X5D2S9_HUMAN Loading...

E3 ubiquitin-protein ligase COP1

AlphaFold DB , UniProt , Accession X5D2S9, Species HUMAN (Homo sapiens, Human), Gene RFWD2, Length 666 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	35.7	Very low	33.4	Very low	246 Å²	246	139 Å²	139	100%	1.212	86%	0.864	S	S	*	*				0	123.6	0	-63.1	168.3	160.2	0	0	106.5
2	S	37.5	Very low	33.2	Very low	117 Å²	117	136.5 Å²	136.5	82%	0.818	87%	0.867	S	S	*	*			cis	-154.6	129.3	-4.3	35.2	0	0	0	0	105.5
3	G	33.7	Very low	32.9	Very low	71 Å²	71	130.8 Å²	130.8	73%	0.732	85%	0.849	S	S	*	*				71.8	125.5	87.9	0	0	0	0	0	111.2
4	S	34.8	Very low	32.8	Very low	116 Å²	116	131.5 Å²	131.5	81%	0.811	85%	0.85	S	S	*	*			cis	-158.8	145.4	19.1	-76.9	0	0	0	0	109.3
5	R	34.2	Very low	32.8	Very low	240 Å²	240	131 Å²	131	91%	0.906	85%	0.851	S	S	*	*				68	111.1	65.8	-84.3	-170.4	174.3	-169.9	-0.5	117.2
6	R	33.2	Very low	33.4	Very low	243 Å²	243	130.8 Å²	130.8	92%	0.917	85%	0.85	S	S	*	*				177.3	124.2	123.9	-94.9	173.8	174.1	-165.8	-2.8	108.4
7	A	34.5	Very low	33.2	Very low	106 Å²	106	126.9 Å²	126.9	88%	0.876	84%	0.84	S	S	*	*				74.9	137.9	62.7	0	0	0	0	0	112.8
8	G	32.1	Very low	33	Very low	75 Å²	75	126.2 Å²	126.2	77%	0.773	84%	0.837	S	S	*	*			cis	-152.4	-172.8	-4.5	0	0	0	0	0	108.1
9	S	31.1	Very low	32.9	Very low	123 Å²	123	125.8 Å²	125.8	86%	0.86	84%	0.837	S	S	*	*			cis	-173.3	149	35	51.5	0	0	0	0	112.3
10	G	30.1	Very low	32.8	Very low	76 Å²	76	124.3 Å²	124.3	78%	0.784	83%	0.834	S	S	*	*			trans	56.7	150.1	138.3	0	0	0	0	0	121.5
11	S	30.9	Very low	32.8	Very low	116 Å²	116	123.3 Å²	123.3	81%	0.811	84%	0.836	S	S	*	*			cis	-171.8	154.9	1.3	51.2	0	0	0	0	111.9
12	A	30.7	Very low	32.5	Very low	109 Å²	109	117.2 Å²	117.2	90%	0.901	82%	0.817	S	S	*	*			trans	64.7	149.8	165.1	0	0	0	0	0	118.2
13	G	29.3	Very low	32.1	Very low	62 Å²	62	116.7 Å²	116.7	64%	0.639	81%	0.814	S	S	*	*			cis	176.3	163.6	-6	0	0	0	0	0	112.8
14	T	30.9	Very low	32	Very low	141 Å²	141	119.3 Å²	119.3	87%	0.865	82%	0.815	S	S	*	*			trans	56.2	115.1	163.3	55.3	0	0	0	0	121.2
15	S	32.8	Very low	31.7	Very low	124 Å²	124	119.7 Å²	119.7	87%	0.867	81%	0.812	S	S	*	*				-169	137.6	122.2	-79	0	0	0	0	111
16	P	43.4	Very low	31.5	Very low	128 Å²	128	113 Å²	113	83%	0.831	80%	0.803	S	S	*	*			trans	-103.7	171.5	-175.6	39.9	-35.8	0	0	0	114.8
17	G	29.2	Very low	31.2	Very low	65 Å²	65	106.5 Å²	106.5	67%	0.67	80%	0.8	S	S	*	*			trans	74.5	110	131.6	0	0	0	0	0	118.4
18	S	29.8	Very low	31	Very low	113 Å²	113	106.7 Å²	106.7	79%	0.79	80%	0.796	S	S	*	*				96.7	104.3	70.8	63.7	0	0	0	0	114.3
19	S	32.2	Very low	31.1	Very low	120 Å²	120	108.8 Å²	108.8	84%	0.839	80%	0.799	S	S	*	*			trans	9.8	122	142.6	56.5	0	0	0	0	121.2
20	A	29.9	Very low	31.1	Very low	95 Å²	95	107.9 Å²	107.9	79%	0.785	79%	0.792	S	S	*	*			trans	-167.9	135.3	135.2	0	0	0	0	0	106.9
21	A	33.7	Very low	31.1	Very low	104 Å²	104	112.3 Å²	112.3	86%	0.86	80%	0.797	S	S	*	*			cis	71.2	87.3	24.8	0	0	0	0	0	114.8
22	S	28.5	Very low	31	Very low	117 Å²	117	112.8 Å²	112.8	82%	0.818	80%	0.8	S	S	*	*			trans	-146.1	108.9	161.5	47.7	0	0	0	0	111.9
23	S	29.6	Very low	31	Very low	107 Å²	107	112.1 Å²	112.1	75%	0.748	79%	0.789	S	S	*	*			trans	-59.7	167.1	144.6	50.4	0	0	0	0	109.2
24	V	31.1	Very low	31	Very low	126 Å²	126	114.6 Å²	114.6	76%	0.764	80%	0.796	S	S	*	*			cis	-160.6	179	38.7	-92.1	0	0	0	0	107.7
25	T	28.5	Very low	31.7	Very low	123 Å²	123	113.6 Å²	113.6	76%	0.755	79%	0.793	S	S	*	*			cis	-151.2	175.4	12.4	-14	0	0	0	0	112.3
26	S	29.8	Very low	31.6	Very low	101 Å²	101	113 Å²	113	71%	0.706	79%	0.788	S	S	*	*			trans	-56.2	155	164.6	51.6	0	0	0	0	118.9
27	A	28.1	Very low	31.3	Very low	105 Å²	105	112.7 Å²	112.7	87%	0.868	79%	0.786	S	S	*	*			trans	-145.6	146.5	137.1	0	0	0	0	0	110.1
28	S	30.3	Very low	31.8	Very low	111 Å²	111	115.1 Å²	115.1	78%	0.776	79%	0.79	S	S	*	*			trans	-152.1	129	-162.3	55.2	0	0	0	0	114.2
29	S	32.3	Very low	31.7	Very low	119 Å²	119	115 Å²	115	83%	0.832	79%	0.79	S	S	*	*			trans	171.8	145.5	161.7	48.8	0	0	0	0	109.6
30	S	31.8	Very low	31.6	Very low	104 Å²	104	115.4 Å²	115.4	73%	0.727	79%	0.787	S	S	*	*			cis	-170.1	138.5	-7.4	45.5	0	0	0	0	111.2
31	L	31.1	Very low	31.5	Very low	168 Å²	168	115.5 Å²	115.5	88%	0.88	79%	0.787	S	S	*	*			trans	27.8	125.1	140.5	-65.4	157.7	0	0	0	121.2
32	S	28.4	Very low	31.2	Very low	126 Å²	126	117 Å²	117	88%	0.881	79%	0.786	S	S	*	*				-150.3	153	126.6	67.9	0	0	0	0	110.2
33	S	29.9	Very low	31.2	Very low	95 Å²	95	116.9 Å²	116.9	66%	0.664	78%	0.784	S	S	*	*			trans	-143.3	140.3	-154.2	54.5	0	0	0	0	115.2
34	S	29.4	Very low	31	Very low	114 Å²	114	116.8 Å²	116.8	80%	0.797	79%	0.79	S	S	*	*			trans	69.4	169.9	153.4	-53.2	0	0	0	0	117.8
35	P	46.2	Very low	30.7	Very low	121 Å²	121	115.4 Å²	115.4	79%	0.786	79%	0.792	S	S	*	*			cis	-129.1	175.2	-15	21.7	1.9	0	0	0	114.9
36	S	30.8	Very low	30.6	Very low	111 Å²	111	113.7 Å²	113.7	78%	0.776	79%	0.791	S	S	*	*			trans	-75	168.3	162.9	-29.2	0	0	0	0	113
37	P	37.3	Very low	30.5	Very low	122 Å²	122	116.9 Å²	116.9	79%	0.792	80%	0.799	S	S	*	*			trans	-119	153.8	146.6	36.3	-28.2	0	0	0	113.3
38	P	39.4	Very low	30.5	Very low	115 Å²	115	118.1 Å²	118.1	75%	0.747	80%	0.795	S	S	*	*			trans	-112.1	177	-178.1	42	-34.6	0	0	0	114.8
39	S	28.1	Very low	30.5	Very low	112 Å²	112	118.5 Å²	118.5	78%	0.783	80%	0.798	S	S	*	*			trans	64.4	156.7	165.8	72.5	0	0	0	0	115.7
40	V	29	Very low	30.2	Very low	128 Å²	128	116.8 Å²	116.8	78%	0.776	80%	0.799	S	S	*	*			cis	-145.1	151	42.8	-177.3	0	0	0	0	111.7	V42	V40-V42 HydrophobicContact CG1-CG2 4.46Å
41	A	27.8	Very low	30	Very low	96 Å²	96	115.7 Å²	115.7	79%	0.793	80%	0.804	S	S	*	*			trans	-95.2	139	169.2	0	0	0	0	0	111.4
42	V	28.4	Very low	29.8	Very low	137 Å²	137	114.3 Å²	114.3	83%	0.83	80%	0.802	S	S	*	*			trans	-136.6	136	168.6	-177.2	0	0	0	0	109.4	V40	V40-V42 HydrophobicContact CG1-CG2 4.46Å
43	S	27.1	Very low	29.8	Very low	113 Å²	113	112.7 Å²	112.7	79%	0.79	80%	0.796	S	S	*	*			trans	-94.8	-175.9	-179.4	-50.1	0	0	0	0	112.5
44	A	25.9	Very low	29.7	Very low	105 Å²	105	116.9 Å²	116.9	87%	0.868	81%	0.806	S	S	*	*			trans	85.5	152	173.2	0	0	0	0	0	115.9
45	A	26.2	Very low	29.6	Very low	98 Å²	98	115.9 Å²	115.9	81%	0.81	80%	0.804	S	S	*	*			cis	-164.4	171.1	-24.7	0	0	0	0	0	109.7
46	A	26.2	Very low	28.7	Very low	87 Å²	87	115.1 Å²	115.1	72%	0.719	81%	0.808	S	S	*	*			trans	-44.5	152.9	179.8	0	0	0	0	0	118.5
47	L	27.5	Very low	28.5	Very low	167 Å²	167	113.4 Å²	113.4	87%	0.874	81%	0.808	S	S	*	*			trans	177.9	111.1	141.5	-93.6	159.4	0	0	0	105.1
48	V	27.5	Very low	28.2	Very low	132 Å²	132	113.5 Å²	113.5	80%	0.8	81%	0.811	S	S	*	*				63.1	79.1	50.8	-166.7	0	0	0	0	113.9
49	S	30	Very low	27.6	Very low	119 Å²	119	112.1 Å²	112.1	83%	0.832	82%	0.818	S	S	*	*			trans	-162.2	134.4	145.2	52.2	0	0	0	0	107.2
50	G	25.8	Very low	27.5	Very low	82 Å²	82	110.1 Å²	110.1	85%	0.845	82%	0.815	S	S	*	*			cis	105.9	86.6	14.4	0	0	0	0	0	109.5
51	G	27.2	Very low	27.6	Very low	81 Å²	81	113 Å²	113	84%	0.835	83%	0.825	S	S	*	*			trans	-174.3	104.1	-178.7	0	0	0	0	0	112.4
52	V	27.8	Very low	27.6	Very low	139 Å²	139	112.4 Å²	112.4	84%	0.842	83%	0.828	S	S	*	*			trans	-119.4	131.5	-178	176.5	0	0	0	0	109.9
53	A	28.4	Very low	27.6	Very low	92 Å²	92	109.4 Å²	109.4	76%	0.76	83%	0.825	S	S	*	*			trans	-171.5	122.1	162.9	0	0	0	0	0	105.9
54	Q	27.1	Very low	27.9	Very low	184 Å²	184	110.3 Å²	110.3	86%	0.86	83%	0.828	S	S	*	*			cis	51	136.3	36.2	-75.2	-163.5	-2.6	0	0	114.9
55	A	28.1	Very low	28.1	Very low	93 Å²	93	112 Å²	112	77%	0.769	83%	0.827	S	S	*	*			cis	-172.1	142.7	-20.3	0	0	0	0	0	109.1
56	A	27.6	Very low	28.2	Very low	105 Å²	105	117.9 Å²	117.9	87%	0.868	83%	0.829	S	S	*	*			trans	175.3	139	157.5	0	0	0	0	0	106.6
57	G	27.2	Very low	28.4	Very low	75 Å²	75	120 Å²	120	77%	0.773	84%	0.835	S	S	*	*			cis	102.6	129.7	34.5	0	0	0	0	0	108.4
58	S	29.6	Very low	28.3	Very low	123 Å²	123	118 Å²	118	86%	0.86	83%	0.829	S	S	*	*			cis	-174.6	150.3	5	48.9	0	0	0	0	111.6
59	G	26.9	Very low	28.3	Very low	87 Å²	87	120 Å²	120	90%	0.897	84%	0.835	S	S	*	*			trans	80.3	151.6	161.8	0	0	0	0	0	117.1
60	G	27	Very low	28.1	Very low	69 Å²	69	120.7 Å²	120.7	71%	0.711	83%	0.834	S	S	*	*			cis	170.1	162.3	-6	0	0	0	0	0	112
61	L	30.8	Very low	28	Very low	190 Å²	190	121 Å²	121	100%	0.995	83%	0.828	S	S	*	*			trans	68.8	145.9	176.7	-44.3	172.8	0	0	0	115.4
62	G	27.4	Very low	28.4	Very low	83 Å²	83	122.6 Å²	122.6	86%	0.856	82%	0.824	S	S	*	*			cis	144.4	105.7	-6.2	0	0	0	0	0	112.6
63	G	28	Very low	28.2	Very low	73 Å²	73	121.2 Å²	121.2	75%	0.753	83%	0.827	S	S	*	*			trans	126.9	153	169.1	0	0	0	0	0	115.6
64	P	34.1	Very low	28.2	Very low	132 Å²	132	123.3 Å²	123.3	86%	0.857	83%	0.83	S	S	*	*			trans	-101.4	148.5	-155	37.6	-34.3	0	0	0	115.1
65	V	28.7	Very low	28.3	Very low	142 Å²	142	120.2 Å²	120.2	86%	0.861	83%	0.829	S	S	*	*			trans	-117.4	126.5	169.1	-176.8	0	0	0	0	110.1
66	R	29.4	Very low	28.1	Very low	221 Å²	221	119.1 Å²	119.1	83%	0.834	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-64.8	139.5	176	-69.8	167.6	156.8	-177.5	-8	111.1	V68	R66-V68 PolarHBondContact O-N 3.11Å
67	P	29.5	Very low	28.2	Very low	130 Å²	130	120.2 Å²	120.2	84%	0.844	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-71.2	123.2	162.6	29.6	-31.4	0	0	0	109.8
68	V	26.4	Very low	28.1	Very low	126 Å²	126	120.6 Å²	120.6	76%	0.764	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-84.9	130.2	174.1	174.7	0	0	0	0	109.4	R66 V70	R66-V68 PolarHBondContact O-N 3.11Å; V68-V70 HydrophobicContact CG1-CG2 4.22Å; V68-V70 PolarHBondContact O-N 3.01Å
69	L	26.7	Very low	27.9	Very low	175 Å²	175	118.7 Å²	118.7	92%	0.916	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-67.2	120.7	170	-79.2	157.9	0	0	0	110.4
70	V	25.8	Very low	27.7	Very low	133 Å²	133	118.7 Å²	118.7	81%	0.806	83%	0.831	S	S	*	*			trans	-138.3	125.5	159.9	-173.3	0	0	0	0	110	V68	V68-V70 HydrophobicContact CG1-CG2 4.22Å; V68-V70 PolarHBondContact O-N 3.01Å
71	A	25	Very low	27.6	Very low	88 Å²	88	120.3 Å²	120.3	73%	0.727	84%	0.838	S	S	*	*			trans	-133.6	173.9	164.3	0	0	0	0	0	108
72	P	33.9	Very low	27.3	Very low	115 Å²	115	118.1 Å²	118.1	75%	0.747	83%	0.832	S	S	*	*				-96.1	152	-86.3	35.8	-29.6	0	0	0	112.4
73	A	24.1	Very low	27.1	Very low	109 Å²	109	119.3 Å²	119.3	90%	0.901	83%	0.827	S	S	*	*			trans	-81.7	123.4	173.7	0	0	0	0	0	111.4
74	V	28.5	Very low	27	Very low	136 Å²	136	122.6 Å²	122.6	82%	0.824	83%	0.833	S	S	*	*			trans	-103.7	114.1	171	-174.3	0	0	0	0	107.9	G76	V74-G76 PolarHBondContact O-N 2.64Å
75	S	29.4	Very low	26.5	Very low	120 Å²	120	120.1 Å²	120.1	84%	0.839	83%	0.831	S	S	*	*			trans	-87.9	88.1	179.9	58.5	0	0	0	0	111.5
76	G	25	Very low	26.3	Very low	70 Å²	70	121.4 Å²	121.4	72%	0.722	83%	0.833	S	S	*	*			trans	-95.2	125.3	159	0	0	0	0	0	110	V74	V74-G76 PolarHBondContact O-N 2.64Å
77	S	28.9	Very low	26.1	Very low	127 Å²	127	115.6 Å²	115.6	89%	0.888	83%	0.825	S	S	*	*			trans	-117.4	105.5	171.9	-64	0	0	0	0	109.8
78	G	24.1	Very low	25.9	Very low	83 Å²	83	119.7 Å²	119.7	86%	0.856	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-102.5	123.2	165.8	0	0	0	0	0	109.8
79	G	25.6	Very low	25.9	Very low	84 Å²	84	121.8 Å²	121.8	87%	0.866	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-103.4	116.8	163.6	0	0	0	0	0	108.7
80	G	23.9	Very low	25.7	Very low	86 Å²	86	118.7 Å²	118.7	89%	0.887	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-93.8	151	-179.1	0	0	0	0	0	113.1
81	A	24.7	Very low	25.7	Very low	104 Å²	104	118.1 Å²	118.1	86%	0.86	82%	0.819	S	S	*	*			trans	-132.4	145.5	159.1	0	0	0	0	0	109
82	V	24.6	Very low	25.6	Very low	144 Å²	144	118.7 Å²	118.7	87%	0.873	82%	0.823	S	S	*	*			trans	-101.2	143.6	-166.2	-78.4	0	0	0	0	112.9
83	S	23.6	Very low	25.2	Very low	107 Å²	107	118 Å²	118	75%	0.748	83%	0.828	S	S	*	*				178.9	129	125.3	51.3	0	0	0	0	115.2
84	T	24.7	Very low	25.2	Very low	143 Å²	143	123.5 Å²	123.5	88%	0.877	83%	0.825	S	S	*	*			trans	43.3	125.9	140.9	59.6	0	0	0	0	122.6
85	G	24.5	Very low	25.5	Very low	79 Å²	79	123.1 Å²	123.1	81%	0.814	83%	0.825	S	S	*	*			trans	171.9	41.6	167.2	0	0	0	0	0	120.3
86	L	24.9	Very low	25.4	Very low	170 Å²	170	122.4 Å²	122.4	89%	0.89	82%	0.821	S	S	*	*			trans	13.9	115.3	149.5	-71.1	165.8	0	0	0	121.1
87	S	25.1	Very low	25.5	Very low	98 Å²	98	124.3 Å²	124.3	69%	0.685	83%	0.83	S	S	*	*				148.3	128.3	109.2	-69.9	0	0	0	0	116.5
88	R	24.8	Very low	25.3	Very low	217 Å²	217	121.4 Å²	121.4	82%	0.819	82%	0.82	S	S	*	*			trans	45.1	142.4	132.9	-54.6	179	175.8	-176.7	-0.5	120
89	H	26.3	Very low	25.5	Very low	169 Å²	169	125.1 Å²	125.1	78%	0.782	83%	0.825	S	S	*	*			cis	-146.6	170.5	24.6	-104.9	-69.1	0	0	0	112.6
90	S	23	Very low	25.5	Very low	111 Å²	111	124.8 Å²	124.8	78%	0.776	82%	0.822	S	S	*	*			trans	-135.1	143.1	-174.8	45.4	0	0	0	0	113.4
91	C	24.7	Very low	25.5	Very low	121 Å²	121	124.2 Å²	124.2	82%	0.818	82%	0.816	S	S	*	*			trans	-173.4	138.3	157	52.9	0	0	0	0	107.9
92	A	23.9	Very low	25.5	Very low	99 Å²	99	124.9 Å²	124.9	82%	0.818	81%	0.814	S	S	*	*			cis	70.8	129.2	28.2	0	0	0	0	0	113.5
93	A	24.3	Very low	25.5	Very low	102 Å²	102	123.6 Å²	123.6	84%	0.843	81%	0.811	S	S	*	*			cis	-159.4	-178.3	-3.2	0	0	0	0	0	112.3
94	R	25.3	Very low	25.7	Very low	224 Å²	224	124.6 Å²	124.6	85%	0.845	82%	0.818	S	S	*	*			trans	-60.1	174.4	169	-104.9	178.9	-178.9	-151	2.1	113.4
95	P	34.5	Very low	25.6	Very low	127 Å²	127	122.7 Å²	122.7	83%	0.825	81%	0.811	S	S	*	*			cis	-151.6	-161.2	47.3	43	-19.3	0	0	0	118.1
96	S	26.8	Very low	25.7	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	82%	0.817	S	S	*	*			trans	-125.5	158.4	-165.8	-45.3	0	0	0	0	113.9
97	A	27.5	Very low	25.7	Very low	110 Å²	110	123.1 Å²	123.1	91%	0.909	81%	0.814	S	S	*	*			trans	-161.6	157.5	159.1	0	0	0	0	0	108.5
98	G	25.2	Very low	25.7	Very low	66 Å²	66	124.6 Å²	124.6	68%	0.68	82%	0.824	S	S	*	*			cis	167.3	123	-10.4	0	0	0	0	0	112.5
99	V	27.6	Very low	25.6	Very low	161 Å²	161	118.1 Å²	118.1	98%	0.976	83%	0.825	S	S	*	*			trans	55.7	138	150.3	-161.2	0	0	0	0	121.8
100	G	24.9	Very low	25.6	Very low	77 Å²	77	115.2 Å²	115.2	79%	0.794	82%	0.824	S	S	*	*			trans	141	112	142.6	0	0	0	0	0	118.5
101	G	24	Very low	25.7	Very low	74 Å²	74	122.1 Å²	122.1	76%	0.763	83%	0.832	S	S	*	*			trans	-97.7	172.4	-173	0	0	0	0	0	119.7
102	S	24.7	Very low	25.7	Very low	117 Å²	117	125.6 Å²	125.6	82%	0.818	83%	0.834	S	S	*	*			trans	78.4	107.8	140.2	-54.1	0	0	0	0	123.7
103	S	25.5	Very low	25.6	Very low	117 Å²	117	131.6 Å²	131.6	82%	0.818	84%	0.835	S	S	*	*				63.3	123.6	128.1	67.4	0	0	0	0	123.7
104	S	27	Very low	25.8	Very low	128 Å²	128	132.7 Å²	132.7	90%	0.895	83%	0.834	S	S	*	*			trans	-158	172.1	132.8	61.2	0	0	0	0	110.6
105	S	24.2	Very low	25.9	Very low	104 Å²	104	129.2 Å²	129.2	73%	0.727	83%	0.831	S	S	*	*			trans	-133.2	169.8	-153.1	55.9	0	0	0	0	116.1
106	L	26.1	Very low	25.4	Very low	177 Å²	177	131.6 Å²	131.6	93%	0.927	84%	0.836	S	S	*	*			trans	105.4	135.6	159	-60.1	159.2	0	0	0	118.2
107	G	24.1	Very low	25.4	Very low	80 Å²	80	130.7 Å²	130.7	83%	0.825	84%	0.835	S	S	*	*			trans	147.8	92.1	168.5	0	0	0	0	0	115
108	S	24.1	Very low	25.4	Very low	130 Å²	130	131.1 Å²	131.1	91%	0.909	83%	0.829	S	S	*	*			trans	-83	150.2	-178.7	-176.4	0	0	0	0	113.7
109	G	24.4	Very low	25.4	Very low	80 Å²	80	136 Å²	136	83%	0.825	84%	0.838	S	S	*	*			trans	-173.9	88.3	174.1	0	0	0	0	0	114.3
110	S	24.7	Very low	25.3	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	83%	0.832	S	S	*	*			trans	-91.8	148.1	-174	58.7	0	0	0	0	114.7
111	R	26.1	Very low	25.4	Very low	255 Å²	255	139 Å²	139	96%	0.962	84%	0.839	S	S	*	*			trans	-158.8	152.5	150.8	-106	163	-156.7	-154.2	5.1	111
112	K	24.3	Very low	25.6	Very low	195 Å²	195	139 Å²	139	85%	0.848	84%	0.84	S	S	*	*			trans	-120	142.9	-164.5	-68.4	173.5	175.3	172.4	0	113.1
113	R	21.9	Very low	25.7	Very low	224 Å²	224	140.2 Å²	140.2	85%	0.845	84%	0.836	S	S	*	*			trans	65	165.7	145.8	-79.5	-173	-179.9	-166.8	0.2	117.9
114	P	28.7	Very low	25.9	Very low	126 Å²	126	141.6 Å²	141.6	82%	0.818	83%	0.833	S	S	*	*			cis	-125.5	-171.6	11.5	39.1	-20.5	0	0	0	117
115	L	26.4	Very low	25.9	Very low	150 Å²	150	142.7 Å²	142.7	79%	0.785	83%	0.829	S	S	*	*			trans	-85.8	153.2	-171.6	-62.9	149.9	0	0	0	113.5
116	L	25.3	Very low	26.3	Very low	178 Å²	178	143 Å²	143	93%	0.932	83%	0.831	S	S	*	*			trans	-160.5	143.9	140.8	-110.7	148.4	0	0	0	110.3
117	A	26.1	Very low	26.7	Very low	86 Å²	86	145.8 Å²	145.8	71%	0.711	83%	0.83	S	S	*	*			trans	-107.4	157.8	-177.2	0	0	0	0	0	111.7
118	P	28.3	Very low	27.4	Very low	120 Å²	120	150.5 Å²	150.5	78%	0.779	83%	0.831	S	S	*	*			trans	-118.8	123.1	135.8	4.7	16.3	0	0	0	108.9
