	Very high	91.9	Very high	34 Å²	34	35.4 Å²	35.4	16%	0.157	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.9	169.5	-73.1	61.6	0	0	0	109.4	W461 S494 R497	W461-H476 HydrophobicContact CD2-CB 4.12Å; W461-H476 AromaticContact CE2-CD2 3.9Å; W461-H476 HydrophobicContact CE3-CB 4.25Å; W461-H476 HydrophobicContact CH2-CB 3.57Å; W461-H476 HydrophobicContact CZ2-CB 3.36Å; W461-H476 HydrophobicContact CZ3-CB 3.98Å; W461-H476 AromaticContact NE1-CD2 3.57Å; H476-S494 PolarHBondContact N-O 3.42Å; H476-S494 WeakPolarHBondContact O-CB 3.47Å; H476-S494 PolarHBondContact O-N 3.12Å; H476-R497 WeakPolarHBondContact CE1-CB 3.46Å
477	A	96.2	Very high	91.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.7	177.1	0	0	0	0	0	110	W461 T462 V464 I479 L491 F492	W461-A477 WeakPolarHBondContact CA-O 3.34Å; T462-A477 HydrophobicContact CG2-CB 4.06Å; T462-A477 WeakPolarHBondContact CG2-O 3.48Å; T462-A477 PolarHBondContact N-O 3.5Å; T462-A477 PolarHBondContact O-N 3.17Å; V464-A477 HydrophobicContact CB-CB 4.48Å; V464-A477 HydrophobicContact CG1-CB 3.62Å; A477-I479 HydrophobicContact CB-CG1 4.31Å; A477-L491 HydrophobicContact CB-CD1 3.65Å; A477-F492 CarbonylContact C-O 3.58Å; A477-F492 WeakPolarHBondContact CA-O 3.31Å
478	H	96.5	Very high	91.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	119.2	162.8	-178.2	-88.5	0	0	0	108.3	E459 A460 W461 S480 L491 F492 F500 V503	E459-H478 IonicContact OE2-CD2 2.67Å; E459-H478 IonicContact OE2-CE1 3.79Å; E459-H478 PolarHBondContact OE2-CE1 2.65Å; E459-H478 IonicContact OE2-NE2 3.27Å; E459-H478 PolarHBondContact OE2-NE2 2.88Å; A460-H478 WeakPolarHBondContact O-CA 3.42Å; W461-H478 HydrophobicContact CE3-CB 3.75Å; W461-H478 HydrophobicContact CZ3-CB 3.77Å; H478-S480 PolarHBondContact CE1-OG 3.19Å; H478-L491 VanDerWaalsContact O-CA 3.32Å; H478-L491 WeakPolarHBondContact O-CA 3.47Å; H478-F492 HydrophobicContact CB-CB 4.18Å; H478-F492 PolarHBondContact N-O 3.02Å; H478-F492 AromaticContact ND1-CD2 3.96Å; H478-F492 PolarHBondContact O-N 3.25Å; H478-F500 AromaticContact CD2-CE2 3.96Å; H478-V503 HydrophobicContact CB-CB 4.5Å; H478-V503 HydrophobicContact CB-CG1 3.47Å; H478-V503 VanDerWaalsContact CB-CG1 3.47Å
479	I	96	Very high	91.5	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125	-179.2	-54.4	-179.7	0	0	0	107.7	L448 I449 F455 A460 T462 A477 L491	L448-I479 HydrophobicContact CD2-CD1 4.31Å; I449-I479 HydrophobicContact CG1-CD1 4.1Å; I449-I479 HydrophobicContact CG1-CG2 4.08Å; F455-I479 HydrophobicContact CB-CG2 3.95Å; F455-I479 HydrophobicContact CD1-CB 4.49Å; F455-I479 HydrophobicContact CD1-CD1 4.47Å; F455-I479 HydrophobicContact CD1-CG2 4.42Å; F455-I479 HydrophobicContact CD2-CD1 4.34Å; F455-I479 HydrophobicContact CD2-CG2 4.35Å; F455-I479 HydrophobicContact CE1-CD1 4.19Å; F455-I479 HydrophobicContact CE2-CD1 4.04Å; F455-I479 HydrophobicContact CG-CG2 4.01Å; F455-I479 HydrophobicContact CZ-CD1 3.96Å; A460-I479 HydrophobicContact CB-CB 4.43Å; A460-I479 PolarHBondContact N-O 3.42Å; A460-I479 PolarHBondContact O-N 3.25Å; T462-I479 HydrophobicContact CG2-CD1 3.55Å; T462-I479 HydrophobicContact CG2-CG1 4.02Å; A477-I479 HydrophobicContact CB-CG1 4.31Å; I479-L491 HydrophobicContact CG1-CD1 3.97Å
480	S	94.8	Very high	91.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	137.6	175.2	62.8	0	0	0	0	112.7	H478 L490 R507	H478-S480 PolarHBondContact CE1-OG 3.19Å; S480-L490 PolarHBondContact N-O 3.25Å; S480-L490 PolarHBondContact O-N 3.43Å; S480-R507 VanDerWaalsContact CB-NE 3.34Å; S480-R507 WeakPolarHBondContact OG-CD 3.3Å; S480-R507 PolarHBondContact OG-NE 3.49Å
481	Y	93.8	Very high	91.6	Very high	25 Å²	25	27.9 Å²	27.9	10%	0.098	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	143	169.9	-74.3	-105.2	0	0	0	109.9	F455 R456 L488 C489 R507	F455-Y481 HydrophobicContact CB-CE2 4.24Å; F455-Y481 VanDerWaalsContact O-CD2 3.29Å; F455-Y481 WeakPolarHBondContact O-CD2 3.49Å; R456-Y481 HydrophobicContact CB-CD2 4.4Å; R456-Y481 HydrophobicContact CG-CD1 4.48Å; R456-Y481 HydrophobicContact CG-CD2 3.89Å; R456-Y481 HydrophobicContact CG-CE1 4.31Å; R456-Y481 HydrophobicContact CG-CE2 3.7Å; R456-Y481 HydrophobicContact CG-CG 4.27Å; Y481-L488 CarbonylContact C-O 3.47Å; Y481-L488 WeakPolarHBondContact CA-O 3.4Å; Y481-C489 HydrophobicContact CD1-CB 4.26Å; Y481-C489 HydrophobicContact CD2-CB 4.48Å; Y481-C489 HydrophobicContact CE1-CB 4.01Å; Y481-C489 HydrophobicContact CE2-CB 4.25Å; Y481-C489 HydrophobicContact CG-CB 4.5Å; Y481-R507 PolarHBondContact O-NH2 3.4Å
482	L	90.6	Very high	91.9	Very high	9 Å²	9	26.2 Å²	26.2	5%	0.047	15%	0.153	C	C	.	.	S	Bend	trans	-76.4	-38.9	-176.3	-65.5	-177.7	0	0	0	112.7	L420 L488 L490 F510 Q511 L514	L420-L482 HydrophobicContact CD1-CD1 3.85Å; L482-L488 HydrophobicContact CB-CB 4.26Å; L482-L488 HydrophobicContact CD1-CB 4Å; L482-L488 HydrophobicContact CD1-CD1 4.31Å; L482-L488 HydrophobicContact CG-CB 4.23Å; L482-L488 PolarHBondContact N-O 2.97Å; L482-L490 HydrophobicContact CD2-CB 3.98Å; L482-L490 HydrophobicContact CD2-CD2 4.15Å; L482-F510 HydrophobicContact CD1-CE1 3.9Å; L482-F510 HydrophobicContact CD2-CD1 4.21Å; L482-F510 HydrophobicContact CD2-CE1 4.08Å; L482-Q511 PolarHBondContact O-NE2 3.44Å; L482-L514 HydrophobicContact CD1-CD2 3.9Å
483	E	83.3	Confident	92.1	Very high	30 Å²	30	23.5 Å²	23.5	14%	0.14	13%	0.131	C	C	.	.	S	Bend	trans	-145	138.2	178.8	-54.5	-172.7	152.1	0	0	108.4	D485 T486 R515 R524	E483-D485 VanDerWaalsContact C-N 3.28Å; E483-D485 PolarHBondContact O-N 3.12Å; E483-T486 HydrophobicContact CB-CG2 4Å; E483-T486 PolarHBondContact O-N 3.08Å; E483-T486 PolarHBondContact O-OG1 2.95Å; E483-R515 IonicContact OE1-CZ 2.71Å; E483-R515 IonicContact OE1-NE 3.85Å; E483-R515 IonicContact OE1-NH2 3.79Å; E483-R515 PolarHBondContact OE1-NH2 2.94Å; E483-R524 IonicContact OE2-CZ 3.59Å; E483-R524 IonicContact OE2-NH1 3.91Å; E483-R524 PolarHBondContact OE2-NH1 2.97Å
484	P	76.7	Confident	92.4	Very high	115 Å²	115	22.5 Å²	22.5	75%	0.747	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-39.6	-173.2	-27.3	35.1	0	0	0	114.1	T486	P484-T486 PolarHBondContact O-N 3.43Å
485	D	81.2	Confident	92.5	Very high	137 Å²	137	24.1 Å²	24.1	73%	0.733	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	10.1	-178.2	-42.2	-41.7	0	0	0	113.8	E483	E483-D485 VanDerWaalsContact C-N 3.28Å; E483-D485 PolarHBondContact O-N 3.12Å
486	T	85.1	Confident	92.3	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.037	15%	0.151	C	C	.	.	S	Bend	trans	-129.6	140.3	-174.6	69.1	0	0	0	0	111.6	E483 P484 L488 R524	E483-T486 HydrophobicContact CB-CG2 4Å; E483-T486 PolarHBondContact O-N 3.08Å; E483-T486 PolarHBondContact O-OG1 2.95Å; P484-T486 PolarHBondContact O-N 3.43Å; T486-L488 PolarHBondContact O-N 3.21Å; T486-L488 VanDerWaalsContact O-N 3.08Å; T486-R524 HydrophobicContact CG2-CG 4.12Å
487	D	90.1	Very high	92.1	Very high	46 Å²	46	31.2 Å²	31.2	25%	0.246	17%	0.165	C	C	.	.			trans	-79.5	23	173	-64.1	-38.6	0	0	0	113.5	A422 R423 R456 C489	A422-D487 WeakPolarHBondContact CA-O 3.3Å; R423-D487 WeakPolarHBondContact CD-OD2 3.46Å; R423-D487 HydrophobicContact CG-CB 3.64Å; R423-D487 WeakPolarHBondContact CG-OD2 3.47Å; R423-D487 PolarHBondContact N-O 3.38Å; R423-D487 IonicContact NE-OD2 2.7Å; R456-D487 IonicContact CZ-OD1 3.11Å; R456-D487 IonicContact NH1-OD1 3.87Å; R456-D487 PolarHBondContact NH1-OD1 2.94Å; R456-D487 VanDerWaalsContact NH1-OD1 3.12Å; R456-D487 IonicContact NH2-OD1 2.64Å; R456-D487 PolarHBondContact NH2-OD1 2.99Å; D487-C489 PolarHBondContact O-N 2.99Å
488	L	93.9	Very high	91.9	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	97.6	177.4	-69.1	173.2	0	0	0	110.2	L421 A422 Y481 L482 T486 L523 L527	L421-L488 WeakPolarHBondContact O-CA 3.38Å; A422-L488 HydrophobicContact CB-CD2 4.34Å; Y481-L488 CarbonylContact C-O 3.47Å; Y481-L488 WeakPolarHBondContact CA-O 3.4Å; L482-L488 HydrophobicContact CB-CB 4.26Å; L482-L488 HydrophobicContact CD1-CB 4Å; L482-L488 HydrophobicContact CD1-CD1 4.31Å; L482-L488 HydrophobicContact CG-CB 4.23Å; L482-L488 PolarHBondContact N-O 2.97Å; T486-L488 PolarHBondContact O-N 3.21Å; T486-L488 VanDerWaalsContact O-N 3.08Å; L488-L523 HydrophobicContact CD1-CB 4.11Å; L488-L523 HydrophobicContact CD1-CD1 4.28Å; L488-L527 HydrophobicContact CD1-CD1 3.98Å; L488-L527 HydrophobicContact CD2-CD1 4.02Å; L488-L527 HydrophobicContact CD2-CD2 4.18Å; L488-L527 HydrophobicContact CD2-CG 4.47Å; L488-L527 HydrophobicContact CG-CD1 3.66Å
489	C	95.4	Very high	91.7	Very high	3 Å²	3	40 Å²	40	2%	0.02	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.7	173.8	-170.1	0	0	0	0	110.2	L421 I449 Y481 D487	L421-C489 HydrophobicContact CB-CB 4.43Å; L421-C489 PolarHBondContact N-O 3.29Å; L421-C489 PolarHBondContact O-N 2.68Å; I449-C489 HydrophobicContact CG2-CB 4.22Å; Y481-C489 HydrophobicContact CD1-CB 4.26Å; Y481-C489 HydrophobicContact CD2-CB 4.48Å; Y481-C489 HydrophobicContact CE1-CB 4.01Å; Y481-C489 HydrophobicContact CE2-CB 4.25Å; Y481-C489 HydrophobicContact CG-CB 4.5Å; D487-C489 PolarHBondContact O-N 2.99Å
490	L	96.4	Very high	91.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.2	169.6	-176.8	65.8	0	0	0	108.9	L407 L420 S480 L482 F492 R507 F510	L407-L490 HydrophobicContact CD2-CD1 3.54Å; L420-L490 HydrophobicContact CD1-CB 4.42Å; L420-L490 HydrophobicContact CD1-CD1 4.29Å; S480-L490 PolarHBondContact N-O 3.25Å; S480-L490 PolarHBondContact O-N 3.43Å; L482-L490 HydrophobicContact CD2-CB 3.98Å; L482-L490 HydrophobicContact CD2-CD2 4.15Å; L490-F492 HydrophobicContact CD1-CE1 4.39Å; L490-F492 HydrophobicContact CD1-CE2 4.4Å; L490-F492 HydrophobicContact CD1-CZ 4.14Å; L490-F492 HydrophobicContact CD2-CD2 4.16Å; L490-F492 HydrophobicContact CD2-CE2 3.34Å; L490-F492 HydrophobicContact CD2-CZ 3.62Å; L490-F492 HydrophobicContact CG-CD2 4.24Å; L490-F492 HydrophobicContact CG-CE2 3.84Å; L490-F492 HydrophobicContact CG-CZ 4.07Å; L490-R507 HydrophobicContact CD2-CB 4.17Å; L490-R507 HydrophobicContact CD2-CG 3.93Å; L490-F510 HydrophobicContact CD1-CD1 4.17Å; L490-F510 HydrophobicContact CD1-CE1 4.09Å; L490-F510 HydrophobicContact CD2-CD1 3.66Å; L490-F510 HydrophobicContact CD2-CE1 4.23Å; L490-F510 HydrophobicContact CD2-CG 4.47Å
491	L	97.1	Very high	91.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.5	177.1	166.9	65.7	0	0	0	109	I419 L445 I449 A477 H478 I479 V493	I419-L491 HydrophobicContact CB-CB 4.26Å; I419-L491 HydrophobicContact CB-CD2 4.34Å; I419-L491 HydrophobicContact CB-CG 4.48Å; I419-L491 HydrophobicContact CD1-CD2 3.94Å; I419-L491 HydrophobicContact CG1-CD2 4.25Å; I419-L491 HydrophobicContact CG1-CG 4.43Å; I419-L491 PolarHBondContact N-O 3.44Å; I419-L491 PolarHBondContact O-N 3.22Å; L445-L491 HydrophobicContact CB-CD2 4.1Å; L445-L491 HydrophobicContact CD1-CD2 3.93Å; L445-L491 HydrophobicContact CD2-CD2 3.94Å; L445-L491 HydrophobicContact CG-CD2 4.21Å; I449-L491 HydrophobicContact CD1-CB 4.44Å; I449-L491 HydrophobicContact CD1-CD2 4.25Å; A477-L491 HydrophobicContact CB-CD1 3.65Å; H478-L491 VanDerWaalsContact O-CA 3.32Å; H478-L491 WeakPolarHBondContact O-CA 3.47Å; I479-L491 HydrophobicContact CG1-CD1 3.97Å; L491-V493 HydrophobicContact CD1-CG2 4.27Å; L491-V493 HydrophobicContact CG-CG2 4.29Å
492	F	97.4	Very high	91.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.3	167.9	-64.9	-67.4	0	0	0	110	L407 L415 F417 S418 A477 H478 L490 V503 C506 R507	L407-F492 HydrophobicContact CD2-CE1 4.47Å; L415-F492 HydrophobicContact CD1-CD1 3.89Å; L415-F492 HydrophobicContact CD1-CE1 4.28Å; L415-F492 HydrophobicContact CD1-CG 4.38Å; L415-F492 HydrophobicContact CD2-CB 3.77Å; L415-F492 HydrophobicContact CD2-CG 4.4Å; F417-F492 WeakPolarHBondContact O-CA 3.4Å; S418-F492 WeakPolarHBondContact OG-CD1 3.39Å; S418-F492 WeakPolarHBondContact OG-CE1 3.32Å; A477-F492 CarbonylContact C-O 3.58Å; A477-F492 WeakPolarHBondContact CA-O 3.31Å; H478-F492 HydrophobicContact CB-CB 4.18Å; H478-F492 PolarHBondContact N-O 3.02Å; H478-F492 AromaticContact ND1-CD2 3.96Å; H478-F492 PolarHBondContact O-N 3.25Å; L490-F492 HydrophobicContact CD1-CE1 4.39Å; L490-F492 HydrophobicContact CD1-CE2 4.4Å; L490-F492 HydrophobicContact CD1-CZ 4.14Å; L490-F492 HydrophobicContact CD2-CD2 4.16Å; L490-F492 HydrophobicContact CD2-CE2 3.34Å; L490-F492 HydrophobicContact CD2-CZ 3.62Å; L490-F492 HydrophobicContact CG-CD2 4.24Å; L490-F492 HydrophobicContact CG-CE2 3.84Å; L490-F492 HydrophobicContact CG-CZ 4.07Å; F492-V503 HydrophobicContact CB-CG1 3.53Å; F492-V503 HydrophobicContact CD2-CG1 3.55Å; F492-V503 HydrophobicContact CE2-CG1 4.47Å; F492-V503 HydrophobicContact CG-CG1 3.82Å; F492-C506 HydrophobicContact CE2-CB 4.04Å; F492-C506 HydrophobicContact CZ-CB 3.93Å; F492-R507 HydrophobicContact CE2-CB 4.09Å
493	V	96.8	Very high	91.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.4	178	-176.7	0	0	0	0	109.3	L415 V416 F417 L466 F475 L491	L415-V493 WeakPolarHBondContact CA-O 3.49Å; V416-V493 PolarHBondContact N-O 3.4Å; F417-V493 HydrophobicContact CB-CB 4.12Å; F417-V493 HydrophobicContact CB-CG2 4.18Å; F417-V493 HydrophobicContact CD2-CB 4.11Å; F417-V493 HydrophobicContact CD2-CG1 4.28Å; F417-V493 HydrophobicContact CD2-CG2 4.32Å; F417-V493 PolarHBondContact N-O 3.12Å; F417-V493 PolarHBondContact O-N 3.45Å; L466-V493 HydrophobicContact CD1-CG1 4.19Å; F475-V493 HydrophobicContact CB-CG1 3.51Å; F475-V493 HydrophobicContact CD1-CG1 4.16Å; F475-V493 HydrophobicContact CG-CG1 3.88Å; L491-V493 HydrophobicContact CD1-CG2 4.27Å; L491-V493 HydrophobicContact CG-CG2 4.29Å
494	S	95.7	Very high	92.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	144.3	-177.4	176.5	0	0	0	0	111.7	S414 F475 H476 D496	S414-S494 VanDerWaalsContact CB-OG 3.28Å; S414-S494 WeakPolarHBondContact CB-OG 3.4Å; S414-S494 PolarHBondContact OG-OG 2.81Å; F475-S494 WeakPolarHBondContact CA-O 3.25Å; F475-S494 WeakPolarHBondContact CB-O 3.35Å; H476-S494 PolarHBondContact N-O 3.42Å; H476-S494 WeakPolarHBondContact O-CB 3.47Å; H476-S494 PolarHBondContact O-N 3.12Å; S494-D496 VanDerWaalsContact C-N 3.3Å; S494-D496 PolarHBondContact OG-N 3.36Å; S494-D496 PolarHBondContact OG-O 2.8Å
495	T	94.4	Very high	93.4	Very high	83 Å²	83	47.9 Å²	47.9	51%	0.509	24%	0.242	S	C	.	.	S	Bend	trans	-78.8	-13.7	165.4	59.5	0	0	0	0	113.8	S414 V416 F475	S414-T495 PolarHBondContact O-N 3.01Å; S414-T495 VanDerWaalsContact O-N 3.1Å; S414-T495 PolarHBondContact O-OG1 3.45Å; V416-T495 HydrophobicContact CG2-CG2 3.37Å; F475-T495 HydrophobicContact CD1-CG2 4.38Å; F475-T495 HydrophobicContact CE1-CG2 4.28Å
496	D	92.9	Very high	94.1	Very high	75 Å²	75	41.3 Å²	41.3	40%	0.401	21%	0.207	S	C	.	.			trans	-112.2	135.1	-173.5	-162.6	-24.5	0	0	0	110.2	W461 S494 E498 D499	W461-D496 WeakPolarHBondContact CZ2-O 3.47Å; S494-D496 VanDerWaalsContact C-N 3.3Å; S494-D496 PolarHBondContact OG-N 3.36Å; S494-D496 PolarHBondContact OG-O 2.8Å; D496-E498 PolarHBondContact OD1-N 3.34Å; D496-E498 VanDerWaalsContact OD1-N 3.16Å; D496-D499 HydrophobicContact CB-CB 4.1Å
497	R	90.9	Very high	94.6	Very high	121 Å²	121	43 Å²	43	46%	0.457	21%	0.213	S	C	.	.	S	Bend	trans	-80.6	-27.2	-176.2	65.4	167.8	79.5	-166	1.5	113	W461 H476	W461-R497 WeakPolarHBondContact CZ2-O 3.48Å; W461-R497 PolarHBondContact NE1-O 2.9Å; H476-R497 WeakPolarHBondContact CE1-CB 3.46Å
498	E	91.9	Very high	94.9	Very high	144 Å²	144	46.6 Å²	46.6	67%	0.673	22%	0.223	S	C	*	.	S	Bend	trans	-93.5	-5.7	-174.8	-55	-52.7	145.7	0	0	112.8	D496 F500	D496-E498 PolarHBondContact OD1-N 3.34Å; D496-E498 VanDerWaalsContact OD1-N 3.16Å; E498-F500 PolarHBondContact O-N 3.18Å; E498-F500 VanDerWaalsContact O-N 3.09Å
499	D	92.4	Very high	95	Very high	39 Å²	39	50.4 Å²	50.4	21%	0.209	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	13.7	-169.5	-154.1	44.9	0	0	0	114.2	S414 D496 F501 A502 V503	S414-D499 VanDerWaalsContact CB-OD2 3.24Å; S414-D499 WeakPolarHBondContact CB-OD2 3.38Å; S414-D499 PolarHBondContact OG-OD2 3.45Å; D496-D499 HydrophobicContact CB-CB 4.1Å; D499-F501 VanDerWaalsContact C-N 3.3Å; D499-F501 PolarHBondContact O-N 2.96Å; D499-A502 PolarHBondContact O-N 3.04Å; D499-A502 VanDerWaalsContact O-N 3.07Å; D499-A502 WeakPolarHBondContact OD1-CB 3.42Å; D499-V503 WeakPolarHBondContact O-CG2 3.38Å; D499-V503 PolarHBondContact O-N 3.2Å
500	F	94.1	Very high	95.1	Very high	56 Å²	56	50.2 Å²	50.2	25%	0.246	24%	0.236	C	C	.	.	H	α-helix	trans	-45.7	-51	-178.8	171.1	-103.9	0	0	0	112.5	E459 W461 H478 E498 A502 V503 S504	E459-F500 HydrophobicContact CB-CE2 4.42Å; W461-F500 HydrophobicContact CB-CD2 3.7Å; W461-F500 HydrophobicContact CB-CE2 4.12Å; W461-F500 HydrophobicContact CD2-CB 4.16Å; W461-F500 HydrophobicContact CD2-CD2 4Å; W461-F500 HydrophobicContact CE3-CD2 4.27Å; W461-F500 HydrophobicContact CG-CB 4.29Å; W461-F500 AromaticContact CG-CD2 3.81Å; W461-F500 HydrophobicContact CG-CD2 3.81Å; W461-F500 HydrophobicContact CG-CG 4.43Å; W461-F500 HydrophobicContact CZ2-CB 4.42Å; H478-F500 AromaticContact CD2-CE2 3.96Å; E498-F500 PolarHBondContact O-N 3.18Å; E498-F500 VanDerWaalsContact O-N 3.09Å; F500-A502 PolarHBondContact O-N 3.42Å; F500-V503 PolarHBondContact O-N 2.82Å; F500-S504 WeakPolarHBondContact O-CB 3.31Å; F500-S504 PolarHBondContact O-N 3.3Å
501	F	94.8	Very high	95	Very high	163 Å²	163	51.8 Å²	51.8	72%	0.715	24%	0.243	S	C	*	.	H	α-helix	trans	-64.6	-39.5	-177.5	-63.8	-73.5	0	0	0	112.9	D499 V503 S504 D505	D499-F501 VanDerWaalsContact C-N 3.3Å; D499-F501 PolarHBondContact O-N 2.96Å; F501-V503 VanDerWaalsContact C-N 3.33Å; F501-S504 PolarHBondContact O-N 3.24Å; F501-D505 WeakPolarHBondContact O-CB 3.35Å; F501-D505 PolarHBondContact O-N 3.46Å
502	A	94.9	Very high	94.9	Very high	31 Å²	31	55.2 Å²	55.2	26%	0.256	26%	0.259	S	S	.	.	H	α-helix	trans	-70.8	-32.3	178.7	0	0	0	0	0	112	A412 D499 F500 C506	A412-A502 HydrophobicContact CB-CB 4.29Å; D499-A502 PolarHBondContact O-N 3.04Å; D499-A502 VanDerWaalsContact O-N 3.07Å; D499-A502 WeakPolarHBondContact OD1-CB 3.42Å; F500-A502 PolarHBondContact O-N 3.42Å; A502-C506 PolarHBondContact O-N 2.82Å; A502-C506 PolarHBondContact O-SG 2.99Å
503	V	95.3	Very high	94.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-74.7	-39.1	175.1	-179.3	0	0	0	0	111.5	L415 W461 H478 F492 D499 F500 F501 D505 C506 R507	L415-V503 HydrophobicContact CD2-CG1 4.16Å; L415-V503 HydrophobicContact CD2-CG2 3.66Å; L415-V503 HydrophobicContact CG-CG2 4.37Å; W461-V503 HydrophobicContact CH2-CG2 4.33Å; W461-V503 HydrophobicContact CZ3-CB 4.48Å; W461-V503 HydrophobicContact CZ3-CG1 4.49Å; W461-V503 HydrophobicContact CZ3-CG2 4.44Å; H478-V503 HydrophobicContact CB-CB 4.5Å; H478-V503 HydrophobicContact CB-CG1 3.47Å; H478-V503 VanDerWaalsContact CB-CG1 3.47Å; F492-V503 HydrophobicContact CB-CG1 3.53Å; F492-V503 HydrophobicContact CD2-CG1 3.55Å; F492-V503 HydrophobicContact CE2-CG1 4.47Å; F492-V503 HydrophobicContact CG-CG1 3.82Å; D499-V503 WeakPolarHBondContact O-CG2 3.38Å; D499-V503 PolarHBondContact O-N 3.2Å; F500-V503 PolarHBondContact O-N 2.82Å; F501-V503 VanDerWaalsContact C-N 3.33Å; V503-D505 VanDerWaalsContact C-N 3.31Å; V503-D505 PolarHBondContact O-N 3.47Å; V503-C506 CarbonylContact O-C 3.6Å; V503-C506 WeakPolarHBondContact O-CA 3.38Å; V503-C506 WeakPolarHBondContact O-CB 3.39Å; V503-C506 PolarHBondContact O-N 3.3Å; V503-R507 PolarHBondContact O-N 3.18Å
504	S	95.5	Very high	94.6	Very high	28 Å²	28	58.4 Å²	58.4	20%	0.196	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-42.1	168.8	-172.7	0	0	0	0	111.5	E459 F500 F501 C506 R507 R508	E459-S504 PolarHBondContact OE1-OG 3.17Å; E459-S504 WeakPolarHBondContact OE2-CB 3.21Å; E459-S504 PolarHBondContact OE2-OG 2.71Å; F500-S504 WeakPolarHBondContact O-CB 3.31Å; F500-S504 PolarHBondContact O-N 3.3Å; F501-S504 PolarHBondContact O-N 3.24Å; S504-C506 VanDerWaalsContact C-N 3.26Å; S504-C506 PolarHBondContact O-N 2.94Å; S504-R507 VanDerWaalsContact O-CB 3.3Å; S504-R507 WeakPolarHBondContact O-CB 3.31Å; S504-R507 PolarHBondContact O-N 2.79Å; S504-R507 VanDerWaalsContact O-N 3.1Å; S504-R508 PolarHBondContact O-N 2.88Å
505	D	96	Very high	94.5	Very high	67 Å²	67	63.6 Å²	63.6	36%	0.358	29%	0.291	S	S	.	.	H	α-helix	trans	-65.5	-25.9	171	-100.2	-11.1	0	0	0	113.5	F501 V503 R508 R509	F501-D505 WeakPolarHBondContact O-CB 3.35Å; F501-D505 PolarHBondContact O-N 3.46Å; V503-D505 VanDerWaalsContact C-N 3.31Å; V503-D505 PolarHBondContact O-N 3.47Å; D505-R508 IonicContact OD1-CZ 2.66Å; D505-R508 VanDerWaalsContact OD1-CZ 3.27Å; D505-R508 IonicContact OD1-NE 3.61Å; D505-R508 PolarHBondContact OD1-NE 3.48Å; D505-R508 IonicContact OD1-NH2 3.61Å; D505-R508 PolarHBondContact OD1-NH2 3.3Å; D505-R508 IonicContact OD2-NH2 3.92Å; D505-R509 WeakPolarHBondContact O-CB 3.44Å; D505-R509 VanDerWaalsContact O-CG 3.23Å; D505-R509 WeakPolarHBondContact O-CG 3.42Å; D505-R509 PolarHBondContact O-N 3.04Å; D505-R509 PolarHBondContact O-NE 2.92Å
506	C	96.3	Very high	94.4	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-68.7	-45.9	167.9	-63.4	0	0	0	0	111.3	A410 R411 L415 F492 A502 V503 S504 R508 R509 F510	A410-C506 HydrophobicContact CB-CB 4.4Å; A410-C506 WeakPolarHBondContact O-CB 3.37Å; A410-C506 PolarHBondContact O-SG 3.35Å; R411-C506 VanDerWaalsContact C-SG 3.51Å; L415-C506 HydrophobicContact CD1-CB 4.47Å; F492-C506 HydrophobicContact CE2-CB 4.04Å; F492-C506 HydrophobicContact CZ-CB 3.93Å; A502-C506 PolarHBondContact O-N 2.82Å; A502-C506 PolarHBondContact O-SG 2.99Å; V503-C506 CarbonylContact O-C 3.6Å; V503-C506 WeakPolarHBondContact O-CA 3.38Å; V503-C506 WeakPolarHBondContact O-CB 3.39Å; V503-C506 PolarHBondContact O-N 3.3Å; S504-C506 VanDerWaalsContact C-N 3.26Å; S504-C506 PolarHBondContact O-N 2.94Å; C506-R508 PolarHBondContact O-N 2.94Å; C506-R509 PolarHBondContact O-N 2.9Å; C506-R509 PolarHBondContact SG-NH2 3.13Å; C506-F510 WeakPolarHBondContact O-CB 3.49Å; C506-F510 PolarHBondContact O-N 2.86Å
507	R	95.6	Very high	94.4	Very high	42 Å²	42	69.4 Å²	69.4	16%	0.158	30%	0.303	C	S	.	.	H	α-helix	trans	-52.9	-53.1	174.9	-177.3	-147.8	-170.5	-161.4	1.3	110.9	E459 S480 Y481 L490 F492 V503 S504 F510 Q511	E459-R507 VanDerWaalsContact CG-NH1 3.29Å; E459-R507 WeakPolarHBondContact OE1-CD 3.49Å; E459-R507 IonicContact OE1-CZ 3.63Å; E459-R507 IonicContact OE1-NE 2.91Å; E459-R507 IonicContact OE1-NH1 3.04Å; E459-R507 PolarHBondContact OE1-NH1 3.29Å; S480-R507 VanDerWaalsContact CB-NE 3.34Å; S480-R507 WeakPolarHBondContact OG-CD 3.3Å; S480-R507 PolarHBondContact OG-NE 3.49Å; Y481-R507 PolarHBondContact O-NH2 3.4Å; L490-R507 HydrophobicContact CD2-CB 4.17Å; L490-R507 HydrophobicContact CD2-CG 3.93Å; F492-R507 HydrophobicContact CE2-CB 4.09Å; V503-R507 PolarHBondContact O-N 3.18Å; S504-R507 VanDerWaalsContact O-CB 3.3Å; S504-R507 WeakPolarHBondContact O-CB 3.31Å; S504-R507 PolarHBondContact O-N 2.79Å; S504-R507 VanDerWaalsContact O-N 3.1Å; R507-F510 WeakPolarHBondContact O-CB 3.29Å; R507-F510 PolarHBondContact O-N 2.79Å; R507-Q511 WeakPolarHBondContact O-CB 3.3Å; R507-Q511 PolarHBondContact O-N 2.99Å
508	R	95.4	Very high	94.4	Very high	121 Å²	121	65.3 Å²	65.3	46%	0.457	30%	0.298	S	S	.	.	H	α-helix	trans	-58	-51.1	179.6	-176	172.3	63.2	92.2	-12.1	112.2	S504 D505 C506 F510 Q511 E512	S504-R508 PolarHBondContact O-N 2.88Å; D505-R508 IonicContact OD1-CZ 2.66Å; D505-R508 VanDerWaalsContact OD1-CZ 3.27Å; D505-R508 IonicContact OD1-NE 3.61Å; D505-R508 PolarHBondContact OD1-NE 3.48Å; D505-R508 IonicContact OD1-NH2 3.61Å; D505-R508 PolarHBondContact OD1-NH2 3.3Å; D505-R508 IonicContact OD2-NH2 3.92Å; C506-R508 PolarHBondContact O-N 2.94Å; R508-F510 VanDerWaalsContact C-N 3.31Å; R508-F510 PolarHBondContact O-N 2.87Å; R508-Q511 PolarHBondContact O-N 3.18Å; R508-E512 IonicContact NH1-OE1 3.27Å; R508-E512 PolarHBondContact NH1-OE1 3.49Å; R508-E512 WeakPolarHBondContact O-CG 3.38Å; R508-E512 PolarHBondContact O-N 3.41Å
509	R	96.2	Very high	94.4	Very high	85 Å²	85	58.8 Å²	58.8	32%	0.321	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-35	178.1	-73.3	178.2	-67.4	163.4	0.9	112.8	D505 C506 R513	D505-R509 WeakPolarHBondContact O-CB 3.44Å; D505-R509 VanDerWaalsContact O-CG 3.23Å; D505-R509 WeakPolarHBondContact O-CG 3.42Å; D505-R509 PolarHBondContact O-N 3.04Å; D505-R509 PolarHBondContact O-NE 2.92Å; C506-R509 PolarHBondContact O-N 2.9Å; C506-R509 PolarHBondContact SG-NH2 3.13Å; R509-R513 WeakPolarHBondContact O-CD 3.47Å; R509-R513 VanDerWaalsContact O-CG 3.26Å; R509-R513 WeakPolarHBondContact O-CG 3.39Å; R509-R513 PolarHBondContact O-N 2.92Å
510	F	96.4	Very high	94.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-51.3	173.8	169.1	-109.8	0	0	0	111.5	V403 L407 A410 L420 L482 L490 C506 R507 R508 E512 R513 L514	V403-F510 HydrophobicContact CG1-CZ 4.43Å; L407-F510 HydrophobicContact CD2-CD1 4.18Å; L407-F510 HydrophobicContact CD2-CD2 3.56Å; L407-F510 HydrophobicContact CD2-CE1 4.08Å; L407-F510 HydrophobicContact CD2-CE2 3.48Å; L407-F510 VanDerWaalsContact CD2-CE2 3.48Å; L407-F510 HydrophobicContact CD2-CG 3.92Å; L407-F510 HydrophobicContact CD2-CZ 3.76Å; L407-F510 HydrophobicContact CG-CD2 3.92Å; L407-F510 HydrophobicContact CG-CE2 3.56Å; L407-F510 HydrophobicContact CG-CZ 4.11Å; A410-F510 HydrophobicContact CB-CB 3.83Å; L420-F510 HydrophobicContact CD1-CE1 4.36Å; L420-F510 HydrophobicContact CD2-CZ 4.19Å; L482-F510 HydrophobicContact CD1-CE1 3.9Å; L482-F510 HydrophobicContact CD2-CD1 4.21Å; L482-F510 HydrophobicContact CD2-CE1 4.08Å; L490-F510 HydrophobicContact CD1-CD1 4.17Å; L490-F510 HydrophobicContact CD1-CE1 4.09Å; L490-F510 HydrophobicContact CD2-CD1 3.66Å; L490-F510 HydrophobicContact CD2-CE1 4.23Å; L490-F510 HydrophobicContact CD2-CG 4.47Å; C506-F510 WeakPolarHBondContact O-CB 3.49Å; C506-F510 PolarHBondContact O-N 2.86Å; R507-F510 WeakPolarHBondContact O-CB 3.29Å; R507-F510 PolarHBondContact O-N 2.79Å; R508-F510 VanDerWaalsContact C-N 3.31Å; R508-F510 PolarHBondContact O-N 2.87Å; F510-E512 PolarHBondContact O-N 3.07Å; F510-R513 PolarHBondContact O-N 3.35Å; F510-R513 VanDerWaalsContact O-N 3.14Å; F510-L514 HydrophobicContact CE1-CD2 4.23Å; F510-L514 HydrophobicContact CE2-CD1 4.35Å; F510-L514 HydrophobicContact CZ-CD1 4.14Å; F510-L514 HydrophobicContact CZ-CD2 4.1Å; F510-L514 WeakPolarHBondContact O-CB 3.47Å; F510-L514 PolarHBondContact O-N 3.18Å
511	Q	94.8	Very high	94.2	Very high	33 Å²	33	61.6 Å²	61.6	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-61.1	-42.2	-178.9	-167.4	-176.8	22.2	0	0	112.1	L482 R507 R508 R513 L514 R515	L482-Q511 PolarHBondContact O-NE2 3.44Å; R507-Q511 WeakPolarHBondContact O-CB 3.3Å; R507-Q511 PolarHBondContact O-N 2.99Å; R508-Q511 PolarHBondContact O-N 3.18Å; Q511-R513 PolarHBondContact O-N 3.41Å; Q511-L514 PolarHBondContact O-N 3.35Å; Q511-R515 VanDerWaalsContact NE2-NH2 3.13Å; Q511-R515 WeakPolarHBondContact O-CG 3.21Å; Q511-R515 PolarHBondContact O-N 3.03Å
512	E	94.6	Very high	94.1	Very high	71 Å²	71	55.6 Å²	55.6	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-58.5	-44.3	173.3	-78.3	-174.7	-139.5	0	0	112.6	R508 F510 R515 K516	R508-E512 IonicContact NH1-OE1 3.27Å; R508-E512 PolarHBondContact NH1-OE1 3.49Å; R508-E512 WeakPolarHBondContact O-CG 3.38Å; R508-E512 PolarHBondContact O-N 3.41Å; F510-E512 PolarHBondContact O-N 3.07Å; E512-R515 PolarHBondContact O-N 3.09Å; E512-K516 WeakPolarHBondContact O-CB 3.44Å; E512-K516 WeakPolarHBondContact O-CD 3.46Å; E512-K516 VanDerWaalsContact O-CG 3.24Å; E512-K516 WeakPolarHBondContact O-CG 3.42Å; E512-K516 PolarHBondContact O-N 2.86Å; E512-K516 IonicContact OE2-NZ 3.72Å; E512-K516 PolarHBondContact OE2-NZ 3.26Å
513	R	94.8	Very high	94.1	Very high	62 Å²	62	54.1 Å²	54.1	23%	0.234	25%	0.252	C	S	.	.	H	α-helix	trans	-67.5	-41.7	178.5	-73.8	171.5	-178.2	143.6	-6.7	111.8	Q409 R509 F510 Q511 R515 K516 R517	Q409-R513 PolarHBondContact O-NH1 2.84Å; Q409-R513 PolarHBondContact O-NH2 3.1Å; R509-R513 WeakPolarHBondContact O-CD 3.47Å; R509-R513 VanDerWaalsContact O-CG 3.26Å; R509-R513 WeakPolarHBondContact O-CG 3.39Å; R509-R513 PolarHBondContact O-N 2.92Å; F510-R513 PolarHBondContact O-N 3.35Å; F510-R513 VanDerWaalsContact O-N 3.14Å; Q511-R513 PolarHBondContact O-N 3.41Å; R513-R515 VanDerWaalsContact C-N 3.26Å; R513-R515 PolarHBondContact O-N 3Å; R513-K516 PolarHBondContact O-N 2.97Å; R513-R517 WeakPolarHBondContact O-CB 3.33Å; R513-R517 WeakPolarHBondContact O-CG 2.93Å; R513-R517 PolarHBondContact O-N 2.93Å
514	L	93.8	Very high	93.9	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-35.7	177.6	-167.2	75	0	0	0	111.9	V403 L482 F510 Q511 A519 H520 L523	V403-L514 HydrophobicContact CG2-CD1 3.81Å; L482-L514 HydrophobicContact CD1-CD2 3.9Å; F510-L514 HydrophobicContact CE1-CD2 4.23Å; F510-L514 HydrophobicContact CE2-CD1 4.35Å; F510-L514 HydrophobicContact CZ-CD1 4.14Å; F510-L514 HydrophobicContact CZ-CD2 4.1Å; F510-L514 WeakPolarHBondContact O-CB 3.47Å; F510-L514 PolarHBondContact O-N 3.18Å; Q511-L514 PolarHBondContact O-N 3.35Å; L514-A519 HydrophobicContact CD1-CB 3.78Å; L514-A519 PolarHBondContact O-N 3.36Å; L514-H520 HydrophobicContact CD2-CB 4.22Å; L514-H520 HydrophobicContact CG-CB 4.06Å; L514-H520 PolarHBondContact O-N 2.91Å; L514-H520 PolarHBondContact O-ND1 2.78Å; L514-L523 HydrophobicContact CD1-CD1 3.96Å; L514-L523 HydrophobicContact CD2-CD1 4.07Å; L514-L523 HydrophobicContact CG-CD1 4.49Å
515	R	93.1	Very high	93.8	Very high	110 Å²	110	61.7 Å²	61.7	42%	0.415	28%	0.281	S	S	.	.	H	α-helix	trans	-69.8	-56	170.5	-73.9	179.5	176.4	141	3.7	112	E483 Q511 E512 R513 R517 G518 H520	E483-R515 IonicContact OE1-CZ 2.71Å; E483-R515 IonicContact OE1-NE 3.85Å; E483-R515 IonicContact OE1-NH2 3.79Å; E483-R515 PolarHBondContact OE1-NH2 2.94Å; Q511-R515 VanDerWaalsContact NE2-NH2 3.13Å; Q511-R515 WeakPolarHBondContact O-CG 3.21Å; Q511-R515 PolarHBondContact O-N 3.03Å; E512-R515 PolarHBondContact O-N 3.09Å; R513-R515 VanDerWaalsContact C-N 3.26Å; R513-R515 PolarHBondContact O-N 3Å; R515-R517 PolarHBondContact O-N 2.84Å; R515-G518 PolarHBondContact O-N 3.13Å; R515-H520 WeakPolarHBondContact CA-ND1 3.49Å
516	K	93.9	Very high	93.6	Very high	163 Å²	163	59 Å²	59	71%	0.709	27%	0.268	S	S	*	.	H	α-helix	trans	-56.1	-32.5	-179.1	-74.5	164.3	-180	164.1	0	113.6	E512 R513	E512-K516 WeakPolarHBondContact O-CB 3.44Å; E512-K516 WeakPolarHBondContact O-CD 3.46Å; E512-K516 VanDerWaalsContact O-CG 3.24Å; E512-K516 WeakPolarHBondContact O-CG 3.42Å; E512-K516 PolarHBondContact O-N 2.86Å; E512-K516 IonicContact OE2-NZ 3.72Å; E512-K516 PolarHBondContact OE2-NZ 3.26Å; R513-K516 PolarHBondContact O-N 2.97Å
517	R	92.5	Very high	93.4	Very high	117 Å²	117	60.2 Å²	60.2	44%	0.442	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	6.3	178.4	-60.9	-173.4	-174.6	-162.4	9.3	114.4	T402 R513 R515 A519	T402-R517 HydrophobicContact CG2-CB 3.78Å; T402-R517 HydrophobicContact CG2-CG 4.4Å; R513-R517 WeakPolarHBondContact O-CB 3.33Å; R513-R517 WeakPolarHBondContact O-CG 2.93Å; R513-R517 PolarHBondContact O-N 2.93Å; R515-R517 PolarHBondContact O-N 2.84Å; R517-A519 PolarHBondContact O-N 3.02Å