119	L	25.5	Very low	28.2	Very low	169 Å²	169	149.8 Å²	149.8	89%	0.885	82%	0.817	S	S	*	*				58.8	122.8	81.1	-73.9	172.2	0	0	0	113.7
120	C	25	Very low	29.1	Very low	126 Å²	126	154.4 Å²	154.4	85%	0.851	82%	0.815	S	S	*	*			trans	-71.7	135.1	-169.1	-53.3	0	0	0	0	113.2
121	N	27.3	Very low	30.4	Very low	173 Å²	173	152.3 Å²	152.3	93%	0.925	80%	0.8	S	S	*	*			trans	-161.2	105.8	133.1	-111.8	9.7	0	0	0	108.9
122	G	26.9	Very low	31.7	Very low	76 Å²	76	144.7 Å²	144.7	78%	0.784	78%	0.778	S	S	*	*			trans	-145.3	69.3	-169.8	0	0	0	0	0	112.8
123	L	28.5	Very low	33.6	Very low	141 Å²	141	141.2 Å²	141.2	74%	0.738	77%	0.769	S	S	*	*			trans	-152.2	143.3	162.7	-95.3	179.3	0	0	0	109.2
124	I	28	Very low	36.3	Very low	147 Å²	147	131.8 Å²	131.8	75%	0.754	73%	0.734	S	S	*	*	S	Bend	trans	74.5	78.9	169.1	-52.7	157.5	0	0	0	114.9
125	N	27	Very low	38.9	Very low	151 Å²	151	127.9 Å²	127.9	81%	0.807	71%	0.708	S	S	*	*				-177.5	93.6	108.2	-95.9	-7.3	0	0	0	110.5
126	S	33.8	Very low	41.6	Very low	111 Å²	111	120.8 Å²	120.8	78%	0.776	67%	0.671	S	S	*	*	S	Bend	trans	-99.2	138	158.6	57.5	0	0	0	0	108
127	Y	34.6	Very low	44.3	Very low	234 Å²	234	114.6 Å²	114.6	92%	0.918	64%	0.641	S	S	*	*	S	Bend	trans	77.6	54.1	174.5	-106.1	-94.7	0	0	0	117.4
128	E	38.8	Very low	46.9	Very low	179 Å²	179	113.1 Å²	113.1	84%	0.836	62%	0.621	S	S	*	*			trans	-173.7	84.1	140.1	-109	174.8	-160.6	0	0	110.8
129	D	40.6	Very low	49.5	Very low	116 Å²	116	109.6 Å²	109.6	62%	0.62	60%	0.598	S	S	*	*			trans	-151.6	51.4	179.6	-135.3	-13.8	0	0	0	113.1	N132	D129-N132 PolarHBondContact OD1-ND2 3.24Å
130	K	43.2	Very low	52.2	Low	177 Å²	177	109.1 Å²	109.1	77%	0.77	59%	0.59	S	S	*	*	S	Bend	trans	-124.6	9.9	167.8	-71.6	-172.4	175.4	-177.5	0	112.6	Q196	K130-Q196 PolarHBondContact O-NE2 3.38Å
131	S	51.2	Low	54.8	Low	65 Å²	65	108.3 Å²	108.3	46%	0.455	58%	0.577	S	S	.	*	S	Bend	trans	-95.9	-29.2	177.1	38.9	0	0	0	0	111.9	D133	S131-D133 PolarHBondContact O-N 3.37Å
132	N	54.2	Low	57.4	Low	95 Å²	95	103.5 Å²	103.5	51%	0.508	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-78.9	-14.2	-172.4	-67.8	-31.1	0	0	0	114.3	D129 F134 V135	D129-N132 PolarHBondContact OD1-ND2 3.24Å; N132-F134 PolarHBondContact O-N 2.88Å; N132-F134 VanDerWaalsContact O-N 3.15Å; N132-V135 PolarHBondContact O-N 3.46Å
133	D	64.6	Low	60.1	Low	121 Å²	121	100.1 Å²	100.1	65%	0.647	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-65.3	-15.3	178.7	-65.2	-38.9	0	0	0	114.2	S131	S131-D133 PolarHBondContact O-N 3.37Å
134	F	78.9	Confident	62.4	Low	27 Å²	27	100 Å²	100	12%	0.118	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-118.3	9.5	-174.1	-61.2	-62.4	0	0	0	114	N132 I143 V189 L192 I193 Q196	N132-F134 PolarHBondContact O-N 2.88Å; N132-F134 VanDerWaalsContact O-N 3.15Å; F134-I143 PolarHBondContact O-N 3.34Å; F134-V189 HydrophobicContact CD1-CG1 4.49Å; F134-L192 HydrophobicContact CE1-CB 3.6Å; F134-L192 HydrophobicContact CE1-CD1 4.3Å; F134-L192 HydrophobicContact CZ-CB 3.9Å; F134-I193 HydrophobicContact CB-CD1 4.2Å; F134-I193 HydrophobicContact CB-CG1 3.89Å; F134-I193 HydrophobicContact CD1-CD1 4.12Å; F134-I193 HydrophobicContact CD1-CG1 3.46Å; F134-I193 VanDerWaalsContact CD1-CG1 3.46Å; F134-I193 HydrophobicContact CE1-CG1 4.28Å; F134-I193 HydrophobicContact CG-CG1 3.89Å; F134-Q196 HydrophobicContact CD2-CG 4.15Å; F134-Q196 HydrophobicContact CE2-CG 4.45Å
135	V	83.9	Confident	65.1	Low	44 Å²	44	97.4 Å²	97.4	27%	0.267	49%	0.494	S	S	.	.	B	Isolated β-bridge	trans	-93.8	134.9	-178.2	177.5	0	0	0	0	110	N132 P137 F140 D141	N132-V135 PolarHBondContact O-N 3.46Å; V135-P137 VanDerWaalsContact O-CD 3.32Å; V135-P137 WeakPolarHBondContact O-CD 3.45Å; V135-F140 VanDerWaalsContact CG1-C 3.43Å; V135-F140 WeakPolarHBondContact CG1-O 3.46Å; V135-D141 CarbonylContact C-O 3.58Å; V135-D141 WeakPolarHBondContact CA-O 3.37Å
136	C	82.6	Confident	67.9	Low	0 Å²	0	90.2 Å²	90.2	0%	0	46%	0.455	C	S	.	.			trans	-70.9	120.9	176.5	-176.7	0	0	0	0	109.8	I138 C139 F140 D141 I143 C156	C136-I138 PolarHBondContact O-N 3.46Å; C136-C139 VanDerWaalsContact CB-SG 3.51Å; C136-F140 VanDerWaalsContact O-CA 3.28Å; C136-F140 WeakPolarHBondContact O-CA 3.38Å; C136-F140 PolarHBondContact O-N 3.08Å; C136-D141 WeakPolarHBondContact CB-O 3.41Å; C136-D141 PolarHBondContact N-O 3.33Å; C136-I143 HydrophobicContact CB-CG1 3.73Å; C136-C156 PolarHBondContact SG-N 3.36Å; C136-C156 VanDerWaalsContact SG-N 3.43Å
137	P	80.9	Confident	70.4	Confident	49 Å²	49	87.8 Å²	87.8	32%	0.318	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-1.3	179.9	-22.4	33	0	0	0	116.1	V135 F155 K172	V135-P137 VanDerWaalsContact O-CD 3.32Å; V135-P137 WeakPolarHBondContact O-CD 3.45Å; P137-F155 HydrophobicContact CB-CD1 4.38Å; P137-F155 HydrophobicContact CB-CE1 4Å; P137-F155 HydrophobicContact CG-CD1 4.14Å; P137-F155 HydrophobicContact CG-CE1 3.9Å; P137-K172 HydrophobicContact CG-CD 4.27Å
138	I	81.7	Confident	72.9	Confident	55 Å²	55	79.6 Å²	79.6	28%	0.282	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-51.7	-177.3	-59.6	166.8	0	0	0	111	C136 F155 C159 I160 P171	C136-I138 PolarHBondContact O-N 3.46Å; I138-F155 HydrophobicContact CD1-CB 4.33Å; I138-F155 HydrophobicContact CD1-CD1 3.53Å; I138-F155 HydrophobicContact CD1-CE1 4.09Å; I138-F155 HydrophobicContact CD1-CG 4.12Å; I138-F155 HydrophobicContact CG1-CD1 3.79Å; I138-F155 HydrophobicContact CG1-CE1 4.13Å; I138-C159 HydrophobicContact CB-CB 3.9Å; I138-C159 HydrophobicContact CD1-CB 3.79Å; I138-C159 HydrophobicContact CG1-CB 4.45Å; I138-C159 HydrophobicContact CG2-CB 3.89Å; I138-I160 HydrophobicContact CD1-CD1 4.43Å; I138-P171 HydrophobicContact CD1-CG 4.05Å; I138-P171 HydrophobicContact CG1-CB 4.37Å; I138-P171 HydrophobicContact CG1-CG 4.28Å
139	C	81.7	Confident	75.1	Confident	45 Å²	45	71 Å²	71	30%	0.304	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-10.9	178.3	63	0	0	0	0	114.3	C136 D141	C136-C139 VanDerWaalsContact CB-SG 3.51Å; C139-D141 PolarHBondContact O-N 2.9Å
140	F	82.2	Confident	76.9	Confident	160 Å²	160	70.4 Å²	70.4	70%	0.702	35%	0.352	S	S	*	.			trans	63.2	9.4	-175.4	-51.2	-81.7	0	0	0	115.6	V135 C136	V135-F140 VanDerWaalsContact CG1-C 3.43Å; V135-F140 WeakPolarHBondContact CG1-O 3.46Å; C136-F140 VanDerWaalsContact O-CA 3.28Å; C136-F140 WeakPolarHBondContact O-CA 3.38Å; C136-F140 PolarHBondContact O-N 3.08Å
141	D	81.1	Confident	78.8	Confident	108 Å²	108	63.9 Å²	63.9	58%	0.578	33%	0.328	S	S	*	.	S	Bend	trans	-92.2	165.5	170.7	-61.8	-57.4	0	0	0	112.6	V135 C136 C139 I143	V135-D141 CarbonylContact C-O 3.58Å; V135-D141 WeakPolarHBondContact CA-O 3.37Å; C136-D141 WeakPolarHBondContact CB-O 3.41Å; C136-D141 PolarHBondContact N-O 3.33Å; C139-D141 PolarHBondContact O-N 2.9Å; D141-I143 PolarHBondContact O-N 2.87Å
142	M	82	Confident	80.2	Confident	73 Å²	73	62.8 Å²	62.8	36%	0.36	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-62.8	132.4	172.5	-173.4	176.8	-65.6	0	0	110.7	E144 I193 K197	M142-E144 PolarHBondContact O-N 2.96Å; M142-I193 HydrophobicContact CG-CG2 3.99Å; M142-I193 HydrophobicContact SD-CG2 3.88Å; M142-K197 HydrophobicContact SD-CD 4.2Å; M142-K197 WeakPolarHBondContact SD-CE 3.49Å; M142-K197 HydrophobicContact SD-CG 3.71Å
143	I	83.3	Confident	81.7	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.026	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-62.6	121.8	-173.4	-61.7	164	0	0	0	111.1	F134 C136 D141 A146 I193	F134-I143 PolarHBondContact O-N 3.34Å; C136-I143 HydrophobicContact CB-CG1 3.73Å; D141-I143 PolarHBondContact O-N 2.87Å; I143-A146 VanDerWaalsContact CG2-CA 3.43Å; I143-A146 HydrophobicContact CG2-CB 3.64Å; I143-I193 HydrophobicContact CB-CD1 3.66Å; I143-I193 HydrophobicContact CG2-CD1 4.32Å; I143-I193 WeakPolarHBondContact O-CD1 3.43Å
144	E	76.5	Confident	82.8	Confident	139 Å²	139	56 Å²	56	65%	0.65	29%	0.291	S	S	*	.	S	Bend	trans	-81.7	-43.9	178.5	-63	-167.8	137	0	0	112.5	M142	M142-E144 PolarHBondContact O-N 2.96Å
145	E	84.3	Confident	83.2	Confident	91 Å²	91	54.7 Å²	54.7	43%	0.425	29%	0.285	S	S	.	.	S	Bend	trans	-134.3	94.5	-179.8	-68	176.3	158.6	0	0	108.4	Y147 C156 Y157	E145-Y147 PolarHBondContact O-N 3.47Å; E145-C156 CarbonylContact O-C 3.56Å; E145-C156 WeakPolarHBondContact O-CA 3.45Å; E145-Y157 PolarHBondContact O-N 2.98Å
146	A	86.6	Confident	83.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	117.9	-175.1	0	0	0	0	0	111.5	I143 F155 N186 V189 N190	I143-A146 VanDerWaalsContact CG2-CA 3.43Å; I143-A146 HydrophobicContact CG2-CB 3.64Å; A146-F155 WeakPolarHBondContact CA-O 3.46Å; A146-N186 HydrophobicContact CB-CB 4.1Å; A146-N186 PolarHBondContact O-N 3.01Å; A146-V189 HydrophobicContact CB-CB 3.9Å; A146-V189 HydrophobicContact CB-CG1 3.63Å; A146-N190 WeakPolarHBondContact CB-OD1 3.27Å; A146-N190 PolarHBondContact N-OD1 3.32Å
147	Y	86.7	Confident	83.7	Confident	61 Å²	61	56.9 Å²	56.9	24%	0.239	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.2	167.1	-83.7	-112.5	0	0	0	109.6	E145 S154 F155 Y157 L183 Y184 P185	E145-Y147 PolarHBondContact O-N 3.47Å; Y147-S154 VanDerWaalsContact O-CA 3.32Å; Y147-S154 WeakPolarHBondContact O-CA 3.46Å; Y147-F155 PolarHBondContact N-O 3.36Å; Y147-F155 PolarHBondContact O-N 2.93Å; Y147-Y157 AromaticContact CD1-CD2 3.81Å; Y147-Y157 HydrophobicContact CD1-CD2 3.81Å; Y147-Y157 HydrophobicContact CD1-CE2 4.34Å; Y147-Y157 AromaticContact CD2-CD2 3.68Å; Y147-Y157 HydrophobicContact CD2-CD2 3.68Å; Y147-Y157 AromaticContact CD2-CG 3.96Å; Y147-Y157 HydrophobicContact CD2-CG 3.96Å; Y147-Y157 AromaticContact CE1-CD2 3.73Å; Y147-Y157 HydrophobicContact CE1-CD2 3.73Å; Y147-Y157 AromaticContact CE1-CE2 3.99Å; Y147-Y157 HydrophobicContact CE1-CE2 3.99Å; Y147-Y157 AromaticContact CE2-CD2 3.63Å; Y147-Y157 HydrophobicContact CE2-CD2 3.63Å; Y147-Y157 HydrophobicContact CE2-CE2 4.49Å; Y147-Y157 AromaticContact CE2-CG 3.83Å; Y147-Y157 HydrophobicContact CE2-CG 3.83Å; Y147-Y157 AromaticContact CG-CD2 3.76Å; Y147-Y157 HydrophobicContact CG-CD2 3.76Å; Y147-Y157 HydrophobicContact CG-CG 4.45Å; Y147-Y157 AromaticContact CZ-CD2 3.63Å; Y147-L183 HydrophobicContact CD1-CB 4.08Å; Y147-Y184 CarbonylContact C-O 3.54Å; Y147-Y184 WeakPolarHBondContact CA-O 3.3Å; Y147-P185 HydrophobicContact CD1-CG 4.32Å; Y147-P185 HydrophobicContact CE1-CB 4.19Å; Y147-P185 HydrophobicContact CE1-CG 3.66Å; Y147-P185 HydrophobicContact CE2-CB 4.41Å
148	M	85.9	Confident	84	Confident	61 Å²	61	61.3 Å²	61.3	30%	0.3	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.9	177.3	68.4	-175	-62.1	0	0	111.8	H153 Y184 N186	M148-H153 WeakPolarHBondContact CA-O 3.36Å; M148-Y184 WeakPolarHBondContact CG-O 3.41Å; M148-Y184 PolarHBondContact N-O 3.43Å; M148-Y184 PolarHBondContact O-N 3.43Å; M148-N186 HydrophobicContact CB-CB 4.32Å; M148-N186 HydrophobicContact CG-CB 4.36Å; M148-N186 HydrophobicContact SD-CB 4.42Å
149	T	84.5	Confident	84.3	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	160.1	168.1	51.7	0	0	0	0	110.4	C151 G152 H153 F155 I160 V177 L183	T149-C151 PolarHBondContact O-N 2.84Å; T149-C151 PolarHBondContact OG1-SG 2.75Å; T149-G152 PolarHBondContact O-N 3.44Å; T149-H153 PolarHBondContact N-O 3.37Å; T149-H153 PolarHBondContact OG1-O 3.32Å; T149-H153 VanDerWaalsContact OG1-O 3.12Å; T149-F155 HydrophobicContact CG2-CD2 4.47Å; T149-F155 HydrophobicContact CG2-CE2 4.21Å; T149-I160 HydrophobicContact CG2-CD1 4.05Å; T149-I160 HydrophobicContact CG2-CG1 3.98Å; T149-V177 HydrophobicContact CG2-CG2 4.32Å; T149-L183 HydrophobicContact CG2-CD2 3.72Å
150	K	79.2	Confident	84.4	Confident	103 Å²	103	57.9 Å²	57.9	45%	0.448	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-27.1	175.1	-79.7	-178	175.1	171.8	0	114.9	G152 Y175 H182 Y184	K150-G152 VanDerWaalsContact C-N 3.26Å; K150-G152 PolarHBondContact O-N 2.86Å; K150-Y175 HydrophobicContact CB-CE1 4.26Å; K150-H182 HydrophobicContact CD-CB 4.05Å; K150-H182 WeakPolarHBondContact CE-CD2 3.49Å; K150-H182 VanDerWaalsContact CE-CG 3.43Å; K150-H182 HydrophobicContact CG-CB 4.23Å; K150-H182 PolarHBondContact NZ-CD2 2.87Å; K150-H182 PolarHBondContact NZ-CE1 3.21Å; K150-H182 VanDerWaalsContact NZ-CG 3.29Å; K150-H182 PolarHBondContact NZ-ND1 3.36Å; K150-H182 PolarHBondContact NZ-NE2 2.97Å; K150-Y184 HydrophobicContact CG-CE2 3.9Å
151	C	83.5	Confident	84.6	Confident	40 Å²	40	52.3 Å²	52.3	27%	0.27	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	6.1	177	71.6	0	0	0	0	114.9	T149 H153 C170 C173 Y175	T149-C151 PolarHBondContact O-N 2.84Å; T149-C151 PolarHBondContact OG1-SG 2.75Å; C151-H153 PolarHBondContact SG-ND1 2.99Å; C151-H153 VanDerWaalsContact SG-ND1 3.35Å; C151-C170 PolarHBondContact SG-SG 3.15Å; C151-C173 PolarHBondContact SG-SG 3.28Å; C151-Y175 HydrophobicContact CB-CD1 4.05Å; C151-Y175 HydrophobicContact CB-CD2 4.47Å; C151-Y175 HydrophobicContact CB-CG 3.9Å
152	G	79.8	Confident	84.8	Confident	41 Å²	41	52 Å²	52	42%	0.423	26%	0.257	S	S	.	.	S	Bend	trans	88.5	-4.2	174.1	0	0	0	0	0	115.7	T149 K150	T149-G152 PolarHBondContact O-N 3.44Å; K150-G152 VanDerWaalsContact C-N 3.26Å; K150-G152 PolarHBondContact O-N 2.86Å
153	H	86.1	Confident	84.9	Confident	48 Å²	48	49.8 Å²	49.8	22%	0.222	25%	0.249	C	C	.	.			trans	-84.1	131.2	-179.8	-65.1	123.6	0	0	0	112.3	M148 T149 C151 F155 K172 C173	M148-H153 WeakPolarHBondContact CA-O 3.36Å; T149-H153 PolarHBondContact N-O 3.37Å; T149-H153 PolarHBondContact OG1-O 3.32Å; T149-H153 VanDerWaalsContact OG1-O 3.12Å; C151-H153 PolarHBondContact SG-ND1 2.99Å; C151-H153 VanDerWaalsContact SG-ND1 3.35Å; H153-F155 HydrophobicContact CB-CE2 3.58Å; H153-F155 HydrophobicContact CB-CZ 3.85Å; H153-F155 WeakPolarHBondContact O-CE2 3.37Å; H153-K172 HydrophobicContact CB-CB 4.41Å; H153-K172 HydrophobicContact CB-CD 4.43Å; H153-K172 VanDerWaalsContact CD2-CD 3.42Å; H153-K172 WeakPolarHBondContact CD2-CD 3.31Å; H153-C173 PolarHBondContact ND1-SG 3Å; H153-C173 VanDerWaalsContact ND1-SG 3.43Å
154	S	87.6	Confident	84.8	Confident	26 Å²	26	50 Å²	50	18%	0.182	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.4	-179.4	-57.4	0	0	0	0	112.2	Y147 N186	Y147-S154 VanDerWaalsContact O-CA 3.32Å; Y147-S154 WeakPolarHBondContact O-CA 3.46Å; S154-N186 PolarHBondContact OG-ND2 2.96Å
155	F	88.3	Confident	85.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	168.5	-177.8	-55	-90.5	0	0	0	109.6	P137 I138 A146 Y147 T149 H153 I160 P171 K172	P137-F155 HydrophobicContact CB-CD1 4.38Å; P137-F155 HydrophobicContact CB-CE1 4Å; P137-F155 HydrophobicContact CG-CD1 4.14Å; P137-F155 HydrophobicContact CG-CE1 3.9Å; I138-F155 HydrophobicContact CD1-CB 4.33Å; I138-F155 HydrophobicContact CD1-CD1 3.53Å; I138-F155 HydrophobicContact CD1-CE1 4.09Å; I138-F155 HydrophobicContact CD1-CG 4.12Å; I138-F155 HydrophobicContact CG1-CD1 3.79Å; I138-F155 HydrophobicContact CG1-CE1 4.13Å; A146-F155 WeakPolarHBondContact CA-O 3.46Å; Y147-F155 PolarHBondContact N-O 3.36Å; Y147-F155 PolarHBondContact O-N 2.93Å; T149-F155 HydrophobicContact CG2-CD2 4.47Å; T149-F155 HydrophobicContact CG2-CE2 4.21Å; H153-F155 HydrophobicContact CB-CE2 3.58Å; H153-F155 HydrophobicContact CB-CZ 3.85Å; H153-F155 WeakPolarHBondContact O-CE2 3.37Å; F155-I160 HydrophobicContact CB-CB 3.83Å; F155-I160 HydrophobicContact CB-CG2 4.24Å; F155-I160 HydrophobicContact CD2-CB 4.24Å; F155-I160 HydrophobicContact CD2-CD1 3.84Å; F155-I160 HydrophobicContact CD2-CG1 4Å; F155-I160 HydrophobicContact CE2-CD1 4.01Å; F155-I160 HydrophobicContact CG-CB 4.17Å; F155-I160 HydrophobicContact CG-CD1 4.22Å; F155-I160 HydrophobicContact CG-CG1 4.39Å; F155-P171 HydrophobicContact CE1-CB 4.36Å; F155-K172 HydrophobicContact CE1-CB 4.39Å; F155-K172 HydrophobicContact CZ-CB 3.93Å
156	C	89.1	Confident	84.9	Confident	11 Å²	11	49.1 Å²	49.1	7%	0.074	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	137	162.9	-59.5	0	0	0	0	110.3	C136 E145 K158 C159 I160	C136-C156 PolarHBondContact SG-N 3.36Å; C136-C156 VanDerWaalsContact SG-N 3.43Å; E145-C156 CarbonylContact O-C 3.56Å; E145-C156 WeakPolarHBondContact O-CA 3.45Å; C156-K158 PolarHBondContact O-N 2.86Å; C156-C159 HydrophobicContact CB-CB 4.04Å; C156-C159 PolarHBondContact O-N 3.4Å; C156-C159 VanDerWaalsContact O-N 3.07Å; C156-I160 PolarHBondContact O-N 2.84Å