518	G	90.3	Very high	93.3	Very high	34 Å²	34	66.8 Å²	66.8	35%	0.351	30%	0.299	S	S	.	.	S	Bend	trans	70.7	-11.1	178.7	0	0	0	0	0	116.4	R515 H520 L521	R515-G518 PolarHBondContact O-N 3.13Å; G518-H520 PolarHBondContact O-N 3.27Å; G518-H520 VanDerWaalsContact O-N 3.11Å; G518-L521 PolarHBondContact O-N 3.08Å; G518-L521 VanDerWaalsContact O-N 3.07Å
519	A	92.1	Very high	93	Very high	7 Å²	7	65.4 Å²	65.4	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-26	-175.9	0	0	0	0	0	114.3	V399 T402 V403 L514 R517 L521 A522 L523	V399-A519 HydrophobicContact CG1-CB 4.36Å; T402-A519 HydrophobicContact CG2-CB 3.8Å; V403-A519 HydrophobicContact CG2-CB 4.41Å; L514-A519 HydrophobicContact CD1-CB 3.78Å; L514-A519 PolarHBondContact O-N 3.36Å; R517-A519 PolarHBondContact O-N 3.02Å; A519-L521 VanDerWaalsContact C-N 3.3Å; A519-L521 PolarHBondContact O-N 3.38Å; A519-A522 PolarHBondContact O-N 3.47Å; A519-L523 WeakPolarHBondContact O-CG 3.33Å; A519-L523 PolarHBondContact O-N 2.83Å
520	H	90.7	Very high	92.8	Very high	42 Å²	42	62 Å²	62	19%	0.194	29%	0.293	C	S	.	.	H	α-helix	trans	-56.6	-39	173.2	70.4	-66.8	0	0	0	113.5	L514 R515 G518 L523 R524	L514-H520 HydrophobicContact CD2-CB 4.22Å; L514-H520 HydrophobicContact CG-CB 4.06Å; L514-H520 PolarHBondContact O-N 2.91Å; L514-H520 PolarHBondContact O-ND1 2.78Å; R515-H520 WeakPolarHBondContact CA-ND1 3.49Å; G518-H520 PolarHBondContact O-N 3.27Å; G518-H520 VanDerWaalsContact O-N 3.11Å; H520-L523 PolarHBondContact O-N 3.37Å; H520-R524 WeakPolarHBondContact O-CG 3.41Å; H520-R524 PolarHBondContact O-N 2.72Å
521	L	91.9	Very high	92.6	Very high	112 Å²	112	65.3 Å²	65.3	59%	0.586	31%	0.306	S	S	*	.	H	α-helix	trans	-68.7	-43.7	178.1	-65.2	173.3	0	0	0	111.3	G518 A519 L523 R524 E525	G518-L521 PolarHBondContact O-N 3.08Å; G518-L521 VanDerWaalsContact O-N 3.07Å; A519-L521 VanDerWaalsContact C-N 3.3Å; A519-L521 PolarHBondContact O-N 3.38Å; L521-L523 VanDerWaalsContact C-N 3.3Å; L521-L523 PolarHBondContact O-N 2.74Å; L521-R524 PolarHBondContact O-N 3.16Å; L521-E525 PolarHBondContact O-N 3.36Å
522	A	92.9	Very high	92.6	Very high	37 Å²	37	63.9 Å²	63.9	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-63.9	-35.5	177.2	0	0	0	0	0	112.2	V399 A519 A526	V399-A522 HydrophobicContact CG1-CB 3.75Å; V399-A522 HydrophobicContact CG2-CB 3.92Å; A519-A522 PolarHBondContact O-N 3.47Å; A522-A526 WeakPolarHBondContact O-CB 3.24Å; A522-A526 PolarHBondContact O-N 2.94Å
523	L	93.9	Very high	92.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-46.8	170.7	-72.5	175.4	0	0	0	111.8	L395 V403 L420 V427 L488 L514 A519 H520 L521 E525 A526 L527	L395-L523 HydrophobicContact CD1-CD2 4.3Å; L395-L523 HydrophobicContact CD2-CD2 3.74Å; V403-L523 HydrophobicContact CG2-CD1 3.88Å; V403-L523 HydrophobicContact CG2-CD2 4.32Å; V403-L523 HydrophobicContact CG2-CG 4.28Å; L420-L523 HydrophobicContact CD2-CD1 4.08Å; V427-L523 HydrophobicContact CG1-CD2 3.65Å; L488-L523 HydrophobicContact CD1-CB 4.11Å; L488-L523 HydrophobicContact CD1-CD1 4.28Å; L514-L523 HydrophobicContact CD1-CD1 3.96Å; L514-L523 HydrophobicContact CD2-CD1 4.07Å; L514-L523 HydrophobicContact CG-CD1 4.49Å; A519-L523 WeakPolarHBondContact O-CG 3.33Å; A519-L523 PolarHBondContact O-N 2.83Å; H520-L523 PolarHBondContact O-N 3.37Å; L521-L523 VanDerWaalsContact C-N 3.3Å; L521-L523 PolarHBondContact O-N 2.74Å; L523-E525 PolarHBondContact O-N 3.22Å; L523-A526 PolarHBondContact O-N 3.07Å; L523-A526 VanDerWaalsContact O-N 3.14Å; L523-L527 VanDerWaalsContact O-CG 3.3Å; L523-L527 WeakPolarHBondContact O-CG 3.32Å; L523-L527 PolarHBondContact O-N 3.01Å
524	R	92.4	Very high	92.5	Very high	89 Å²	89	59 Å²	59	34%	0.336	28%	0.283	S	S	.	.	H	α-helix	trans	-59	-34.8	176.8	-74.6	-174.4	72.2	126.5	1.1	112.4	E483 T486 H520 L521	E483-R524 IonicContact OE2-CZ 3.59Å; E483-R524 IonicContact OE2-NH1 3.91Å; E483-R524 PolarHBondContact OE2-NH1 2.97Å; T486-R524 HydrophobicContact CG2-CG 4.12Å; H520-R524 WeakPolarHBondContact O-CG 3.41Å; H520-R524 PolarHBondContact O-N 2.72Å; L521-R524 PolarHBondContact O-N 3.16Å
525	E	92.3	Very high	92.5	Very high	98 Å²	98	62.6 Å²	62.6	46%	0.458	31%	0.313	S	S	.	.	H	α-helix	trans	-69.1	-46.7	172.9	-166.2	58.6	-154.9	0	0	112.1	L521 L523 L527 R528	L521-E525 PolarHBondContact O-N 3.36Å; L523-E525 PolarHBondContact O-N 3.22Å; E525-L527 PolarHBondContact O-N 3.03Å; E525-R528 WeakPolarHBondContact O-CB 3.47Å; E525-R528 PolarHBondContact O-N 3.35Å; E525-R528 IonicContact OE2-CZ 2.75Å; E525-R528 IonicContact OE2-NE 3.98Å; E525-R528 IonicContact OE2-NH1 2.91Å; E525-R528 PolarHBondContact OE2-NH1 3.05Å
526	A	92.7	Very high	92.4	Very high	12 Å²	12	62.2 Å²	62.2	10%	0.099	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-26.5	177.4	0	0	0	0	0	113.5	L393 L395 A522 L523 R528 T529 P530	L393-A526 HydrophobicContact CD2-CB 4.23Å; L395-A526 HydrophobicContact CD1-CB 3.82Å; A522-A526 WeakPolarHBondContact O-CB 3.24Å; A522-A526 PolarHBondContact O-N 2.94Å; L523-A526 PolarHBondContact O-N 3.07Å; L523-A526 VanDerWaalsContact O-N 3.14Å; A526-R528 VanDerWaalsContact C-N 3.33Å; A526-T529 CarbonylContact O-C 3.3Å; A526-T529 PolarHBondContact O-N 3.3Å; A526-P530 WeakPolarHBondContact O-CA 3.43Å
527	L	92.4	Very high	92.4	Very high	25 Å²	25	55.1 Å²	55.1	13%	0.131	29%	0.286	C	S	.	.	H	α-helix	trans	-71.2	-25.2	174	-67.2	167.6	0	0	0	113.5	L393 A422 R423 L488 L523 E525	L393-L527 HydrophobicContact CD2-CD2 4.47Å; A422-L527 HydrophobicContact CB-CD2 3.56Å; R423-L527 PolarHBondContact NH2-O 3.38Å; L488-L527 HydrophobicContact CD1-CD1 3.98Å; L488-L527 HydrophobicContact CD2-CD1 4.02Å; L488-L527 HydrophobicContact CD2-CD2 4.18Å; L488-L527 HydrophobicContact CD2-CG 4.47Å; L488-L527 HydrophobicContact CG-CD1 3.66Å; L523-L527 VanDerWaalsContact O-CG 3.3Å; L523-L527 WeakPolarHBondContact O-CG 3.32Å; L523-L527 PolarHBondContact O-N 3.01Å; E525-L527 PolarHBondContact O-N 3.03Å
528	R	91.9	Very high	92.3	Very high	180 Å²	180	52.2 Å²	52.2	68%	0.679	29%	0.292	S	S	*	.	H	α-helix	trans	-72.2	-33	174.6	-63.7	175.5	173.9	159.7	-8.4	111.5	E525 A526 P530	E525-R528 WeakPolarHBondContact O-CB 3.47Å; E525-R528 PolarHBondContact O-N 3.35Å; E525-R528 IonicContact OE2-CZ 2.75Å; E525-R528 IonicContact OE2-NE 3.98Å; E525-R528 IonicContact OE2-NH1 2.91Å; E525-R528 PolarHBondContact OE2-NH1 3.05Å; A526-R528 VanDerWaalsContact C-N 3.33Å; R528-P530 VanDerWaalsContact C-CD 3.45Å; R528-P530 WeakPolarHBondContact O-CD 3.4Å
529	T	90.3	Very high	92.4	Very high	92 Å²	92	51.2 Å²	51.2	56%	0.564	28%	0.279	S	S	*	.	S	Bend	trans	-123.3	67	177.1	53.2	0	0	0	0	111.1	A526 Y531	A526-T529 CarbonylContact O-C 3.3Å; A526-T529 PolarHBondContact O-N 3.3Å; T529-Y531 PolarHBondContact O-N 2.85Å
530	P	90.6	Very high	92.2	Very high	12 Å²	12	55.1 Å²	55.1	8%	0.078	30%	0.304	C	S	.	.			trans	-71.6	-12.1	-171.8	33.4	-40.3	0	0	0	114.4	L393 P394 Q425 A526 R528	L393-P530 HydrophobicContact CD1-CB 3.99Å; P394-P530 WeakPolarHBondContact CD-O 3.34Å; Q425-P530 PolarHBondContact NE2-O 2.85Å; A526-P530 WeakPolarHBondContact O-CA 3.43Å; R528-P530 VanDerWaalsContact C-CD 3.45Å; R528-P530 WeakPolarHBondContact O-CD 3.4Å
531	Y	92.7	Very high	92.2	Very high	71 Å²	71	56.4 Å²	56.4	28%	0.278	31%	0.312	S	S	.	.	S	Bend	trans	-129.8	166.7	-177.8	-56.4	-58.9	0	0	0	110.1	T529 E559	T529-Y531 PolarHBondContact O-N 2.85Å; Y531-E559 HydrophobicContact CD2-CG 4.17Å; Y531-E559 HydrophobicContact CG-CB 4.38Å
532	Y	94.5	Very high	92.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.008	29%	0.288	C	S	.	.			trans	-116.7	143.3	173.4	56.7	-88.6	0	0	0	110	P394 F545 T556 S557 P558 E559 W636 L644	P394-Y532 HydrophobicContact CG-CD1 4.08Å; Y532-F545 HydrophobicContact CE2-CE1 4.12Å; Y532-F545 AromaticContact CE2-CZ 3.85Å; Y532-F545 HydrophobicContact CE2-CZ 3.85Å; Y532-F545 WeakPolarHBondContact OH-CZ 3.38Å; Y532-T556 WeakPolarHBondContact CE1-OG1 3.41Å; Y532-T556 WeakPolarHBondContact OH-CG2 3.39Å; Y532-T556 PolarHBondContact OH-OG1 3.49Å; Y532-S557 WeakPolarHBondContact CE1-O 3.21Å; Y532-S557 VanDerWaalsContact OH-C 3.3Å; Y532-S557 PolarHBondContact OH-O 3.04Å; Y532-P558 HydrophobicContact CD2-CB 3.94Å; Y532-P558 HydrophobicContact CE2-CB 3.71Å; Y532-P558 CarbonylContact O-C 3.49Å; Y532-P558 WeakPolarHBondContact O-CA 3.46Å; Y532-P558 WeakPolarHBondContact O-CB 3.23Å; Y532-E559 PolarHBondContact O-N 2.94Å; Y532-W636 AromaticContact CD2-CH2 3.58Å; Y532-W636 HydrophobicContact CD2-CH2 3.58Å; Y532-W636 HydrophobicContact CD2-CZ2 4.18Å; Y532-W636 HydrophobicContact CD2-CZ3 4.47Å; Y532-W636 HydrophobicContact CE1-CH2 4.48Å; Y532-W636 AromaticContact CE2-CH2 3.43Å; Y532-W636 HydrophobicContact CE2-CH2 3.43Å; Y532-W636 VanDerWaalsContact CE2-CH2 3.43Å; Y532-W636 HydrophobicContact CE2-CZ2 4.4Å; Y532-W636 AromaticContact CE2-CZ3 3.89Å; Y532-W636 HydrophobicContact CE2-CZ3 3.89Å; Y532-W636 HydrophobicContact CG-CH2 4.17Å; Y532-W636 AromaticContact CZ-CH2 3.92Å; Y532-L644 HydrophobicContact CD1-CD2 3.89Å; Y532-L644 HydrophobicContact CE1-CD2 3.51Å
533	S	94.6	Very high	92.4	Very high	26 Å²	26	52.7 Å²	52.7	18%	0.182	28%	0.283	C	S	.	.			trans	-70.3	149.3	176.8	169.2	0	0	0	0	111.8	A535 Q536 E561	S533-A535 PolarHBondContact O-N 3.3Å; S533-A535 WeakPolarHBondContact OG-CB 3.3Å; S533-A535 PolarHBondContact OG-N 2.88Å; S533-A535 VanDerWaalsContact OG-N 3.11Å; S533-Q536 WeakPolarHBondContact O-CB 3.48Å; S533-Q536 PolarHBondContact O-N 2.85Å; S533-Q536 VanDerWaalsContact O-N 3.15Å; S533-E561 WeakPolarHBondContact CA-OE1 3.32Å; S533-E561 WeakPolarHBondContact CB-OE1 3.23Å; S533-E561 PolarHBondContact OG-OE1 3.1Å; S533-E561 PolarHBondContact OG-OE2 3Å
534	V	94.1	Very high	92.5	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.036	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-61.1	-31.2	172.5	-175.3	0	0	0	0	110.8	Q536 V537 L542 R543 P558 E561	V534-Q536 PolarHBondContact O-N 2.83Å; V534-V537 WeakPolarHBondContact O-CB 3.27Å; V534-V537 WeakPolarHBondContact O-CG2 3.19Å; V534-V537 PolarHBondContact O-N 3.15Å; V534-L542 HydrophobicContact CG1-CB 4.14Å; V534-L542 HydrophobicContact CG1-CD2 3.98Å; V534-L542 HydrophobicContact CG1-CG 3.79Å; V534-L542 WeakPolarHBondContact CG1-O 3.5Å; V534-R543 WeakPolarHBondContact CG2-O 3.43Å; V534-P558 HydrophobicContact CG2-CB 3.7Å; V534-P558 HydrophobicContact CG2-CG 3.6Å; V534-E561 VanDerWaalsContact CB-OE2 3.3Å; V534-E561 WeakPolarHBondContact CB-OE2 3.33Å; V534-E561 VanDerWaalsContact CG2-OE2 3.32Å; V534-E561 WeakPolarHBondContact CG2-OE2 3.06Å; V534-E561 PolarHBondContact N-OE2 3.28Å
535	A	92.3	Very high	92.8	Very high	80 Å²	80	48.7 Å²	48.7	66%	0.661	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-59.3	-31.7	177.3	0	0	0	0	0	112.8	S533 V537 G538	S533-A535 PolarHBondContact O-N 3.3Å; S533-A535 WeakPolarHBondContact OG-CB 3.3Å; S533-A535 PolarHBondContact OG-N 2.88Å; S533-A535 VanDerWaalsContact OG-N 3.11Å; A535-V537 PolarHBondContact O-N 3.38Å; A535-V537 VanDerWaalsContact O-N 3.17Å; A535-G538 PolarHBondContact O-N 2.93Å; A535-G538 VanDerWaalsContact O-N 3.1Å
536	Q	92	Very high	93	Very high	102 Å²	102	44 Å²	44	48%	0.477	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-64.9	-18.2	178.2	-61	-179.1	21.7	0	0	113.3	S533 V534 W636	S533-Q536 WeakPolarHBondContact O-CB 3.48Å; S533-Q536 PolarHBondContact O-N 2.85Å; S533-Q536 VanDerWaalsContact O-N 3.15Å; V534-Q536 PolarHBondContact O-N 2.83Å; Q536-W636 PolarHBondContact O-NE1 2.94Å
537	V	93.1	Very high	93.2	Very high	13 Å²	13	44.3 Å²	44.3	8%	0.079	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-80	-22.5	177.9	-168	0	0	0	0	111.7	V534 A535 I539 L542 F545 L633 W636	V534-V537 WeakPolarHBondContact O-CB 3.27Å; V534-V537 WeakPolarHBondContact O-CG2 3.19Å; V534-V537 PolarHBondContact O-N 3.15Å; A535-V537 PolarHBondContact O-N 3.38Å; A535-V537 VanDerWaalsContact O-N 3.17Å; V537-I539 HydrophobicContact CG1-CD1 3.61Å; V537-I539 HydrophobicContact CG1-CG1 3.93Å; V537-I539 PolarHBondContact O-N 2.86Å; V537-L542 HydrophobicContact CG1-CD2 4.48Å; V537-F545 HydrophobicContact CG2-CE1 3.96Å; V537-L633 HydrophobicContact CG1-CD1 3.64Å; V537-W636 HydrophobicContact CG1-CB 4.38Å; V537-W636 HydrophobicContact CG1-CD2 4.21Å; V537-W636 HydrophobicContact CG1-CE3 4.49Å; V537-W636 HydrophobicContact CG1-CG 4.14Å; V537-W636 HydrophobicContact CG2-CD2 4.27Å; V537-W636 HydrophobicContact CG2-CE3 4.37Å; V537-W636 HydrophobicContact CG2-CH2 4.37Å; V537-W636 HydrophobicContact CG2-CZ2 4.23Å; V537-W636 HydrophobicContact CG2-CZ3 4.43Å
538	G	90.9	Very high	93.4	Very high	56 Å²	56	44.3 Å²	44.3	58%	0.577	24%	0.244	S	C	*	.			trans	67.5	30.6	178	0	0	0	0	0	114.6	A535	A535-G538 PolarHBondContact O-N 2.93Å; A535-G538 VanDerWaalsContact O-N 3.1Å
539	I	91.9	Very high	93.5	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.072	22%	0.215	C	C	.	.			trans	-107.8	119.1	177.9	-64.5	175.4	0	0	0	109.3	V537 L542 A629 K632 L633	V537-I539 HydrophobicContact CG1-CD1 3.61Å; V537-I539 HydrophobicContact CG1-CG1 3.93Å; V537-I539 PolarHBondContact O-N 2.86Å; I539-L542 HydrophobicContact CB-CB 4.03Å; I539-L542 HydrophobicContact CB-CD2 3.99Å; I539-L542 HydrophobicContact CD1-CD2 4.08Å; I539-L542 HydrophobicContact CG2-CB 3.73Å; I539-L542 HydrophobicContact CG2-CD2 4.2Å; I539-A629 HydrophobicContact CD1-CB 4.35Å; I539-A629 WeakPolarHBondContact CD1-O 3.4Å; I539-A629 HydrophobicContact CG2-CB 3.52Å; I539-K632 HydrophobicContact CD1-CB 3.95Å; I539-K632 HydrophobicContact CG1-CB 3.97Å; I539-K632 HydrophobicContact CG1-CD 4.4Å; I539-L633 HydrophobicContact CD1-CB 3.68Å
540	P	89.1	Confident	93.6	Very high	89 Å²	89	34.8 Å²	34.8	58%	0.578	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	152.3	176	30.3	-35.4	0	0	0	110.9	L542	P540-L542 PolarHBondContact O-N 2.63Å
541	D	90.1	Very high	93.4	Very high	69 Å²	69	37.8 Å²	37.8	37%	0.369	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-6.5	-178.8	-59.1	-52.9	0	0	0	116.6	R543 Y617 S618	D541-R543 PolarHBondContact O-N 3.16Å; D541-Y617 CarbonylContact O-C 3.49Å; D541-Y617 WeakPolarHBondContact O-CA 3.03Å; D541-S618 PolarHBondContact O-N 2.93Å
542	L	94.3	Very high	93.1	Very high	15 Å²	15	35.9 Å²	35.9	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.6	173.9	-175.9	64	0	0	0	109.3	V534 V537 I539 P540 F545 M615 Y617	V534-L542 HydrophobicContact CG1-CB 4.14Å; V534-L542 HydrophobicContact CG1-CD2 3.98Å; V534-L542 HydrophobicContact CG1-CG 3.79Å; V534-L542 WeakPolarHBondContact CG1-O 3.5Å; V537-L542 HydrophobicContact CG1-CD2 4.48Å; I539-L542 HydrophobicContact CB-CB 4.03Å; I539-L542 HydrophobicContact CB-CD2 3.99Å; I539-L542 HydrophobicContact CD1-CD2 4.08Å; I539-L542 HydrophobicContact CG2-CB 3.73Å; I539-L542 HydrophobicContact CG2-CD2 4.2Å; P540-L542 PolarHBondContact O-N 2.63Å; L542-F545 HydrophobicContact CD2-CD1 4.15Å; L542-M615 HydrophobicContact CD1-CB 4.29Å; L542-M615 HydrophobicContact CD1-CE 3.73Å; L542-M615 HydrophobicContact CD2-CE 4.26Å; L542-Y617 HydrophobicContact CB-CD1 4.36Å; L542-Y617 HydrophobicContact CB-CE1 4.36Å; L542-Y617 HydrophobicContact CD1-CD1 4.23Å; L542-Y617 HydrophobicContact CD1-CE1 4.01Å
543	R	94.6	Very high	92.9	Very high	55 Å²	55	36.8 Å²	36.8	21%	0.208	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-31.2	177.3	-65.1	-177.9	170.6	167.4	2.2	113.7	V534 D541 Y564 N600 E601 C616 P619	V534-R543 WeakPolarHBondContact CG2-O 3.43Å; D541-R543 PolarHBondContact O-N 3.16Å; R543-Y564 HydrophobicContact CB-CE2 3.92Å; R543-Y564 WeakPolarHBondContact CD-OH 3.38Å; R543-N600 PolarHBondContact NH1-O 3.23Å; R543-E601 IonicContact NH1-OE1 3.07Å; R543-E601 PolarHBondContact NH1-OE1 2.99Å; R543-C616 PolarHBondContact N-O 3.11Å; R543-P619 VanDerWaalsContact NH2-CD 3.31Å