157	Y	86.7	Confident	84.6	Confident	79 Å²	79	54.5 Å²	54.5	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-45.6	-58.3	176.5	179.7	-117.2	0	0	0	112.6	E145 Y147 C159 I160 H161	E145-Y157 PolarHBondContact O-N 2.98Å; Y147-Y157 AromaticContact CD1-CD2 3.81Å; Y147-Y157 HydrophobicContact CD1-CD2 3.81Å; Y147-Y157 HydrophobicContact CD1-CE2 4.34Å; Y147-Y157 AromaticContact CD2-CD2 3.68Å; Y147-Y157 HydrophobicContact CD2-CD2 3.68Å; Y147-Y157 AromaticContact CD2-CG 3.96Å; Y147-Y157 HydrophobicContact CD2-CG 3.96Å; Y147-Y157 AromaticContact CE1-CD2 3.73Å; Y147-Y157 HydrophobicContact CE1-CD2 3.73Å; Y147-Y157 AromaticContact CE1-CE2 3.99Å; Y147-Y157 HydrophobicContact CE1-CE2 3.99Å; Y147-Y157 AromaticContact CE2-CD2 3.63Å; Y147-Y157 HydrophobicContact CE2-CD2 3.63Å; Y147-Y157 HydrophobicContact CE2-CE2 4.49Å; Y147-Y157 AromaticContact CE2-CG 3.83Å; Y147-Y157 HydrophobicContact CE2-CG 3.83Å; Y147-Y157 AromaticContact CG-CD2 3.76Å; Y147-Y157 HydrophobicContact CG-CD2 3.76Å; Y147-Y157 HydrophobicContact CG-CG 4.45Å; Y147-Y157 AromaticContact CZ-CD2 3.63Å; Y157-C159 VanDerWaalsContact C-N 3.3Å; Y157-C159 PolarHBondContact O-N 3.4Å; Y157-I160 WeakPolarHBondContact O-CG2 3.37Å; Y157-I160 PolarHBondContact O-N 3.45Å; Y157-H161 AromaticContact CE2-CD2 3.99Å; Y157-H161 AromaticContact CZ-CD2 3.74Å; Y157-H161 VanDerWaalsContact O-CB 3.3Å; Y157-H161 WeakPolarHBondContact O-CB 3.38Å; Y157-H161 PolarHBondContact O-N 2.88Å; Y157-H161 PolarHBondContact OH-CD2 3.28Å
158	K	87	Confident	84.5	Confident	141 Å²	141	55.8 Å²	55.8	61%	0.613	29%	0.29	S	S	*	.	H	α-helix	trans	-55	-42.4	179.6	-61.8	172.9	-173.3	163.4	0	112.7	C156 Q162	C156-K158 PolarHBondContact O-N 2.86Å; K158-Q162 WeakPolarHBondContact O-CB 3.37Å; K158-Q162 PolarHBondContact O-N 3.46Å; K158-Q162 VanDerWaalsContact O-N 3.1Å
159	C	88	Confident	84.3	Confident	28 Å²	28	58.2 Å²	58.2	19%	0.189	30%	0.295	C	S	.	.	H	α-helix	trans	-69.7	-42.5	-178	-60.9	0	0	0	0	112.7	I138 C156 Y157 S163	I138-C159 HydrophobicContact CB-CB 3.9Å; I138-C159 HydrophobicContact CD1-CB 3.79Å; I138-C159 HydrophobicContact CG1-CB 4.45Å; I138-C159 HydrophobicContact CG2-CB 3.89Å; C156-C159 HydrophobicContact CB-CB 4.04Å; C156-C159 PolarHBondContact O-N 3.4Å; C156-C159 VanDerWaalsContact O-N 3.07Å; Y157-C159 VanDerWaalsContact C-N 3.3Å; Y157-C159 PolarHBondContact O-N 3.4Å; C159-S163 VanDerWaalsContact O-CB 3.24Å; C159-S163 WeakPolarHBondContact O-CB 3.37Å; C159-S163 PolarHBondContact O-N 3.47Å
160	I	84.8	Confident	84.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-77.6	-30.8	179	-167.7	61	0	0	0	112.2	I138 T149 F155 C156 Y157 L164 P171 L183	I138-I160 HydrophobicContact CD1-CD1 4.43Å; T149-I160 HydrophobicContact CG2-CD1 4.05Å; T149-I160 HydrophobicContact CG2-CG1 3.98Å; F155-I160 HydrophobicContact CB-CB 3.83Å; F155-I160 HydrophobicContact CB-CG2 4.24Å; F155-I160 HydrophobicContact CD2-CB 4.24Å; F155-I160 HydrophobicContact CD2-CD1 3.84Å; F155-I160 HydrophobicContact CD2-CG1 4Å; F155-I160 HydrophobicContact CE2-CD1 4.01Å; F155-I160 HydrophobicContact CG-CB 4.17Å; F155-I160 HydrophobicContact CG-CD1 4.22Å; F155-I160 HydrophobicContact CG-CG1 4.39Å; C156-I160 PolarHBondContact O-N 2.84Å; Y157-I160 WeakPolarHBondContact O-CG2 3.37Å; Y157-I160 PolarHBondContact O-N 3.45Å; I160-L164 HydrophobicContact CD1-CD1 4.4Å; I160-L164 HydrophobicContact CD1-CG 4.16Å; I160-L164 HydrophobicContact CG1-CD1 4.07Å; I160-L164 HydrophobicContact CG1-CG 4.26Å; I160-L164 WeakPolarHBondContact O-CB 3.4Å; I160-L164 VanDerWaalsContact O-CG 3.25Å; I160-L164 WeakPolarHBondContact O-CG 3.5Å; I160-L164 PolarHBondContact O-N 3.36Å; I160-P171 HydrophobicContact CD1-CG 4.29Å; I160-L183 HydrophobicContact CG1-CD2 3.77Å; I160-L183 HydrophobicContact CG2-CD1 3.94Å; I160-L183 HydrophobicContact CG2-CD2 4.01Å
161	H	85.7	Confident	84.4	Confident	44 Å²	44	56.5 Å²	56.5	20%	0.204	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-54.8	172.8	-160.6	-75.4	0	0	0	110.4	Y157 S163 L164 E165	Y157-H161 AromaticContact CE2-CD2 3.99Å; Y157-H161 AromaticContact CZ-CD2 3.74Å; Y157-H161 VanDerWaalsContact O-CB 3.3Å; Y157-H161 WeakPolarHBondContact O-CB 3.38Å; Y157-H161 PolarHBondContact O-N 2.88Å; Y157-H161 PolarHBondContact OH-CD2 3.28Å; H161-S163 VanDerWaalsContact C-N 3.34Å; H161-S163 PolarHBondContact O-N 2.93Å; H161-L164 PolarHBondContact O-N 2.89Å; H161-L164 VanDerWaalsContact O-N 3.12Å; H161-E165 IonicContact CE1-OE1 3.98Å; H161-E165 PolarHBondContact CE1-OE1 2.94Å; H161-E165 IonicContact ND1-OE1 2.65Å; H161-E165 PolarHBondContact ND1-OE1 3.34Å; H161-E165 PolarHBondContact O-N 2.96Å
162	Q	85.3	Confident	84.2	Confident	100 Å²	100	60.8 Å²	60.8	47%	0.467	31%	0.309	S	S	.	.	H	α-helix	trans	-59	-44.9	177.2	-166.2	64.6	69.4	0	0	111.9	K158 L164 E165 D166	K158-Q162 WeakPolarHBondContact O-CB 3.37Å; K158-Q162 PolarHBondContact O-N 3.46Å; K158-Q162 VanDerWaalsContact O-N 3.1Å; Q162-L164 PolarHBondContact O-N 3.27Å; Q162-E165 PolarHBondContact NE2-OE2 2.92Å; Q162-E165 WeakPolarHBondContact O-CB 3.23Å; Q162-E165 PolarHBondContact O-N 3.34Å; Q162-D166 PolarHBondContact O-N 3.4Å; Q162-D166 VanDerWaalsContact O-N 3.08Å
163	S	83.8	Confident	84.3	Confident	28 Å²	28	61.7 Å²	61.7	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-28	179.4	-177.4	0	0	0	0	113.5	C159 H161 N167 P171	C159-S163 VanDerWaalsContact O-CB 3.24Å; C159-S163 WeakPolarHBondContact O-CB 3.37Å; C159-S163 PolarHBondContact O-N 3.47Å; H161-S163 VanDerWaalsContact C-N 3.34Å; H161-S163 PolarHBondContact O-N 2.93Å; S163-N167 CarbonylContact O-C 3.59Å; S163-N167 PolarHBondContact O-N 2.88Å; S163-P171 WeakPolarHBondContact OG-CG 3.31Å
164	L	82.3	Confident	84.1	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-85.7	-24.7	177.4	-72.6	179.7	0	0	0	113.2	I160 H161 Q162 N167 V177 L183	I160-L164 HydrophobicContact CD1-CD1 4.4Å; I160-L164 HydrophobicContact CD1-CG 4.16Å; I160-L164 HydrophobicContact CG1-CD1 4.07Å; I160-L164 HydrophobicContact CG1-CG 4.26Å; I160-L164 WeakPolarHBondContact O-CB 3.4Å; I160-L164 VanDerWaalsContact O-CG 3.25Å; I160-L164 WeakPolarHBondContact O-CG 3.5Å; I160-L164 PolarHBondContact O-N 3.36Å; H161-L164 PolarHBondContact O-N 2.89Å; H161-L164 VanDerWaalsContact O-N 3.12Å; Q162-L164 PolarHBondContact O-N 3.27Å; L164-N167 WeakPolarHBondContact CA-O 3.43Å; L164-V177 HydrophobicContact CD1-CB 4.22Å; L164-V177 HydrophobicContact CD1-CG1 3.83Å; L164-V177 HydrophobicContact CD2-CB 3.85Å; L164-V177 HydrophobicContact CD2-CG1 4.38Å; L164-V177 HydrophobicContact CD2-CG2 4.29Å; L164-L183 HydrophobicContact CD1-CD1 4.13Å; L164-L183 HydrophobicContact CD1-CD2 3.91Å; L164-L183 HydrophobicContact CD1-CG 4.1Å
165	E	82.4	Confident	83.9	Confident	102 Å²	102	69 Å²	69	48%	0.477	34%	0.338	S	S	.	.	H	α-helix	trans	-65	-41.7	165.6	-70.5	169.9	-170.5	0	0	111.1	H161 Q162	H161-E165 IonicContact CE1-OE1 3.98Å; H161-E165 PolarHBondContact CE1-OE1 2.94Å; H161-E165 IonicContact ND1-OE1 2.65Å; H161-E165 PolarHBondContact ND1-OE1 3.34Å; H161-E165 PolarHBondContact O-N 2.96Å; Q162-E165 PolarHBondContact NE2-OE2 2.92Å; Q162-E165 WeakPolarHBondContact O-CB 3.23Å; Q162-E165 PolarHBondContact O-N 3.34Å
166	D	80.2	Confident	83.6	Confident	111 Å²	111	71.4 Å²	71.4	59%	0.594	35%	0.353	S	S	*	.	H	α-helix	trans	-78.4	-34	-179.5	-65.6	-32	0	0	0	113.1	Q162	Q162-D166 PolarHBondContact O-N 3.4Å; Q162-D166 VanDerWaalsContact O-N 3.08Å
167	N	80.7	Confident	83.2	Confident	113 Å²	113	71.1 Å²	71.1	60%	0.604	35%	0.351	S	S	*	.			trans	-156.4	121.7	177.9	-88.3	-75.6	0	0	0	111.5	S163 L164 R169	S163-N167 CarbonylContact O-C 3.59Å; S163-N167 PolarHBondContact O-N 2.88Å; L164-N167 WeakPolarHBondContact CA-O 3.43Å; N167-R169 PolarHBondContact O-N 3.49Å
168	N	82.8	Confident	82.4	Confident	87 Å²	87	72.8 Å²	72.8	47%	0.465	37%	0.365	S	S	.	.	S	Bend	trans	-69.8	42.1	-179.2	-54.2	43.8	0	0	0	114.7	V176 V177	N168-V176 WeakPolarHBondContact O-CA 3.45Å; N168-V176 WeakPolarHBondContact O-CG1 3.39Å; N168-V177 PolarHBondContact O-N 3.17Å
169	R	82.4	Confident	81.8	Confident	112 Å²	112	69.7 Å²	69.7	42%	0.423	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-138.2	140.9	-177.9	-63.9	-173.1	176.8	-96.8	-1.5	111.6	N167 P171 N174 Y175 V176	N167-R169 PolarHBondContact O-N 3.49Å; R169-P171 WeakPolarHBondContact O-CD 3.47Å; R169-N174 WeakPolarHBondContact CD-OD1 3.44Å; R169-N174 PolarHBondContact NH1-O 3.19Å; R169-Y175 CarbonylContact C-O 3.56Å; R169-Y175 VanDerWaalsContact CA-O 3.3Å; R169-Y175 WeakPolarHBondContact CA-O 3.24Å; R169-V176 HydrophobicContact CG-CG2 4.5Å
170	C	82.4	Confident	81	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.007	36%	0.361	C	S	.	.			trans	-62.7	122.1	175.7	178.1	0	0	0	0	111.4	C151 K172 C173 N174 Y175	C151-C170 PolarHBondContact SG-SG 3.15Å; C170-K172 PolarHBondContact O-N 3.29Å; C170-C173 PolarHBondContact O-N 3.08Å; C170-N174 VanDerWaalsContact O-CA 3.3Å; C170-N174 WeakPolarHBondContact O-CA 3.44Å; C170-N174 PolarHBondContact O-N 3.22Å; C170-Y175 PolarHBondContact N-O 3.45Å
171	P	82.6	Confident	80.4	Confident	66 Å²	66	77 Å²	77	43%	0.429	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-21.3	-177.2	-30.8	39.7	0	0	0	115.7	I138 F155 I160 S163 R169	I138-P171 HydrophobicContact CD1-CG 4.05Å; I138-P171 HydrophobicContact CG1-CB 4.37Å; I138-P171 HydrophobicContact CG1-CG 4.28Å; F155-P171 HydrophobicContact CE1-CB 4.36Å; I160-P171 HydrophobicContact CD1-CG 4.29Å; S163-P171 WeakPolarHBondContact OG-CG 3.31Å; R169-P171 WeakPolarHBondContact O-CD 3.47Å
172	K	80.1	Confident	79.8	Confident	130 Å²	130	77 Å²	77	57%	0.565	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-25.2	-175.6	-176	161.4	168.7	176.3	0	114.6	P137 H153 F155 C170	P137-K172 HydrophobicContact CG-CD 4.27Å; H153-K172 HydrophobicContact CB-CB 4.41Å; H153-K172 HydrophobicContact CB-CD 4.43Å; H153-K172 VanDerWaalsContact CD2-CD 3.42Å; H153-K172 WeakPolarHBondContact CD2-CD 3.31Å; F155-K172 HydrophobicContact CE1-CB 4.39Å; F155-K172 HydrophobicContact CZ-CB 3.93Å; C170-K172 PolarHBondContact O-N 3.29Å
173	C	82.4	Confident	79.7	Confident	61 Å²	61	72.9 Å²	72.9	41%	0.412	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.6	6.4	-178	66.7	0	0	0	0	115.1	C151 H153 C170 Y175	C151-C173 PolarHBondContact SG-SG 3.28Å; H153-C173 PolarHBondContact ND1-SG 3Å; H153-C173 VanDerWaalsContact ND1-SG 3.43Å; C170-C173 PolarHBondContact O-N 3.08Å; C173-Y175 PolarHBondContact O-N 2.79Å; C173-Y175 VanDerWaalsContact O-N 3.07Å
174	N	82.1	Confident	79.7	Confident	103 Å²	103	76.6 Å²	76.6	55%	0.551	38%	0.384	S	S	*	.			trans	61.7	12.7	176.5	-146.6	28.3	0	0	0	115.9	R169 C170	R169-N174 WeakPolarHBondContact CD-OD1 3.44Å; R169-N174 PolarHBondContact NH1-O 3.19Å; C170-N174 VanDerWaalsContact O-CA 3.3Å; C170-N174 WeakPolarHBondContact O-CA 3.44Å; C170-N174 PolarHBondContact O-N 3.22Å
175	Y	82.3	Confident	79.9	Confident	123 Å²	123	78.7 Å²	78.7	48%	0.482	40%	0.397	S	S	.	.			trans	-62.8	133.8	174.4	-176.5	-90.3	0	0	0	110.7	K150 C151 R169 C170 C173 V177	K150-Y175 HydrophobicContact CB-CE1 4.26Å; C151-Y175 HydrophobicContact CB-CD1 4.05Å; C151-Y175 HydrophobicContact CB-CD2 4.47Å; C151-Y175 HydrophobicContact CB-CG 3.9Å; R169-Y175 CarbonylContact C-O 3.56Å; R169-Y175 VanDerWaalsContact CA-O 3.3Å; R169-Y175 WeakPolarHBondContact CA-O 3.24Å; C170-Y175 PolarHBondContact N-O 3.45Å; C173-Y175 PolarHBondContact O-N 2.79Å; C173-Y175 VanDerWaalsContact O-N 3.07Å; Y175-V177 HydrophobicContact CD1-CG2 4.37Å
176	V	81.8	Confident	80	Confident	51 Å²	51	74.9 Å²	74.9	31%	0.309	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-72.4	132.2	-176.8	-170	0	0	0	0	110.4	N168 R169 D178	N168-V176 WeakPolarHBondContact O-CA 3.45Å; N168-V176 WeakPolarHBondContact O-CG1 3.39Å; R169-V176 HydrophobicContact CG-CG2 4.5Å; V176-D178 WeakPolarHBondContact CG1-OD1 3.38Å
177	V	81.2	Confident	80.2	Confident	5 Å²	5	76.9 Å²	76.9	3%	0.03	38%	0.384	C	S	.	.			trans	-120.9	90.7	176.8	-175.7	0	0	0	0	107.2	T149 L164 N168 Y175 N179 H182	T149-V177 HydrophobicContact CG2-CG2 4.32Å; L164-V177 HydrophobicContact CD1-CB 4.22Å; L164-V177 HydrophobicContact CD1-CG1 3.83Å; L164-V177 HydrophobicContact CD2-CB 3.85Å; L164-V177 HydrophobicContact CD2-CG1 4.38Å; L164-V177 HydrophobicContact CD2-CG2 4.29Å; N168-V177 PolarHBondContact O-N 3.17Å; Y175-V177 HydrophobicContact CD1-CG2 4.37Å; V177-N179 PolarHBondContact O-N 3.26Å; V177-N179 VanDerWaalsContact O-N 3.16Å; V177-H182 HydrophobicContact CG1-CB 4.03Å
178	D	70	Confident	80.2	Confident	115 Å²	115	77.5 Å²	77.5	62%	0.615	39%	0.387	S	S	*	.			trans	-68.3	-15.2	-166.5	-50.2	-71.8	0	0	0	115	V176	V176-D178 WeakPolarHBondContact CG1-OD1 3.38Å
179	N	74.1	Confident	80.1	Confident	75 Å²	75	74.5 Å²	74.5	40%	0.401	37%	0.371	S	S	.	.			trans	-153.9	147.5	-178.6	-170.6	9.9	0	0	0	110.7	V177 D181 H182	V177-N179 PolarHBondContact O-N 3.26Å; V177-N179 VanDerWaalsContact O-N 3.16Å; N179-D181 VanDerWaalsContact C-N 3.26Å; N179-D181 PolarHBondContact ND2-OD2 2.87Å; N179-D181 PolarHBondContact O-N 2.9Å; N179-H182 VanDerWaalsContact O-CB 3.3Å; N179-H182 WeakPolarHBondContact O-CB 3.43Å; N179-H182 PolarHBondContact O-N 3.14Å; N179-H182 VanDerWaalsContact O-N 3.14Å
180	I	71	Confident	80.1	Confident	60 Å²	60	70.9 Å²	70.9	31%	0.308	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-65.5	-29.4	-179.2	-63.1	175.8	0	0	0	111.3	H182 L183	I180-H182 PolarHBondContact O-N 3.35Å; I180-L183 HydrophobicContact CG2-CD1 4.24Å; I180-L183 WeakPolarHBondContact O-CB 3.44Å; I180-L183 PolarHBondContact O-N 3.02Å
181	D	72.8	Confident	80.1	Confident	121 Å²	121	75.7 Å²	75.7	65%	0.647	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-60.2	-6.4	172.4	-58.5	-41.9	0	0	0	114.2	N179	N179-D181 VanDerWaalsContact C-N 3.26Å; N179-D181 PolarHBondContact ND2-OD2 2.87Å; N179-D181 PolarHBondContact O-N 2.9Å
182	H	73.8	Confident	80.1	Confident	45 Å²	45	75.9 Å²	75.9	21%	0.208	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-94.1	12.6	173.8	-59.5	151.5	0	0	0	113.9	K150 V177 N179 I180 Y184	K150-H182 HydrophobicContact CD-CB 4.05Å; K150-H182 WeakPolarHBondContact CE-CD2 3.49Å; K150-H182 VanDerWaalsContact CE-CG 3.43Å; K150-H182 HydrophobicContact CG-CB 4.23Å; K150-H182 PolarHBondContact NZ-CD2 2.87Å; K150-H182 PolarHBondContact NZ-CE1 3.21Å; K150-H182 VanDerWaalsContact NZ-CG 3.29Å; K150-H182 PolarHBondContact NZ-ND1 3.36Å; K150-H182 PolarHBondContact NZ-NE2 2.97Å; V177-H182 HydrophobicContact CG1-CB 4.03Å; N179-H182 VanDerWaalsContact O-CB 3.3Å; N179-H182 WeakPolarHBondContact O-CB 3.43Å; N179-H182 PolarHBondContact O-N 3.14Å; N179-H182 VanDerWaalsContact O-N 3.14Å; I180-H182 PolarHBondContact O-N 3.35Å; H182-Y184 WeakPolarHBondContact O-CE2 3.38Å
183	L	83	Confident	80.1	Confident	14 Å²	14	70 Å²	70	7%	0.073	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.4	166	-66	177	0	0	0	110.5	Y147 T149 I160 L164 I180	Y147-L183 HydrophobicContact CD1-CB 4.08Å; T149-L183 HydrophobicContact CG2-CD2 3.72Å; I160-L183 HydrophobicContact CG1-CD2 3.77Å; I160-L183 HydrophobicContact CG2-CD1 3.94Å; I160-L183 HydrophobicContact CG2-CD2 4.01Å; L164-L183 HydrophobicContact CD1-CD1 4.13Å; L164-L183 HydrophobicContact CD1-CD2 3.91Å; L164-L183 HydrophobicContact CD1-CG 4.1Å; I180-L183 HydrophobicContact CG2-CD1 4.24Å; I180-L183 WeakPolarHBondContact O-CB 3.44Å; I180-L183 PolarHBondContact O-N 3.02Å
184	Y	83.7	Confident	79.9	Confident	106 Å²	106	71.7 Å²	71.7	42%	0.416	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.4	-179.3	-55.7	-78.3	0	0	0	110.5	Y147 M148 K150 H182 N186	Y147-Y184 CarbonylContact C-O 3.54Å; Y147-Y184 WeakPolarHBondContact CA-O 3.3Å; M148-Y184 WeakPolarHBondContact CG-O 3.41Å; M148-Y184 PolarHBondContact N-O 3.43Å; M148-Y184 PolarHBondContact O-N 3.43Å; K150-Y184 HydrophobicContact CG-CE2 3.9Å; H182-Y184 WeakPolarHBondContact O-CE2 3.38Å; Y184-N186 PolarHBondContact O-N 2.86Å
185	P	85.5	Confident	79.8	Confident	51 Å²	51	71.7 Å²	71.7	33%	0.331	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	127.8	174.1	-16.8	27.3	0	0	0	111.1	Y147 F187	Y147-P185 HydrophobicContact CD1-CG 4.32Å; Y147-P185 HydrophobicContact CE1-CB 4.19Å; Y147-P185 HydrophobicContact CE1-CG 3.66Å; Y147-P185 HydrophobicContact CE2-CB 4.41Å; P185-F187 HydrophobicContact CB-CD2 4.34Å; P185-F187 HydrophobicContact CB-CE1 4.23Å; P185-F187 HydrophobicContact CB-CE2 3.77Å; P185-F187 HydrophobicContact CB-CZ 3.7Å; P185-F187 HydrophobicContact CG-CE2 4.34Å; P185-F187 HydrophobicContact CG-CZ 4.2Å; P185-F187 PolarHBondContact O-N 3.38Å
186	N	84.5	Confident	79.5	Confident	23 Å²	23	67.8 Å²	67.8	12%	0.123	34%	0.341	C	S	.	.			trans	-97.9	75.6	-179.9	-167.6	-17.3	0	0	0	110.8	A146 M148 S154 Y184 L188 V189 N190	A146-N186 HydrophobicContact CB-CB 4.1Å; A146-N186 PolarHBondContact O-N 3.01Å; M148-N186 HydrophobicContact CB-CB 4.32Å; M148-N186 HydrophobicContact CG-CB 4.36Å; M148-N186 HydrophobicContact SD-CB 4.42Å; S154-N186 PolarHBondContact OG-ND2 2.96Å; Y184-N186 PolarHBondContact O-N 2.86Å; N186-L188 PolarHBondContact O-N 2.84Å; N186-V189 HydrophobicContact CB-CB 4.32Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.42Å; N186-V189 PolarHBondContact O-N 2.96Å; N186-V189 VanDerWaalsContact O-N 3.14Å; N186-V189 PolarHBondContact OD1-N 3.22Å; N186-N190 PolarHBondContact O-N 3.22Å; N186-N190 VanDerWaalsContact O-N 3.09Å
187	F	85.4	Confident	79.1	Confident	153 Å²	153	69 Å²	69	67%	0.671	34%	0.342	S	S	*	.	H	α-helix	trans	-55.9	-33.4	-179.1	-60.1	-75.9	0	0	0	113.6	P185 N190 E191	P185-F187 HydrophobicContact CB-CD2 4.34Å; P185-F187 HydrophobicContact CB-CE1 4.23Å; P185-F187 HydrophobicContact CB-CE2 3.77Å; P185-F187 HydrophobicContact CB-CZ 3.7Å; P185-F187 HydrophobicContact CG-CE2 4.34Å; P185-F187 HydrophobicContact CG-CZ 4.2Å; P185-F187 PolarHBondContact O-N 3.38Å; F187-N190 PolarHBondContact O-N 2.98Å; F187-E191 PolarHBondContact O-N 2.96Å
188	L	80.3	Confident	78.7	Confident	125 Å²	125	74.2 Å²	74.2	65%	0.654	37%	0.366	S	S	*	.	H	α-helix	trans	-67.1	-42.5	178.6	-178.5	63.6	0	0	0	111.8	N186 E191 L192	N186-L188 PolarHBondContact O-N 2.84Å; L188-E191 PolarHBondContact O-N 3.08Å; L188-L192 HydrophobicContact CG-CD1 4.32Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.08Å; L188-L192 PolarHBondContact O-N 2.87Å
189	V	81.1	Confident	78.6	Confident	24 Å²	24	74.8 Å²	74.8	15%	0.145	36%	0.359	C	S	.	.	H	α-helix	trans	-67.5	-39	175.2	171	0	0	0	0	110.7	F134 A146 N186 L192 I193	F134-V189 HydrophobicContact CD1-CG1 4.49Å; A146-V189 HydrophobicContact CB-CB 3.9Å; A146-V189 HydrophobicContact CB-CG1 3.63Å; N186-V189 HydrophobicContact CB-CB 4.32Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.42Å; N186-V189 PolarHBondContact O-N 2.96Å; N186-V189 VanDerWaalsContact O-N 3.14Å; N186-V189 PolarHBondContact OD1-N 3.22Å; V189-L192 PolarHBondContact O-N 2.82Å; V189-I193 HydrophobicContact CG1-CD1 3.65Å; V189-I193 HydrophobicContact CG1-CG1 4.23Å; V189-I193 WeakPolarHBondContact O-CB 3.3Å; V189-I193 VanDerWaalsContact O-CG1 3.23Å; V189-I193 WeakPolarHBondContact O-CG1 3.5Å; V189-I193 PolarHBondContact O-N 3.32Å
190	N	82.5	Confident	78	Confident	37 Å²	37	77.9 Å²	77.9	20%	0.198	37%	0.369	C	S	.	.	H	α-helix	trans	-59.8	-46.8	174.5	-69.4	-28.2	0	0	0	112.4	A146 N186 F187 L192 I193 L194	A146-N190 WeakPolarHBondContact CB-OD1 3.27Å; A146-N190 PolarHBondContact N-OD1 3.32Å; N186-N190 PolarHBondContact O-N 3.22Å; N186-N190 VanDerWaalsContact O-N 3.09Å; F187-N190 PolarHBondContact O-N 2.98Å; N190-L192 PolarHBondContact O-N 3.42Å; N190-I193 PolarHBondContact O-N 3.41Å; N190-L194 WeakPolarHBondContact O-CG 3.46Å; N190-L194 PolarHBondContact O-N 2.69Å
191	E	82.2	Confident	77.5	Confident	101 Å²	101	80.8 Å²	80.8	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-56.6	-46.2	173.5	-103.6	-76.6	140.1	0	0	112.5	F187 L188 L194 K195	F187-E191 PolarHBondContact O-N 2.96Å; L188-E191 PolarHBondContact O-N 3.08Å; E191-L194 PolarHBondContact O-N 3.02Å; E191-K195 PolarHBondContact O-N 2.91Å; E191-K195 IonicContact OE2-NZ 2.71Å; E191-K195 PolarHBondContact OE2-NZ 2.98Å
192	L	81.8	Confident	76.7	Confident	71 Å²	71	80.2 Å²	80.2	37%	0.372	38%	0.375	S	S	.	.	H	α-helix	trans	-66.6	-37.2	179.7	-71.3	172	0	0	0	112.2	F134 L188 V189 N190 K195 Q196	F134-L192 HydrophobicContact CE1-CB 3.6Å; F134-L192 HydrophobicContact CE1-CD1 4.3Å; F134-L192 HydrophobicContact CZ-CB 3.9Å; L188-L192 HydrophobicContact CG-CD1 4.32Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.08Å; L188-L192 PolarHBondContact O-N 2.87Å; V189-L192 PolarHBondContact O-N 2.82Å; N190-L192 PolarHBondContact O-N 3.42Å; L192-K195 CarbonylContact O-C 3.5Å; L192-K195 PolarHBondContact O-N 2.92Å; L192-Q196 WeakPolarHBondContact O-CB 3.22Å; L192-Q196 PolarHBondContact O-N 2.92Å
193	I	80.8	Confident	75.7	Confident	5 Å²	5	85 Å²	85	3%	0.026	40%	0.395	C	S	.	.	H	α-helix	trans	-67.6	-42	175.7	-71.4	175.5	0	0	0	111.2	F134 M142 I143 V189 N190 K195 Q196 K197	F134-I193 HydrophobicContact CB-CD1 4.2Å; F134-I193 HydrophobicContact CB-CG1 3.89Å; F134-I193 HydrophobicContact CD1-CD1 4.12Å; F134-I193 HydrophobicContact CD1-CG1 3.46Å; F134-I193 VanDerWaalsContact CD1-CG1 3.46Å; F134-I193 HydrophobicContact CE1-CG1 4.28Å; F134-I193 HydrophobicContact CG-CG1 3.89Å; M142-I193 HydrophobicContact CG-CG2 3.99Å; M142-I193 HydrophobicContact SD-CG2 3.88Å; I143-I193 HydrophobicContact CB-CD1 3.66Å; I143-I193 HydrophobicContact CG2-CD1 4.32Å; I143-I193 WeakPolarHBondContact O-CD1 3.43Å; V189-I193 HydrophobicContact CG1-CD1 3.65Å; V189-I193 HydrophobicContact CG1-CG1 4.23Å; V189-I193 WeakPolarHBondContact O-CB 3.3Å; V189-I193 VanDerWaalsContact O-CG1 3.23Å; V189-I193 WeakPolarHBondContact O-CG1 3.5Å; V189-I193 PolarHBondContact O-N 3.32Å; N190-I193 PolarHBondContact O-N 3.41Å; I193-K195 PolarHBondContact O-N 3.42Å; I193-Q196 WeakPolarHBondContact O-CA 3.41Å; I193-Q196 WeakPolarHBondContact O-CB 3.42Å; I193-Q196 PolarHBondContact O-N 3.26Å; I193-K197 HydrophobicContact CG2-CD 4.28Å; I193-K197 HydrophobicContact CG2-CG 4.49Å; I193-K197 WeakPolarHBondContact O-CG 3.24Å; I193-K197 PolarHBondContact O-N 3.23Å
194	L	78.9	Confident	74.2	Confident	98 Å²	98	92.5 Å²	92.5	51%	0.513	42%	0.423	S	S	.	.	H	α-helix	trans	-61.2	-44.5	174.3	-71.2	168	0	0	0	111.2	N190 E191 Q196 K197 Q198	N190-L194 WeakPolarHBondContact O-CG 3.46Å; N190-L194 PolarHBondContact O-N 2.69Å; E191-L194 PolarHBondContact O-N 3.02Å; L194-Q196 VanDerWaalsContact C-N 3.28Å; L194-Q196 PolarHBondContact O-N 2.99Å; L194-K197 PolarHBondContact O-N 3.03Å; L194-Q198 WeakPolarHBondContact O-CG 3.45Å; L194-Q198 PolarHBondContact O-N 3.4Å
195	K	79.8	Confident	72.2	Confident	102 Å²	102	95 Å²	95	44%	0.443	44%	0.436	S	S	.	.	H	α-helix	trans	-66.3	-24.4	171.5	-84.4	174	178.7	125.1	0	114.1	E191 L192 I193 R199	E191-K195 PolarHBondContact O-N 2.91Å; E191-K195 IonicContact OE2-NZ 2.71Å; E191-K195 PolarHBondContact OE2-NZ 2.98Å; L192-K195 CarbonylContact O-C 3.5Å; L192-K195 PolarHBondContact O-N 2.92Å; I193-K195 PolarHBondContact O-N 3.42Å; K195-R199 WeakPolarHBondContact O-CB 3.42Å; K195-R199 VanDerWaalsContact O-CG 3.31Å; K195-R199 WeakPolarHBondContact O-CG 3.27Å; K195-R199 PolarHBondContact O-N 2.97Å; K195-R199 PolarHBondContact O-NE 3.5Å
196	Q	75.8	Confident	70.1	Confident	42 Å²	42	99.4 Å²	99.4	20%	0.196	45%	0.45	C	S	.	.	H	α-helix	trans	-73.5	-46.9	172.7	-166.1	89.6	-22.9	0	0	109.9	K130 F134 L192 I193 L194 R199 F200	K130-Q196 PolarHBondContact O-NE2 3.38Å; F134-Q196 HydrophobicContact CD2-CG 4.15Å; F134-Q196 HydrophobicContact CE2-CG 4.45Å; L192-Q196 WeakPolarHBondContact O-CB 3.22Å; L192-Q196 PolarHBondContact O-N 2.92Å; I193-Q196 WeakPolarHBondContact O-CA 3.41Å; I193-Q196 WeakPolarHBondContact O-CB 3.42Å; I193-Q196 PolarHBondContact O-N 3.26Å; L194-Q196 VanDerWaalsContact C-N 3.28Å; L194-Q196 PolarHBondContact O-N 2.99Å; Q196-R199 PolarHBondContact O-N 3.12Å; Q196-R199 VanDerWaalsContact OE1-NH2 3.11Å; Q196-F200 PolarHBondContact O-N 3.05Å
197	K	72.5	Confident	68	Low	77 Å²	77	103.6 Å²	103.6	34%	0.335	47%	0.471	S	S	.	.	H	α-helix	trans	-59.5	-51.3	176.7	-71.8	179.3	178.3	-178.6	0	111.4	M142 I193 L194 R199 F200 E201	M142-K197 HydrophobicContact SD-CD 4.2Å; M142-K197 WeakPolarHBondContact SD-CE 3.49Å; M142-K197 HydrophobicContact SD-CG 3.71Å; I193-K197 HydrophobicContact CG2-CD 4.28Å; I193-K197 HydrophobicContact CG2-CG 4.49Å; I193-K197 WeakPolarHBondContact O-CG 3.24Å; I193-K197 PolarHBondContact O-N 3.23Å; L194-K197 PolarHBondContact O-N 3.03Å; K197-R199 PolarHBondContact O-N 3.25Å; K197-F200 WeakPolarHBondContact O-CA 3.45Å; K197-F200 VanDerWaalsContact O-CB 3.29Å; K197-F200 WeakPolarHBondContact O-CB 3.46Å; K197-F200 PolarHBondContact O-N 3.5Å; K197-E201 PolarHBondContact O-N 3.38Å
198	Q	72.3	Confident	65.6	Low	113 Å²	113	101.4 Å²	101.4	53%	0.528	47%	0.467	S	S	.	.	H	α-helix	trans	-57.4	-44.7	175.9	-73.7	176.3	-12.5	0	0	112.7	L194 F200 E201 E202	L194-Q198 WeakPolarHBondContact O-CG 3.45Å; L194-Q198 PolarHBondContact O-N 3.4Å; Q198-F200 PolarHBondContact O-N 3.21Å; Q198-E201 PolarHBondContact O-N 3.35Å; Q198-E202 WeakPolarHBondContact O-CG 3.3Å; Q198-E202 PolarHBondContact O-N 3.48Å
199	R	68.4	Low	63.7	Low	128 Å²	128	103.3 Å²	103.3	48%	0.483	47%	0.472	S	S	.	.	H	α-helix	trans	-67.3	-20.1	175.3	-76.1	-178.4	-65.3	168	4	113.5	K195 Q196 K197 K203	K195-R199 WeakPolarHBondContact O-CB 3.42Å; K195-R199 VanDerWaalsContact O-CG 3.31Å; K195-R199 WeakPolarHBondContact O-CG 3.27Å; K195-R199 PolarHBondContact O-N 2.97Å; K195-R199 PolarHBondContact O-NE 3.5Å; Q196-R199 PolarHBondContact O-N 3.12Å; Q196-R199 VanDerWaalsContact OE1-NH2 3.11Å; K197-R199 PolarHBondContact O-N 3.25Å; R199-K203 WeakPolarHBondContact O-CB 2.81Å; R199-K203 WeakPolarHBondContact O-CD 3.36Å; R199-K203 WeakPolarHBondContact O-CG 3.34Å; R199-K203 PolarHBondContact O-N 3.35Å
200	F	62.3	Low	61.7	Low	139 Å²	139	106.5 Å²	106.5	61%	0.61	50%	0.495	S	S	*	.	H	α-helix	trans	-80.4	-38.7	173.3	-146	-86.8	0	0	0	111.1	Q196 K197 Q198 K203 R204	Q196-F200 PolarHBondContact O-N 3.05Å; K197-F200 WeakPolarHBondContact O-CA 3.45Å; K197-F200 VanDerWaalsContact O-CB 3.29Å; K197-F200 WeakPolarHBondContact O-CB 3.46Å; K197-F200 PolarHBondContact O-N 3.5Å; Q198-F200 PolarHBondContact O-N 3.21Å; F200-K203 WeakPolarHBondContact O-CB 3.38Å; F200-K203 PolarHBondContact O-N 2.94Å; F200-R204 PolarHBondContact O-N 3.01Å
201	E	59	Low	59.6	Low	122 Å²	122	107.9 Å²	107.9	57%	0.57	51%	0.505	S	S	*	.	H	α-helix	trans	-66.9	-45.6	173.6	-68.9	168.5	159.2	0	0	111.9	K197 Q198 K203 R204 F205	K197-E201 PolarHBondContact O-N 3.38Å; Q198-E201 PolarHBondContact O-N 3.35Å; E201-K203 PolarHBondContact O-N 3.48Å; E201-R204 WeakPolarHBondContact O-CB 3.33Å; E201-R204 PolarHBondContact O-N 2.77Å; E201-R204 VanDerWaalsContact O-N 3.09Å; E201-F205 PolarHBondContact O-N 3.25Å
202	E	56.2	Low	57.6	Low	108 Å²	108	106.8 Å²	106.8	51%	0.505	51%	0.508	S	S	.	.	H	α-helix	trans	-59	-33.4	171.6	-75	-174.5	178.3	0	0	112.6	Q198 K206	Q198-E202 WeakPolarHBondContact O-CG 3.3Å; Q198-E202 PolarHBondContact O-N 3.48Å; E202-K206 WeakPolarHBondContact O-CB 3.29Å; E202-K206 WeakPolarHBondContact O-CG 3.36Å; E202-K206 PolarHBondContact O-N 2.99Å
203	K	54.2	Low	55.9	Low	145 Å²	145	108.5 Å²	108.5	63%	0.63	53%	0.526	S	S	*	.	H	α-helix	trans	-71.2	-37.2	174.9	-83.7	175.9	179.6	-174.3	0	112.1	R199 F200 E201 K206 L207	R199-K203 WeakPolarHBondContact O-CB 2.81Å; R199-K203 WeakPolarHBondContact O-CD 3.36Å; R199-K203 WeakPolarHBondContact O-CG 3.34Å; R199-K203 PolarHBondContact O-N 3.35Å; F200-K203 WeakPolarHBondContact O-CB 3.38Å; F200-K203 PolarHBondContact O-N 2.94Å; E201-K203 PolarHBondContact O-N 3.48Å; K203-K206 PolarHBondContact O-N 3.32Å; K203-L207 WeakPolarHBondContact O-CB 3.42Å; K203-L207 PolarHBondContact O-N 3.1Å
204	R	50.8	Low	54.2	Low	173 Å²	173	113.4 Å²	113.4	65%	0.653	56%	0.557	S	S	*	*	H	α-helix	trans	-60.2	-51.7	171.1	-71.5	178.1	71.8	145.1	-0.6	110.2	F200 E201 K206 L207 D208	F200-R204 PolarHBondContact O-N 3.01Å; E201-R204 WeakPolarHBondContact O-CB 3.33Å; E201-R204 PolarHBondContact O-N 2.77Å; E201-R204 VanDerWaalsContact O-N 3.09Å; R204-K206 PolarHBondContact O-N 2.96Å; R204-K206 VanDerWaalsContact O-N 3.17Å; R204-L207 WeakPolarHBondContact O-CA 3.48Å; R204-L207 WeakPolarHBondContact O-CB 3.3Å; R204-L207 PolarHBondContact O-N 2.92Å; R204-D208 PolarHBondContact O-N 3.43Å
205	F	42.8	Very low	52.4	Low	157 Å²	157	112.8 Å²	112.8	69%	0.689	55%	0.554	S	S	*	*	H	α-helix	trans	-57.3	-32.9	177.9	-110.9	-87.3	0	0	0	114.2	E201	E201-F205 PolarHBondContact O-N 3.25Å
206	K	41.5	Very low	50.7	Low	145 Å²	145	108.6 Å²	108.6	63%	0.63	54%	0.54	S	S	*	.	H	α-helix	trans	-81.4	-22.1	174.8	-73.9	170.7	-177.9	162.9	0	113.9	E202 K203 R204	E202-K206 WeakPolarHBondContact O-CB 3.29Å; E202-K206 WeakPolarHBondContact O-CG 3.36Å; E202-K206 PolarHBondContact O-N 2.99Å; K203-K206 PolarHBondContact O-N 3.32Å; R204-K206 PolarHBondContact O-N 2.96Å; R204-K206 VanDerWaalsContact O-N 3.17Å
207	L	39.3	Very low	49.5	Very low	110 Å²	110	113.2 Å²	113.2	58%	0.576	56%	0.561	S	S	*	*	H	α-helix	trans	-76.3	-39.6	173.6	-145.3	73.9	0	0	0	110.8	K203 R204 H209 S210 V211	K203-L207 WeakPolarHBondContact O-CB 3.42Å; K203-L207 PolarHBondContact O-N 3.1Å; R204-L207 WeakPolarHBondContact O-CA 3.48Å; R204-L207 WeakPolarHBondContact O-CB 3.3Å; R204-L207 PolarHBondContact O-N 2.92Å; L207-H209 PolarHBondContact O-N 2.95Å; L207-S210 PolarHBondContact O-N 2.9Å; L207-S210 PolarHBondContact O-OG 2.85Å; L207-V211 HydrophobicContact CG-CG2 4.42Å; L207-V211 WeakPolarHBondContact O-CG2 3.3Å; L207-V211 PolarHBondContact O-N 2.98Å
208	D	35.5	Very low	48.2	Very low	107 Å²	107	118.5 Å²	118.5	57%	0.572	58%	0.579	S	S	*	*	H	α-helix	trans	-60.1	-31.3	178.4	-63.2	-32.9	0	0	0	112.5	R204	R204-D208 PolarHBondContact O-N 3.43Å
209	H	40.3	Very low	47	Very low	166 Å²	166	120.6 Å²	120.6	77%	0.769	58%	0.582	S	S	*	*	H	α-helix	trans	-78.5	-19.9	176.1	-96.4	61.5	0	0	0	115.3	L207	L207-H209 PolarHBondContact O-N 2.95Å
210	S	38.5	Very low	46.3	Very low	90 Å²	90	119.8 Å²	119.8	63%	0.629	58%	0.584	S	S	*	*	H	α-helix	trans	-101.2	-15.3	-178.9	57.9	0	0	0	0	114.2	L207	L207-S210 PolarHBondContact O-N 2.9Å; L207-S210 PolarHBondContact O-OG 2.85Å
211	V	38	Very low	46	Very low	67 Å²	67	118.4 Å²	118.4	41%	0.406	58%	0.582	S	S	.	*	H	α-helix	trans	-98.7	-6.6	-178.3	-179.7	0	0	0	0	113.2	L207 S213 N215	L207-V211 HydrophobicContact CG-CG2 4.42Å; L207-V211 WeakPolarHBondContact O-CG2 3.3Å; L207-V211 PolarHBondContact O-N 2.98Å; V211-S213 VanDerWaalsContact C-N 3.34Å; V211-S213 PolarHBondContact O-N 3.5Å; V211-N215 HydrophobicContact CG1-CB 4.39Å
212	S	40.5	Very low	45.7	Very low	77 Å²	77	116.8 Å²	116.8	54%	0.538	57%	0.573	S	S	.	*	H	α-helix	trans	-62	-30.8	-174	-169.4	0	0	0	0	114.9	T214 G216	S212-T214 VanDerWaalsContact C-N 3.32Å; S212-T214 PolarHBondContact O-N 3.09Å; S212-G216 WeakPolarHBondContact O-CA 3.21Å; S212-G216 PolarHBondContact O-N 3.48Å; S212-G216 VanDerWaalsContact O-N 3.09Å
213	S	47.2	Very low	45.7	Very low	107 Å²	107	116.6 Å²	116.6	75%	0.748	57%	0.572	S	S	*	*	H	α-helix	trans	-71.5	-12.3	-169.7	-168.2	0	0	0	0	116.5	V211	V211-S213 VanDerWaalsContact C-N 3.34Å; V211-S213 PolarHBondContact O-N 3.5Å
214	T	44.9	Very low	45.9	Very low	109 Å²	109	115.4 Å²	115.4	67%	0.669	57%	0.572	S	S	*	*	H	α-helix	trans	-133	-32.3	-178.9	56.1	0	0	0	0	114.1	S212	S212-T214 VanDerWaalsContact C-N 3.32Å; S212-T214 PolarHBondContact O-N 3.09Å
215	N	41.5	Very low	46.2	Very low	84 Å²	84	116.5 Å²	116.5	45%	0.449	58%	0.577	S	S	.	*	H	α-helix	trans	-91	-16.4	172.1	-85.5	-18.1	0	0	0	113.5	V211 H217 R218 W219	V211-N215 HydrophobicContact CG1-CB 4.39Å; N215-H217 PolarHBondContact O-N 3.34Å; N215-R218 PolarHBondContact O-N 3.37Å; N215-R218 VanDerWaalsContact O-N 3.09Å; N215-W219 PolarHBondContact O-N 2.67Å
216	G	43.8	Very low	47	Very low	14 Å²	14	111.6 Å²	111.6	14%	0.144	56%	0.557	C	S	.	*	H	α-helix	trans	-53.9	-52.1	175.6	0	0	0	0	0	111.8	S212 R218 W219 Q220	S212-G216 WeakPolarHBondContact O-CA 3.21Å; S212-G216 PolarHBondContact O-N 3.48Å; S212-G216 VanDerWaalsContact O-N 3.09Å; G216-R218 VanDerWaalsContact C-N 3.3Å; G216-R218 PolarHBondContact O-N 3.07Å; G216-W219 PolarHBondContact O-N 3.33Å; G216-Q220 PolarHBondContact O-N 3.03Å; G216-Q220 PolarHBondContact O-OE1 2.79Å
217	H	49.4	Very low	47.8	Very low	140 Å²	140	106.8 Å²	106.8	65%	0.648	55%	0.549	S	S	*	.	H	α-helix	trans	-56.5	-38.4	175.2	-72.4	-69.7	0	0	0	113.9	N215 I221	N215-H217 PolarHBondContact O-N 3.34Å; H217-I221 WeakPolarHBondContact O-CB 3.19Å; H217-I221 VanDerWaalsContact O-CD1 3.31Å; H217-I221 WeakPolarHBondContact O-CD1 3.3Å; H217-I221 WeakPolarHBondContact O-CG1 3.25Å; H217-I221 PolarHBondContact O-N 3.16Å
218	R	46.3	Very low	48.7	Very low	188 Å²	188	106.8 Å²	106.8	71%	0.709	55%	0.554	S	S	*	*	H	α-helix	trans	-68	-36.4	176.6	-93.9	-179.7	162.8	176.4	-5.7	112.4	N215 G216 F222	N215-R218 PolarHBondContact O-N 3.37Å; N215-R218 VanDerWaalsContact O-N 3.09Å; G216-R218 VanDerWaalsContact C-N 3.3Å; G216-R218 PolarHBondContact O-N 3.07Å; R218-F222 WeakPolarHBondContact O-CB 3.41Å; R218-F222 PolarHBondContact O-N 3.38Å