544	H	96.6	Very high	92.9	Very high	5 Å²	5	36 Å²	36	2%	0.023	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	159.6	176.8	-167.8	-95	0	0	0	110.7	L573 Y577 C616	H544-L573 HydrophobicContact CB-CD2 4.16Å; H544-Y577 WeakPolarHBondContact CB-OH 3.43Å; H544-Y577 AromaticContact ND1-CE2 3.51Å; H544-Y577 AromaticContact ND1-CZ 3.57Å; H544-Y577 PolarHBondContact ND1-OH 3.35Å; H544-Y577 PolarHBondContact O-OH 3.32Å; H544-C616 HydrophobicContact CB-CB 4.37Å; H544-C616 PolarHBondContact N-O 2.77Å; H544-C616 PolarHBondContact O-N 2.88Å
545	F	97.1	Very high	93	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159.2	168.8	71.1	-83.3	0	0	0	112.5	Y532 V537 L542 T556 P558 Y577 L613 Y614 M615 L633 W636 I637	Y532-F545 HydrophobicContact CE2-CE1 4.12Å; Y532-F545 AromaticContact CE2-CZ 3.85Å; Y532-F545 HydrophobicContact CE2-CZ 3.85Å; Y532-F545 WeakPolarHBondContact OH-CZ 3.38Å; V537-F545 HydrophobicContact CG2-CE1 3.96Å; L542-F545 HydrophobicContact CD2-CD1 4.15Å; F545-T556 HydrophobicContact CE2-CG2 4.3Å; F545-P558 HydrophobicContact CD1-CG 3.85Å; F545-P558 HydrophobicContact CE1-CB 4.35Å; F545-P558 HydrophobicContact CE1-CG 3.78Å; F545-P558 WeakPolarHBondContact O-CD 3.45Å; F545-Y577 PolarHBondContact N-OH 3.29Å; F545-L613 HydrophobicContact CD2-CD1 4.34Å; F545-Y614 CarbonylContact C-O 3.59Å; F545-Y614 WeakPolarHBondContact CA-O 3.39Å; F545-Y614 WeakPolarHBondContact CB-O 3.23Å; F545-M615 HydrophobicContact CB-CB 4.49Å; F545-M615 HydrophobicContact CB-CG 4.15Å; F545-L633 HydrophobicContact CB-CD2 4.28Å; F545-L633 HydrophobicContact CD1-CD1 4.35Å; F545-L633 HydrophobicContact CD1-CD2 4.34Å; F545-L633 HydrophobicContact CD2-CD1 4.28Å; F545-L633 HydrophobicContact CD2-CD2 3.75Å; F545-L633 HydrophobicContact CE1-CD1 3.97Å; F545-L633 HydrophobicContact CE2-CD1 3.89Å; F545-L633 HydrophobicContact CE2-CD2 4.15Å; F545-L633 HydrophobicContact CG-CD2 3.85Å; F545-L633 HydrophobicContact CZ-CD1 3.71Å; F545-W636 HydrophobicContact CZ-CZ3 4.29Å; F545-I637 HydrophobicContact CE2-CD1 4.1Å
546	L	97.7	Very high	93.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.6	167.6	-58.9	177.6	0	0	0	107.9	P383 M387 F555 Y577 L613 Y614	P383-L546 HydrophobicContact CB-CD1 3.78Å; P383-L546 HydrophobicContact CB-CD2 3.81Å; P383-L546 HydrophobicContact CB-CG 4.48Å; P383-L546 HydrophobicContact CG-CD2 3.74Å; M387-L546 HydrophobicContact CE-CB 4.43Å; M387-L546 HydrophobicContact CG-CD1 4.43Å; M387-L546 HydrophobicContact SD-CB 4.28Å; M387-L546 HydrophobicContact SD-CD1 4.06Å; L546-F555 HydrophobicContact CD2-CE2 4.48Å; L546-Y577 HydrophobicContact CD1-CD1 3.97Å; L546-Y577 HydrophobicContact CD1-CD2 3.67Å; L546-Y577 HydrophobicContact CD1-CE1 4.37Å; L546-Y577 HydrophobicContact CD1-CE2 4.08Å; L546-Y577 HydrophobicContact CD1-CG 3.62Å; L546-Y577 HydrophobicContact CG-CD1 4.36Å; L546-Y577 HydrophobicContact CG-CD2 4.16Å; L546-Y577 HydrophobicContact CG-CE1 4.26Å; L546-Y577 HydrophobicContact CG-CE2 4.03Å; L546-Y577 HydrophobicContact CG-CG 4.33Å; L546-L613 WeakPolarHBondContact O-CA 3.45Å; L546-Y614 HydrophobicContact CB-CD2 4.37Å; L546-Y614 PolarHBondContact N-O 3.4Å; L546-Y614 PolarHBondContact O-N 3.45Å
547	Y	97.3	Very high	93.4	Very high	18 Å²	18	27.7 Å²	27.7	7%	0.071	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.7	171.7	174.4	-86.5	0	0	0	110.4	F555 T556 F611 E612 L613 M634 I637 F645	Y547-F555 CarbonylContact O-C 3.58Å; Y547-F555 WeakPolarHBondContact O-CA 3.41Å; Y547-F555 VanDerWaalsContact O-CB 3.29Å; Y547-F555 WeakPolarHBondContact O-CB 3.43Å; Y547-T556 HydrophobicContact CD1-CG2 4.28Å; Y547-T556 PolarHBondContact N-O 2.87Å; Y547-T556 PolarHBondContact O-N 3.44Å; Y547-F611 HydrophobicContact CD2-CB 4.49Å; Y547-F611 HydrophobicContact CD2-CD2 4.21Å; Y547-F611 HydrophobicContact CE2-CB 3.61Å; Y547-F611 HydrophobicContact CE2-CD1 4.49Å; Y547-F611 AromaticContact CE2-CD2 3.65Å; Y547-F611 HydrophobicContact CE2-CD2 3.65Å; Y547-F611 HydrophobicContact CE2-CE2 4.48Å; Y547-F611 AromaticContact CE2-CG 3.67Å; Y547-F611 HydrophobicContact CE2-CG 3.67Å; Y547-E612 CarbonylContact C-O 3.58Å; Y547-E612 WeakPolarHBondContact CA-O 3.24Å; Y547-L613 HydrophobicContact CD2-CB 4.3Å; Y547-L613 HydrophobicContact CD2-CD1 4.28Å; Y547-M634 HydrophobicContact CD2-SD 4.21Å; Y547-M634 HydrophobicContact CE2-CE 3.76Å; Y547-M634 HydrophobicContact CE2-SD 3.75Å; Y547-I637 HydrophobicContact CD1-CD1 4.04Å; Y547-I637 HydrophobicContact CD1-CG2 4.13Å; Y547-I637 HydrophobicContact CD2-CD1 3.67Å; Y547-I637 HydrophobicContact CE1-CG2 3.87Å; Y547-I637 HydrophobicContact CE2-CD1 4.24Å; Y547-I637 HydrophobicContact CG-CD1 3.54Å; Y547-F645 HydrophobicContact CD1-CE2 4.46Å; Y547-F645 AromaticContact CD1-CZ 3.72Å; Y547-F645 HydrophobicContact CD1-CZ 3.72Å; Y547-F645 HydrophobicContact CE1-CE2 4.24Å; Y547-F645 AromaticContact CE1-CZ 3.83Å; Y547-F645 HydrophobicContact CE1-CZ 3.83Å
548	K	96.4	Very high	93.5	Very high	26 Å²	26	27.1 Å²	27.1	11%	0.113	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128	174.9	166.1	-172.1	177.4	-172.9	0	109.9	M387 A389 F555 F611 E612	M387-K548 HydrophobicContact CB-CD 4.39Å; M387-K548 HydrophobicContact CE-CB 3.3Å; M387-K548 HydrophobicContact CE-CD 4.03Å; M387-K548 HydrophobicContact CE-CG 4.34Å; M387-K548 VanDerWaalsContact O-CD 3.24Å; M387-K548 WeakPolarHBondContact O-CD 3.46Å; M387-K548 WeakPolarHBondContact O-CE 3.49Å; M387-K548 PolarHBondContact O-NZ 2.82Å; A389-K548 HydrophobicContact CB-CD 4.3Å; A389-K548 HydrophobicContact CB-CG 4.18Å; K548-F555 HydrophobicContact CB-CB 3.96Å; K548-F611 CarbonylContact O-C 3.53Å; K548-F611 WeakPolarHBondContact O-CA 3.43Å; K548-F611 VanDerWaalsContact O-CB 3.3Å; K548-F611 WeakPolarHBondContact O-CB 3.5Å; K548-E612 HydrophobicContact CB-CB 4.35Å; K548-E612 HydrophobicContact CD-CG 4.27Å; K548-E612 PolarHBondContact N-O 2.88Å; K548-E612 IonicContact NZ-OE1 3.23Å; K548-E612 PolarHBondContact NZ-OE1 3.18Å; K548-E612 PolarHBondContact O-N 3.35Å
549	S	94.2	Very high	93.7	Very high	8 Å²	8	28.9 Å²	28.9	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.4	164	-178.9	0	0	0	0	109.3	S551 S552 G553 L554	S549-S551 PolarHBondContact OG-OG 3.3Å; S549-S551 VanDerWaalsContact OG-OG 3.08Å; S549-S552 WeakPolarHBondContact CB-OG 3.16Å; S549-S552 PolarHBondContact OG-OG 2.83Å; S549-G553 PolarHBondContact O-N 3.12Å; S549-L554 PolarHBondContact N-O 3.31Å
550	K	90.8	Very high	93.7	Very high	63 Å²	63	31.5 Å²	31.5	27%	0.274	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-23.3	-179.8	-66.9	-177.1	172.9	-175.7	0	112.8	T608 G609 A610 E612	K550-T608 WeakPolarHBondContact CE-O 3.27Å; K550-T608 PolarHBondContact NZ-O 3.28Å; K550-G609 WeakPolarHBondContact CD-O 3.44Å; K550-A610 WeakPolarHBondContact CB-O 3.33Å; K550-A610 PolarHBondContact N-O 2.88Å; K550-E612 HydrophobicContact CD-CG 4.48Å; K550-E612 WeakPolarHBondContact CE-OE1 3.49Å; K550-E612 IonicContact NZ-OE1 3.14Å
551	S	87.9	Confident	93.9	Very high	76 Å²	76	30.2 Å²	30.2	53%	0.531	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-40.1	178.3	52.1	0	0	0	0	112.7	F148 S549	F148-S551 WeakPolarHBondContact CB-O 3.27Å; S549-S551 PolarHBondContact OG-OG 3.3Å; S549-S551 VanDerWaalsContact OG-OG 3.08Å
552	S	86.1	Confident	93.9	Very high	30 Å²	30	30.6 Å²	30.6	21%	0.21	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-13.3	-179.7	59.3	0	0	0	0	114.4	S549 L554	S549-S552 WeakPolarHBondContact CB-OG 3.16Å; S549-S552 PolarHBondContact OG-OG 2.83Å; S552-L554 PolarHBondContact O-N 2.84Å
553	G	89.6	Confident	93.8	Very high	21 Å²	21	32 Å²	32	22%	0.216	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	19.1	-174.4	0	0	0	0	0	113.4	A389 A390 S549	A389-G553 VanDerWaalsContact CA-O 3.27Å; A389-G553 WeakPolarHBondContact CA-O 3.28Å; A389-G553 VanDerWaalsContact CB-O 3.28Å; A389-G553 WeakPolarHBondContact CB-O 3.49Å; A390-G553 PolarHBondContact N-O 3.48Å; S549-G553 PolarHBondContact O-N 3.12Å
554	L	94.6	Very high	93.8	Very high	11 Å²	11	29.4 Å²	29.4	6%	0.058	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	152.6	-177.1	-61.6	174.6	0	0	0	111.2	A390 L426 S549 S552 F645 I646	A390-L554 HydrophobicContact CB-CD2 4.1Å; A390-L554 VanDerWaalsContact O-CA 3.31Å; A390-L554 WeakPolarHBondContact O-CA 3.46Å; A390-L554 WeakPolarHBondContact O-CD2 3.36Å; L426-L554 HydrophobicContact CD2-CD2 4.29Å; S549-L554 PolarHBondContact N-O 3.31Å; S552-L554 PolarHBondContact O-N 2.84Å; L554-F645 HydrophobicContact CB-CD1 3.79Å; L554-F645 HydrophobicContact CB-CE1 4.38Å; L554-F645 HydrophobicContact CD1-CB 4.24Å; L554-F645 HydrophobicContact CD1-CD1 4.39Å; L554-I646 HydrophobicContact CD1-CB 4.05Å
555	F	96.4	Very high	93.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	162.9	171.7	85.9	-74.4	0	0	0	112	P383 S384 M387 A389 A390 R391 L546 Y547 K548	P383-F555 HydrophobicContact CB-CE2 4.4Å; P383-F555 HydrophobicContact CG-CE2 3.98Å; P383-F555 HydrophobicContact CG-CZ 4.29Å; S384-F555 VanDerWaalsContact CB-CE1 3.45Å; M387-F555 HydrophobicContact CB-CG 4.42Å; M387-F555 HydrophobicContact CG-CD2 4.37Å; M387-F555 HydrophobicContact CG-CG 4.46Å; A389-F555 HydrophobicContact CB-CB 4.06Å; A389-F555 HydrophobicContact CB-CD1 3.94Å; A389-F555 HydrophobicContact CB-CG 4.42Å; A389-F555 VanDerWaalsContact O-CD1 3.31Å; A389-F555 WeakPolarHBondContact O-CD1 3.14Å; A389-F555 VanDerWaalsContact O-CE1 3.31Å; A389-F555 WeakPolarHBondContact O-CE1 3.11Å; A390-F555 VanDerWaalsContact C-CD1 3.49Å; A390-F555 WeakPolarHBondContact O-CD1 3.39Å; A390-F555 PolarHBondContact O-N 2.86Å; R391-F555 HydrophobicContact CB-CD1 4.35Å; R391-F555 HydrophobicContact CB-CE1 3.65Å; R391-F555 HydrophobicContact CB-CZ 3.85Å; R391-F555 HydrophobicContact CG-CZ 4.43Å; R391-F555 VanDerWaalsContact CZ-CZ 3.44Å; L546-F555 HydrophobicContact CD2-CE2 4.48Å; Y547-F555 CarbonylContact O-C 3.58Å; Y547-F555 WeakPolarHBondContact O-CA 3.41Å; Y547-F555 VanDerWaalsContact O-CB 3.29Å; Y547-F555 WeakPolarHBondContact O-CB 3.43Å; K548-F555 HydrophobicContact CB-CB 3.96Å
556	T	96.3	Very high	93.5	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147	175.6	-163.1	0	0	0	0	110.1	Y532 F545 Y547 L644 F645	Y532-T556 WeakPolarHBondContact CE1-OG1 3.41Å; Y532-T556 WeakPolarHBondContact OH-CG2 3.39Å; Y532-T556 PolarHBondContact OH-OG1 3.49Å; F545-T556 HydrophobicContact CE2-CG2 4.3Å; Y547-T556 HydrophobicContact CD1-CG2 4.28Å; Y547-T556 PolarHBondContact N-O 2.87Å; Y547-T556 PolarHBondContact O-N 3.44Å; T556-L644 HydrophobicContact CG2-CD1 4.28Å; T556-F645 HydrophobicContact CG2-CE1 4.26Å; T556-F645 HydrophobicContact CG2-CZ 3.64Å
557	S	96.2	Very high	93.2	Very high	6 Å²	6	41 Å²	41	4%	0.042	24%	0.241	C	C	.	.			trans	-144.2	149.4	172.6	67.5	0	0	0	0	107.9	R391 Y532	R391-S557 PolarHBondContact NE-OG 3.06Å; R391-S557 PolarHBondContact NH2-OG 2.87Å; R391-S557 VanDerWaalsContact NH2-OG 3.13Å; Y532-S557 WeakPolarHBondContact CE1-O 3.21Å; Y532-S557 VanDerWaalsContact OH-C 3.3Å; Y532-S557 PolarHBondContact OH-O 3.04Å
558	P	95.7	Very high	92.9	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.013	27%	0.272	C	S	.	.			trans	-68.7	178.4	166.1	30.8	-29.4	0	0	0	110.1	Y532 V534 F545	Y532-P558 HydrophobicContact CD2-CB 3.94Å; Y532-P558 HydrophobicContact CE2-CB 3.71Å; Y532-P558 CarbonylContact O-C 3.49Å; Y532-P558 WeakPolarHBondContact O-CA 3.46Å; Y532-P558 WeakPolarHBondContact O-CB 3.23Å; V534-P558 HydrophobicContact CG2-CB 3.7Å; V534-P558 HydrophobicContact CG2-CG 3.6Å; F545-P558 HydrophobicContact CD1-CG 3.85Å; F545-P558 HydrophobicContact CE1-CB 4.35Å; F545-P558 HydrophobicContact CE1-CG 3.78Å; F545-P558 WeakPolarHBondContact O-CD 3.45Å
559	E	94.3	Very high	92.8	Very high	93 Å²	93	48.7 Å²	48.7	44%	0.435	28%	0.278	S	S	.	.			trans	-65.6	154.4	165.6	-164.3	154.8	-156.5	0	0	111	Y531 Y532 E561	Y531-E559 HydrophobicContact CD2-CG 4.17Å; Y531-E559 HydrophobicContact CG-CB 4.38Å; Y532-E559 PolarHBondContact O-N 2.94Å; E559-E561 PolarHBondContact O-N 3.2Å
560	I	93.4	Very high	92.8	Very high	68 Å²	68	52 Å²	52	35%	0.349	29%	0.292	S	S	.	.			trans	-84.2	103.7	175.8	-61.2	-179	0	0	0	108.2	Y564 Q570	I560-Y564 VanDerWaalsContact CG2-CB 3.42Å; I560-Y564 HydrophobicContact CG2-CG 4.37Å; I560-Y564 WeakPolarHBondContact CG2-O 3.49Å; I560-Q570 HydrophobicContact CG2-CG 4.03Å
561	E	93.3	Very high	92.9	Very high	62 Å²	62	53.2 Å²	53.2	29%	0.29	30%	0.299	S	S	.	.			trans	-100.9	175	-177.4	-63	177.1	137.9	0	0	111.7	S533 V534 E559 Y564	S533-E561 WeakPolarHBondContact CA-OE1 3.32Å; S533-E561 WeakPolarHBondContact CB-OE1 3.23Å; S533-E561 PolarHBondContact OG-OE1 3.1Å; S533-E561 PolarHBondContact OG-OE2 3Å; V534-E561 VanDerWaalsContact CB-OE2 3.3Å; V534-E561 WeakPolarHBondContact CB-OE2 3.33Å; V534-E561 VanDerWaalsContact CG2-OE2 3.32Å; V534-E561 WeakPolarHBondContact CG2-OE2 3.06Å; V534-E561 PolarHBondContact N-OE2 3.28Å; E559-E561 PolarHBondContact O-N 3.2Å; E561-Y564 WeakPolarHBondContact O-CD2 3.37Å; E561-Y564 PolarHBondContact O-N 3.19Å
562	A	89.3	Confident	93.1	Very high	78 Å²	78	52.2 Å²	52.2	65%	0.645	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	136.7	174.8	0	0	0	0	0	111.5	T565	A562-T565 HydrophobicContact CB-CG2 4.37Å
563	P	92.4	Very high	93.6	Very high	43 Å²	43	51 Å²	51	28%	0.279	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	cis	-101.8	51	13.5	41.3	-35.7	0	0	0	113.1
564	Y	93.9	Very high	93.8	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	27%	0.267	C	S	.	.			trans	-120	54.3	175.8	-52.3	-67.1	0	0	0	111.2	R543 I560 E561 E569 Q570 L573 E601 C616	R543-Y564 HydrophobicContact CB-CE2 3.92Å; R543-Y564 WeakPolarHBondContact CD-OH 3.38Å; I560-Y564 VanDerWaalsContact CG2-CB 3.42Å; I560-Y564 HydrophobicContact CG2-CG 4.37Å; I560-Y564 WeakPolarHBondContact CG2-O 3.49Å; E561-Y564 WeakPolarHBondContact O-CD2 3.37Å; E561-Y564 PolarHBondContact O-N 3.19Å; Y564-E569 HydrophobicContact CD1-CB 4.19Å; Y564-E569 WeakPolarHBondContact CD1-O 3.49Å; Y564-Q570 WeakPolarHBondContact O-CG 3.31Å; Y564-Q570 PolarHBondContact O-NE2 3.47Å; Y564-L573 HydrophobicContact CD1-CB 3.94Å; Y564-L573 HydrophobicContact CD1-CD2 4.22Å; Y564-L573 HydrophobicContact CD2-CD2 3.81Å; Y564-L573 HydrophobicContact CE1-CB 4.02Å; Y564-L573 HydrophobicContact CE1-CD1 4.17Å; Y564-L573 HydrophobicContact CE1-CD2 4.42Å; Y564-L573 HydrophobicContact CE1-CG 4.42Å; Y564-L573 HydrophobicContact CE2-CD1 4.23Å; Y564-L573 HydrophobicContact CE2-CD2 3.99Å; Y564-L573 HydrophobicContact CG-CB 4.45Å; Y564-L573 HydrophobicContact CG-CD2 3.94Å; Y564-E601 WeakPolarHBondContact OH-CG 3.46Å; Y564-C616 PolarHBondContact OH-SG 3.35Å
565	T	92.4	Very high	93.8	Very high	109 Å²	109	50.1 Å²	50.1	67%	0.669	27%	0.266	S	S	*	.			trans	-89.9	-33.6	-172.6	47.2	0	0	0	0	113.6	A562 E569	A562-T565 HydrophobicContact CB-CG2 4.37Å; T565-E569 PolarHBondContact N-OE2 3.06Å; T565-E569 PolarHBondContact OG1-OE2 3.4Å
566	S	94.9	Very high	93.7	Very high	48 Å²	48	51.2 Å²	51.2	34%	0.336	27%	0.272	S	S	.	.	S	Bend	trans	-90.1	156.4	174.6	78.1	0	0	0	0	111.7	E568 E569 Q570	S566-E568 VanDerWaalsContact C-N 3.29Å; S566-E568 PolarHBondContact O-N 3.31Å; S566-E569 PolarHBondContact N-OE2 3.11Å; S566-E569 WeakPolarHBondContact O-CB 3.35Å; S566-E569 PolarHBondContact O-N 2.7Å; S566-E569 VanDerWaalsContact O-N 3.08Å; S566-E569 VanDerWaalsContact OG-CG 3.3Å; S566-E569 WeakPolarHBondContact OG-CG 3.11Å; S566-E569 PolarHBondContact OG-N 3.2Å; S566-Q570 WeakPolarHBondContact O-CG 3.5Å; S566-Q570 PolarHBondContact O-N 3.24Å; S566-Q570 VanDerWaalsContact O-N 3.13Å