219	W	46.2	Very low	49.7	Very low	157 Å²	157	106.3 Å²	106.3	60%	0.595	55%	0.551	S	S	*	*	H	α-helix	trans	-79.9	-33.7	179.7	-153.7	-132.5	0	0	0	112.3	N215 G216 F222 Q223	N215-W219 PolarHBondContact O-N 2.67Å; G216-W219 PolarHBondContact O-N 3.33Å; W219-F222 HydrophobicContact CE3-CB 3.69Å; W219-F222 HydrophobicContact CE3-CD1 4.17Å; W219-F222 HydrophobicContact CE3-CG 4.04Å; W219-F222 HydrophobicContact CH2-CD1 4.01Å; W219-F222 HydrophobicContact CZ3-CB 3.88Å; W219-F222 AromaticContact CZ3-CD1 3.44Å; W219-F222 HydrophobicContact CZ3-CD1 3.44Å; W219-F222 VanDerWaalsContact CZ3-CD1 3.44Å; W219-F222 HydrophobicContact CZ3-CE1 4.09Å; W219-F222 AromaticContact CZ3-CG 3.73Å; W219-F222 HydrophobicContact CZ3-CG 3.73Å; W219-F222 PolarHBondContact O-N 2.73Å; W219-Q223 WeakPolarHBondContact O-CB 3.35Å; W219-Q223 WeakPolarHBondContact O-CG 3.25Å; W219-Q223 PolarHBondContact O-N 2.83Å
220	Q	53.8	Low	50.5	Low	110 Å²	110	105.2 Å²	105.2	51%	0.514	55%	0.546	S	S	.	.	H	α-helix	trans	-56.9	-50.1	165	-118	84.8	36.9	0	0	111.1	G216 F222 Q223 D224	G216-Q220 PolarHBondContact O-N 3.03Å; G216-Q220 PolarHBondContact O-OE1 2.79Å; Q220-F222 VanDerWaalsContact C-N 3.29Å; Q220-F222 PolarHBondContact O-N 3.24Å; Q220-Q223 PolarHBondContact O-N 3.28Å; Q220-Q223 VanDerWaalsContact O-N 3.13Å; Q220-D224 PolarHBondContact O-N 2.82Å
221	I	56.8	Low	51.5	Low	111 Å²	111	109.1 Å²	109.1	57%	0.569	56%	0.56	S	S	*	*	H	α-helix	trans	-60.2	-39.9	177.7	-70.2	162.3	0	0	0	111.1	H217 W225	H217-I221 WeakPolarHBondContact O-CB 3.19Å; H217-I221 VanDerWaalsContact O-CD1 3.31Å; H217-I221 WeakPolarHBondContact O-CD1 3.3Å; H217-I221 WeakPolarHBondContact O-CG1 3.25Å; H217-I221 PolarHBondContact O-N 3.16Å; I221-W225 VanDerWaalsContact O-CB 3.3Å; I221-W225 WeakPolarHBondContact O-CB 3.28Å; I221-W225 PolarHBondContact O-N 3.14Å
222	F	51.4	Low	52.4	Low	87 Å²	87	112.2 Å²	112.2	38%	0.382	57%	0.574	S	S	.	*	H	α-helix	trans	-69.2	-33.6	177.6	-144.4	-95.1	0	0	0	112.4	R218 W219 Q220 L226	R218-F222 WeakPolarHBondContact O-CB 3.41Å; R218-F222 PolarHBondContact O-N 3.38Å; W219-F222 HydrophobicContact CE3-CB 3.69Å; W219-F222 HydrophobicContact CE3-CD1 4.17Å; W219-F222 HydrophobicContact CE3-CG 4.04Å; W219-F222 HydrophobicContact CH2-CD1 4.01Å; W219-F222 HydrophobicContact CZ3-CB 3.88Å; W219-F222 AromaticContact CZ3-CD1 3.44Å; W219-F222 HydrophobicContact CZ3-CD1 3.44Å; W219-F222 VanDerWaalsContact CZ3-CD1 3.44Å; W219-F222 HydrophobicContact CZ3-CE1 4.09Å; W219-F222 AromaticContact CZ3-CG 3.73Å; W219-F222 HydrophobicContact CZ3-CG 3.73Å; W219-F222 PolarHBondContact O-N 2.73Å; Q220-F222 VanDerWaalsContact C-N 3.29Å; Q220-F222 PolarHBondContact O-N 3.24Å; F222-L226 HydrophobicContact CD1-CD1 3.67Å; F222-L226 HydrophobicContact CD1-CG 4.4Å; F222-L226 HydrophobicContact CE1-CD1 3.88Å; F222-L226 WeakPolarHBondContact O-CB 3.4Å; F222-L226 WeakPolarHBondContact O-CG 3.34Å; F222-L226 PolarHBondContact O-N 3.49Å
223	Q	55.9	Low	53.6	Low	105 Å²	105	111.6 Å²	111.6	49%	0.491	57%	0.565	S	S	.	*	H	α-helix	trans	-72	-42.6	173.8	-77	-179.4	-31.4	0	0	112.4	W219 Q220 W225 L226 G227	W219-Q223 WeakPolarHBondContact O-CB 3.35Å; W219-Q223 WeakPolarHBondContact O-CG 3.25Å; W219-Q223 PolarHBondContact O-N 2.83Å; Q220-Q223 PolarHBondContact O-N 3.28Å; Q220-Q223 VanDerWaalsContact O-N 3.13Å; Q223-W225 VanDerWaalsContact C-N 3.28Å; Q223-W225 PolarHBondContact O-N 2.83Å; Q223-L226 PolarHBondContact O-N 3.46Å; Q223-G227 PolarHBondContact O-N 3.27Å
224	D	60.4	Low	54.7	Low	119 Å²	119	110.8 Å²	110.8	64%	0.636	55%	0.552	S	S	*	*	H	α-helix	trans	-60.9	-39.4	173.7	-77.9	-15.1	0	0	0	111	Q220 G227	Q220-D224 PolarHBondContact O-N 2.82Å; D224-G227 PolarHBondContact O-N 3.01Å
225	W	56.3	Low	56	Low	196 Å²	196	112 Å²	112	74%	0.742	55%	0.554	S	S	*	*	H	α-helix	trans	-74.2	-30.9	-179.9	-150.6	81.8	0	0	0	113.6	I221 Q223 T228	I221-W225 VanDerWaalsContact O-CB 3.3Å; I221-W225 WeakPolarHBondContact O-CB 3.28Å; I221-W225 PolarHBondContact O-N 3.14Å; Q223-W225 VanDerWaalsContact C-N 3.28Å; Q223-W225 PolarHBondContact O-N 2.83Å; W225-T228 PolarHBondContact O-OG1 3.42Å
226	L	58.4	Low	57.6	Low	55 Å²	55	110.9 Å²	110.9	29%	0.288	56%	0.556	S	S	.	*	H	α-helix	trans	-79.3	-32	171.7	-79.4	166.6	0	0	0	112.5	F222 Q223 T228 D229 Q230 L233 M241	F222-L226 HydrophobicContact CD1-CD1 3.67Å; F222-L226 HydrophobicContact CD1-CG 4.4Å; F222-L226 HydrophobicContact CE1-CD1 3.88Å; F222-L226 WeakPolarHBondContact O-CB 3.4Å; F222-L226 WeakPolarHBondContact O-CG 3.34Å; F222-L226 PolarHBondContact O-N 3.49Å; Q223-L226 PolarHBondContact O-N 3.46Å; L226-T228 VanDerWaalsContact C-N 3.28Å; L226-T228 PolarHBondContact O-N 2.95Å; L226-D229 PolarHBondContact O-N 2.89Å; L226-Q230 PolarHBondContact O-N 2.88Å; L226-L233 HydrophobicContact CD2-CD2 4.34Å; L226-M241 HydrophobicContact CD2-CE 4.17Å
227	G	59	Low	59.2	Low	44 Å²	44	113.6 Å²	113.6	45%	0.454	57%	0.567	S	S	.	*	H	α-helix	trans	-69.5	-21.4	-176.6	0	0	0	0	0	114.2	Q223 D224	Q223-G227 PolarHBondContact O-N 3.27Å; D224-G227 PolarHBondContact O-N 3.01Å
228	T	58.6	Low	60.5	Low	110 Å²	110	109.6 Å²	109.6	68%	0.675	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-18.6	178.4	46.8	0	0	0	0	114.9	W225 L226	W225-T228 PolarHBondContact O-OG1 3.42Å; L226-T228 VanDerWaalsContact C-N 3.28Å; L226-T228 PolarHBondContact O-N 2.95Å
229	D	56.6	Low	61.9	Low	96 Å²	96	105 Å²	105	51%	0.513	54%	0.542	S	S	.	.	S	Bend	trans	-124.6	12.4	-177.1	-92.9	-45.4	0	0	0	113.1	L226 D231 N232 L233	L226-D229 PolarHBondContact O-N 2.89Å; D229-D231 PolarHBondContact O-N 3.15Å; D229-D231 VanDerWaalsContact O-N 3.09Å; D229-N232 PolarHBondContact O-N 3.19Å; D229-L233 HydrophobicContact CB-CD1 4.11Å; D229-L233 WeakPolarHBondContact O-CD1 3.19Å
230	Q	57.3	Low	63.6	Low	144 Å²	144	102.1 Å²	102.1	67%	0.673	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.1	-168.8	-161.2	157	16.5	0	0	114.3	L226 N232	L226-Q230 PolarHBondContact O-N 2.88Å; Q230-N232 VanDerWaalsContact C-N 3.32Å; Q230-N232 PolarHBondContact O-N 3.43Å
231	D	58.4	Low	64.7	Low	172 Å²	172	100 Å²	100	92%	0.92	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-6	176.5	-67.3	-30.1	0	0	0	114	D229	D229-D231 PolarHBondContact O-N 3.15Å; D229-D231 VanDerWaalsContact O-N 3.09Å
232	N	57.2	Low	65.7	Low	131 Å²	131	99.3 Å²	99.3	70%	0.701	53%	0.526	S	S	*	.	S	Bend	trans	-121.2	1.2	-175.2	-111.9	-13.5	0	0	0	114.5	D229 Q230 D234	D229-N232 PolarHBondContact O-N 3.19Å; Q230-N232 VanDerWaalsContact C-N 3.32Å; Q230-N232 PolarHBondContact O-N 3.43Å; N232-D234 PolarHBondContact O-N 3.27Å
233	L	65.5	Low	67.2	Low	64 Å²	64	101.6 Å²	101.6	34%	0.335	54%	0.538	S	S	.	.			trans	-84.5	95.6	175.9	-93.7	74.6	0	0	0	111.2	L226 D229 N237 V238 M241	L226-L233 HydrophobicContact CD2-CD2 4.34Å; D229-L233 HydrophobicContact CB-CD1 4.11Å; D229-L233 WeakPolarHBondContact O-CD1 3.19Å; L233-N237 HydrophobicContact CG-CB 4.47Å; L233-V238 HydrophobicContact CB-CG2 4.34Å; L233-V238 HydrophobicContact CD2-CG2 4.21Å; L233-M241 HydrophobicContact CD2-SD 4.03Å
234	D	70.4	Confident	68.3	Low	90 Å²	90	101 Å²	101	48%	0.481	54%	0.537	S	S	.	.			trans	-68.9	169	165.3	78	9.6	0	0	0	112.5	N232 A236 N237 V238	N232-D234 PolarHBondContact O-N 3.27Å; D234-A236 PolarHBondContact O-N 3.07Å; D234-A236 WeakPolarHBondContact OD1-CA 3.45Å; D234-A236 WeakPolarHBondContact OD1-CB 3.3Å; D234-A236 PolarHBondContact OD1-N 3.35Å; D234-N237 PolarHBondContact O-N 3.42Å; D234-N237 WeakPolarHBondContact OD1-CB 3.49Å; D234-N237 VanDerWaalsContact OD1-CG 3.31Å; D234-N237 PolarHBondContact OD1-N 3.37Å; D234-N237 PolarHBondContact OD1-ND2 3.04Å; D234-V238 PolarHBondContact O-N 3.02Å
235	L	72.2	Confident	69	Low	135 Å²	135	100 Å²	100	71%	0.707	53%	0.532	S	S	*	.	H	α-helix	trans	-63.9	-24.2	-179	-168.4	67.6	0	0	0	112.7	N239	L235-N239 WeakPolarHBondContact O-CB 3.3Å; L235-N239 VanDerWaalsContact O-CG 3.31Å; L235-N239 PolarHBondContact O-N 3.49Å; L235-N239 VanDerWaalsContact O-N 3.08Å; L235-N239 PolarHBondContact O-ND2 3.37Å
236	A	75.1	Confident	70.2	Confident	60 Å²	60	94.3 Å²	94.3	50%	0.496	52%	0.518	S	S	.	.	H	α-helix	trans	-74	-42.9	178.1	0	0	0	0	0	111	D234 V238 N239 L240	D234-A236 PolarHBondContact O-N 3.07Å; D234-A236 WeakPolarHBondContact OD1-CA 3.45Å; D234-A236 WeakPolarHBondContact OD1-CB 3.3Å; D234-A236 PolarHBondContact OD1-N 3.35Å; A236-V238 PolarHBondContact O-N 2.81Å; A236-N239 PolarHBondContact O-N 3.06Å; A236-L240 WeakPolarHBondContact O-CB 3.39Å; A236-L240 PolarHBondContact O-N 3.26Å
237	N	76.9	Confident	71.6	Confident	72 Å²	72	97.7 Å²	97.7	39%	0.385	53%	0.532	S	S	.	.	H	α-helix	trans	-61.5	-42.2	174.3	-70.2	-25	0	0	0	111.5	L233 D234 L240 M241	L233-N237 HydrophobicContact CG-CB 4.47Å; D234-N237 PolarHBondContact O-N 3.42Å; D234-N237 WeakPolarHBondContact OD1-CB 3.49Å; D234-N237 VanDerWaalsContact OD1-CG 3.31Å; D234-N237 PolarHBondContact OD1-N 3.37Å; D234-N237 PolarHBondContact OD1-ND2 3.04Å; N237-L240 PolarHBondContact O-N 3.43Å; N237-M241 WeakPolarHBondContact O-CG 3.12Å; N237-M241 PolarHBondContact O-N 3.35Å
238	V	76.6	Confident	72.6	Confident	56 Å²	56	100.8 Å²	100.8	34%	0.339	53%	0.533	S	S	.	.	H	α-helix	trans	-63.3	-44.5	175	176.4	0	0	0	0	111.6	L233 D234 A236 M241 L242	L233-V238 HydrophobicContact CB-CG2 4.34Å; L233-V238 HydrophobicContact CD2-CG2 4.21Å; D234-V238 PolarHBondContact O-N 3.02Å; A236-V238 PolarHBondContact O-N 2.81Å; V238-M241 PolarHBondContact O-N 3.38Å; V238-L242 HydrophobicContact CG1-CD1 4.16Å; V238-L242 WeakPolarHBondContact O-CG 3.34Å; V238-L242 PolarHBondContact O-N 3.46Å
239	N	76.8	Confident	73.6	Confident	91 Å²	91	101.5 Å²	101.5	49%	0.487	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-41.1	176.8	-77.6	-28.8	0	0	0	112.2	L235 A236 L242 E243	L235-N239 WeakPolarHBondContact O-CB 3.3Å; L235-N239 VanDerWaalsContact O-CG 3.31Å; L235-N239 PolarHBondContact O-N 3.49Å; L235-N239 VanDerWaalsContact O-N 3.08Å; L235-N239 PolarHBondContact O-ND2 3.37Å; A236-N239 PolarHBondContact O-N 3.06Å; N239-L242 PolarHBondContact O-N 2.98Å; N239-E243 WeakPolarHBondContact O-CB 3.43Å; N239-E243 PolarHBondContact O-N 3.02Å
240	L	82.3	Confident	75	Confident	96 Å²	96	103.5 Å²	103.5	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-41.8	175.2	-177.9	64.6	0	0	0	111.7	A236 N237 E243 L244	A236-L240 WeakPolarHBondContact O-CB 3.39Å; A236-L240 PolarHBondContact O-N 3.26Å; N237-L240 PolarHBondContact O-N 3.43Å; L240-E243 PolarHBondContact O-N 3.08Å; L240-L244 HydrophobicContact CG-CD1 4.25Å; L240-L244 WeakPolarHBondContact O-CB 3.43Å; L240-L244 VanDerWaalsContact O-CG 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.31Å; L240-L244 PolarHBondContact O-N 3.35Å
241	M	75.9	Confident	76.1	Confident	67 Å²	67	100.5 Å²	100.5	33%	0.33	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-43	174.1	-76.3	-177.9	63	0	0	112.2	L226 L233 N237 V238 E243 L244 L245	L226-M241 HydrophobicContact CD2-CE 4.17Å; L233-M241 HydrophobicContact CD2-SD 4.03Å; N237-M241 WeakPolarHBondContact O-CG 3.12Å; N237-M241 PolarHBondContact O-N 3.35Å; V238-M241 PolarHBondContact O-N 3.38Å; M241-E243 VanDerWaalsContact C-N 3.35Å; M241-L244 PolarHBondContact O-N 2.72Å; M241-L245 WeakPolarHBondContact O-CB 3.41Å; M241-L245 VanDerWaalsContact O-CG 3.24Å; M241-L245 WeakPolarHBondContact O-CG 3.27Å; M241-L245 PolarHBondContact O-N 3.14Å
242	L	77.6	Confident	76.7	Confident	96 Å²	96	97.2 Å²	97.2	50%	0.503	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-41.5	175.5	-73	169.5	0	0	0	111.6	V238 N239 L245 V246	V238-L242 HydrophobicContact CG1-CD1 4.16Å; V238-L242 WeakPolarHBondContact O-CG 3.34Å; V238-L242 PolarHBondContact O-N 3.46Å; N239-L242 PolarHBondContact O-N 2.98Å; L242-L245 PolarHBondContact O-N 2.72Å; L242-V246 WeakPolarHBondContact O-CB 3.49Å; L242-V246 VanDerWaalsContact O-CG2 3.31Å; L242-V246 WeakPolarHBondContact O-CG2 3.42Å; L242-V246 PolarHBondContact O-N 2.74Å
243	E	83.4	Confident	77.7	Confident	135 Å²	135	95.4 Å²	95.4	63%	0.631	49%	0.486	S	S	*	.	H	α-helix	trans	-65.4	-44.5	177.7	-170.1	164.2	-146.4	0	0	111.9	N239 L240 M241 L245 V246 Q247	N239-E243 WeakPolarHBondContact O-CB 3.43Å; N239-E243 PolarHBondContact O-N 3.02Å; L240-E243 PolarHBondContact O-N 3.08Å; M241-E243 VanDerWaalsContact C-N 3.35Å; E243-L245 PolarHBondContact O-N 3.32Å; E243-V246 PolarHBondContact O-N 3.43Å; E243-Q247 WeakPolarHBondContact O-CB 3.45Å; E243-Q247 PolarHBondContact O-N 3.1Å
244	L	80.3	Confident	78.4	Confident	93 Å²	93	95.1 Å²	95.1	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-61.6	-39.7	173.1	-73.2	170.6	0	0	0	112.4	L240 M241 Q247 K248	L240-L244 HydrophobicContact CG-CD1 4.25Å; L240-L244 WeakPolarHBondContact O-CB 3.43Å; L240-L244 VanDerWaalsContact O-CG 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.31Å; L240-L244 PolarHBondContact O-N 3.35Å; M241-L244 PolarHBondContact O-N 2.72Å; L244-Q247 PolarHBondContact O-N 3.35Å; L244-K248 WeakPolarHBondContact O-CB 3.34Å; L244-K248 PolarHBondContact O-N 3.48Å
245	L	74.8	Confident	78.7	Confident	98 Å²	98	95.5 Å²	95.5	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-67.2	-40.5	175.5	-75	169.6	0	0	0	112	M241 L242 E243 K248 K249	M241-L245 WeakPolarHBondContact O-CB 3.41Å; M241-L245 VanDerWaalsContact O-CG 3.24Å; M241-L245 WeakPolarHBondContact O-CG 3.27Å; M241-L245 PolarHBondContact O-N 3.14Å; L242-L245 PolarHBondContact O-N 2.72Å; E243-L245 PolarHBondContact O-N 3.32Å; L245-K248 PolarHBondContact O-N 2.98Å; L245-K249 WeakPolarHBondContact O-CB 3.37Å; L245-K249 PolarHBondContact O-N 2.92Å
246	V	81.6	Confident	78.7	Confident	76 Å²	76	92 Å²	92	46%	0.461	48%	0.479	S	S	.	.	H	α-helix	trans	-65.2	-40	173.7	168.2	0	0	0	0	111	L242 E243 K249 K250	L242-V246 WeakPolarHBondContact O-CB 3.49Å; L242-V246 VanDerWaalsContact O-CG2 3.31Å; L242-V246 WeakPolarHBondContact O-CG2 3.42Å; L242-V246 PolarHBondContact O-N 2.74Å; E243-V246 PolarHBondContact O-N 3.43Å; V246-K249 PolarHBondContact O-N 3.36Å; V246-K250 HydrophobicContact CG1-CD 4.44Å; V246-K250 WeakPolarHBondContact O-CG 3.34Å; V246-K250 PolarHBondContact O-N 3.25Å
247	Q	86.8	Confident	78.5	Confident	126 Å²	126	94.7 Å²	94.7	59%	0.589	48%	0.481	S	S	*	.	H	α-helix	trans	-63.9	-45.4	174.6	-170.3	-179.7	11.3	0	0	111.3	E243 L244 K250 Q251	E243-Q247 WeakPolarHBondContact O-CB 3.45Å; E243-Q247 PolarHBondContact O-N 3.1Å; L244-Q247 PolarHBondContact O-N 3.35Å; Q247-K250 PolarHBondContact O-N 3.42Å; Q247-Q251 PolarHBondContact O-N 3.03Å
248	K	80.5	Confident	78.6	Confident	109 Å²	109	93.9 Å²	93.9	47%	0.474	49%	0.485	S	S	.	.	H	α-helix	trans	-65.1	-38	176.2	-102.9	-67.3	176	-158.1	0	112.9	L244 L245 Q251 L252	L244-K248 WeakPolarHBondContact O-CB 3.34Å; L244-K248 PolarHBondContact O-N 3.48Å; L245-K248 PolarHBondContact O-N 2.98Å; K248-Q251 PolarHBondContact O-N 2.85Å; K248-L252 WeakPolarHBondContact O-CG 3.42Å; K248-L252 PolarHBondContact O-N 3.46Å
249	K	80.1	Confident	78.3	Confident	124 Å²	124	93.2 Å²	93.2	54%	0.539	49%	0.485	S	S	.	.	H	α-helix	trans	-59.5	-52.7	172.6	178.3	-179.4	168.4	-179.7	0	110.8	L245 V246 Q251 L252 E253	L245-K249 WeakPolarHBondContact O-CB 3.37Å; L245-K249 PolarHBondContact O-N 2.92Å; V246-K249 PolarHBondContact O-N 3.36Å; K249-Q251 VanDerWaalsContact C-N 3.27Å; K249-Q251 PolarHBondContact O-N 3.34Å; K249-L252 PolarHBondContact O-N 2.86Å; K249-L252 VanDerWaalsContact O-N 3.15Å; K249-E253 WeakPolarHBondContact CE-OE1 3.33Å; K249-E253 HydrophobicContact CG-CG 4.44Å; K249-E253 IonicContact NZ-OE1 3.45Å; K249-E253 WeakPolarHBondContact O-CG 3.45Å; K249-E253 PolarHBondContact O-N 3.49Å
250	K	84.6	Confident	77.9	Confident	138 Å²	138	94.2 Å²	94.2	60%	0.6	49%	0.487	S	S	*	.	H	α-helix	trans	-58.4	-38.2	177.2	-75.3	178.1	178.3	177	0	112.4	V246 Q247 A254	V246-K250 HydrophobicContact CG1-CD 4.44Å; V246-K250 WeakPolarHBondContact O-CG 3.34Å; V246-K250 PolarHBondContact O-N 3.25Å; Q247-K250 PolarHBondContact O-N 3.42Å; K250-A254 WeakPolarHBondContact O-CB 3.32Å; K250-A254 PolarHBondContact O-N 2.98Å
251	Q	81.4	Confident	77.5	Confident	81 Å²	81	95.1 Å²	95.1	38%	0.379	49%	0.492	S	S	.	.	H	α-helix	trans	-61.9	-50.2	174.5	-179.1	179.7	4.9	0	0	111.5	Q247 K248 K249 E253 A254 E255	Q247-Q251 PolarHBondContact O-N 3.03Å; K248-Q251 PolarHBondContact O-N 2.85Å; K249-Q251 VanDerWaalsContact C-N 3.27Å; K249-Q251 PolarHBondContact O-N 3.34Å; Q251-E253 VanDerWaalsContact C-N 3.33Å; Q251-E253 PolarHBondContact O-N 3.15Å; Q251-A254 PolarHBondContact O-N 3.41Å; Q251-E255 HydrophobicContact CG-CG 4.45Å; Q251-E255 VanDerWaalsContact CG-OE1 3.23Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.42Å; Q251-E255 PolarHBondContact NE2-OE1 3Å; Q251-E255 WeakPolarHBondContact O-CB 3.32Å; Q251-E255 WeakPolarHBondContact O-CG 3.39Å; Q251-E255 PolarHBondContact O-N 3.12Å