567	E	91.4	Very high	93.7	Very high	92 Å²	92	51.2 Å²	51.2	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-56.9	-43	175.6	179.8	164.5	-171.4	0	0	111.8	R381 E569 Q570 E571	R381-E567 IonicContact CZ-OE1 3.63Å; R381-E567 IonicContact CZ-OE2 3.48Å; R381-E567 IonicContact NE-OE1 3.97Å; R381-E567 PolarHBondContact NE-OE1 3.37Å; R381-E567 IonicContact NH2-OE1 2.82Å; R381-E567 PolarHBondContact NH2-OE1 2.86Å; R381-E567 IonicContact NH2-OE2 2.76Å; R381-E567 PolarHBondContact NH2-OE2 2.92Å; R381-E567 VanDerWaalsContact NH2-OE2 3.11Å; E567-E569 VanDerWaalsContact C-N 3.27Å; E567-E569 PolarHBondContact O-N 2.99Å; E567-Q570 WeakPolarHBondContact O-CB 3.18Å; E567-Q570 PolarHBondContact O-N 2.96Å; E567-E571 HydrophobicContact CG-CG 4.27Å; E567-E571 WeakPolarHBondContact O-CG 3.33Å; E567-E571 PolarHBondContact O-N 3.25Å
568	E	91.9	Very high	93.6	Very high	155 Å²	155	51.8 Å²	51.8	72%	0.724	27%	0.273	S	S	*	.	H	α-helix	trans	-57.1	-38.4	175.6	-61.1	-176.7	179.6	0	0	112.6	S566 R572	S566-E568 VanDerWaalsContact C-N 3.29Å; S566-E568 PolarHBondContact O-N 3.31Å; E568-R572 WeakPolarHBondContact O-CB 3.45Å; E568-R572 PolarHBondContact O-N 2.67Å
569	E	93.9	Very high	93.4	Very high	51 Å²	51	55.3 Å²	55.3	24%	0.238	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-34.5	176.9	-68.1	172.7	143.8	0	0	112	Y564 T565 S566 E567 L573	Y564-E569 HydrophobicContact CD1-CB 4.19Å; Y564-E569 WeakPolarHBondContact CD1-O 3.49Å; T565-E569 PolarHBondContact N-OE2 3.06Å; T565-E569 PolarHBondContact OG1-OE2 3.4Å; S566-E569 PolarHBondContact N-OE2 3.11Å; S566-E569 WeakPolarHBondContact O-CB 3.35Å; S566-E569 PolarHBondContact O-N 2.7Å; S566-E569 VanDerWaalsContact O-N 3.08Å; S566-E569 VanDerWaalsContact OG-CG 3.3Å; S566-E569 WeakPolarHBondContact OG-CG 3.11Å; S566-E569 PolarHBondContact OG-N 3.2Å; E567-E569 VanDerWaalsContact C-N 3.27Å; E567-E569 PolarHBondContact O-N 2.99Å; E569-L573 WeakPolarHBondContact O-CB 3.38Å; E569-L573 PolarHBondContact O-N 2.83Å
570	Q	94.1	Very high	93.4	Very high	77 Å²	77	50.9 Å²	50.9	36%	0.36	27%	0.266	S	S	.	.	H	α-helix	trans	-73	-46.4	177.4	-62.6	-176.8	1.5	0	0	111.9	I560 Y564 S566 E567 R572 L573 L574	I560-Q570 HydrophobicContact CG2-CG 4.03Å; Y564-Q570 WeakPolarHBondContact O-CG 3.31Å; Y564-Q570 PolarHBondContact O-NE2 3.47Å; S566-Q570 WeakPolarHBondContact O-CG 3.5Å; S566-Q570 PolarHBondContact O-N 3.24Å; S566-Q570 VanDerWaalsContact O-N 3.13Å; E567-Q570 WeakPolarHBondContact O-CB 3.18Å; E567-Q570 PolarHBondContact O-N 2.96Å; Q570-R572 VanDerWaalsContact C-N 3.26Å; Q570-R572 PolarHBondContact O-N 3.43Å; Q570-L573 WeakPolarHBondContact O-CB 3.42Å; Q570-L573 PolarHBondContact O-N 3.39Å; Q570-L574 PolarHBondContact O-N 2.9Å
571	E	92.5	Very high	93.4	Very high	88 Å²	88	48.8 Å²	48.8	41%	0.411	26%	0.255	S	S	.	.	H	α-helix	trans	-57.8	-41.8	170.8	-71	-165.6	145.8	0	0	111.1	E567 L574 G575	E567-E571 HydrophobicContact CG-CG 4.27Å; E567-E571 WeakPolarHBondContact O-CG 3.33Å; E567-E571 PolarHBondContact O-N 3.25Å; E571-L574 PolarHBondContact O-N 3.5Å; E571-G575 PolarHBondContact O-N 3.15Å
572	R	92.8	Very high	93.4	Very high	55 Å²	55	46.7 Å²	46.7	21%	0.208	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-44.2	176.1	-176.9	179	74.2	78.1	1.6	111.2	E568 Q570 G575 L576 E601	E568-R572 WeakPolarHBondContact O-CB 3.45Å; E568-R572 PolarHBondContact O-N 2.67Å; Q570-R572 VanDerWaalsContact C-N 3.26Å; Q570-R572 PolarHBondContact O-N 3.43Å; R572-G575 PolarHBondContact O-N 3.33Å; R572-L576 VanDerWaalsContact O-CG 3.31Å; R572-L576 WeakPolarHBondContact O-CG 3.33Å; R572-L576 PolarHBondContact O-N 3.48Å; R572-E601 IonicContact CZ-OE1 3.71Å; R572-E601 VanDerWaalsContact CZ-OE1 3.27Å; R572-E601 IonicContact CZ-OE2 3.44Å; R572-E601 IonicContact NH1-OE1 3.27Å; R572-E601 PolarHBondContact NH1-OE1 3.18Å; R572-E601 IonicContact NH1-OE2 3.66Å; R572-E601 PolarHBondContact NH1-OE2 3.11Å; R572-E601 IonicContact NH2-OE1 3.99Å; R572-E601 PolarHBondContact NH2-OE1 2.81Å
573	L	95.3	Very high	93.5	Very high	4 Å²	4	49 Å²	49	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-48.1	175.3	177.2	62.7	0	0	0	111.8	H544 Y564 E569 Q570 G575 L576 Y577 C616	H544-L573 HydrophobicContact CB-CD2 4.16Å; Y564-L573 HydrophobicContact CD1-CB 3.94Å; Y564-L573 HydrophobicContact CD1-CD2 4.22Å; Y564-L573 HydrophobicContact CD2-CD2 3.81Å; Y564-L573 HydrophobicContact CE1-CB 4.02Å; Y564-L573 HydrophobicContact CE1-CD1 4.17Å; Y564-L573 HydrophobicContact CE1-CD2 4.42Å; Y564-L573 HydrophobicContact CE1-CG 4.42Å; Y564-L573 HydrophobicContact CE2-CD1 4.23Å; Y564-L573 HydrophobicContact CE2-CD2 3.99Å; Y564-L573 HydrophobicContact CG-CB 4.45Å; Y564-L573 HydrophobicContact CG-CD2 3.94Å; E569-L573 WeakPolarHBondContact O-CB 3.38Å; E569-L573 PolarHBondContact O-N 2.83Å; Q570-L573 WeakPolarHBondContact O-CB 3.42Å; Q570-L573 PolarHBondContact O-N 3.39Å; L573-G575 VanDerWaalsContact C-N 3.33Å; L573-G575 PolarHBondContact O-N 3.01Å; L573-L576 WeakPolarHBondContact O-CB 3.46Å; L573-L576 PolarHBondContact O-N 3.05Å; L573-L576 VanDerWaalsContact O-N 3.12Å; L573-Y577 HydrophobicContact CD1-CD2 4.3Å; L573-Y577 HydrophobicContact CD1-CE2 3.62Å; L573-Y577 HydrophobicContact CD2-CE2 4.27Å; L573-Y577 HydrophobicContact CG-CD2 4.2Å; L573-Y577 HydrophobicContact CG-CE2 3.7Å; L573-Y577 WeakPolarHBondContact O-CD2 3.42Å; L573-Y577 PolarHBondContact O-N 2.99Å; L573-Y577 VanDerWaalsContact O-N 3.12Å; L573-C616 HydrophobicContact CD1-CB 4.01Å
574	L	94.7	Very high	93.5	Very high	11 Å²	11	47.1 Å²	47.1	6%	0.058	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-40.7	176.9	-174.7	63.6	0	0	0	111.4	A380 P383 L386 Q570 E571 L576 Y577 Q578	A380-L574 WeakPolarHBondContact O-CD2 3.39Å; P383-L574 HydrophobicContact CB-CD1 4.02Å; L386-L574 HydrophobicContact CD2-CD1 4.15Å; Q570-L574 PolarHBondContact O-N 2.9Å; E571-L574 PolarHBondContact O-N 3.5Å; L574-L576 PolarHBondContact O-N 3.33Å; L574-Y577 CarbonylContact O-C 3.59Å; L574-Y577 WeakPolarHBondContact O-CA 3.41Å; L574-Y577 WeakPolarHBondContact O-CB 3.37Å; L574-Y577 PolarHBondContact O-N 2.87Å; L574-Q578 WeakPolarHBondContact O-CG 3.47Å; L574-Q578 PolarHBondContact O-N 2.88Å
575	G	93.9	Very high	93.2	Very high	4 Å²	4	49.1 Å²	49.1	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-24.8	174.6	0	0	0	0	0	114.2	E571 R572 L573 Y579	E571-G575 PolarHBondContact O-N 3.15Å; R572-G575 PolarHBondContact O-N 3.33Å; L573-G575 VanDerWaalsContact C-N 3.33Å; L573-G575 PolarHBondContact O-N 3.01Å; G575-Y579 WeakPolarHBondContact O-CB 3.39Å; G575-Y579 PolarHBondContact O-N 3.37Å; G575-Y579 VanDerWaalsContact O-N 3.14Å
576	L	94.7	Very high	93	Very high	23 Å²	23	47 Å²	47	12%	0.12	22%	0.221	C	C	.	.	H	α-helix	trans	-76.2	-35.8	169.7	-69	175.7	0	0	0	111.6	R572 L573 L574 Y579 L580 E601 L603	R572-L576 VanDerWaalsContact O-CG 3.31Å; R572-L576 WeakPolarHBondContact O-CG 3.33Å; R572-L576 PolarHBondContact O-N 3.48Å; L573-L576 WeakPolarHBondContact O-CB 3.46Å; L573-L576 PolarHBondContact O-N 3.05Å; L573-L576 VanDerWaalsContact O-N 3.12Å; L574-L576 PolarHBondContact O-N 3.33Å; L576-Y579 PolarHBondContact O-N 3.11Å; L576-L580 PolarHBondContact O-N 2.64Å; L576-L580 VanDerWaalsContact O-N 3.11Å; L576-E601 HydrophobicContact CD1-CB 4.32Å; L576-E601 HydrophobicContact CD1-CG 4.2Å; L576-E601 WeakPolarHBondContact CD1-OE2 3.34Å; L576-L603 HydrophobicContact CB-CD1 3.78Å; L576-L603 HydrophobicContact CB-CD2 4.28Å; L576-L603 HydrophobicContact CD1-CD1 4.43Å; L576-L603 HydrophobicContact CD1-CD2 4.27Å; L576-L603 HydrophobicContact CD2-CD1 4.06Å; L576-L603 HydrophobicContact CG-CD1 4.27Å
577	Y	95.8	Very high	92.2	Very high	5 Å²	5	48 Å²	48	2%	0.02	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-43.5	171.3	-69.6	-54	0	0	0	112.4	H544 F545 L546 L573 L574 Y579 L580 H581 Y614 C616	H544-Y577 WeakPolarHBondContact CB-OH 3.43Å; H544-Y577 AromaticContact ND1-CE2 3.51Å; H544-Y577 AromaticContact ND1-CZ 3.57Å; H544-Y577 PolarHBondContact ND1-OH 3.35Å; H544-Y577 PolarHBondContact O-OH 3.32Å; F545-Y577 PolarHBondContact N-OH 3.29Å; L546-Y577 HydrophobicContact CD1-CD1 3.97Å; L546-Y577 HydrophobicContact CD1-CD2 3.67Å; L546-Y577 HydrophobicContact CD1-CE1 4.37Å; L546-Y577 HydrophobicContact CD1-CE2 4.08Å; L546-Y577 HydrophobicContact CD1-CG 3.62Å; L546-Y577 HydrophobicContact CG-CD1 4.36Å; L546-Y577 HydrophobicContact CG-CD2 4.16Å; L546-Y577 HydrophobicContact CG-CE1 4.26Å; L546-Y577 HydrophobicContact CG-CE2 4.03Å; L546-Y577 HydrophobicContact CG-CG 4.33Å; L573-Y577 HydrophobicContact CD1-CD2 4.3Å; L573-Y577 HydrophobicContact CD1-CE2 3.62Å; L573-Y577 HydrophobicContact CD2-CE2 4.27Å; L573-Y577 HydrophobicContact CG-CD2 4.2Å; L573-Y577 HydrophobicContact CG-CE2 3.7Å; L573-Y577 WeakPolarHBondContact O-CD2 3.42Å; L573-Y577 PolarHBondContact O-N 2.99Å; L573-Y577 VanDerWaalsContact O-N 3.12Å; L574-Y577 CarbonylContact O-C 3.59Å; L574-Y577 WeakPolarHBondContact O-CA 3.41Å; L574-Y577 WeakPolarHBondContact O-CB 3.37Å; L574-Y577 PolarHBondContact O-N 2.87Å; Y577-Y579 VanDerWaalsContact C-N 3.3Å; Y577-Y579 PolarHBondContact O-N 3.17Å; Y577-L580 PolarHBondContact O-N 2.8Å; Y577-L580 VanDerWaalsContact O-N 3.13Å; Y577-H581 VanDerWaalsContact O-CB 3.27Å; Y577-H581 WeakPolarHBondContact O-CB 3.32Å; Y577-H581 PolarHBondContact O-N 2.91Å; Y577-Y614 HydrophobicContact CD1-CG 4.43Å; Y577-C616 WeakPolarHBondContact OH-CB 3.49Å
578	Q	94.3	Very high	91.8	Very high	19 Å²	19	48.9 Å²	48.9	9%	0.089	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-41.8	171.5	-68	168.9	-4.9	0	0	111.5	Q324 L386 L574 L580 H581 S582	Q324-Q578 VanDerWaalsContact CG-OE1 3.25Å; L386-Q578 HydrophobicContact CD1-CG 4.04Å; L386-Q578 HydrophobicContact CD2-CG 3.93Å; L574-Q578 WeakPolarHBondContact O-CG 3.47Å; L574-Q578 PolarHBondContact O-N 2.88Å; Q578-L580 PolarHBondContact O-N 2.81Å; Q578-H581 PolarHBondContact O-N 2.9Å; Q578-S582 WeakPolarHBondContact O-CB 3.37Å; Q578-S582 PolarHBondContact O-N 3.04Å; Q578-S582 PolarHBondContact O-OG 2.57Å
579	Y	92.8	Very high	91.3	Very high	75 Å²	75	50.4 Å²	50.4	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-61.2	-41.5	174.6	174.4	-92.9	0	0	0	112.8	G575 L576 Y577 S582 R583 Y596	G575-Y579 WeakPolarHBondContact O-CB 3.39Å; G575-Y579 PolarHBondContact O-N 3.37Å; G575-Y579 VanDerWaalsContact O-N 3.14Å; L576-Y579 PolarHBondContact O-N 3.11Å; Y577-Y579 VanDerWaalsContact C-N 3.3Å; Y577-Y579 PolarHBondContact O-N 3.17Å; Y579-S582 PolarHBondContact O-OG 3.48Å; Y579-R583 WeakPolarHBondContact O-CG 3.35Å; Y579-R583 PolarHBondContact O-N 2.67Å; Y579-Y596 AromaticContact CE1-CD2 3.95Å; Y579-Y596 HydrophobicContact CE1-CD2 3.95Å; Y579-Y596 HydrophobicContact CE1-CE2 4.24Å; Y579-Y596 HydrophobicContact CE1-CG 4.25Å
580	L	94.1	Very high	90.7	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-43.7	175.9	-73.3	-177.9	0	0	0	112.4	L576 Y577 Q578 R583 A584 I594 L603 A605 Y614	L576-L580 PolarHBondContact O-N 2.64Å; L576-L580 VanDerWaalsContact O-N 3.11Å; Y577-L580 PolarHBondContact O-N 2.8Å; Y577-L580 VanDerWaalsContact O-N 3.13Å; Q578-L580 PolarHBondContact O-N 2.81Å; L580-R583 PolarHBondContact O-N 3.41Å; L580-A584 WeakPolarHBondContact O-CB 3.47Å; L580-A584 PolarHBondContact O-N 2.8Å; L580-I594 HydrophobicContact CD2-CB 4.24Å; L580-I594 HydrophobicContact CD2-CD1 4.42Å; L580-I594 HydrophobicContact CD2-CG2 3.84Å; L580-L603 HydrophobicContact CD1-CB 3.67Å; L580-L603 HydrophobicContact CD1-CD1 4.2Å; L580-L603 HydrophobicContact CD1-CG 4.47Å; L580-L603 HydrophobicContact CD2-CB 4.28Å; L580-L603 HydrophobicContact CD2-CD1 4.48Å; L580-L603 HydrophobicContact CG-CB 4.26Å; L580-L603 HydrophobicContact CG-CD1 4.13Å; L580-A605 HydrophobicContact CB-CB 4.18Å; L580-A605 HydrophobicContact CD1-CB 4.06Å; L580-A605 HydrophobicContact CD2-CB 4.29Å; L580-A605 HydrophobicContact CG-CB 4.41Å; L580-Y614 HydrophobicContact CB-CD1 3.84Å; L580-Y614 HydrophobicContact CB-CE1 4.19Å; L580-Y614 HydrophobicContact CD1-CD1 4.25Å
581	H	93.9	Very high	90.4	Very high	24 Å²	24	51.2 Å²	51.2	11%	0.111	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-52.3	-178.8	176.9	-93.6	0	0	0	111.3	E328 L386 Y577 Q578 R583 A584 H585 Y614	E328-H581 IonicContact OE1-CE1 2.77Å; E328-H581 IonicContact OE1-CG 2.76Å; E328-H581 IonicContact OE1-ND1 3.43Å; E328-H581 PolarHBondContact OE1-ND1 3.26Å; L386-H581 HydrophobicContact CD1-CB 4.06Å; L386-H581 WeakPolarHBondContact CD1-ND1 3.44Å; L386-H581 HydrophobicContact CG-CB 4.46Å; L386-H581 PolarHBondContact O-NE2 2.89Å; Y577-H581 VanDerWaalsContact O-CB 3.27Å; Y577-H581 WeakPolarHBondContact O-CB 3.32Å; Y577-H581 PolarHBondContact O-N 2.91Å; Q578-H581 PolarHBondContact O-N 2.9Å; H581-R583 PolarHBondContact O-N 3.46Å; H581-R583 VanDerWaalsContact O-N 3.12Å; H581-A584 PolarHBondContact O-N 2.85Å; H581-H585 AromaticContact CD2-CD2 3.31Å; H581-H585 PolarHBondContact CD2-CD2 3.23Å; H581-H585 AromaticContact CD2-NE2 3.63Å; H581-H585 AromaticContact CE1-CD2 3.91Å; H581-H585 AromaticContact CG-CD2 3.92Å; H581-H585 AromaticContact NE2-CD2 3.28Å; H581-H585 PolarHBondContact NE2-CD2 3.11Å; H581-H585 VanDerWaalsContact NE2-CD2 3.28Å; H581-H585 AromaticContact NE2-NE2 3.61Å; H581-H585 PolarHBondContact O-CD2 2.87Å; H581-H585 PolarHBondContact O-N 2.88Å; H581-Y614 HydrophobicContact CB-CE1 4.36Å
582	S	91.9	Very high	90.2	Very high	19 Å²	19	54.8 Å²	54.8	13%	0.133	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-21.8	174.5	60.2	0	0	0	0	114.9	E328 Q578 Y579 N586	E328-S582 PolarHBondContact OE1-N 2.94Å; Q578-S582 WeakPolarHBondContact O-CB 3.37Å; Q578-S582 PolarHBondContact O-N 3.04Å; Q578-S582 PolarHBondContact O-OG 2.57Å; Y579-S582 PolarHBondContact O-OG 3.48Å; S582-N586 WeakPolarHBondContact O-CB 3.44Å
583	R	91.4	Very high	90.2	Very high	125 Å²	125	56.5 Å²	56.5	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-86.9	-33.9	173.5	-69.4	-73.3	-175.7	177.4	-1.2	112.8	Y579 L580 H581 I594	Y579-R583 WeakPolarHBondContact O-CG 3.35Å; Y579-R583 PolarHBondContact O-N 2.67Å; L580-R583 PolarHBondContact O-N 3.41Å; H581-R583 PolarHBondContact O-N 3.46Å; H581-R583 VanDerWaalsContact O-N 3.12Å; R583-I594 HydrophobicContact CB-CD1 3.57Å
584	A	91.9	Very high	90.1	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-72.9	-42.5	178	0	0	0	0	0	111.7	L580 H581 P590 L591 I594 V607	L580-A584 WeakPolarHBondContact O-CB 3.47Å; L580-A584 PolarHBondContact O-N 2.8Å; H581-A584 PolarHBondContact O-N 2.85Å; A584-P590 VanDerWaalsContact O-CA 3.27Å; A584-P590 WeakPolarHBondContact O-CA 3.44Å; A584-P590 WeakPolarHBondContact O-CB 3.39Å; A584-L591 PolarHBondContact O-N 2.99Å; A584-I594 HydrophobicContact CB-CD1 4.31Å; A584-V607 HydrophobicContact CB-CG2 3.82Å
585	H	89.3	Confident	90.1	Very high	44 Å²	44	59.6 Å²	59.6	20%	0.204	30%	0.304	C	S	.	.	S	Bend	trans	-97.3	13	-175.6	-64.4	-76.3	0	0	0	114.8	H581 A587 E612 Y614	H581-H585 AromaticContact CD2-CD2 3.31Å; H581-H585 PolarHBondContact CD2-CD2 3.23Å; H581-H585 AromaticContact CD2-NE2 3.63Å; H581-H585 AromaticContact CE1-CD2 3.91Å; H581-H585 AromaticContact CG-CD2 3.92Å; H581-H585 AromaticContact NE2-CD2 3.28Å; H581-H585 PolarHBondContact NE2-CD2 3.11Å; H581-H585 VanDerWaalsContact NE2-CD2 3.28Å; H581-H585 AromaticContact NE2-NE2 3.61Å; H581-H585 PolarHBondContact O-CD2 2.87Å; H581-H585 PolarHBondContact O-N 2.88Å; H585-A587 PolarHBondContact O-N 3.36Å; H585-A587 VanDerWaalsContact O-N 3.09Å; H585-E612 IonicContact CD2-OE2 2.92Å; H585-E612 IonicContact CE1-OE1 3.58Å; H585-E612 IonicContact CE1-OE2 2.86Å; H585-E612 PolarHBondContact CE1-OE2 3.08Å; H585-E612 IonicContact NE2-OE1 2.72Å; H585-E612 IonicContact NE2-OE2 3.2Å; H585-E612 PolarHBondContact NE2-OE2 2.93Å; H585-Y614 PolarHBondContact NE2-OH 3.19Å
586	N	86.9	Confident	90.1	Very high	64 Å²	64	63.3 Å²	63.3	34%	0.342	32%	0.317	S	S	.	.			trans	-67.4	110	175.8	-168	-58.5	0	0	0	110.6	S582 S588 R589 P590	S582-N586 WeakPolarHBondContact O-CB 3.44Å; N586-S588 PolarHBondContact O-N 2.92Å; N586-S588 WeakPolarHBondContact OD1-CB 3.4Å; N586-S588 PolarHBondContact OD1-N 2.94Å; N586-S588 PolarHBondContact OD1-OG 2.65Å; N586-R589 CarbonylContact O-C 3.6Å; N586-R589 PolarHBondContact O-N 2.96Å; N586-P590 WeakPolarHBondContact O-CA 3.36Å; N586-P590 WeakPolarHBondContact O-CD 3.28Å
587	A	79.6	Confident	90	Very high	70 Å²	70	66.8 Å²	66.8	58%	0.579	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-32	-177	0	0	0	0	0	114.4	Y154 H585 R589	Y154-A587 HydrophobicContact CE1-CB 3.99Å; H585-A587 PolarHBondContact O-N 3.36Å; H585-A587 VanDerWaalsContact O-N 3.09Å; A587-R589 VanDerWaalsContact C-N 3.35Å; A587-R589 PolarHBondContact O-N 3.22Å
588	S	83.1	Confident	89.8	Confident	110 Å²	110	67.2 Å²	67.2	77%	0.769	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.2	179.2	72.8	0	0	0	0	113.9	N586	N586-S588 PolarHBondContact O-N 2.92Å; N586-S588 WeakPolarHBondContact OD1-CB 3.4Å; N586-S588 PolarHBondContact OD1-N 2.94Å; N586-S588 PolarHBondContact OD1-OG 2.65Å
589	R	81.1	Confident	89.5	Confident	186 Å²	186	71.6 Å²	71.6	70%	0.702	38%	0.376	S	S	*	.	S	Bend	trans	-162.5	76.1	-179.3	-168.6	179.8	179	-179.8	0.2	111	N586 A587 L591	N586-R589 CarbonylContact O-C 3.6Å; N586-R589 PolarHBondContact O-N 2.96Å; A587-R589 VanDerWaalsContact C-N 3.35Å; A587-R589 PolarHBondContact O-N 3.22Å; R589-L591 HydrophobicContact CG-CD2 4.39Å; R589-L591 PolarHBondContact O-N 2.81Å
590	P	81.9	Confident	89.4	Confident	85 Å²	85	72 Å²	72	55%	0.552	38%	0.383	S	S	*	.			trans	-68.9	123.2	-178.7	26.5	-33.7	0	0	0	110.8	A584 N586	A584-P590 VanDerWaalsContact O-CA 3.27Å; A584-P590 WeakPolarHBondContact O-CA 3.44Å; A584-P590 WeakPolarHBondContact O-CB 3.39Å; N586-P590 WeakPolarHBondContact O-CA 3.36Å; N586-P590 WeakPolarHBondContact O-CD 3.28Å
591	L	85.8	Confident	89.4	Confident	61 Å²	61	72.4 Å²	72.4	32%	0.319	39%	0.385	S	S	.	.			trans	-97.5	105.3	180	-62.9	-179.6	0	0	0	110.6	A584 R589 T593 I594	A584-L591 PolarHBondContact O-N 2.99Å; R589-L591 HydrophobicContact CG-CD2 4.39Å; R589-L591 PolarHBondContact O-N 2.81Å; L591-T593 VanDerWaalsContact C-N 3.31Å; L591-T593 PolarHBondContact O-N 3.15Å; L591-I594 HydrophobicContact CB-CD1 3.94Å; L591-I594 HydrophobicContact CB-CG1 3.71Å; L591-I594 HydrophobicContact CD1-CD1 4.19Å; L591-I594 HydrophobicContact CD1-CG1 4.14Å
592	K	88.9	Confident	89.5	Confident	163 Å²	163	71.6 Å²	71.6	71%	0.709	38%	0.381	S	S	*	.	S	Bend	trans	-65	-30.8	179.6	-65.7	-175.6	179	-179.8	0	113.7	W606 V607	K592-W606 CarbonylContact O-C 3.57Å; K592-W606 WeakPolarHBondContact O-CA 3.48Å; K592-V607 PolarHBondContact O-N 2.82Å
593	T	93.1	Very high	89.7	Confident	91 Å²	91	70.7 Å²	70.7	56%	0.558	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	130.2	177	-51.5	0	0	0	0	109.6	L591 A605	L591-T593 VanDerWaalsContact C-N 3.31Å; L591-T593 PolarHBondContact O-N 3.15Å; T593-A605 CarbonylContact C-O 3.13Å; T593-A605 VanDerWaalsContact CA-O 3.3Å; T593-A605 WeakPolarHBondContact CA-O 3.47Å
594	I	94	Very high	89.9	Confident	22 Å²	22	64.9 Å²	64.9	11%	0.113	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.1	-179.9	-50.6	174.8	0	0	0	107.9	L580 R583 A584 L591 L604 A605	L580-I594 HydrophobicContact CD2-CB 4.24Å; L580-I594 HydrophobicContact CD2-CD1 4.42Å; L580-I594 HydrophobicContact CD2-CG2 3.84Å; R583-I594 HydrophobicContact CB-CD1 3.57Å; A584-I594 HydrophobicContact CB-CD1 4.31Å; L591-I594 HydrophobicContact CB-CD1 3.94Å; L591-I594 HydrophobicContact CB-CG1 3.71Å; L591-I594 HydrophobicContact CD1-CD1 4.19Å; L591-I594 HydrophobicContact CD1-CG1 4.14Å; I594-L604 CarbonylContact O-C 3.59Å; I594-L604 WeakPolarHBondContact O-CA 3.28Å; I594-A605 HydrophobicContact CB-CB 4.02Å; I594-A605 HydrophobicContact CD1-CB 4.26Å; I594-A605 HydrophobicContact CG1-CB 4.27Å; I594-A605 PolarHBondContact N-O 3.42Å; I594-A605 PolarHBondContact O-N 3.22Å
595	Y	94	Very high	90.1	Very high	58 Å²	58	64.7 Å²	64.7	23%	0.227	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.6	162.6	-174.5	-97.7	0	0	0	107.8	T597 L603 L604 G621 K623 A626	Y595-T597 WeakPolarHBondContact CE1-OG1 3.41Å; Y595-L603 WeakPolarHBondContact CA-O 3.45Å; Y595-L604 HydrophobicContact CD2-CB 4.28Å; Y595-L604 HydrophobicContact CD2-CD1 4.12Å; Y595-L604 HydrophobicContact CD2-CG 4.47Å; Y595-G621 PolarHBondContact OH-O 3.13Å; Y595-G621 VanDerWaalsContact OH-O 3.04Å; Y595-K623 HydrophobicContact CD1-CB 4.09Å; Y595-K623 HydrophobicContact CD1-CD 4.18Å; Y595-K623 HydrophobicContact CD1-CG 3.98Å; Y595-K623 HydrophobicContact CD2-CG 4.31Å; Y595-K623 HydrophobicContact CE1-CB 3.77Å; Y595-K623 HydrophobicContact CE1-CG 4.18Å; Y595-K623 HydrophobicContact CE2-CB 4.33Å; Y595-K623 HydrophobicContact CE2-CG 4.48Å; Y595-K623 HydrophobicContact CG-CD 4.44Å; Y595-K623 HydrophobicContact CG-CG 4.04Å; Y595-K623 PolarHBondContact OH-N 2.89Å; Y595-A626 HydrophobicContact CD2-CB 4.36Å; Y595-A626 HydrophobicContact CE2-CB 3.72Å
596	Y	93.6	Very high	90.4	Very high	82 Å²	82	66.1 Å²	66.1	32%	0.322	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.2	-177.4	171	-92.1	0	0	0	109.3	Y579 N602 L603	Y579-Y596 AromaticContact CE1-CD2 3.95Å; Y579-Y596 HydrophobicContact CE1-CD2 3.95Å; Y579-Y596 HydrophobicContact CE1-CE2 4.24Å; Y579-Y596 HydrophobicContact CE1-CG 4.25Å; Y596-N602 WeakPolarHBondContact O-CA 3.47Å; Y596-L603 HydrophobicContact CD1-CB 4.42Å; Y596-L603 HydrophobicContact CD1-CD1 3.77Å; Y596-L603 HydrophobicContact CD1-CG 4.1Å; Y596-L603 HydrophobicContact CE1-CD1 4.38Å; Y596-L603 PolarHBondContact N-O 2.9Å; Y596-L603 PolarHBondContact O-N 3.14Å
597	T	93.2	Very high	90.7	Very high	96 Å²	96	63.9 Å²	63.9	59%	0.589	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.1	175.2	-64.5	0	0	0	0	108.6	Y595 N602	Y595-T597 WeakPolarHBondContact CE1-OG1 3.41Å; T597-N602 VanDerWaalsContact CA-OD1 3.3Å; T597-N602 WeakPolarHBondContact CA-OD1 3.36Å; T597-N602 WeakPolarHBondContact CG2-OD1 3.09Å
598	G	90.6	Very high	91.4	Very high	13 Å²	13	62.4 Å²	62.4	13%	0.134	33%	0.328	C	S	.	.			trans	-101.7	175.4	174	0	0	0	0	0	112	E601	G598-E601 WeakPolarHBondContact CA-O 3.49Å; G598-E601 PolarHBondContact N-O 3.24Å
599	P	88.7	Confident	91.7	Very high	112 Å²	112	60.8 Å²	60.8	73%	0.727	33%	0.328	S	S	*	.	S	Bend	trans	-71.3	-36.2	175.4	28.8	-33.7	0	0	0	112.4
600	N	90.9	Very high	92.3	Very high	84 Å²	84	54.9 Å²	54.9	45%	0.449	32%	0.32	S	S	.	.	S	Bend	trans	-109.2	-22.5	-171.4	-64.5	14.2	0	0	0	112.9	R543 P619	R543-N600 PolarHBondContact NH1-O 3.23Å; N600-P619 VanDerWaalsContact O-CD 3.32Å; N600-P619 WeakPolarHBondContact O-CD 3.36Å
601	E	94.4	Very high	92.9	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.037	30%	0.298	C	S	.	.			trans	-145.7	148.1	-178.1	-66.7	74.6	-151.4	0	0	110.9	R543 Y564 R572 L576 G598 L603 C616 Y617	R543-E601 IonicContact NH1-OE1 3.07Å; R543-E601 PolarHBondContact NH1-OE1 2.99Å; Y564-E601 WeakPolarHBondContact OH-CG 3.46Å; R572-E601 IonicContact CZ-OE1 3.71Å; R572-E601 VanDerWaalsContact CZ-OE1 3.27Å; R572-E601 IonicContact CZ-OE2 3.44Å; R572-E601 IonicContact NH1-OE1 3.27Å; R572-E601 PolarHBondContact NH1-OE1 3.18Å; R572-E601 IonicContact NH1-OE2 3.66Å; R572-E601 PolarHBondContact NH1-OE2 3.11Å; R572-E601 IonicContact NH2-OE1 3.99Å; R572-E601 PolarHBondContact NH2-OE1 2.81Å; L576-E601 HydrophobicContact CD1-CB 4.32Å; L576-E601 HydrophobicContact CD1-CG 4.2Å; L576-E601 WeakPolarHBondContact CD1-OE2 3.34Å; G598-E601 WeakPolarHBondContact CA-O 3.49Å; G598-E601 PolarHBondContact N-O 3.24Å; E601-L603 HydrophobicContact CB-CD2 4.11Å; E601-C616 WeakPolarHBondContact CG-SG 3.43Å; E601-Y617 WeakPolarHBondContact CA-O 3.27Å
602	N	94.9	Very high	93.4	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.032	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133	162.3	-68.7	-29.4	0	0	0	109.1	Y596 T597 Y617 P619 G621	Y596-N602 WeakPolarHBondContact O-CA 3.47Å; T597-N602 VanDerWaalsContact CA-OD1 3.3Å; T597-N602 WeakPolarHBondContact CA-OD1 3.36Å; T597-N602 WeakPolarHBondContact CG2-OD1 3.09Å; N602-Y617 PolarHBondContact N-O 3.39Å; N602-Y617 WeakPolarHBondContact O-CB 3.38Å; N602-Y617 PolarHBondContact O-N 3.3Å; N602-P619 PolarHBondContact ND2-O 3.21Å; N602-G621 PolarHBondContact ND2-O 3.49Å
603	L	95.6	Very high	93.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.4	-174	-51.6	174.5	0	0	0	111.2	L576 L580 Y595 Y596 E601 M615 C616	L576-L603 HydrophobicContact CB-CD1 3.78Å; L576-L603 HydrophobicContact CB-CD2 4.28Å; L576-L603 HydrophobicContact CD1-CD1 4.43Å; L576-L603 HydrophobicContact CD1-CD2 4.27Å; L576-L603 HydrophobicContact CD2-CD1 4.06Å; L576-L603 HydrophobicContact CG-CD1 4.27Å; L580-L603 HydrophobicContact CD1-CB 3.67Å; L580-L603 HydrophobicContact CD1-CD1 4.2Å; L580-L603 HydrophobicContact CD1-CG 4.47Å; L580-L603 HydrophobicContact CD2-CB 4.28Å; L580-L603 HydrophobicContact CD2-CD1 4.48Å; L580-L603 HydrophobicContact CG-CB 4.26Å; L580-L603 HydrophobicContact CG-CD1 4.13Å; Y595-L603 WeakPolarHBondContact CA-O 3.45Å; Y596-L603 HydrophobicContact CD1-CB 4.42Å; Y596-L603 HydrophobicContact CD1-CD1 3.77Å; Y596-L603 HydrophobicContact CD1-CG 4.1Å; Y596-L603 HydrophobicContact CE1-CD1 4.38Å; Y596-L603 PolarHBondContact N-O 2.9Å; Y596-L603 PolarHBondContact O-N 3.14Å; E601-L603 HydrophobicContact CB-CD2 4.11Å; L603-M615 WeakPolarHBondContact CA-O 3.36Å; L603-C616 HydrophobicContact CD2-CB 4.05Å
604	L	95.7	Very high	94	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.3	173.2	-169.6	148.5	0	0	0	109.9	I594 Y595 W606 Y614 M615 Y617 A626 I630	I594-L604 CarbonylContact O-C 3.59Å; I594-L604 WeakPolarHBondContact O-CA 3.28Å; Y595-L604 HydrophobicContact CD2-CB 4.28Å; Y595-L604 HydrophobicContact CD2-CD1 4.12Å; Y595-L604 HydrophobicContact CD2-CG 4.47Å; L604-W606 HydrophobicContact CD2-CB 4.4Å; L604-Y614 CarbonylContact O-C 3.53Å; L604-Y614 WeakPolarHBondContact O-CA 3.36Å; L604-M615 HydrophobicContact CB-CB 4.35Å; L604-M615 HydrophobicContact CD2-SD 4.46Å; L604-M615 PolarHBondContact N-O 3.29Å; L604-M615 PolarHBondContact O-N 3.09Å; L604-Y617 HydrophobicContact CB-CE2 4.06Å; L604-A626 HydrophobicContact CD1-CB 3.93Å; L604-I630 HydrophobicContact CD1-CD1 3.79Å; L604-I630 HydrophobicContact CD1-CG1 4.24Å; L604-I630 HydrophobicContact CD2-CD1 3.65Å; L604-I630 HydrophobicContact CD2-CG1 3.96Å; L604-I630 HydrophobicContact CG-CD1 4.38Å
605	A	96.3	Very high	94.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.7	168.5	0	0	0	0	0	110.1	L580 T593 I594 L613 Y614	L580-A605 HydrophobicContact CB-CB 4.18Å; L580-A605 HydrophobicContact CD1-CB 4.06Å; L580-A605 HydrophobicContact CD2-CB 4.29Å; L580-A605 HydrophobicContact CG-CB 4.41Å; T593-A605 CarbonylContact C-O 3.13Å; T593-A605 VanDerWaalsContact CA-O 3.3Å; T593-A605 WeakPolarHBondContact CA-O 3.47Å; I594-A605 HydrophobicContact CB-CB 4.02Å; I594-A605 HydrophobicContact CD1-CB 4.26Å; I594-A605 HydrophobicContact CG1-CB 4.27Å; I594-A605 PolarHBondContact N-O 3.42Å; I594-A605 PolarHBondContact O-N 3.22Å; A605-L613 CarbonylContact C-O 3.35Å; A605-L613 WeakPolarHBondContact CA-O 3.45Å; A605-Y614 HydrophobicContact CB-CD1 3.67Å; A605-Y614 HydrophobicContact CB-CE1 3.92Å
606	W	95.7	Very high	94.2	Very high	74 Å²	74	33.4 Å²	33.4	28%	0.28	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	113	171	-171.9	24.2	0	0	0	110.2	K592 L604 T608 F611 L613 I630 M634	K592-W606 CarbonylContact O-C 3.57Å; K592-W606 WeakPolarHBondContact O-CA 3.48Å; L604-W606 HydrophobicContact CD2-CB 4.4Å; W606-T608 HydrophobicContact CD2-CG2 4.41Å; W606-T608 HydrophobicContact CZ2-CG2 4.28Å; W606-F611 HydrophobicContact CD2-CE2 4.07Å; W606-F611 AromaticContact CD2-CZ 3.99Å; W606-F611 HydrophobicContact CD2-CZ 3.99Å; W606-F611 AromaticContact CE3-CE2 3.75Å; W606-F611 HydrophobicContact CE3-CE2 3.75Å; W606-F611 AromaticContact CE3-CZ 3.65Å; W606-F611 HydrophobicContact CE3-CZ 3.65Å; W606-F611 AromaticContact CH2-CZ 3.95Å; W606-F611 HydrophobicContact CH2-CZ 3.95Å; W606-F611 HydrophobicContact CZ2-CZ 4.24Å; W606-F611 HydrophobicContact CZ3-CE2 4.17Å; W606-F611 AromaticContact CZ3-CZ 3.62Å; W606-F611 HydrophobicContact CZ3-CZ 3.62Å; W606-L613 HydrophobicContact CE3-CD2 4.49Å; W606-L613 PolarHBondContact N-O 3Å; W606-L613 PolarHBondContact O-N 2.82Å; W606-I630 HydrophobicContact CE3-CG2 3.42Å; W606-I630 VanDerWaalsContact CE3-CG2 3.42Å; W606-I630 HydrophobicContact CH2-CG2 4.44Å; W606-I630 HydrophobicContact CZ3-CG2 3.32Å; W606-M634 HydrophobicContact CZ3-CG 4.35Å
607	V	94.9	Very high	94.2	Very high	16 Å²	16	29.6 Å²	29.6	10%	0.097	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.3	-178.2	174	0	0	0	0	109.4	A584 K592 E612 Y614	A584-V607 HydrophobicContact CB-CG2 3.82Å; K592-V607 PolarHBondContact O-N 2.82Å; V607-E612 HydrophobicContact CG1-CG 4.26Å; V607-E612 HydrophobicContact CG2-CB 4.27Å; V607-E612 HydrophobicContact CG2-CG 4.32Å; V607-Y614 HydrophobicContact CG2-CE1 4.44Å
608	T	93.4	Very high	94.2	Very high	39 Å²	39	25.8 Å²	25.8	24%	0.239	17%	0.17	C	C	.	.			trans	-125.7	-177.7	179.2	72.4	0	0	0	0	110.8	K550 W606 A610 F611	K550-T608 WeakPolarHBondContact CE-O 3.27Å; K550-T608 PolarHBondContact NZ-O 3.28Å; W606-T608 HydrophobicContact CD2-CG2 4.41Å; W606-T608 HydrophobicContact CZ2-CG2 4.28Å; T608-A610 VanDerWaalsContact C-N 3.32Å; T608-A610 PolarHBondContact OG1-N 3.2Å; T608-F611 HydrophobicContact CG2-CD1 4.44Å; T608-F611 HydrophobicContact CG2-CE1 3.82Å; T608-F611 HydrophobicContact CG2-CE2 4.07Å; T608-F611 HydrophobicContact CG2-CZ 3.6Å; T608-F611 PolarHBondContact N-O 2.93Å; T608-F611 VanDerWaalsContact OG1-CD1 3.25Å; T608-F611 WeakPolarHBondContact OG1-CD1 3.17Å; T608-F611 WeakPolarHBondContact OG1-CE1 3.45Å; T608-F611 PolarHBondContact OG1-N 3.16Å; T608-F611 PolarHBondContact OG1-O 3.28Å; T608-F611 VanDerWaalsContact OG1-O 3.13Å
609	G	90.1	Very high	94.2	Very high	76 Å²	76	27.5 Å²	27.5	78%	0.784	18%	0.179	S	C	*	.	S	Bend	trans	-69.8	-27.4	170.9	0	0	0	0	0	113.5	K550	K550-G609 WeakPolarHBondContact CD-O 3.44Å
610	A	91.9	Very high	94.2	Very high	63 Å²	63	29 Å²	29	52%	0.521	18%	0.18	S	C	.	.	S	Bend	trans	-98.4	-30.6	-174.5	0	0	0	0	0	113.9	K550 T608	K550-A610 WeakPolarHBondContact CB-O 3.33Å; K550-A610 PolarHBondContact N-O 2.88Å; T608-A610 VanDerWaalsContact C-N 3.32Å; T608-A610 PolarHBondContact OG1-N 3.2Å