252	L	70	Confident	77.5	Confident	104 Å²	104	97.9 Å²	97.9	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-35.2	179.8	-70.1	168.6	0	0	0	112.4	K248 K249 S256	K248-L252 WeakPolarHBondContact O-CG 3.42Å; K248-L252 PolarHBondContact O-N 3.46Å; K249-L252 PolarHBondContact O-N 2.86Å; K249-L252 VanDerWaalsContact O-N 3.15Å; L252-S256 VanDerWaalsContact O-CB 3.29Å; L252-S256 WeakPolarHBondContact O-CB 3.45Å; L252-S256 PolarHBondContact O-N 2.93Å
253	E	78.8	Confident	77.4	Confident	92 Å²	92	97.5 Å²	97.5	43%	0.43	50%	0.501	S	S	.	.	H	α-helix	trans	-64.9	-42.2	172.7	-72.5	171.6	158.8	0	0	111.5	K249 Q251 S256 H257	K249-E253 WeakPolarHBondContact CE-OE1 3.33Å; K249-E253 HydrophobicContact CG-CG 4.44Å; K249-E253 IonicContact NZ-OE1 3.45Å; K249-E253 WeakPolarHBondContact O-CG 3.45Å; K249-E253 PolarHBondContact O-N 3.49Å; Q251-E253 VanDerWaalsContact C-N 3.33Å; Q251-E253 PolarHBondContact O-N 3.15Å; E253-S256 PolarHBondContact O-N 2.61Å; E253-H257 PolarHBondContact O-CD2 3.36Å; E253-H257 VanDerWaalsContact O-CD2 3.32Å; E253-H257 PolarHBondContact O-N 2.67Å
254	A	80.5	Confident	76.8	Confident	59 Å²	59	95.5 Å²	95.5	49%	0.488	49%	0.494	S	S	.	.	H	α-helix	trans	-66.8	-41.5	175.1	0	0	0	0	0	112.7	K250 Q251 S256 H257 A258	K250-A254 WeakPolarHBondContact O-CB 3.32Å; K250-A254 PolarHBondContact O-N 2.98Å; Q251-A254 PolarHBondContact O-N 3.41Å; A254-S256 VanDerWaalsContact C-N 3.35Å; A254-H257 PolarHBondContact O-N 2.98Å; A254-A258 WeakPolarHBondContact O-CB 3.28Å; A254-A258 PolarHBondContact O-N 2.74Å
255	E	76.4	Confident	76.3	Confident	97 Å²	97	96.2 Å²	96.2	45%	0.453	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-40.4	174.6	-73.9	169.3	-172.7	0	0	111.4	Q251 A258 A259	Q251-E255 HydrophobicContact CG-CG 4.45Å; Q251-E255 VanDerWaalsContact CG-OE1 3.23Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.42Å; Q251-E255 PolarHBondContact NE2-OE1 3Å; Q251-E255 WeakPolarHBondContact O-CB 3.32Å; Q251-E255 WeakPolarHBondContact O-CG 3.39Å; Q251-E255 PolarHBondContact O-N 3.12Å; E255-A258 PolarHBondContact O-N 3.15Å; E255-A259 WeakPolarHBondContact O-CB 3.36Å; E255-A259 PolarHBondContact O-N 2.93Å
256	S	71.5	Confident	76.2	Confident	62 Å²	62	94.3 Å²	94.3	43%	0.434	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-47.3	173.1	-176.2	0	0	0	0	112.3	L252 E253 A254 A258 A259 Q260	L252-S256 VanDerWaalsContact O-CB 3.29Å; L252-S256 WeakPolarHBondContact O-CB 3.45Å; L252-S256 PolarHBondContact O-N 2.93Å; E253-S256 PolarHBondContact O-N 2.61Å; A254-S256 VanDerWaalsContact C-N 3.35Å; S256-A258 PolarHBondContact O-N 3.43Å; S256-A259 PolarHBondContact O-N 2.99Å; S256-Q260 WeakPolarHBondContact O-CG 3.48Å; S256-Q260 PolarHBondContact O-N 3.12Å
257	H	72.4	Confident	76	Confident	116 Å²	116	97.1 Å²	97.1	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-63.2	-39.1	175.6	-87	-63.1	0	0	0	112.8	E253 A254 Q260 L261	E253-H257 PolarHBondContact O-CD2 3.36Å; E253-H257 VanDerWaalsContact O-CD2 3.32Å; E253-H257 PolarHBondContact O-N 2.67Å; A254-H257 PolarHBondContact O-N 2.98Å; H257-Q260 PolarHBondContact ND1-OE1 3.03Å; H257-Q260 PolarHBondContact O-N 2.92Å; H257-L261 WeakPolarHBondContact O-CG 3.37Å; H257-L261 PolarHBondContact O-N 3.41Å
258	A	78.3	Confident	75	Confident	56 Å²	56	96 Å²	96	46%	0.463	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-43.4	174.2	0	0	0	0	0	111.3	A254 E255 S256 L261 Q262	A254-A258 WeakPolarHBondContact O-CB 3.28Å; A254-A258 PolarHBondContact O-N 2.74Å; E255-A258 PolarHBondContact O-N 3.15Å; S256-A258 PolarHBondContact O-N 3.43Å; A258-L261 PolarHBondContact O-N 2.96Å; A258-Q262 WeakPolarHBondContact O-CB 3.44Å; A258-Q262 PolarHBondContact O-N 3.41Å
259	A	69.6	Low	74.6	Confident	42 Å²	42	95.5 Å²	95.5	35%	0.347	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-40.8	175.4	0	0	0	0	0	112.5	E255 S256 Q262 I263	E255-A259 WeakPolarHBondContact O-CB 3.36Å; E255-A259 PolarHBondContact O-N 2.93Å; S256-A259 PolarHBondContact O-N 2.99Å; A259-Q262 PolarHBondContact O-N 3.49Å; A259-I263 VanDerWaalsContact O-CG1 3.3Å; A259-I263 WeakPolarHBondContact O-CG1 3.33Å; A259-I263 PolarHBondContact O-N 2.98Å
260	Q	69.9	Low	74.1	Confident	112 Å²	112	91.6 Å²	91.6	52%	0.523	47%	0.473	S	S	.	.	H	α-helix	trans	-61.2	-46.4	173.8	-72.6	177.3	-0.9	0	0	112.1	S256 H257 Q262 I263 L264	S256-Q260 WeakPolarHBondContact O-CG 3.48Å; S256-Q260 PolarHBondContact O-N 3.12Å; H257-Q260 PolarHBondContact ND1-OE1 3.03Å; H257-Q260 PolarHBondContact O-N 2.92Å; Q260-Q262 VanDerWaalsContact C-N 3.32Å; Q260-Q262 PolarHBondContact O-N 2.91Å; Q260-I263 PolarHBondContact O-N 3.29Å; Q260-L264 PolarHBondContact O-N 2.84Å
261	L	73.9	Confident	73.1	Confident	115 Å²	115	87 Å²	87	60%	0.602	46%	0.46	S	S	*	.	H	α-helix	trans	-63.8	-37.3	177.1	-74.2	169.1	0	0	0	112.1	H257 A258 L264 M265	H257-L261 WeakPolarHBondContact O-CG 3.37Å; H257-L261 PolarHBondContact O-N 3.41Å; A258-L261 PolarHBondContact O-N 2.96Å; L261-L264 PolarHBondContact O-N 2.97Å; L261-M265 WeakPolarHBondContact O-CB 3.31Å; L261-M265 PolarHBondContact O-N 3Å
262	Q	75.2	Confident	72.5	Confident	125 Å²	125	91 Å²	91	58%	0.584	47%	0.472	S	S	*	.	H	α-helix	trans	-66.6	-42.4	176.3	-169.6	172.3	5	0	0	111.8	A258 A259 Q260 L264 M265 E266	A258-Q262 WeakPolarHBondContact O-CB 3.44Å; A258-Q262 PolarHBondContact O-N 3.41Å; A259-Q262 PolarHBondContact O-N 3.49Å; Q260-Q262 VanDerWaalsContact C-N 3.32Å; Q260-Q262 PolarHBondContact O-N 2.91Å; Q262-L264 VanDerWaalsContact C-N 3.35Å; Q262-L264 PolarHBondContact O-N 3.46Å; Q262-M265 PolarHBondContact O-N 2.79Å; Q262-E266 PolarHBondContact O-N 2.86Å
263	I	76.5	Confident	72.6	Confident	88 Å²	88	92.5 Å²	92.5	45%	0.451	47%	0.471	S	S	.	.	H	α-helix	trans	-59.9	-44.9	172.7	-69.8	163.2	0	0	0	110.8	A259 Q260 M265 E266 F267	A259-I263 VanDerWaalsContact O-CG1 3.3Å; A259-I263 WeakPolarHBondContact O-CG1 3.33Å; A259-I263 PolarHBondContact O-N 2.98Å; Q260-I263 PolarHBondContact O-N 3.29Å; I263-M265 VanDerWaalsContact C-N 3.34Å; I263-M265 PolarHBondContact O-N 2.93Å; I263-E266 PolarHBondContact O-N 3.29Å; I263-F267 WeakPolarHBondContact O-CB 3.32Å; I263-F267 PolarHBondContact O-N 3.41Å
264	L	69.9	Low	71.6	Confident	92 Å²	92	91.1 Å²	91.1	48%	0.482	47%	0.466	S	S	.	.	H	α-helix	trans	-61.3	-41.6	175.9	179.9	64.2	0	0	0	111.8	Q260 L261 Q262 F267 L268	Q260-L264 PolarHBondContact O-N 2.84Å; L261-L264 PolarHBondContact O-N 2.97Å; Q262-L264 VanDerWaalsContact C-N 3.35Å; Q262-L264 PolarHBondContact O-N 3.46Å; L264-F267 PolarHBondContact O-N 2.79Å; L264-L268 HydrophobicContact CD1-CD1 4.37Å; L264-L268 HydrophobicContact CD1-CG 4.44Å; L264-L268 HydrophobicContact CG-CD1 4.14Å; L264-L268 WeakPolarHBondContact O-CB 3.31Å; L264-L268 VanDerWaalsContact O-CG 3.27Å; L264-L268 WeakPolarHBondContact O-CG 3.16Å; L264-L268 PolarHBondContact O-N 3.41Å
265	M	70.7	Confident	70.7	Confident	108 Å²	108	95.6 Å²	95.6	53%	0.532	48%	0.475	S	S	.	.	H	α-helix	trans	-68.2	-39.4	-179.8	-160.1	174.6	83.1	0	0	112.1	L261 Q262 I263 L268 K269	L261-M265 WeakPolarHBondContact O-CB 3.31Å; L261-M265 PolarHBondContact O-N 3Å; Q262-M265 PolarHBondContact O-N 2.79Å; I263-M265 VanDerWaalsContact C-N 3.34Å; I263-M265 PolarHBondContact O-N 2.93Å; M265-L268 PolarHBondContact O-N 3.31Å; M265-K269 WeakPolarHBondContact O-CG 3.35Å; M265-K269 PolarHBondContact O-N 3.21Å
266	E	70.6	Confident	70.1	Confident	58 Å²	58	98.8 Å²	98.8	27%	0.271	48%	0.482	S	S	.	.	H	α-helix	trans	-66	-43.8	172.1	-70.6	-50.8	138.9	0	0	112.1	Q262 I263 L268 K269 V270 L324	Q262-E266 PolarHBondContact O-N 2.86Å; I263-E266 PolarHBondContact O-N 3.29Å; E266-L268 VanDerWaalsContact C-N 3.28Å; E266-L268 PolarHBondContact O-N 3Å; E266-K269 WeakPolarHBondContact O-CB 3.45Å; E266-K269 PolarHBondContact O-N 3.05Å; E266-K269 VanDerWaalsContact O-N 3.11Å; E266-K269 IonicContact OE1-NZ 2.64Å; E266-K269 PolarHBondContact OE1-NZ 3.35Å; E266-K269 WeakPolarHBondContact OE2-CD 3.41Å; E266-K269 IonicContact OE2-NZ 3.77Å; E266-V270 WeakPolarHBondContact O-CG2 3.39Å; E266-V270 PolarHBondContact O-N 3.3Å; E266-L324 HydrophobicContact CB-CD1 3.74Å; E266-L324 HydrophobicContact CG-CD1 3.95Å
267	F	78.4	Confident	69.3	Low	136 Å²	136	99.9 Å²	99.9	60%	0.596	48%	0.481	S	S	*	.	H	α-helix	trans	-55.5	-44.2	173.2	174.3	-96.4	0	0	0	111.7	I263 L264 V270 A271	I263-F267 WeakPolarHBondContact O-CB 3.32Å; I263-F267 PolarHBondContact O-N 3.41Å; L264-F267 PolarHBondContact O-N 2.79Å; F267-V270 PolarHBondContact O-N 2.99Å; F267-A271 WeakPolarHBondContact O-CB 3.48Å; F267-A271 PolarHBondContact O-N 3.05Å
268	L	64.7	Low	68.2	Low	101 Å²	101	97.7 Å²	97.7	53%	0.529	48%	0.475	S	S	.	.	H	α-helix	trans	-66.7	-35.6	177.4	-72.1	170.8	0	0	0	112.8	L264 M265 E266 R272	L264-L268 HydrophobicContact CD1-CD1 4.37Å; L264-L268 HydrophobicContact CD1-CG 4.44Å; L264-L268 HydrophobicContact CG-CD1 4.14Å; L264-L268 WeakPolarHBondContact O-CB 3.31Å; L264-L268 VanDerWaalsContact O-CG 3.27Å; L264-L268 WeakPolarHBondContact O-CG 3.16Å; L264-L268 PolarHBondContact O-N 3.41Å; M265-L268 PolarHBondContact O-N 3.31Å; E266-L268 VanDerWaalsContact C-N 3.28Å; E266-L268 PolarHBondContact O-N 3Å; L268-R272 VanDerWaalsContact O-CB 3.3Å; L268-R272 WeakPolarHBondContact O-CB 3.45Å; L268-R272 PolarHBondContact O-N 3.25Å
269	K	72.3	Confident	66.8	Low	100 Å²	100	103.7 Å²	103.7	44%	0.435	49%	0.491	S	S	.	.	H	α-helix	trans	-63.6	-49.8	172.6	-72.8	169.5	-175.4	176	0	111.3	M265 E266 R272 R273	M265-K269 WeakPolarHBondContact O-CG 3.35Å; M265-K269 PolarHBondContact O-N 3.21Å; E266-K269 WeakPolarHBondContact O-CB 3.45Å; E266-K269 PolarHBondContact O-N 3.05Å; E266-K269 VanDerWaalsContact O-N 3.11Å; E266-K269 IonicContact OE1-NZ 2.64Å; E266-K269 PolarHBondContact OE1-NZ 3.35Å; E266-K269 WeakPolarHBondContact OE2-CD 3.41Å; E266-K269 IonicContact OE2-NZ 3.77Å; K269-R272 PolarHBondContact O-N 2.87Å; K269-R273 PolarHBondContact O-N 2.82Å
270	V	69.7	Low	65.7	Low	42 Å²	42	109.9 Å²	109.9	26%	0.255	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-45.7	178.7	173.5	0	0	0	0	110.7	E266 F267 R272 R273 N274	E266-V270 WeakPolarHBondContact O-CG2 3.39Å; E266-V270 PolarHBondContact O-N 3.3Å; F267-V270 PolarHBondContact O-N 2.99Å; V270-R272 VanDerWaalsContact C-N 3.29Å; V270-R272 PolarHBondContact O-N 3.13Å; V270-R273 WeakPolarHBondContact O-CB 3.28Å; V270-R273 PolarHBondContact O-N 2.81Å; V270-R273 VanDerWaalsContact O-N 3.08Å; V270-N274 PolarHBondContact O-N 3.34Å
271	A	65	Low	64.3	Low	40 Å²	40	110.9 Å²	110.9	33%	0.331	52%	0.515	S	S	.	.	H	α-helix	trans	-58.9	-39.1	174.7	0	0	0	0	0	112.2	F267 K275	F267-A271 WeakPolarHBondContact O-CB 3.48Å; F267-A271 PolarHBondContact O-N 3.05Å; A271-K275 VanDerWaalsContact O-CB 3.3Å; A271-K275 WeakPolarHBondContact O-CB 3.32Å; A271-K275 PolarHBondContact O-N 3.49Å
272	R	68.7	Low	62.7	Low	165 Å²	165	111.3 Å²	111.3	62%	0.623	52%	0.524	S	S	*	.	H	α-helix	trans	-68.4	-34	175.4	-163.2	178.1	84.9	166.2	3.5	112.5	L268 K269 V270 R276	L268-R272 VanDerWaalsContact O-CB 3.3Å; L268-R272 WeakPolarHBondContact O-CB 3.45Å; L268-R272 PolarHBondContact O-N 3.25Å; K269-R272 PolarHBondContact O-N 2.87Å; V270-R272 VanDerWaalsContact C-N 3.29Å; V270-R272 PolarHBondContact O-N 3.13Å; R272-R276 WeakPolarHBondContact O-CG 3.39Å; R272-R276 PolarHBondContact O-N 3.18Å
273	R	70.9	Confident	61.2	Low	137 Å²	137	112.1 Å²	112.1	52%	0.517	52%	0.522	S	S	.	.	H	α-helix	trans	-68.8	-51.5	173.9	-174.8	174.8	-174.7	160.7	1.5	111	K269 V270 K275 R276 E277	K269-R273 PolarHBondContact O-N 2.82Å; V270-R273 WeakPolarHBondContact O-CB 3.28Å; V270-R273 PolarHBondContact O-N 2.81Å; V270-R273 VanDerWaalsContact O-N 3.08Å; R273-K275 PolarHBondContact O-N 2.92Å; R273-R276 WeakPolarHBondContact O-CA 3.41Å; R273-R276 WeakPolarHBondContact O-CB 3.41Å; R273-R276 PolarHBondContact O-N 3.09Å; R273-E277 VanDerWaalsContact CG-OE1 3.27Å; R273-E277 WeakPolarHBondContact CG-OE1 3.49Å; R273-E277 IonicContact CZ-OE1 3.57Å; R273-E277 IonicContact NE-OE1 3.43Å; R273-E277 PolarHBondContact NE-OE1 2.9Å; R273-E277 IonicContact NH2-OE1 3.09Å; R273-E277 PolarHBondContact O-N 3.1Å
274	N	58.5	Low	59.6	Low	62 Å²	62	114.4 Å²	114.4	33%	0.332	53%	0.526	S	S	.	.	H	α-helix	trans	-59.1	-35.1	177.3	-66.7	-2.1	0	0	0	111.9	V270 R276 E277 T278 Q328	V270-N274 PolarHBondContact O-N 3.34Å; N274-R276 VanDerWaalsContact C-N 3.3Å; N274-R276 PolarHBondContact O-N 2.97Å; N274-E277 PolarHBondContact O-N 2.92Å; N274-T278 WeakPolarHBondContact O-CB 3.22Å; N274-T278 WeakPolarHBondContact O-CG2 3.5Å; N274-T278 PolarHBondContact O-N 3.15Å; N274-T278 PolarHBondContact O-OG1 3.2Å; N274-Q328 PolarHBondContact OD1-NE2 3.09Å
275	K	61.7	Low	58.5	Low	154 Å²	154	116.5 Å²	116.5	67%	0.67	54%	0.538	S	S	*	.	H	α-helix	trans	-68.8	-21.2	173	-169.4	171.8	-176.8	176	0	114.3	A271 R273 T278	A271-K275 VanDerWaalsContact O-CB 3.3Å; A271-K275 WeakPolarHBondContact O-CB 3.32Å; A271-K275 PolarHBondContact O-N 3.49Å; R273-K275 PolarHBondContact O-N 2.92Å; K275-T278 WeakPolarHBondContact CA-OG1 3.43Å
276	R	63.3	Low	57.8	Low	164 Å²	164	112 Å²	112	62%	0.619	52%	0.517	S	S	*	.	H	α-helix	trans	-85.1	-34	171.8	-71.9	174.3	171.3	-167.9	-4.7	111.8	R272 R273 N274	R272-R276 WeakPolarHBondContact O-CG 3.39Å; R272-R276 PolarHBondContact O-N 3.18Å; R273-R276 WeakPolarHBondContact O-CA 3.41Å; R273-R276 WeakPolarHBondContact O-CB 3.41Å; R273-R276 PolarHBondContact O-N 3.09Å; N274-R276 VanDerWaalsContact C-N 3.3Å; N274-R276 PolarHBondContact O-N 2.97Å
277	E	55.9	Low	57.5	Low	85 Å²	85	113.9 Å²	113.9	40%	0.397	53%	0.533	S	S	.	.	H	α-helix	trans	-80.6	-37	-179.2	-70.1	167.5	-170.3	0	0	112.4	R273 N274 K279 K280	R273-E277 VanDerWaalsContact CG-OE1 3.27Å; R273-E277 WeakPolarHBondContact CG-OE1 3.49Å; R273-E277 IonicContact CZ-OE1 3.57Å; R273-E277 IonicContact NE-OE1 3.43Å; R273-E277 PolarHBondContact NE-OE1 2.9Å; R273-E277 IonicContact NH2-OE1 3.09Å; R273-E277 PolarHBondContact O-N 3.1Å; N274-E277 PolarHBondContact O-N 2.92Å; E277-K279 PolarHBondContact O-N 3.4Å; E277-K279 VanDerWaalsContact O-N 3.14Å; E277-K280 WeakPolarHBondContact O-CB 2.95Å; E277-K280 PolarHBondContact O-N 2.88Å
278	T	49.6	Very low	56.9	Low	69 Å²	69	114.6 Å²	114.6	42%	0.423	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-61.2	-19.5	171.7	40.5	0	0	0	0	114.2	N274 K275 K280 Y284	N274-T278 WeakPolarHBondContact O-CB 3.22Å; N274-T278 WeakPolarHBondContact O-CG2 3.5Å; N274-T278 PolarHBondContact O-N 3.15Å; N274-T278 PolarHBondContact O-OG1 3.2Å; K275-T278 WeakPolarHBondContact CA-OG1 3.43Å; T278-K280 PolarHBondContact O-N 3.07Å; T278-Y284 HydrophobicContact CG2-CE2 4.37Å
279	K	48.9	Very low	57.1	Low	182 Å²	182	113.3 Å²	113.3	79%	0.791	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-75	-4.5	170.6	-75.5	-168.3	172	-164.4	0	114.1	E277	E277-K279 PolarHBondContact O-N 3.4Å; E277-K279 VanDerWaalsContact O-N 3.14Å
280	K	44.8	Very low	57	Low	173 Å²	173	111 Å²	111	75%	0.752	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-114.2	-2.9	-175.9	-63.2	-172.4	174	-171.9	0	114.8	E277 T278	E277-K280 WeakPolarHBondContact O-CB 2.95Å; E277-K280 PolarHBondContact O-N 2.88Å; T278-K280 PolarHBondContact O-N 3.07Å
281	Q	41.1	Very low	56.9	Low	132 Å²	132	111 Å²	111	62%	0.617	54%	0.538	S	S	*	.			trans	-132.4	114.1	-171.4	-74.7	-66.1	-5.7	0	0	112.1	W283	Q281-W283 VanDerWaalsContact C-N 3.34Å; Q281-W283 PolarHBondContact O-N 3.21Å
282	P	39.4	Very low	57.4	Low	124 Å²	124	117 Å²	117	81%	0.805	55%	0.552	S	S	*	*			trans	-74.2	-9.3	-174.5	-20	33.5	0	0	0	116.8	Y284	P282-Y284 VanDerWaalsContact C-N 3.3Å; P282-Y284 PolarHBondContact O-N 3.46Å
283	W	43.8	Very low	58	Low	142 Å²	142	117.1 Å²	117.1	54%	0.538	56%	0.557	S	S	.	*			trans	-79.2	23.8	-161.8	-177.5	-121.4	0	0	0	116.9	Q281 N285 V666	Q281-W283 VanDerWaalsContact C-N 3.34Å; Q281-W283 PolarHBondContact O-N 3.21Å; W283-N285 VanDerWaalsContact C-N 3.33Å; W283-N285 PolarHBondContact O-N 3.23Å; W283-V666 HydrophobicContact CH2-CG1 3.61Å; W283-V666 HydrophobicContact CZ2-CG1 3.44Å; W283-V666 VanDerWaalsContact CZ2-CG1 3.44Å; W283-V666 WeakPolarHBondContact CZ2-OXT 3.49Å; W283-V666 PolarHBondContact NE1-OXT 3.43Å
284	Y	43.5	Very low	58.2	Low	136 Å²	136	112.4 Å²	112.4	53%	0.533	54%	0.539	S	S	.	.			trans	-86	45.4	-167	-107.9	-108.9	0	0	0	116.7	T278 P282 S286 R291	T278-Y284 HydrophobicContact CG2-CE2 4.37Å; P282-Y284 VanDerWaalsContact C-N 3.3Å; P282-Y284 PolarHBondContact O-N 3.46Å; Y284-S286 VanDerWaalsContact C-N 3.3Å; Y284-S286 PolarHBondContact O-N 2.95Å; Y284-S286 VanDerWaalsContact O-N 3.08Å; Y284-R291 VanDerWaalsContact CE1-NH1 3.27Å; Y284-R291 VanDerWaalsContact CZ-NH1 3.34Å; Y284-R291 PolarHBondContact OH-NH1 2.89Å