611	F	94.9	Very high	93.9	Very high	22 Å²	22	25 Å²	25	10%	0.096	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	165.9	-176.1	67.8	-93.3	0	0	0	113	Y547 K548 W606 T608 L613 M634	Y547-F611 HydrophobicContact CD2-CB 4.49Å; Y547-F611 HydrophobicContact CD2-CD2 4.21Å; Y547-F611 HydrophobicContact CE2-CB 3.61Å; Y547-F611 HydrophobicContact CE2-CD1 4.49Å; Y547-F611 AromaticContact CE2-CD2 3.65Å; Y547-F611 HydrophobicContact CE2-CD2 3.65Å; Y547-F611 HydrophobicContact CE2-CE2 4.48Å; Y547-F611 AromaticContact CE2-CG 3.67Å; Y547-F611 HydrophobicContact CE2-CG 3.67Å; K548-F611 CarbonylContact O-C 3.53Å; K548-F611 WeakPolarHBondContact O-CA 3.43Å; K548-F611 VanDerWaalsContact O-CB 3.3Å; K548-F611 WeakPolarHBondContact O-CB 3.5Å; W606-F611 HydrophobicContact CD2-CE2 4.07Å; W606-F611 AromaticContact CD2-CZ 3.99Å; W606-F611 HydrophobicContact CD2-CZ 3.99Å; W606-F611 AromaticContact CE3-CE2 3.75Å; W606-F611 HydrophobicContact CE3-CE2 3.75Å; W606-F611 AromaticContact CE3-CZ 3.65Å; W606-F611 HydrophobicContact CE3-CZ 3.65Å; W606-F611 AromaticContact CH2-CZ 3.95Å; W606-F611 HydrophobicContact CH2-CZ 3.95Å; W606-F611 HydrophobicContact CZ2-CZ 4.24Å; W606-F611 HydrophobicContact CZ3-CE2 4.17Å; W606-F611 AromaticContact CZ3-CZ 3.62Å; W606-F611 HydrophobicContact CZ3-CZ 3.62Å; T608-F611 HydrophobicContact CG2-CD1 4.44Å; T608-F611 HydrophobicContact CG2-CE1 3.82Å; T608-F611 HydrophobicContact CG2-CE2 4.07Å; T608-F611 HydrophobicContact CG2-CZ 3.6Å; T608-F611 PolarHBondContact N-O 2.93Å; T608-F611 VanDerWaalsContact OG1-CD1 3.25Å; T608-F611 WeakPolarHBondContact OG1-CD1 3.17Å; T608-F611 WeakPolarHBondContact OG1-CE1 3.45Å; T608-F611 PolarHBondContact OG1-N 3.16Å; T608-F611 PolarHBondContact OG1-O 3.28Å; T608-F611 VanDerWaalsContact OG1-O 3.13Å; F611-L613 HydrophobicContact CD2-CB 4.15Å; F611-L613 HydrophobicContact CE2-CB 4.11Å; F611-M634 HydrophobicContact CD1-CE 4.27Å; F611-M634 HydrophobicContact CE1-CE 4.06Å; F611-M634 HydrophobicContact CE2-CE 4.45Å; F611-M634 HydrophobicContact CE2-SD 4.2Å; F611-M634 HydrophobicContact CZ-CE 4.16Å; F611-M634 HydrophobicContact CZ-SD 4.3Å
612	E	96.1	Very high	93.5	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.6	166.9	-49.5	-175.6	-146.6	0	0	109.2	M387 Y547 K548 K550 H585 V607 Y614	M387-E612 HydrophobicContact CE-CB 4.2Å; Y547-E612 CarbonylContact C-O 3.58Å; Y547-E612 WeakPolarHBondContact CA-O 3.24Å; K548-E612 HydrophobicContact CB-CB 4.35Å; K548-E612 HydrophobicContact CD-CG 4.27Å; K548-E612 PolarHBondContact N-O 2.88Å; K548-E612 IonicContact NZ-OE1 3.23Å; K548-E612 PolarHBondContact NZ-OE1 3.18Å; K548-E612 PolarHBondContact O-N 3.35Å; K550-E612 HydrophobicContact CD-CG 4.48Å; K550-E612 WeakPolarHBondContact CE-OE1 3.49Å; K550-E612 IonicContact NZ-OE1 3.14Å; H585-E612 IonicContact CD2-OE2 2.92Å; H585-E612 IonicContact CE1-OE1 3.58Å; H585-E612 IonicContact CE1-OE2 2.86Å; H585-E612 PolarHBondContact CE1-OE2 3.08Å; H585-E612 IonicContact NE2-OE1 2.72Å; H585-E612 IonicContact NE2-OE2 3.2Å; H585-E612 PolarHBondContact NE2-OE2 2.93Å; V607-E612 HydrophobicContact CG1-CG 4.26Å; V607-E612 HydrophobicContact CG2-CB 4.27Å; V607-E612 HydrophobicContact CG2-CG 4.32Å; E612-Y614 HydrophobicContact CB-CE2 3.8Å; E612-Y614 PolarHBondContact OE2-OH 3.3Å
613	L	97.1	Very high	93.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	126	179.4	174.2	61.2	0	0	0	109.8	F545 L546 Y547 A605 W606 F611 M615 I630 L633 M634	F545-L613 HydrophobicContact CD2-CD1 4.34Å; L546-L613 WeakPolarHBondContact O-CA 3.45Å; Y547-L613 HydrophobicContact CD2-CB 4.3Å; Y547-L613 HydrophobicContact CD2-CD1 4.28Å; A605-L613 CarbonylContact C-O 3.35Å; A605-L613 WeakPolarHBondContact CA-O 3.45Å; W606-L613 HydrophobicContact CE3-CD2 4.49Å; W606-L613 PolarHBondContact N-O 3Å; W606-L613 PolarHBondContact O-N 2.82Å; F611-L613 HydrophobicContact CD2-CB 4.15Å; F611-L613 HydrophobicContact CE2-CB 4.11Å; L613-M615 HydrophobicContact CD1-CG 3.77Å; L613-M615 HydrophobicContact CD1-SD 4.29Å; L613-M615 HydrophobicContact CD2-CG 4.27Å; L613-M615 HydrophobicContact CD2-SD 3.86Å; L613-M615 HydrophobicContact CG-CG 3.87Å; L613-M615 HydrophobicContact CG-SD 4.15Å; L613-I630 HydrophobicContact CD2-CG2 4.29Å; L613-L633 HydrophobicContact CD1-CD2 3.55Å; L613-L633 HydrophobicContact CD2-CD2 4.27Å; L613-M634 HydrophobicContact CD2-SD 4.28Å
614	Y	97.4	Very high	93	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.5	173.2	-52.5	-89.5	0	0	0	108.7	M387 F545 L546 Y577 L580 H581 H585 L604 A605 V607 E612	M387-Y614 HydrophobicContact CE-CD2 3.91Å; M387-Y614 HydrophobicContact CE-CE2 3.69Å; M387-Y614 HydrophobicContact SD-CD2 3.92Å; M387-Y614 HydrophobicContact SD-CE2 3.76Å; F545-Y614 CarbonylContact C-O 3.59Å; F545-Y614 WeakPolarHBondContact CA-O 3.39Å; F545-Y614 WeakPolarHBondContact CB-O 3.23Å; L546-Y614 HydrophobicContact CB-CD2 4.37Å; L546-Y614 PolarHBondContact N-O 3.4Å; L546-Y614 PolarHBondContact O-N 3.45Å; Y577-Y614 HydrophobicContact CD1-CG 4.43Å; L580-Y614 HydrophobicContact CB-CD1 3.84Å; L580-Y614 HydrophobicContact CB-CE1 4.19Å; L580-Y614 HydrophobicContact CD1-CD1 4.25Å; H581-Y614 HydrophobicContact CB-CE1 4.36Å; H585-Y614 PolarHBondContact NE2-OH 3.19Å; L604-Y614 CarbonylContact O-C 3.53Å; L604-Y614 WeakPolarHBondContact O-CA 3.36Å; A605-Y614 HydrophobicContact CB-CD1 3.67Å; A605-Y614 HydrophobicContact CB-CE1 3.92Å; V607-Y614 HydrophobicContact CG2-CE1 4.44Å; E612-Y614 HydrophobicContact CB-CE2 3.8Å; E612-Y614 PolarHBondContact OE2-OH 3.3Å
615	M	96.6	Very high	92.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142	-173.4	-54.5	-179.5	74.2	0	0	110.5	L542 F545 L603 L604 L613 Y617 I630 L633	L542-M615 HydrophobicContact CD1-CB 4.29Å; L542-M615 HydrophobicContact CD1-CE 3.73Å; L542-M615 HydrophobicContact CD2-CE 4.26Å; F545-M615 HydrophobicContact CB-CB 4.49Å; F545-M615 HydrophobicContact CB-CG 4.15Å; L603-M615 WeakPolarHBondContact CA-O 3.36Å; L604-M615 HydrophobicContact CB-CB 4.35Å; L604-M615 HydrophobicContact CD2-SD 4.46Å; L604-M615 PolarHBondContact N-O 3.29Å; L604-M615 PolarHBondContact O-N 3.09Å; L613-M615 HydrophobicContact CD1-CG 3.77Å; L613-M615 HydrophobicContact CD1-SD 4.29Å; L613-M615 HydrophobicContact CD2-CG 4.27Å; L613-M615 HydrophobicContact CD2-SD 3.86Å; L613-M615 HydrophobicContact CG-CG 3.87Å; L613-M615 HydrophobicContact CG-SD 4.15Å; M615-Y617 HydrophobicContact CB-CD2 4.36Å; M615-Y617 HydrophobicContact CB-CE2 3.63Å; M615-Y617 HydrophobicContact CE-CE1 4.4Å; M615-Y617 HydrophobicContact CE-CE2 4.44Å; M615-Y617 WeakPolarHBondContact CE-OH 3.4Å; M615-Y617 HydrophobicContact SD-CE2 4.46Å; M615-Y617 PolarHBondContact SD-OH 2.78Å; M615-Y617 VanDerWaalsContact SD-OH 3.33Å; M615-I630 HydrophobicContact SD-CG1 4.11Å; M615-L633 HydrophobicContact CE-CB 4.26Å; M615-L633 HydrophobicContact CE-CD2 3.59Å; M615-L633 HydrophobicContact CG-CD2 4.38Å; M615-L633 HydrophobicContact SD-CD2 4.06Å
616	C	96.2	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.3	180	-178.2	0	0	0	0	109.8	R543 H544 Y564 L573 Y577 E601 L603	R543-C616 PolarHBondContact N-O 3.11Å; H544-C616 HydrophobicContact CB-CB 4.37Å; H544-C616 PolarHBondContact N-O 2.77Å; H544-C616 PolarHBondContact O-N 2.88Å; Y564-C616 PolarHBondContact OH-SG 3.35Å; L573-C616 HydrophobicContact CD1-CB 4.01Å; Y577-C616 WeakPolarHBondContact OH-CB 3.49Å; E601-C616 WeakPolarHBondContact CG-SG 3.43Å; L603-C616 HydrophobicContact CD2-CB 4.05Å
617	Y	94.7	Very high	92	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	158.7	-175.6	-61.4	-93.1	0	0	0	111.9	D541 L542 E601 N602 L604 M615 A626 A629	D541-Y617 CarbonylContact O-C 3.49Å; D541-Y617 WeakPolarHBondContact O-CA 3.03Å; L542-Y617 HydrophobicContact CB-CD1 4.36Å; L542-Y617 HydrophobicContact CB-CE1 4.36Å; L542-Y617 HydrophobicContact CD1-CD1 4.23Å; L542-Y617 HydrophobicContact CD1-CE1 4.01Å; E601-Y617 WeakPolarHBondContact CA-O 3.27Å; N602-Y617 PolarHBondContact N-O 3.39Å; N602-Y617 WeakPolarHBondContact O-CB 3.38Å; N602-Y617 PolarHBondContact O-N 3.3Å; L604-Y617 HydrophobicContact CB-CE2 4.06Å; M615-Y617 HydrophobicContact CB-CD2 4.36Å; M615-Y617 HydrophobicContact CB-CE2 3.63Å; M615-Y617 HydrophobicContact CE-CE1 4.4Å; M615-Y617 HydrophobicContact CE-CE2 4.44Å; M615-Y617 WeakPolarHBondContact CE-OH 3.4Å; M615-Y617 HydrophobicContact SD-CE2 4.46Å; M615-Y617 PolarHBondContact SD-OH 2.78Å; M615-Y617 VanDerWaalsContact SD-OH 3.33Å; Y617-A626 HydrophobicContact CD2-CB 4.27Å; Y617-A626 HydrophobicContact CE1-CB 4.33Å; Y617-A626 HydrophobicContact CE2-CB 3.72Å; Y617-A626 PolarHBondContact OH-O 3.49Å; Y617-A629 HydrophobicContact CE1-CB 3.98Å; Y617-A629 VanDerWaalsContact OH-CB 3.31Å; Y617-A629 WeakPolarHBondContact OH-CB 3.35Å
618	S	93.1	Very high	91.8	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.119	27%	0.274	C	S	.	.			trans	-47.4	144.4	160.9	-175.1	0	0	0	0	111.3	D541 L620 G621	D541-S618 PolarHBondContact O-N 2.93Å; S618-L620 PolarHBondContact O-N 3.37Å; S618-L620 VanDerWaalsContact O-N 3.15Å; S618-G621 PolarHBondContact O-N 3.02Å
619	P	90.7	Very high	91.7	Very high	49 Å²	49	40.6 Å²	40.6	32%	0.318	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.1	178.3	28	-33.2	0	0	0	112.3	R543 N600 N602 G621	R543-P619 VanDerWaalsContact NH2-CD 3.31Å; N600-P619 VanDerWaalsContact O-CD 3.32Å; N600-P619 WeakPolarHBondContact O-CD 3.36Å; N602-P619 PolarHBondContact ND2-O 3.21Å; P619-G621 VanDerWaalsContact C-N 3.31Å
620	L	87.7	Confident	91.8	Very high	142 Å²	142	37.6 Å²	37.6	74%	0.743	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-19.8	171.2	-55.3	179.9	0	0	0	113.1	S618 T622	S618-L620 PolarHBondContact O-N 3.37Å; S618-L620 VanDerWaalsContact O-N 3.15Å; L620-T622 PolarHBondContact O-N 3.11Å
621	G	83.8	Confident	91.7	Very high	2 Å²	2	40 Å²	40	2%	0.021	23%	0.231	C	C	.	.			trans	-68.1	119.8	-177.3	0	0	0	0	0	111.9	Y595 N602 S618 P619	Y595-G621 PolarHBondContact OH-O 3.13Å; Y595-G621 VanDerWaalsContact OH-O 3.04Å; N602-G621 PolarHBondContact ND2-O 3.49Å; S618-G621 PolarHBondContact O-N 3.02Å; P619-G621 VanDerWaalsContact C-N 3.31Å
622	T	87.4	Confident	91.7	Very high	77 Å²	77	43.1 Å²	43.1	47%	0.472	25%	0.245	S	C	.	.			trans	-76.6	159.9	-179.4	72.6	0	0	0	0	113	L620 A624 S625 A626	L620-T622 PolarHBondContact O-N 3.11Å; T622-A624 PolarHBondContact O-N 3.46Å; T622-A624 PolarHBondContact OG1-N 3.06Å; T622-S625 PolarHBondContact N-OG 3.27Å; T622-S625 PolarHBondContact O-N 3.27Å; T622-S625 PolarHBondContact O-OG 2.99Å; T622-S625 PolarHBondContact OG1-N 3.07Å; T622-S625 PolarHBondContact OG1-OG 3.3Å; T622-A626 WeakPolarHBondContact O-CB 3.34Å; T622-A626 PolarHBondContact O-N 3.3Å
623	K	89.9	Confident	91.6	Very high	136 Å²	136	43 Å²	43	59%	0.591	24%	0.244	S	C	*	.	H	α-helix	trans	-57.1	-35.7	171.1	-173.7	179.3	177.5	-176.4	0	112.5	Y595 V627	Y595-K623 HydrophobicContact CD1-CB 4.09Å; Y595-K623 HydrophobicContact CD1-CD 4.18Å; Y595-K623 HydrophobicContact CD1-CG 3.98Å; Y595-K623 HydrophobicContact CD2-CG 4.31Å; Y595-K623 HydrophobicContact CE1-CB 3.77Å; Y595-K623 HydrophobicContact CE1-CG 4.18Å; Y595-K623 HydrophobicContact CE2-CB 4.33Å; Y595-K623 HydrophobicContact CE2-CG 4.48Å; Y595-K623 HydrophobicContact CG-CD 4.44Å; Y595-K623 HydrophobicContact CG-CG 4.04Å; Y595-K623 PolarHBondContact OH-N 2.89Å; K623-V627 WeakPolarHBondContact O-CG2 3.44Å; K623-V627 PolarHBondContact O-N 3.42Å
624	A	89.5	Confident	91.5	Very high	76 Å²	76	43.7 Å²	43.7	63%	0.628	25%	0.247	S	C	*	.	H	α-helix	trans	-70.1	-44.3	179.7	0	0	0	0	0	112.1	T622 V627 S628	T622-A624 PolarHBondContact O-N 3.46Å; T622-A624 PolarHBondContact OG1-N 3.06Å; A624-V627 PolarHBondContact O-N 3.32Å; A624-S628 PolarHBondContact O-N 2.69Å
625	S	88.7	Confident	91.4	Very high	45 Å²	45	51.3 Å²	51.3	32%	0.315	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-40.1	175	54.5	0	0	0	0	111.5	T622 V627 S628 A629	T622-S625 PolarHBondContact N-OG 3.27Å; T622-S625 PolarHBondContact O-N 3.27Å; T622-S625 PolarHBondContact O-OG 2.99Å; T622-S625 PolarHBondContact OG1-N 3.07Å; T622-S625 PolarHBondContact OG1-OG 3.3Å; S625-V627 PolarHBondContact O-N 3.43Å; S625-S628 PolarHBondContact O-N 3Å; S625-A629 VanDerWaalsContact O-CB 3.27Å; S625-A629 WeakPolarHBondContact O-CB 3.3Å; S625-A629 PolarHBondContact O-N 3.04Å
626	A	89.1	Confident	91.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-43.3	175	0	0	0	0	0	113.1	Y595 L604 Y617 T622 A629 I630	Y595-A626 HydrophobicContact CD2-CB 4.36Å; Y595-A626 HydrophobicContact CE2-CB 3.72Å; L604-A626 HydrophobicContact CD1-CB 3.93Å; Y617-A626 HydrophobicContact CD2-CB 4.27Å; Y617-A626 HydrophobicContact CE1-CB 4.33Å; Y617-A626 HydrophobicContact CE2-CB 3.72Å; Y617-A626 PolarHBondContact OH-O 3.49Å; T622-A626 WeakPolarHBondContact O-CB 3.34Å; T622-A626 PolarHBondContact O-N 3.3Å; A626-A629 WeakPolarHBondContact O-CB 3.45Å; A626-A629 PolarHBondContact O-N 3.32Å; A626-I630 PolarHBondContact O-N 3.11Å
627	V	88.9	Confident	91.3	Very high	69 Å²	69	52.9 Å²	52.9	42%	0.418	28%	0.282	S	S	.	.	H	α-helix	trans	-67.3	-37.3	176.1	171	0	0	0	0	111.9	K623 A624 S625 A629	K623-V627 WeakPolarHBondContact O-CG2 3.44Å; K623-V627 PolarHBondContact O-N 3.42Å; A624-V627 PolarHBondContact O-N 3.32Å; S625-V627 PolarHBondContact O-N 3.43Å; V627-A629 VanDerWaalsContact C-N 3.34Å
628	S	89.7	Confident	91.2	Very high	64 Å²	64	61.1 Å²	61.1	45%	0.448	31%	0.313	S	S	.	.	H	α-helix	trans	-66.3	-36.6	173.3	-174.6	0	0	0	0	112.5	A624 S625 I630 H631 K632	A624-S628 PolarHBondContact O-N 2.69Å; S625-S628 PolarHBondContact O-N 3Å; S628-I630 PolarHBondContact O-N 2.75Å; S628-H631 PolarHBondContact O-N 2.96Å; S628-K632 PolarHBondContact O-N 3.1Å
629	A	91.9	Very high	91.3	Very high	6 Å²	6	67.9 Å²	67.9	5%	0.05	34%	0.34	C	S	.	.	H	α-helix	trans	-64.9	-34.8	178.9	0	0	0	0	0	113.3	I539 Y617 S625 A626 V627 H631 K632 L633	I539-A629 HydrophobicContact CD1-CB 4.35Å; I539-A629 WeakPolarHBondContact CD1-O 3.4Å; I539-A629 HydrophobicContact CG2-CB 3.52Å; Y617-A629 HydrophobicContact CE1-CB 3.98Å; Y617-A629 VanDerWaalsContact OH-CB 3.31Å; Y617-A629 WeakPolarHBondContact OH-CB 3.35Å; S625-A629 VanDerWaalsContact O-CB 3.27Å; S625-A629 WeakPolarHBondContact O-CB 3.3Å; S625-A629 PolarHBondContact O-N 3.04Å; A626-A629 WeakPolarHBondContact O-CB 3.45Å; A626-A629 PolarHBondContact O-N 3.32Å; V627-A629 VanDerWaalsContact C-N 3.34Å; A629-H631 VanDerWaalsContact C-N 3.31Å; A629-H631 PolarHBondContact O-N 3.16Å; A629-K632 WeakPolarHBondContact O-CA 3.4Å; A629-K632 WeakPolarHBondContact O-CB 3.47Å; A629-K632 PolarHBondContact O-N 3.43Å; A629-L633 PolarHBondContact O-N 3.3Å
630	I	92.4	Very high	91.4	Very high	13 Å²	13	67 Å²	67	7%	0.067	33%	0.332	C	S	.	.	H	α-helix	trans	-50.6	-51.4	173.2	-64.2	168.7	0	0	0	110.9	L604 W606 L613 M615 A626 S628 K632 L633 M634	L604-I630 HydrophobicContact CD1-CD1 3.79Å; L604-I630 HydrophobicContact CD1-CG1 4.24Å; L604-I630 HydrophobicContact CD2-CD1 3.65Å; L604-I630 HydrophobicContact CD2-CG1 3.96Å; L604-I630 HydrophobicContact CG-CD1 4.38Å; W606-I630 HydrophobicContact CE3-CG2 3.42Å; W606-I630 VanDerWaalsContact CE3-CG2 3.42Å; W606-I630 HydrophobicContact CH2-CG2 4.44Å; W606-I630 HydrophobicContact CZ3-CG2 3.32Å; L613-I630 HydrophobicContact CD2-CG2 4.29Å; M615-I630 HydrophobicContact SD-CG1 4.11Å; A626-I630 PolarHBondContact O-N 3.11Å; S628-I630 PolarHBondContact O-N 2.75Å; I630-K632 PolarHBondContact O-N 3.41Å; I630-L633 PolarHBondContact O-N 2.92Å; I630-M634 HydrophobicContact CG2-CG 4.18Å; I630-M634 WeakPolarHBondContact O-CB 3.36Å; I630-M634 WeakPolarHBondContact O-CG 3.29Å; I630-M634 PolarHBondContact O-N 3.1Å
631	H	90.5	Very high	91.6	Very high	115 Å²	115	63.2 Å²	63.2	53%	0.532	31%	0.31	S	S	.	.	H	α-helix	trans	-69.2	-20.1	-178	-61.3	123.3	0	0	0	113.4	S628 A629 R635	S628-H631 PolarHBondContact O-N 2.96Å; A629-H631 VanDerWaalsContact C-N 3.31Å; A629-H631 PolarHBondContact O-N 3.16Å; H631-R635 WeakPolarHBondContact O-CG 3.45Å; H631-R635 PolarHBondContact O-NE 3.17Å