285	N	46.3	Very low	59.3	Low	136 Å²	136	112.5 Å²	112.5	73%	0.727	54%	0.539	S	S	*	.			trans	-85.7	41.2	-176.4	-74.2	-15.5	0	0	0	115.5	W283	W283-N285 VanDerWaalsContact C-N 3.33Å; W283-N285 PolarHBondContact O-N 3.23Å
286	S	57.3	Low	60.2	Low	13 Å²	13	109.7 Å²	109.7	9%	0.091	54%	0.535	C	S	.	.	S	Bend	trans	-133.3	121.6	169	-179.8	0	0	0	0	109.8	Y284 R291	Y284-S286 VanDerWaalsContact C-N 3.3Å; Y284-S286 PolarHBondContact O-N 2.95Å; Y284-S286 VanDerWaalsContact O-N 3.08Å; S286-R291 PolarHBondContact O-NE 2.93Å
287	T	63	Low	61.1	Low	99 Å²	99	104.7 Å²	104.7	61%	0.607	53%	0.529	S	S	*	.			trans	-56.4	141.7	-175.7	63	0	0	0	0	111.3	A289 S290 R291	T287-A289 PolarHBondContact O-N 3.34Å; T287-A289 VanDerWaalsContact O-N 3.1Å; T287-S290 PolarHBondContact O-N 2.98Å; T287-S290 WeakPolarHBondContact OG1-CB 3.36Å; T287-S290 PolarHBondContact OG1-N 3.3Å; T287-R291 PolarHBondContact O-N 3.31Å; T287-R291 VanDerWaalsContact O-N 3.09Å
288	L	67.4	Low	62.4	Low	150 Å²	150	101.3 Å²	101.3	79%	0.785	51%	0.513	S	S	*	.	H	α-helix	trans	-53.6	-33	176.8	-83.5	164.6	0	0	0	112.2	R292	L288-R292 VanDerWaalsContact O-CB 3.28Å; L288-R292 WeakPolarHBondContact O-CB 3.5Å; L288-R292 PolarHBondContact O-N 3.08Å
289	A	68.6	Low	64.1	Low	75 Å²	75	104 Å²	104	62%	0.62	52%	0.519	S	S	*	.	H	α-helix	trans	-64	-44.9	174.6	0	0	0	0	0	113	T287 R292 K293	T287-A289 PolarHBondContact O-N 3.34Å; T287-A289 VanDerWaalsContact O-N 3.1Å; A289-R292 PolarHBondContact O-N 2.93Å; A289-K293 WeakPolarHBondContact O-CB 3.26Å; A289-K293 PolarHBondContact O-N 3.44Å
290	S	68.9	Low	65.7	Low	52 Å²	52	101 Å²	101	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-45.2	176.6	-177.8	0	0	0	0	111.5	T287 R292 K293 R294	T287-S290 PolarHBondContact O-N 2.98Å; T287-S290 WeakPolarHBondContact OG1-CB 3.36Å; T287-S290 PolarHBondContact OG1-N 3.3Å; S290-R292 PolarHBondContact O-N 3.26Å; S290-K293 PolarHBondContact O-N 2.73Å; S290-R294 PolarHBondContact O-N 3.42Å
291	R	69.2	Low	67.5	Low	41 Å²	41	93.4 Å²	93.4	16%	0.155	48%	0.476	C	S	.	.	H	α-helix	trans	-59	-46.6	174.7	-63.9	-178.5	-177.5	-118.6	-0.6	111.8	Y284 S286 T287 R294 L295	Y284-R291 VanDerWaalsContact CE1-NH1 3.27Å; Y284-R291 VanDerWaalsContact CZ-NH1 3.34Å; Y284-R291 PolarHBondContact OH-NH1 2.89Å; S286-R291 PolarHBondContact O-NE 2.93Å; T287-R291 PolarHBondContact O-N 3.31Å; T287-R291 VanDerWaalsContact O-N 3.09Å; R291-R294 PolarHBondContact O-N 3.47Å; R291-L295 WeakPolarHBondContact O-CG 3.24Å; R291-L295 PolarHBondContact O-N 3.4Å
292	R	74.9	Confident	69.6	Low	167 Å²	167	87.8 Å²	87.8	63%	0.63	45%	0.45	S	S	*	.	H	α-helix	trans	-60.9	-45	176.9	-171	175.8	-177.6	178.5	0.8	111.6	L288 A289 S290 R294 L295 T296	L288-R292 VanDerWaalsContact O-CB 3.28Å; L288-R292 WeakPolarHBondContact O-CB 3.5Å; L288-R292 PolarHBondContact O-N 3.08Å; A289-R292 PolarHBondContact O-N 2.93Å; S290-R292 PolarHBondContact O-N 3.26Å; R292-R294 PolarHBondContact O-N 3.34Å; R292-L295 PolarHBondContact O-N 3.05Å; R292-T296 PolarHBondContact O-N 3.43Å; R292-T296 PolarHBondContact O-OG1 2.87Å; R292-T296 VanDerWaalsContact O-OG1 3.08Å
293	K	80.4	Confident	71.7	Confident	166 Å²	166	86 Å²	86	72%	0.722	43%	0.43	S	S	*	.	H	α-helix	trans	-59.2	-43.9	177.2	-172.4	-179.6	179.4	-176.3	0	112.1	A289 S290 T296 A297	A289-K293 WeakPolarHBondContact O-CB 3.26Å; A289-K293 PolarHBondContact O-N 3.44Å; S290-K293 PolarHBondContact O-N 2.73Å; K293-T296 PolarHBondContact O-N 2.93Å; K293-A297 PolarHBondContact O-N 3.23Å
294	R	76.4	Confident	73.5	Confident	38 Å²	38	85.3 Å²	85.3	14%	0.143	43%	0.433	C	S	.	.	H	α-helix	trans	-63.6	-48	175.3	-70.6	-164.8	-66.7	157.1	-1.3	112	S290 R291 R292 T296 A297 H298 Y337 N338	S290-R294 PolarHBondContact O-N 3.42Å; R291-R294 PolarHBondContact O-N 3.47Å; R292-R294 PolarHBondContact O-N 3.34Å; R294-T296 VanDerWaalsContact C-N 3.29Å; R294-T296 PolarHBondContact O-N 2.8Å; R294-A297 PolarHBondContact O-N 2.8Å; R294-A297 VanDerWaalsContact O-N 3.16Å; R294-H298 PolarHBondContact O-CD2 3.47Å; R294-H298 VanDerWaalsContact O-CD2 3.26Å; R294-H298 PolarHBondContact O-N 3.2Å; R294-H298 VanDerWaalsContact O-N 3.09Å; R294-Y337 PolarHBondContact NH1-O 3Å; R294-N338 VanDerWaalsContact NH2-CB 3.33Å
295	L	80.9	Confident	75.2	Confident	64 Å²	64	79.4 Å²	79.4	34%	0.335	41%	0.412	S	S	.	.	H	α-helix	trans	-58.6	-39.8	177.1	-70.7	170.2	0	0	0	112.2	R291 R292 H298 F299 L302 L331 F334 T335	R291-L295 WeakPolarHBondContact O-CG 3.24Å; R291-L295 PolarHBondContact O-N 3.4Å; R292-L295 PolarHBondContact O-N 3.05Å; L295-H298 CarbonylContact O-C 3.53Å; L295-H298 PolarHBondContact O-N 3.47Å; L295-F299 WeakPolarHBondContact O-CA 3.49Å; L295-F299 PolarHBondContact O-N 2.92Å; L295-L302 HydrophobicContact CD2-CD1 3.87Å; L295-L331 HydrophobicContact CD2-CD2 3.92Å; L295-F334 HydrophobicContact CD2-CE1 4.45Å; L295-T335 HydrophobicContact CD2-CG2 4.34Å
296	T	80.9	Confident	76.8	Confident	96 Å²	96	75.5 Å²	75.5	59%	0.589	39%	0.387	S	S	*	.	H	α-helix	trans	-66.8	-41	175.1	-57.3	0	0	0	0	112.6	R292 K293 R294 H298 F299	R292-T296 PolarHBondContact O-N 3.43Å; R292-T296 PolarHBondContact O-OG1 2.87Å; R292-T296 VanDerWaalsContact O-OG1 3.08Å; K293-T296 PolarHBondContact O-N 2.93Å; R294-T296 VanDerWaalsContact C-N 3.29Å; R294-T296 PolarHBondContact O-N 2.8Å; T296-H298 PolarHBondContact O-N 3.3Å; T296-F299 WeakPolarHBondContact O-CB 3.24Å; T296-F299 PolarHBondContact O-N 3.33Å
297	A	81.4	Confident	77.9	Confident	58 Å²	58	79.7 Å²	79.7	48%	0.479	40%	0.404	S	S	.	.	H	α-helix	trans	-64.7	-29.3	177.5	0	0	0	0	0	113.3	K293 R294 K608	K293-A297 PolarHBondContact O-N 3.23Å; R294-A297 PolarHBondContact O-N 2.8Å; R294-A297 VanDerWaalsContact O-N 3.16Å; A297-K608 WeakPolarHBondContact O-CD 3.49Å; A297-K608 PolarHBondContact O-NZ 2.83Å
298	H	83.7	Confident	78.4	Confident	15 Å²	15	78 Å²	78	7%	0.069	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	10.2	178	-69.2	-110.2	0	0	0	113.5	R294 L295 T296 E300 D301 L302 F334 L606 K608 T609	R294-H298 PolarHBondContact O-CD2 3.47Å; R294-H298 VanDerWaalsContact O-CD2 3.26Å; R294-H298 PolarHBondContact O-N 3.2Å; R294-H298 VanDerWaalsContact O-N 3.09Å; L295-H298 CarbonylContact O-C 3.53Å; L295-H298 PolarHBondContact O-N 3.47Å; T296-H298 PolarHBondContact O-N 3.3Å; H298-E300 PolarHBondContact O-N 2.71Å; H298-D301 PolarHBondContact O-N 3.1Å; H298-D301 VanDerWaalsContact O-N 3.16Å; H298-L302 HydrophobicContact CB-CD1 4.22Å; H298-L302 HydrophobicContact CB-CG 4.35Å; H298-L302 WeakPolarHBondContact O-CB 3.45Å; H298-L302 WeakPolarHBondContact O-CG 3.2Å; H298-L302 PolarHBondContact O-N 2.69Å; H298-F334 HydrophobicContact CB-CE1 4.27Å; H298-F334 HydrophobicContact CB-CZ 3.98Å; H298-F334 AromaticContact CD2-CZ 3.55Å; H298-F334 AromaticContact CE1-CE2 3.5Å; H298-F334 VanDerWaalsContact CE1-CE2 3.5Å; H298-F334 WeakPolarHBondContact CE1-CE2 3.14Å; H298-F334 AromaticContact CE1-CZ 3.67Å; H298-F334 AromaticContact CG-CE2 3.9Å; H298-F334 AromaticContact CG-CZ 3.4Å; H298-F334 AromaticContact ND1-CE2 3.46Å; H298-F334 WeakPolarHBondContact ND1-CE2 3.28Å; H298-F334 AromaticContact ND1-CZ 3.49Å; H298-F334 WeakPolarHBondContact ND1-CZ 3.1Å; H298-F334 AromaticContact NE2-CE2 3.96Å; H298-F334 AromaticContact NE2-CZ 3.72Å; H298-L606 HydrophobicContact CB-CD2 3.99Å; H298-K608 VanDerWaalsContact CE1-CB 3.44Å; H298-K608 WeakPolarHBondContact CE1-CB 3.32Å; H298-T609 PolarHBondContact CE1-O 3.35Å; H298-T609 PolarHBondContact NE2-O 3.45Å
299	F	84.5	Confident	78.4	Confident	126 Å²	126	71.8 Å²	71.8	55%	0.553	36%	0.364	S	S	*	.	H	α-helix	trans	-56.6	-48.4	-171.9	-175.4	-93.8	0	0	0	112.6	L295 T296 D301 L302 E303	L295-F299 WeakPolarHBondContact O-CA 3.49Å; L295-F299 PolarHBondContact O-N 2.92Å; T296-F299 WeakPolarHBondContact O-CB 3.24Å; T296-F299 PolarHBondContact O-N 3.33Å; F299-D301 PolarHBondContact O-N 3.37Å; F299-L302 PolarHBondContact O-N 2.93Å; F299-E303 VanDerWaalsContact O-CB 3.26Å; F299-E303 WeakPolarHBondContact O-CB 3.48Å; F299-E303 PolarHBondContact O-N 2.86Å
300	E	83.6	Confident	78.4	Confident	117 Å²	117	73.5 Å²	73.5	55%	0.547	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-42.1	178.2	-58	162.2	142.5	0	0	112.7	H298 E303 Q304 K608	H298-E300 PolarHBondContact O-N 2.71Å; E300-E303 PolarHBondContact O-N 3.5Å; E300-Q304 WeakPolarHBondContact O-CB 3.23Å; E300-Q304 VanDerWaalsContact O-CG 3.3Å; E300-Q304 WeakPolarHBondContact O-CG 3.42Å; E300-Q304 PolarHBondContact O-N 2.8Å; E300-K608 IonicContact OE2-NZ 2.77Å; E300-K608 PolarHBondContact OE2-NZ 2.78Å
301	D	82.8	Confident	78	Confident	15 Å²	15	77.2 Å²	77.2	8%	0.08	37%	0.368	C	S	.	.	H	α-helix	trans	-68.3	-39.6	178.2	-75.3	41.9	0	0	0	111.1	H298 F299 C305 L606 S607 K608	H298-D301 PolarHBondContact O-N 3.1Å; H298-D301 VanDerWaalsContact O-N 3.16Å; F299-D301 PolarHBondContact O-N 3.37Å; D301-C305 VanDerWaalsContact O-CB 3.31Å; D301-C305 WeakPolarHBondContact O-CB 3.49Å; D301-C305 PolarHBondContact O-N 2.96Å; D301-L606 HydrophobicContact CB-CD2 3.66Å; D301-L606 HydrophobicContact CB-CG 4.21Å; D301-S607 WeakPolarHBondContact OD2-CA 3.3Å; D301-S607 WeakPolarHBondContact OD2-CB 3.29Å; D301-S607 PolarHBondContact OD2-N 3.37Å; D301-K608 VanDerWaalsContact OD1-CD 3.3Å; D301-K608 WeakPolarHBondContact OD1-CD 3.31Å; D301-K608 WeakPolarHBondContact OD1-CE 3.47Å; D301-K608 IonicContact OD1-NZ 3.01Å; D301-K608 PolarHBondContact OD2-N 2.89Å
302	L	84.2	Confident	77.3	Confident	13 Å²	13	79.7 Å²	79.7	7%	0.068	39%	0.391	C	S	.	.	H	α-helix	trans	-69.8	-37.7	177.1	-70.7	171.2	0	0	0	111.6	L295 H298 F299 C305 Y306 F327 L331 L606	L295-L302 HydrophobicContact CD2-CD1 3.87Å; H298-L302 HydrophobicContact CB-CD1 4.22Å; H298-L302 HydrophobicContact CB-CG 4.35Å; H298-L302 WeakPolarHBondContact O-CB 3.45Å; H298-L302 WeakPolarHBondContact O-CG 3.2Å; H298-L302 PolarHBondContact O-N 2.69Å; F299-L302 PolarHBondContact O-N 2.93Å; L302-C305 WeakPolarHBondContact O-CB 3.29Å; L302-C305 PolarHBondContact O-N 3.08Å; L302-Y306 WeakPolarHBondContact O-CB 3.45Å; L302-Y306 PolarHBondContact O-N 3.17Å; L302-F327 HydrophobicContact CB-CE2 4.46Å; L302-F327 HydrophobicContact CB-CZ 4.46Å; L302-F327 HydrophobicContact CD2-CE2 4.39Å; L302-F327 WeakPolarHBondContact O-CE2 3.02Å; L302-L331 HydrophobicContact CD1-CD2 3.87Å; L302-L331 HydrophobicContact CD2-CD2 3.62Å; L302-L331 HydrophobicContact CD2-CG 4.43Å; L302-L331 HydrophobicContact CG-CD2 4.36Å; L302-L606 HydrophobicContact CD2-CD1 4.04Å; L302-L606 HydrophobicContact CD2-CD2 3.83Å; L302-L606 HydrophobicContact CD2-CG 4.4Å; L302-L606 HydrophobicContact CG-CD2 3.98Å
303	E	83.8	Confident	76.2	Confident	86 Å²	86	79.3 Å²	79.3	40%	0.402	39%	0.39	S	S	.	.	H	α-helix	trans	-63.9	-48.1	173.7	179.8	173.4	-155	0	0	110.8	F299 E300 C305 Y306 F307	F299-E303 VanDerWaalsContact O-CB 3.26Å; F299-E303 WeakPolarHBondContact O-CB 3.48Å; F299-E303 PolarHBondContact O-N 2.86Å; E300-E303 PolarHBondContact O-N 3.5Å; E303-C305 VanDerWaalsContact C-N 3.34Å; E303-C305 PolarHBondContact O-N 3.25Å; E303-Y306 PolarHBondContact O-N 3.3Å; E303-F307 HydrophobicContact CG-CD2 3.66Å; E303-F307 HydrophobicContact CG-CE2 3.45Å; E303-F307 VanDerWaalsContact CG-CE2 3.45Å; E303-F307 WeakPolarHBondContact O-CD2 3.44Å; E303-F307 PolarHBondContact O-N 2.77Å
304	Q	81.7	Confident	74.7	Confident	129 Å²	129	78 Å²	78	60%	0.603	39%	0.39	S	S	*	.	H	α-helix	trans	-60.9	-41.3	172.6	-73.2	177.3	13.2	0	0	112.1	E300 S308	E300-Q304 WeakPolarHBondContact O-CB 3.23Å; E300-Q304 VanDerWaalsContact O-CG 3.3Å; E300-Q304 WeakPolarHBondContact O-CG 3.42Å; E300-Q304 PolarHBondContact O-N 2.8Å; Q304-S308 VanDerWaalsContact O-CB 3.29Å; Q304-S308 WeakPolarHBondContact O-CB 3.12Å; Q304-S308 PolarHBondContact O-N 2.8Å; Q304-S308 PolarHBondContact O-OG 3.36Å
305	C	79.4	Confident	73.3	Confident	11 Å²	11	81.5 Å²	81.5	7%	0.074	42%	0.419	C	S	.	.	H	α-helix	trans	-59.6	-50	174.4	-169.8	0	0	0	0	111.3	D301 L302 E303 F307 S308 T309 F327	D301-C305 VanDerWaalsContact O-CB 3.31Å; D301-C305 WeakPolarHBondContact O-CB 3.49Å; D301-C305 PolarHBondContact O-N 2.96Å; L302-C305 WeakPolarHBondContact O-CB 3.29Å; L302-C305 PolarHBondContact O-N 3.08Å; E303-C305 VanDerWaalsContact C-N 3.34Å; E303-C305 PolarHBondContact O-N 3.25Å; C305-F307 PolarHBondContact O-N 3.09Å; C305-S308 WeakPolarHBondContact CA-OG 3.44Å; C305-S308 PolarHBondContact O-N 3.43Å; C305-S308 PolarHBondContact O-OG 2.98Å; C305-T309 WeakPolarHBondContact O-CB 3.47Å; C305-T309 PolarHBondContact O-N 3.09Å; C305-T309 PolarHBondContact O-OG1 2.72Å; C305-T309 VanDerWaalsContact O-OG1 3.12Å; C305-F327 HydrophobicContact CB-CE2 4.47Å
306	Y	79.8	Confident	71.4	Confident	55 Å²	55	83.4 Å²	83.4	22%	0.216	43%	0.43	C	S	.	.	H	α-helix	trans	-58.6	-48.6	177.8	176.8	-104.1	0	0	0	112.3	L302 E303 R310 L324 F327	L302-Y306 WeakPolarHBondContact O-CB 3.45Å; L302-Y306 PolarHBondContact O-N 3.17Å; E303-Y306 PolarHBondContact O-N 3.3Å; Y306-R310 VanDerWaalsContact O-CB 3.28Å; Y306-R310 WeakPolarHBondContact O-CB 3.47Å; Y306-R310 PolarHBondContact O-N 2.63Å; Y306-R310 PolarHBondContact OH-NH1 2.83Å; Y306-R310 VanDerWaalsContact OH-NH1 3.15Å; Y306-L324 HydrophobicContact CE2-CD2 4.02Å; Y306-F327 AromaticContact CD2-CD1 3.97Å; Y306-F327 HydrophobicContact CD2-CD1 3.97Å; Y306-F327 HydrophobicContact CD2-CD2 4.39Å; Y306-F327 HydrophobicContact CD2-CE1 4.23Å; Y306-F327 HydrophobicContact CD2-CG 4.05Å
307	F	79.9	Confident	69.5	Low	101 Å²	101	87.5 Å²	87.5	44%	0.443	45%	0.449	S	S	.	.	H	α-helix	trans	-68	-38.7	179.7	-75.1	-57.2	0	0	0	112.9	E303 C305 R310 M311	E303-F307 HydrophobicContact CG-CD2 3.66Å; E303-F307 HydrophobicContact CG-CE2 3.45Å; E303-F307 VanDerWaalsContact CG-CE2 3.45Å; E303-F307 WeakPolarHBondContact O-CD2 3.44Å; E303-F307 PolarHBondContact O-N 2.77Å; C305-F307 PolarHBondContact O-N 3.09Å; F307-R310 PolarHBondContact O-N 3.04Å; F307-M311 WeakPolarHBondContact O-CB 3.35Å; F307-M311 VanDerWaalsContact O-CG 3.31Å; F307-M311 WeakPolarHBondContact O-CG 3.4Å; F307-M311 PolarHBondContact O-N 3.21Å
308	S	73.2	Confident	67.7	Low	62 Å²	62	88.5 Å²	88.5	43%	0.434	45%	0.452	S	S	.	.	H	α-helix	trans	-66.5	-44.3	176.7	52.5	0	0	0	0	112.4	Q304 C305 R310 M311 S312	Q304-S308 VanDerWaalsContact O-CB 3.29Å; Q304-S308 WeakPolarHBondContact O-CB 3.12Å; Q304-S308 PolarHBondContact O-N 2.8Å; Q304-S308 PolarHBondContact O-OG 3.36Å; C305-S308 WeakPolarHBondContact CA-OG 3.44Å; C305-S308 PolarHBondContact O-N 3.43Å; C305-S308 PolarHBondContact O-OG 2.98Å; S308-R310 VanDerWaalsContact C-N 3.3Å; S308-R310 PolarHBondContact O-N 3Å; S308-M311 PolarHBondContact O-N 2.94Å; S308-S312 WeakPolarHBondContact O-CB 3.33Å; S308-S312 PolarHBondContact O-N 2.8Å
309	T	68.7	Low	66	Low	21 Å²	21	97 Å²	97	13%	0.129	48%	0.483	C	S	.	.	H	α-helix	trans	-57.4	-43.6	171.1	-63.1	0	0	0	0	111	C305 E326	C305-T309 WeakPolarHBondContact O-CB 3.47Å; C305-T309 PolarHBondContact O-N 3.09Å; C305-T309 PolarHBondContact O-OG1 2.72Å; C305-T309 VanDerWaalsContact O-OG1 3.12Å; T309-E326 HydrophobicContact CG2-CB 4.29Å; T309-E326 HydrophobicContact CG2-CG 4.38Å
310	R	67.5	Low	64.5	Low	111 Å²	111	96.2 Å²	96.2	42%	0.419	49%	0.489	S	S	.	.	H	α-helix	trans	-72.6	-34.5	-178.9	-164.2	175.1	-175.2	-174	-2.7	114	Y306 F307 S308	Y306-R310 VanDerWaalsContact O-CB 3.28Å; Y306-R310 WeakPolarHBondContact O-CB 3.47Å; Y306-R310 PolarHBondContact O-N 2.63Å; Y306-R310 PolarHBondContact OH-NH1 2.83Å; Y306-R310 VanDerWaalsContact OH-NH1 3.15Å; F307-R310 PolarHBondContact O-N 3.04Å; S308-R310 VanDerWaalsContact C-N 3.3Å; S308-R310 PolarHBondContact O-N 3Å
311	M	60.3	Low	63	Low	130 Å²	130	94 Å²	94	64%	0.64	49%	0.49	S	S	*	.	H	α-helix	trans	-82.2	-21.5	178.8	-71.3	-167.4	77.1	0	0	113.4	F307 S308 R313	F307-M311 WeakPolarHBondContact O-CB 3.35Å; F307-M311 VanDerWaalsContact O-CG 3.31Å; F307-M311 WeakPolarHBondContact O-CG 3.4Å; F307-M311 PolarHBondContact O-N 3.21Å; S308-M311 PolarHBondContact O-N 2.94Å; M311-R313 PolarHBondContact O-N 2.97Å
312	S	55.4	Low	61.9	Low	92 Å²	92	96.1 Å²	96.1	64%	0.643	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.7	-175.2	-173.9	0	0	0	0	115	S308	S308-S312 WeakPolarHBondContact O-CB 3.33Å; S308-S312 PolarHBondContact O-N 2.8Å
313	R	51.7	Low	60.9	Low	160 Å²	160	97.8 Å²	97.8	60%	0.604	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.6	49	-177.3	-60.1	-167.3	-169.3	-156.2	5.1	114.1	M311 S315	M311-R313 PolarHBondContact O-N 2.97Å; R313-S315 PolarHBondContact O-N 2.67Å