632	K	94.1	Very high	92	Very high	87 Å²	87	67.6 Å²	67.6	38%	0.378	33%	0.334	S	S	.	.	H	α-helix	trans	-76.6	-50	169.3	-66.4	-178.6	177.7	-174.9	0	110.3	I539 S628 A629 I630 M634 R635 W636	I539-K632 HydrophobicContact CD1-CB 3.95Å; I539-K632 HydrophobicContact CG1-CB 3.97Å; I539-K632 HydrophobicContact CG1-CD 4.4Å; S628-K632 PolarHBondContact O-N 3.1Å; A629-K632 WeakPolarHBondContact O-CA 3.4Å; A629-K632 WeakPolarHBondContact O-CB 3.47Å; A629-K632 PolarHBondContact O-N 3.43Å; I630-K632 PolarHBondContact O-N 3.41Å; K632-M634 PolarHBondContact O-N 3.01Å; K632-R635 PolarHBondContact O-N 3.18Å; K632-W636 PolarHBondContact O-N 3.34Å
633	L	95.3	Very high	92.3	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-47.3	-179.3	178	59.6	0	0	0	111.4	V537 I539 F545 L613 M615 A629 I630 R635 W636 I637	V537-L633 HydrophobicContact CG1-CD1 3.64Å; I539-L633 HydrophobicContact CD1-CB 3.68Å; F545-L633 HydrophobicContact CB-CD2 4.28Å; F545-L633 HydrophobicContact CD1-CD1 4.35Å; F545-L633 HydrophobicContact CD1-CD2 4.34Å; F545-L633 HydrophobicContact CD2-CD1 4.28Å; F545-L633 HydrophobicContact CD2-CD2 3.75Å; F545-L633 HydrophobicContact CE1-CD1 3.97Å; F545-L633 HydrophobicContact CE2-CD1 3.89Å; F545-L633 HydrophobicContact CE2-CD2 4.15Å; F545-L633 HydrophobicContact CG-CD2 3.85Å; F545-L633 HydrophobicContact CZ-CD1 3.71Å; L613-L633 HydrophobicContact CD1-CD2 3.55Å; L613-L633 HydrophobicContact CD2-CD2 4.27Å; M615-L633 HydrophobicContact CE-CB 4.26Å; M615-L633 HydrophobicContact CE-CD2 3.59Å; M615-L633 HydrophobicContact CG-CD2 4.38Å; M615-L633 HydrophobicContact SD-CD2 4.06Å; A629-L633 PolarHBondContact O-N 3.3Å; I630-L633 PolarHBondContact O-N 2.92Å; L633-R635 PolarHBondContact O-N 3.25Å; L633-W636 HydrophobicContact CD1-CE3 4.22Å; L633-W636 WeakPolarHBondContact O-CB 3.18Å; L633-W636 PolarHBondContact O-N 3.4Å; L633-I637 HydrophobicContact CD1-CD1 3.78Å; L633-I637 HydrophobicContact CD1-CG1 3.78Å; L633-I637 HydrophobicContact CD2-CD1 4.26Å; L633-I637 HydrophobicContact CG-CD1 3.72Å; L633-I637 HydrophobicContact CG-CG1 4.13Å; L633-I637 WeakPolarHBondContact O-CG1 3.46Å; L633-I637 PolarHBondContact O-N 3.46Å
634	M	94.2	Very high	92.4	Very high	15 Å²	15	60.6 Å²	60.6	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-30.8	179.1	-69	-55.8	-55.8	0	0	113.1	Y547 W606 F611 L613 I630 K632 R638	Y547-M634 HydrophobicContact CD2-SD 4.21Å; Y547-M634 HydrophobicContact CE2-CE 3.76Å; Y547-M634 HydrophobicContact CE2-SD 3.75Å; W606-M634 HydrophobicContact CZ3-CG 4.35Å; F611-M634 HydrophobicContact CD1-CE 4.27Å; F611-M634 HydrophobicContact CE1-CE 4.06Å; F611-M634 HydrophobicContact CE2-CE 4.45Å; F611-M634 HydrophobicContact CE2-SD 4.2Å; F611-M634 HydrophobicContact CZ-CE 4.16Å; F611-M634 HydrophobicContact CZ-SD 4.3Å; L613-M634 HydrophobicContact CD2-SD 4.28Å; I630-M634 HydrophobicContact CG2-CG 4.18Å; I630-M634 WeakPolarHBondContact O-CB 3.36Å; I630-M634 WeakPolarHBondContact O-CG 3.29Å; I630-M634 PolarHBondContact O-N 3.1Å; K632-M634 PolarHBondContact O-N 3.01Å; M634-R638 WeakPolarHBondContact O-CB 3.34Å; M634-R638 WeakPolarHBondContact O-CD 3.32Å; M634-R638 VanDerWaalsContact O-CG 3.24Å; M634-R638 WeakPolarHBondContact O-CG 3.44Å; M634-R638 PolarHBondContact O-N 2.99Å
635	R	94.2	Very high	92.6	Very high	163 Å²	163	57.1 Å²	57.1	62%	0.615	27%	0.266	S	S	*	.	H	α-helix	trans	-74.6	-38	173	-76.7	-177.6	-68.2	147.5	-4.6	112.2	H631 K632 L633 K639	H631-R635 WeakPolarHBondContact O-CG 3.45Å; H631-R635 PolarHBondContact O-NE 3.17Å; K632-R635 PolarHBondContact O-N 3.18Å; L633-R635 PolarHBondContact O-N 3.25Å; R635-K639 WeakPolarHBondContact O-CB 3.47Å; R635-K639 PolarHBondContact O-N 2.98Å; R635-K639 VanDerWaalsContact O-N 3.11Å
636	W	95.9	Very high	92.7	Very high	32 Å²	32	55.7 Å²	55.7	12%	0.121	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-47.5	174.8	-176.9	95.1	0	0	0	111.4	Y532 Q536 V537 F545 K632 L633 R638 K639 E640 L644	Y532-W636 AromaticContact CD2-CH2 3.58Å; Y532-W636 HydrophobicContact CD2-CH2 3.58Å; Y532-W636 HydrophobicContact CD2-CZ2 4.18Å; Y532-W636 HydrophobicContact CD2-CZ3 4.47Å; Y532-W636 HydrophobicContact CE1-CH2 4.48Å; Y532-W636 AromaticContact CE2-CH2 3.43Å; Y532-W636 HydrophobicContact CE2-CH2 3.43Å; Y532-W636 VanDerWaalsContact CE2-CH2 3.43Å; Y532-W636 HydrophobicContact CE2-CZ2 4.4Å; Y532-W636 AromaticContact CE2-CZ3 3.89Å; Y532-W636 HydrophobicContact CE2-CZ3 3.89Å; Y532-W636 HydrophobicContact CG-CH2 4.17Å; Y532-W636 AromaticContact CZ-CH2 3.92Å; Q536-W636 PolarHBondContact O-NE1 2.94Å; V537-W636 HydrophobicContact CG1-CB 4.38Å; V537-W636 HydrophobicContact CG1-CD2 4.21Å; V537-W636 HydrophobicContact CG1-CE3 4.49Å; V537-W636 HydrophobicContact CG1-CG 4.14Å; V537-W636 HydrophobicContact CG2-CD2 4.27Å; V537-W636 HydrophobicContact CG2-CE3 4.37Å; V537-W636 HydrophobicContact CG2-CH2 4.37Å; V537-W636 HydrophobicContact CG2-CZ2 4.23Å; V537-W636 HydrophobicContact CG2-CZ3 4.43Å; F545-W636 HydrophobicContact CZ-CZ3 4.29Å; K632-W636 PolarHBondContact O-N 3.34Å; L633-W636 HydrophobicContact CD1-CE3 4.22Å; L633-W636 WeakPolarHBondContact O-CB 3.18Å; L633-W636 PolarHBondContact O-N 3.4Å; W636-R638 VanDerWaalsContact C-N 3.34Å; W636-R638 PolarHBondContact O-N 3.14Å; W636-K639 WeakPolarHBondContact O-CB 3.42Å; W636-K639 PolarHBondContact O-N 3.2Å; W636-E640 HydrophobicContact CD2-CG 4.23Å; W636-E640 HydrophobicContact CH2-CG 4.46Å; W636-E640 HydrophobicContact CZ2-CG 4.05Å; W636-E640 PolarHBondContact O-N 3.28Å; W636-L644 HydrophobicContact CH2-CD1 4Å; W636-L644 HydrophobicContact CZ3-CD1 3.66Å
637	I	94.9	Very high	92.5	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-44.4	177.7	-67.4	178.2	0	0	0	111.1	F545 Y547 L633 K639 E640 E641 F645	F545-I637 HydrophobicContact CE2-CD1 4.1Å; Y547-I637 HydrophobicContact CD1-CD1 4.04Å; Y547-I637 HydrophobicContact CD1-CG2 4.13Å; Y547-I637 HydrophobicContact CD2-CD1 3.67Å; Y547-I637 HydrophobicContact CE1-CG2 3.87Å; Y547-I637 HydrophobicContact CE2-CD1 4.24Å; Y547-I637 HydrophobicContact CG-CD1 3.54Å; L633-I637 HydrophobicContact CD1-CD1 3.78Å; L633-I637 HydrophobicContact CD1-CG1 3.78Å; L633-I637 HydrophobicContact CD2-CD1 4.26Å; L633-I637 HydrophobicContact CG-CD1 3.72Å; L633-I637 HydrophobicContact CG-CG1 4.13Å; L633-I637 WeakPolarHBondContact O-CG1 3.46Å; L633-I637 PolarHBondContact O-N 3.46Å; I637-K639 VanDerWaalsContact C-N 3.31Å; I637-K639 PolarHBondContact O-N 3.42Å; I637-E640 CarbonylContact O-C 3.55Å; I637-E640 PolarHBondContact O-N 3.08Å; I637-E641 VanDerWaalsContact O-CA 3.29Å; I637-E641 WeakPolarHBondContact O-CA 3.45Å; I637-E641 WeakPolarHBondContact O-CB 3.38Å; I637-E641 PolarHBondContact O-N 3.25Å; I637-F645 HydrophobicContact CG2-CE2 4.01Å
638	R	93.3	Very high	92.1	Very high	175 Å²	175	61.5 Å²	61.5	66%	0.66	29%	0.287	S	S	*	.	H	α-helix	trans	-63.9	-32.4	175.6	-75.3	173.6	-177.4	-175.6	0	113.5	M634 W636	M634-R638 WeakPolarHBondContact O-CB 3.34Å; M634-R638 WeakPolarHBondContact O-CD 3.32Å; M634-R638 VanDerWaalsContact O-CG 3.24Å; M634-R638 WeakPolarHBondContact O-CG 3.44Å; M634-R638 PolarHBondContact O-N 2.99Å; W636-R638 VanDerWaalsContact C-N 3.34Å; W636-R638 PolarHBondContact O-N 3.14Å
639	K	94.4	Very high	91.7	Very high	158 Å²	158	59.4 Å²	59.4	69%	0.687	27%	0.272	S	S	*	.	H	α-helix	trans	-73.1	-37	177.3	-172.4	-161	166.3	-132.1	0	111.6	R635 W636 I637	R635-K639 WeakPolarHBondContact O-CB 3.47Å; R635-K639 PolarHBondContact O-N 2.98Å; R635-K639 VanDerWaalsContact O-N 3.11Å; W636-K639 WeakPolarHBondContact O-CB 3.42Å; W636-K639 PolarHBondContact O-N 3.2Å; I637-K639 VanDerWaalsContact C-N 3.31Å; I637-K639 PolarHBondContact O-N 3.42Å
640	E	93.8	Very high	91.5	Very high	31 Å²	31	61.6 Å²	61.6	15%	0.145	28%	0.282	C	S	.	.	S	Bend	trans	-97.5	15.6	-179.6	-54.9	-64.6	144.4	0	0	112	W636 I637 D642 R643 L644	W636-E640 HydrophobicContact CD2-CG 4.23Å; W636-E640 HydrophobicContact CH2-CG 4.46Å; W636-E640 HydrophobicContact CZ2-CG 4.05Å; W636-E640 PolarHBondContact O-N 3.28Å; I637-E640 CarbonylContact O-C 3.55Å; I637-E640 PolarHBondContact O-N 3.08Å; E640-D642 PolarHBondContact O-N 2.76Å; E640-R643 HydrophobicContact CB-CB 4.48Å; E640-R643 WeakPolarHBondContact O-CA 3.35Å; E640-R643 VanDerWaalsContact O-CB 3.29Å; E640-R643 WeakPolarHBondContact O-CB 3.46Å; E640-R643 PolarHBondContact O-N 2.82Å; E640-R643 WeakPolarHBondContact OE2-CD 3.39Å; E640-R643 IonicContact OE2-CZ 3.49Å; E640-R643 IonicContact OE2-NE 3.28Å; E640-R643 IonicContact OE2-NH1 2.7Å; E640-R643 PolarHBondContact OE2-NH1 3.1Å; E640-L644 HydrophobicContact CB-CD1 3.96Å; E640-L644 HydrophobicContact CB-CG 4.17Å; E640-L644 VanDerWaalsContact O-CG 3.32Å; E640-L644 WeakPolarHBondContact O-CG 3.22Å; E640-L644 PolarHBondContact O-N 3.18Å
641	E	92.1	Very high	91.5	Very high	62 Å²	62	63.4 Å²	63.4	29%	0.29	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-47.9	-167.8	-162.6	169.2	175.2	0	0	111.8	I637 R643 L644 F645 L647	I637-E641 VanDerWaalsContact O-CA 3.29Å; I637-E641 WeakPolarHBondContact O-CA 3.45Å; I637-E641 WeakPolarHBondContact O-CB 3.38Å; I637-E641 PolarHBondContact O-N 3.25Å; E641-R643 PolarHBondContact O-N 3.32Å; E641-L644 PolarHBondContact O-N 3.05Å; E641-L644 VanDerWaalsContact O-N 3.16Å; E641-F645 HydrophobicContact CG-CD2 3.84Å; E641-F645 HydrophobicContact CG-CE2 4.43Å; E641-F645 WeakPolarHBondContact O-CD2 3.35Å; E641-F645 PolarHBondContact O-N 3.01Å; E641-L647 HydrophobicContact CG-CD1 4.21Å; E641-L647 HydrophobicContact CG-CD2 4.13Å
642	D	91.4	Very high	91.2	Very high	95 Å²	95	60.8 Å²	60.8	51%	0.508	28%	0.28	S	S	.	.	H	α-helix	trans	-60.8	-28.9	174.1	-59.2	-51.3	0	0	0	112.8	A397 R400 E640 L647	A397-D642 HydrophobicContact CB-CB 4.09Å; R400-D642 PolarHBondContact NH1-O 2.87Å; E640-D642 PolarHBondContact O-N 2.76Å; D642-L647 WeakPolarHBondContact OD1-CD1 3.49Å
643	R	93.8	Very high	91.1	Very high	65 Å²	65	59.5 Å²	59.5	25%	0.245	28%	0.275	C	S	.	.	H	α-helix	trans	-74.7	-41.3	177.5	-164.3	179.9	102	-168.5	16	111	P394 L395 R400 E640 E641	P394-R643 WeakPolarHBondContact CA-O 3.36Å; L395-R643 PolarHBondContact N-O 3.3Å; L395-R643 VanDerWaalsContact N-O 3.1Å; L395-R643 WeakPolarHBondContact O-CA 3.5Å; R400-R643 PolarHBondContact NH1-O 3.42Å; R400-R643 PolarHBondContact NH2-O 2.87Å; E640-R643 HydrophobicContact CB-CB 4.48Å; E640-R643 WeakPolarHBondContact O-CA 3.35Å; E640-R643 VanDerWaalsContact O-CB 3.29Å; E640-R643 WeakPolarHBondContact O-CB 3.46Å; E640-R643 PolarHBondContact O-N 2.82Å; E640-R643 WeakPolarHBondContact OE2-CD 3.39Å; E640-R643 IonicContact OE2-CZ 3.49Å; E640-R643 IonicContact OE2-NE 3.28Å; E640-R643 IonicContact OE2-NH1 2.7Å; E640-R643 PolarHBondContact OE2-NH1 3.1Å; E641-R643 PolarHBondContact O-N 3.32Å
644	L	92.9	Very high	90.9	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-91.2	-23.7	-169.5	-62.1	177.4	0	0	0	114.2	C392 P394 Y532 T556 W636 E640 E641	C392-L644 WeakPolarHBondContact CB-O 3.36Å; P394-L644 HydrophobicContact CB-CD2 4.2Å; P394-L644 HydrophobicContact CG-CD2 4.28Å; Y532-L644 HydrophobicContact CD1-CD2 3.89Å; Y532-L644 HydrophobicContact CE1-CD2 3.51Å; T556-L644 HydrophobicContact CG2-CD1 4.28Å; W636-L644 HydrophobicContact CH2-CD1 4Å; W636-L644 HydrophobicContact CZ3-CD1 3.66Å; E640-L644 HydrophobicContact CB-CD1 3.96Å; E640-L644 HydrophobicContact CB-CG 4.17Å; E640-L644 VanDerWaalsContact O-CG 3.32Å; E640-L644 WeakPolarHBondContact O-CG 3.22Å; E640-L644 PolarHBondContact O-N 3.18Å; E641-L644 PolarHBondContact O-N 3.05Å; E641-L644 VanDerWaalsContact O-N 3.16Å
645	F	93.6	Very high	90.7	Very high	3 Å²	3	65.3 Å²	65.3	1%	0.013	30%	0.302	C	S	.	.			trans	-132.4	146.9	-173.9	-53.8	-73.1	0	0	0	113.8	R400 Y547 L554 T556 I637 E641 L647	R400-F645 VanDerWaalsContact NH1-C 3.33Å; R400-F645 PolarHBondContact NH1-O 3.11Å; Y547-F645 HydrophobicContact CD1-CE2 4.46Å; Y547-F645 AromaticContact CD1-CZ 3.72Å; Y547-F645 HydrophobicContact CD1-CZ 3.72Å; Y547-F645 HydrophobicContact CE1-CE2 4.24Å; Y547-F645 AromaticContact CE1-CZ 3.83Å; Y547-F645 HydrophobicContact CE1-CZ 3.83Å; L554-F645 HydrophobicContact CB-CD1 3.79Å; L554-F645 HydrophobicContact CB-CE1 4.38Å; L554-F645 HydrophobicContact CD1-CB 4.24Å; L554-F645 HydrophobicContact CD1-CD1 4.39Å; T556-F645 HydrophobicContact CG2-CE1 4.26Å; T556-F645 HydrophobicContact CG2-CZ 3.64Å; I637-F645 HydrophobicContact CG2-CE2 4.01Å; E641-F645 HydrophobicContact CG-CD2 3.84Å; E641-F645 HydrophobicContact CG-CE2 4.43Å; E641-F645 WeakPolarHBondContact O-CD2 3.35Å; E641-F645 PolarHBondContact O-N 3.01Å; F645-L647 HydrophobicContact CB-CD2 3.91Å; F645-L647 PolarHBondContact O-N 3.47Å
646	I	90.6	Very high	90.5	Very high	15 Å²	15	59.5 Å²	59.5	8%	0.077	28%	0.283	C	S	.	.			trans	-83.7	96	166	-56.6	168.6	0	0	0	107	L426 L554 P649	L426-I646 HydrophobicContact CD2-CD1 3.64Å; L426-I646 HydrophobicContact CG-CD1 3.69Å; L554-I646 HydrophobicContact CD1-CB 4.05Å; I646-P649 HydrophobicContact CG2-CB 4.04Å
647	L	84.3	Confident	90.1	Very high	71 Å²	71	61.3 Å²	61.3	37%	0.372	29%	0.293	S	S	.	.	S	Bend	trans	-75.4	-43.1	-178.4	-60.9	-178.1	0	0	0	112.4	E641 D642 F645	E641-L647 HydrophobicContact CG-CD1 4.21Å; E641-L647 HydrophobicContact CG-CD2 4.13Å; D642-L647 WeakPolarHBondContact OD1-CD1 3.49Å; F645-L647 HydrophobicContact CB-CD2 3.91Å; F645-L647 PolarHBondContact O-N 3.47Å
648	T	80.1	Confident	89.8	Confident	119 Å²	119	65.3 Å²	65.3	73%	0.73	31%	0.313	S	S	*	.	S	Bend	trans	-126.6	85.2	-177.6	-51.1	0	0	0	0	109.9	L650	T648-L650 PolarHBondContact O-N 3.02Å
649	P	81.5	Confident	89.5	Confident	21 Å²	21	57.4 Å²	57.4	14%	0.136	29%	0.288	C	S	.	.			trans	-65.3	127.4	173.9	26.9	-32.9	0	0	0	109.8	F148 I646	F148-P649 HydrophobicContact CZ-CG 4.07Å; I646-P649 HydrophobicContact CG2-CB 4.04Å
650	L	89.3	Confident	89.2	Confident	51 Å²	51	49.7 Å²	49.7	27%	0.267	26%	0.257	S	S	.	.			trans	-65.4	149.8	-178.7	-63.1	-179.1	0	0	0	111.5	A405 Q408 V430 R431 T648	A405-L650 HydrophobicContact CB-CD1 4.48Å; Q408-L650 HydrophobicContact CB-CD1 4.29Å; V430-L650 WeakPolarHBondContact CA-O 3.45Å; V430-L650 WeakPolarHBondContact CG1-O 3.4Å; V430-L650 HydrophobicContact CG2-CB 4.32Å; R431-L650 PolarHBondContact N-O 3.28Å; T648-L650 PolarHBondContact O-N 3.02Å
651	T	91.4	Very high	88.8	Confident	51 Å²	51	51.3 Å²	51.3	31%	0.313	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-110.2	152.9	172.4	59.4	0	0	0	0	111.7	Q408 R431	Q408-T651 PolarHBondContact NE2-O 2.76Å; R431-T651 HydrophobicContact CG-CG2 4.18Å; R431-T651 CarbonylContact O-C 3.59Å; R431-T651 WeakPolarHBondContact O-CA 3.37Å
652	Y	84.5	Confident	88.5	Confident	61 Å²	61	50.3 Å²	50.3	24%	0.239	26%	0.264	C	S	.	.			trans	-64.8	0	176.6	-74	-57.5	0	0	0	115.7	R411 L415 S418 V430 R431 R432	R411-Y652 HydrophobicContact CB-CD1 3.66Å; R411-Y652 HydrophobicContact CB-CE1 3.47Å; R411-Y652 VanDerWaalsContact CB-CE1 3.47Å; R411-Y652 PolarHBondContact NH1-OXT 3.06Å; L415-Y652 HydrophobicContact CB-CE2 4.07Å; L415-Y652 WeakPolarHBondContact CB-OH 3.49Å; L415-Y652 WeakPolarHBondContact CD1-OH 3.21Å; S418-Y652 PolarHBondContact OG-OH 3.11Å; V430-Y652 HydrophobicContact CG1-CD1 4.03Å; V430-Y652 HydrophobicContact CG1-CE1 3.96Å; V430-Y652 HydrophobicContact CG1-CG 4.37Å; R431-Y652 PolarHBondContact O-N 3.34Å; R432-Y652 HydrophobicContact CG-CD2 4.03Å

Retrieved 652 of 652 residues in 103.2 ms (Link to these results)

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