314	I	49.2	Very low	60.3	Low	139 Å²	139	96.1 Å²	96.1	71%	0.713	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.2	166.4	-63.5	175.3	0	0	0	111.4
315	S	47.2	Very low	60	Low	110 Å²	110	93.8 Å²	93.8	77%	0.769	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-5.8	-179.6	60.1	0	0	0	0	115.9	R313	R313-S315 PolarHBondContact O-N 2.67Å
316	D	40.7	Very low	59.8	Low	105 Å²	105	98.5 Å²	98.5	56%	0.561	52%	0.52	S	S	*	.			trans	-128.7	110.1	-175.9	-111.8	-29.7	0	0	0	109.7	S318	D316-S318 PolarHBondContact O-N 3.22Å
317	D	41.3	Very low	59.9	Low	182 Å²	182	97.7 Å²	97.7	97%	0.973	52%	0.518	S	S	*	.			trans	-78.5	36.2	-171	-154	13	0	0	0	113
318	S	43.3	Very low	60	Low	78 Å²	78	95.1 Å²	95.1	55%	0.545	51%	0.507	S	S	.	.	S	Bend	trans	-135.5	110.4	-168	-168.7	0	0	0	0	112	D316	D316-S318 PolarHBondContact O-N 3.22Å
319	R	48.6	Very low	60.5	Low	195 Å²	195	97 Å²	97	74%	0.736	51%	0.509	S	S	*	.			trans	75.4	87.5	165.4	-53.5	172.1	-174.1	-170.1	0.4	116.4	A321 S322	R319-A321 VanDerWaalsContact C-N 3.3Å; R319-A321 PolarHBondContact O-N 3.42Å; R319-S322 PolarHBondContact O-OG 3.02Å
320	T	52.1	Low	61.2	Low	108 Å²	108	96.3 Å²	96.3	66%	0.663	51%	0.505	S	S	*	.	S	Bend	trans	-65.7	-26.9	164.3	48.4	0	0	0	0	114	S322 Q323	T320-S322 PolarHBondContact O-N 2.78Å; T320-Q323 PolarHBondContact O-N 3.04Å
321	A	51.4	Low	62	Low	70 Å²	70	93.3 Å²	93.3	58%	0.579	50%	0.497	S	S	*	.	H	α-helix	trans	-62.8	-44	-176	0	0	0	0	0	113.5	R319 Q323 L324	R319-A321 VanDerWaalsContact C-N 3.3Å; R319-A321 PolarHBondContact O-N 3.42Å; A321-Q323 PolarHBondContact O-N 3.46Å; A321-L324 PolarHBondContact O-N 3.35Å
322	S	59.7	Low	63.2	Low	60 Å²	60	90.7 Å²	90.7	42%	0.42	49%	0.491	S	S	.	.	H	α-helix	trans	-68.6	-17	-177.7	44.5	0	0	0	0	114.2	R319 T320 D325 E326	R319-S322 PolarHBondContact O-OG 3.02Å; T320-S322 PolarHBondContact O-N 2.78Å; S322-D325 PolarHBondContact O-N 2.98Å; S322-E326 PolarHBondContact O-N 3.02Å
323	Q	63.8	Low	64.7	Low	49 Å²	49	88.9 Å²	88.9	23%	0.229	47%	0.472	C	S	.	.	H	α-helix	trans	-72.6	-33.7	179.4	-59.1	177	-1.8	0	0	111.9	T320 A321 F327	T320-Q323 PolarHBondContact O-N 3.04Å; A321-Q323 PolarHBondContact O-N 3.46Å; Q323-F327 PolarHBondContact O-N 2.91Å
324	L	71.9	Confident	66.4	Low	50 Å²	50	81.3 Å²	81.3	26%	0.262	44%	0.444	S	S	.	.	H	α-helix	trans	-77.3	-31.3	173.9	-71.9	175.5	0	0	0	111.8	E266 Y306 A321 F327 Q328	E266-L324 HydrophobicContact CB-CD1 3.74Å; E266-L324 HydrophobicContact CG-CD1 3.95Å; Y306-L324 HydrophobicContact CE2-CD2 4.02Å; A321-L324 PolarHBondContact O-N 3.35Å; L324-F327 PolarHBondContact O-N 3.12Å; L324-Q328 VanDerWaalsContact O-CB 3.25Å; L324-Q328 WeakPolarHBondContact O-CB 3.43Å; L324-Q328 PolarHBondContact O-N 3.26Å
325	D	75.8	Confident	68	Low	81 Å²	81	76.4 Å²	76.4	43%	0.433	42%	0.42	S	S	.	.	H	α-helix	trans	-62.6	-44	175.5	-68	-39.4	0	0	0	111.2	S322 Q328 E329	S322-D325 PolarHBondContact O-N 2.98Å; D325-Q328 PolarHBondContact O-N 3.04Å; D325-E329 WeakPolarHBondContact O-CB 3.32Å; D325-E329 PolarHBondContact O-N 3.14Å
326	E	74.5	Confident	69.9	Low	109 Å²	109	74.9 Å²	74.9	51%	0.509	40%	0.398	S	S	.	.	H	α-helix	trans	-63	-42	176.3	-172.3	-177	163.5	0	0	112.3	T309 S322 E329 C330	T309-E326 HydrophobicContact CG2-CB 4.29Å; T309-E326 HydrophobicContact CG2-CG 4.38Å; S322-E326 PolarHBondContact O-N 3.02Å; E326-E329 PolarHBondContact O-N 3.26Å; E326-C330 WeakPolarHBondContact O-CB 2.87Å; E326-C330 PolarHBondContact O-N 3.16Å
327	F	81.5	Confident	72.1	Confident	38 Å²	38	70.3 Å²	70.3	17%	0.167	37%	0.372	C	S	.	.	H	α-helix	trans	-69.3	-36.1	175.4	-177.4	-111.9	0	0	0	112.5	L302 C305 Y306 Q323 L324 C330 L331	L302-F327 HydrophobicContact CB-CE2 4.46Å; L302-F327 HydrophobicContact CB-CZ 4.46Å; L302-F327 HydrophobicContact CD2-CE2 4.39Å; L302-F327 WeakPolarHBondContact O-CE2 3.02Å; C305-F327 HydrophobicContact CB-CE2 4.47Å; Y306-F327 AromaticContact CD2-CD1 3.97Å; Y306-F327 HydrophobicContact CD2-CD1 3.97Å; Y306-F327 HydrophobicContact CD2-CD2 4.39Å; Y306-F327 HydrophobicContact CD2-CE1 4.23Å; Y306-F327 HydrophobicContact CD2-CG 4.05Å; Q323-F327 PolarHBondContact O-N 2.91Å; L324-F327 PolarHBondContact O-N 3.12Å; F327-C330 WeakPolarHBondContact O-CB 3.45Å; F327-C330 PolarHBondContact O-N 3.23Å; F327-L331 HydrophobicContact CD1-CD1 3.97Å; F327-L331 HydrophobicContact CE1-CD1 3.51Å; F327-L331 HydrophobicContact CE1-CG 4.21Å; F327-L331 HydrophobicContact CE2-CG 4.48Å; F327-L331 HydrophobicContact CZ-CD1 3.88Å; F327-L331 HydrophobicContact CZ-CD2 4.46Å; F327-L331 HydrophobicContact CZ-CG 4.13Å; F327-L331 PolarHBondContact O-N 3.19Å
328	Q	81.8	Confident	74.2	Confident	48 Å²	48	64.1 Å²	64.1	22%	0.224	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-40.9	172.3	173.4	171.4	-24.8	0	0	111.2	N274 L324 D325 L331 S332	N274-Q328 PolarHBondContact OD1-NE2 3.09Å; L324-Q328 VanDerWaalsContact O-CB 3.25Å; L324-Q328 WeakPolarHBondContact O-CB 3.43Å; L324-Q328 PolarHBondContact O-N 3.26Å; D325-Q328 PolarHBondContact O-N 3.04Å; Q328-L331 PolarHBondContact O-N 2.99Å; Q328-S332 VanDerWaalsContact O-CB 3.31Å; Q328-S332 WeakPolarHBondContact O-CB 3.5Å; Q328-S332 PolarHBondContact O-N 2.97Å
329	E	83.9	Confident	76.2	Confident	100 Å²	100	63.2 Å²	63.2	47%	0.467	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-44.6	174.9	-171.3	-177.8	165.9	0	0	111.2	D325 E326 L331 S332 K333	D325-E329 WeakPolarHBondContact O-CB 3.32Å; D325-E329 PolarHBondContact O-N 3.14Å; E326-E329 PolarHBondContact O-N 3.26Å; E329-L331 PolarHBondContact O-N 3.09Å; E329-S332 WeakPolarHBondContact O-CB 3.46Å; E329-S332 PolarHBondContact O-N 3.34Å; E329-S332 VanDerWaalsContact O-N 3.15Å; E329-K333 HydrophobicContact CG-CD 4.09Å; E329-K333 WeakPolarHBondContact O-CB 3.44Å; E329-K333 WeakPolarHBondContact O-CG 3.44Å; E329-K333 PolarHBondContact O-N 2.65Å; E329-K333 WeakPolarHBondContact OE1-CE 3.48Å; E329-K333 IonicContact OE1-NZ 3.9Å; E329-K333 PolarHBondContact OE1-NZ 2.89Å
330	C	84.6	Confident	78.2	Confident	7 Å²	7	55.3 Å²	55.3	5%	0.047	31%	0.306	C	S	.	.	H	α-helix	trans	-55.7	-48.5	173.3	179.3	0	0	0	0	112.2	E326 F327 S332 F334	E326-C330 WeakPolarHBondContact O-CB 2.87Å; E326-C330 PolarHBondContact O-N 3.16Å; F327-C330 WeakPolarHBondContact O-CB 3.45Å; F327-C330 PolarHBondContact O-N 3.23Å; C330-S332 PolarHBondContact O-N 2.97Å; C330-F334 WeakPolarHBondContact O-CB 3.49Å; C330-F334 PolarHBondContact O-N 3.33Å
331	L	83.8	Confident	80.2	Confident	48 Å²	48	57.3 Å²	57.3	25%	0.251	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-39.4	174.6	-77.5	171	0	0	0	112.7	L295 L302 F327 Q328 E329 T335	L295-L331 HydrophobicContact CD2-CD2 3.92Å; L302-L331 HydrophobicContact CD1-CD2 3.87Å; L302-L331 HydrophobicContact CD2-CD2 3.62Å; L302-L331 HydrophobicContact CD2-CG 4.43Å; L302-L331 HydrophobicContact CG-CD2 4.36Å; F327-L331 HydrophobicContact CD1-CD1 3.97Å; F327-L331 HydrophobicContact CE1-CD1 3.51Å; F327-L331 HydrophobicContact CE1-CG 4.21Å; F327-L331 HydrophobicContact CE2-CG 4.48Å; F327-L331 HydrophobicContact CZ-CD1 3.88Å; F327-L331 HydrophobicContact CZ-CD2 4.46Å; F327-L331 HydrophobicContact CZ-CG 4.13Å; F327-L331 PolarHBondContact O-N 3.19Å; Q328-L331 PolarHBondContact O-N 2.99Å; E329-L331 PolarHBondContact O-N 3.09Å; L331-T335 WeakPolarHBondContact O-CB 3.32Å; L331-T335 WeakPolarHBondContact O-CG2 3.36Å; L331-T335 PolarHBondContact O-N 2.85Å; L331-T335 PolarHBondContact O-OG1 3.2Å
332	S	85.5	Confident	82.1	Confident	75 Å²	75	56.7 Å²	56.7	52%	0.524	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-49.3	178.6	-170.6	0	0	0	0	111.1	Q328 E329 C330 T335 R336	Q328-S332 VanDerWaalsContact O-CB 3.31Å; Q328-S332 WeakPolarHBondContact O-CB 3.5Å; Q328-S332 PolarHBondContact O-N 2.97Å; E329-S332 WeakPolarHBondContact O-CB 3.46Å; E329-S332 PolarHBondContact O-N 3.34Å; E329-S332 VanDerWaalsContact O-N 3.15Å; C330-S332 PolarHBondContact O-N 2.97Å; S332-T335 PolarHBondContact O-N 2.84Å; S332-R336 PolarHBondContact O-N 3.33Å
333	K	87	Confident	83.7	Confident	55 Å²	55	56.5 Å²	56.5	24%	0.239	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-47.3	176.8	-69.9	176.7	172.5	178.6	0	111.5	E329 T335 R336 D588 Y589 Y603	E329-K333 HydrophobicContact CG-CD 4.09Å; E329-K333 WeakPolarHBondContact O-CB 3.44Å; E329-K333 WeakPolarHBondContact O-CG 3.44Å; E329-K333 PolarHBondContact O-N 2.65Å; E329-K333 WeakPolarHBondContact OE1-CE 3.48Å; E329-K333 IonicContact OE1-NZ 3.9Å; E329-K333 PolarHBondContact OE1-NZ 2.89Å; K333-T335 VanDerWaalsContact C-N 3.27Å; K333-T335 PolarHBondContact O-N 2.98Å; K333-R336 VanDerWaalsContact O-CB 3.32Å; K333-R336 WeakPolarHBondContact O-CB 3.14Å; K333-R336 PolarHBondContact O-N 3.48Å; K333-D588 WeakPolarHBondContact CD-OD2 3.33Å; K333-D588 VanDerWaalsContact CE-OD2 3.27Å; K333-D588 WeakPolarHBondContact CE-OD2 3.23Å; K333-D588 IonicContact NZ-OD2 3.95Å; K333-D588 PolarHBondContact NZ-OD2 3.16Å; K333-Y589 WeakPolarHBondContact CA-OH 3.44Å; K333-Y589 PolarHBondContact O-OH 3.16Å; K333-Y603 HydrophobicContact CB-CD2 3.99Å; K333-Y603 HydrophobicContact CB-CE2 3.5Å; K333-Y603 HydrophobicContact CD-CE2 3.85Å; K333-Y603 HydrophobicContact CG-CE2 4.28Å
334	F	86	Confident	85	Confident	1 Å²	1	54.6 Å²	54.6	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-57.2	-37.7	175.4	173.1	-111.8	0	0	0	113.4	L295 H298 C330 Y603 L606 L610	L295-F334 HydrophobicContact CD2-CE1 4.45Å; H298-F334 HydrophobicContact CB-CE1 4.27Å; H298-F334 HydrophobicContact CB-CZ 3.98Å; H298-F334 AromaticContact CD2-CZ 3.55Å; H298-F334 AromaticContact CE1-CE2 3.5Å; H298-F334 VanDerWaalsContact CE1-CE2 3.5Å; H298-F334 WeakPolarHBondContact CE1-CE2 3.14Å; H298-F334 AromaticContact CE1-CZ 3.67Å; H298-F334 AromaticContact CG-CE2 3.9Å; H298-F334 AromaticContact CG-CZ 3.4Å; H298-F334 AromaticContact ND1-CE2 3.46Å; H298-F334 WeakPolarHBondContact ND1-CE2 3.28Å; H298-F334 AromaticContact ND1-CZ 3.49Å; H298-F334 WeakPolarHBondContact ND1-CZ 3.1Å; H298-F334 AromaticContact NE2-CE2 3.96Å; H298-F334 AromaticContact NE2-CZ 3.72Å; C330-F334 WeakPolarHBondContact O-CB 3.49Å; C330-F334 PolarHBondContact O-N 3.33Å; F334-Y603 HydrophobicContact CB-CD1 4.44Å; F334-L606 HydrophobicContact CB-CD1 4.06Å; F334-L606 HydrophobicContact CD2-CD1 4.19Å; F334-L606 HydrophobicContact CD2-CD2 4.27Å; F334-L606 HydrophobicContact CE2-CD2 4.41Å; F334-L606 HydrophobicContact CG-CD1 4.15Å; F334-L610 HydrophobicContact CD2-CD1 4.16Å; F334-L610 HydrophobicContact CD2-CG 4.17Å; F334-L610 HydrophobicContact CE2-CG 4.16Å
335	T	84.1	Confident	86	Confident	35 Å²	35	55.1 Å²	55.1	22%	0.215	28%	0.284	C	S	.	.	H	α-helix	trans	-94.1	-2.1	-178.5	61	0	0	0	0	115	L295 L331 S332 K333 Y337	L295-T335 HydrophobicContact CD2-CG2 4.34Å; L331-T335 WeakPolarHBondContact O-CB 3.32Å; L331-T335 WeakPolarHBondContact O-CG2 3.36Å; L331-T335 PolarHBondContact O-N 2.85Å; L331-T335 PolarHBondContact O-OG1 3.2Å; S332-T335 PolarHBondContact O-N 2.84Å; K333-T335 VanDerWaalsContact C-N 3.27Å; K333-T335 PolarHBondContact O-N 2.98Å; T335-Y337 PolarHBondContact O-N 3.35Å
336	R	86.3	Confident	86.8	Confident	79 Å²	79	51.6 Å²	51.6	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-54.2	-52.4	-178.7	179.9	178.3	169.9	131.9	-3.4	111.9	S332 K333 Y589 E647 N649	S332-R336 PolarHBondContact O-N 3.33Å; K333-R336 VanDerWaalsContact O-CB 3.32Å; K333-R336 WeakPolarHBondContact O-CB 3.14Å; K333-R336 PolarHBondContact O-N 3.48Å; R336-Y589 WeakPolarHBondContact CD-OH 3.3Å; R336-E647 IonicContact CZ-OE1 2.82Å; R336-E647 IonicContact CZ-OE2 3.83Å; R336-E647 IonicContact NH1-OE1 3.28Å; R336-E647 PolarHBondContact NH1-OE1 3.44Å; R336-E647 IonicContact NH1-OE2 3.17Å; R336-E647 PolarHBondContact NH1-OE2 3.08Å; R336-E647 VanDerWaalsContact NH1-OE2 3.14Å; R336-E647 VanDerWaalsContact NH2-CD 3.27Å; R336-E647 IonicContact NH2-OE1 3.96Å; R336-E647 IonicContact NH2-OE2 2.73Å; R336-E647 PolarHBondContact NH2-OE2 2.83Å; R336-N649 PolarHBondContact NH2-OD1 3.23Å
337	Y	86.7	Confident	87.5	Confident	8 Å²	8	49.7 Å²	49.7	3%	0.031	26%	0.264	C	S	.	.			trans	-100.5	150.7	178	-52.6	-58.6	0	0	0	111.1	R294 T335 Y589 N649 L665	R294-Y337 PolarHBondContact NH1-O 3Å; T335-Y337 PolarHBondContact O-N 3.35Å; Y337-Y589 HydrophobicContact CD2-CD1 4.33Å; Y337-Y589 AromaticContact CD2-CE1 3.88Å; Y337-Y589 HydrophobicContact CD2-CE1 3.88Å; Y337-Y589 HydrophobicContact CD2-CE2 4.5Å; Y337-Y589 AromaticContact CD2-CZ 3.99Å; Y337-Y589 HydrophobicContact CE2-CD1 4.29Å; Y337-Y589 HydrophobicContact CE2-CD2 4.09Å; Y337-Y589 AromaticContact CE2-CE1 3.91Å; Y337-Y589 HydrophobicContact CE2-CE1 3.91Å; Y337-Y589 AromaticContact CE2-CE2 3.7Å; Y337-Y589 HydrophobicContact CE2-CE2 3.7Å; Y337-Y589 HydrophobicContact CE2-CG 4.38Å; Y337-Y589 AromaticContact CE2-CZ 3.61Å; Y337-N649 HydrophobicContact CE1-CB 4.24Å; Y337-N649 PolarHBondContact OH-OD1 3.05Å; Y337-L665 HydrophobicContact CD1-CB 3.5Å; Y337-L665 VanDerWaalsContact CD1-CB 3.5Å; Y337-L665 HydrophobicContact CD2-CB 4.19Å; Y337-L665 HydrophobicContact CD2-CD1 3.78Å; Y337-L665 HydrophobicContact CE1-CB 3.72Å; Y337-L665 HydrophobicContact CE2-CB 4.36Å; Y337-L665 HydrophobicContact CE2-CD1 3.79Å; Y337-L665 HydrophobicContact CG-CB 3.75Å; Y337-L665 HydrophobicContact CG-CD1 4.17Å
338	N	85	Confident	87.8	Confident	53 Å²	53	47.9 Å²	47.9	28%	0.283	26%	0.256	S	S	.	.			trans	-145.1	-20.1	-176.7	75.8	100.2	0	0	0	113.9	R294 V666	R294-N338 VanDerWaalsContact NH2-CB 3.33Å; N338-V666 CarbonylContact C-O 3.57Å; N338-V666 PolarHBondContact N-O 2.69Å; N338-V666 VanDerWaalsContact ND2-C 3.33Å; N338-V666 PolarHBondContact ND2-O 3.13Å; N338-V666 PolarHBondContact ND2-OXT 3.41Å; N338-V666 VanDerWaalsContact ND2-OXT 3.09Å
339	S	85.4	Confident	87.9	Confident	58 Å²	58	47.2 Å²	47.2	41%	0.406	26%	0.258	S	S	.	.			trans	-141.2	174.3	177.4	-164.3	0	0	0	0	111.2	V666	S339-V666 PolarHBondContact N-O 3.25Å; S339-V666 PolarHBondContact O-N 3.32Å
340	V	92.1	Very high	86.8	Confident	29 Å²	29	45.2 Å²	45.2	18%	0.176	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.6	179.9	-81.8	0	0	0	0	108.2	L611 F613 E664 L665	V340-L611 HydrophobicContact CG1-CD1 3.53Å; V340-L611 HydrophobicContact CG1-CD2 4.12Å; V340-L611 HydrophobicContact CG1-CG 4.44Å; V340-F613 HydrophobicContact CB-CB 4.45Å; V340-F613 HydrophobicContact CB-CD2 4.21Å; V340-F613 HydrophobicContact CG2-CB 3.99Å; V340-F613 HydrophobicContact CG2-CD2 3.76Å; V340-F613 HydrophobicContact CG2-CG 4.36Å; V340-E664 CarbonylContact C-O 3.58Å; V340-E664 WeakPolarHBondContact CA-O 3.33Å; V340-L665 HydrophobicContact CG1-CD2 3.65Å
341	R	92.6	Very high	85.6	Confident	150 Å²	150	48.7 Å²	48.7	57%	0.566	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.9	-179	179.9	-176.8	179.7	-173.7	-0.3	109.8	L343 E664 V666	R341-L343 HydrophobicContact CG-CD2 4.43Å; R341-L343 PolarHBondContact O-N 3.27Å; R341-E664 HydrophobicContact CB-CB 4.38Å; R341-E664 PolarHBondContact N-O 3.39Å; R341-E664 PolarHBondContact O-N 2.74Å; R341-V666 HydrophobicContact CB-CG2 3.97Å
342	P	92.9	Very high	84.2	Confident	58 Å²	58	54.9 Å²	54.9	38%	0.377	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	131.7	166.1	-20.3	33.5	0	0	0	110.8	F613 V662 L663	P342-F613 HydrophobicContact CG-CE2 3.77Å; P342-F613 HydrophobicContact CG-CZ 4.1Å; P342-V662 WeakPolarHBondContact CA-O 3.46Å; P342-L663 HydrophobicContact CB-CD2 4.18Å; P342-L663 HydrophobicContact CG-CD2 4.11Å
343	L	92.3	Very high	82.9	Confident	55 Å²	55	61.9 Å²	61.9	29%	0.288	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-47	172.6	-59	-174.5	0	0	0	110.9	R341 I389 V650 V662 E664	R341-L343 HydrophobicContact CG-CD2 4.43Å; R341-L343 PolarHBondContact O-N 3.27Å; L343-I389 HydrophobicContact CB-CG2 4.18Å; L343-I389 HydrophobicContact CD1-CG2 4.41Å; L343-V650 HydrophobicContact CD1-CG2 4.39Å; L343-V662 HydrophobicContact CB-CB 4.28Å; L343-V662 HydrophobicContact CB-CG1 4.17Å; L343-V662 HydrophobicContact CD1-CG1 4.18Å; L343-V662 PolarHBondContact N-O 3.3Å; L343-E664 HydrophobicContact CD1-CB 4.1Å; L343-E664 HydrophobicContact CD2-CB 4Å; L343-E664 HydrophobicContact CG-CB 4.01Å
344	A	92.4	Very high	81.4	Confident	10 Å²	10	63 Å²	63	8%	0.083	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	158.2	-179.3	0	0	0	0	0	111.4	V388 K661 V662	A344-V388 HydrophobicContact CB-CG1 3.71Å; A344-V388 VanDerWaalsContact CB-O 3.22Å; A344-V388 WeakPolarHBondContact CB-O 3.36Å; A344-K661 WeakPolarHBondContact O-CA 3.17Å; A344-V662 HydrophobicContact CB-CB 4.23Å; A344-V662 HydrophobicContact CB-CG2 4.02Å; A344-V662 PolarHBondContact O-N 3.25Å
345	T	92.2	Very high	80.5	Confident	61 Å²	61	67.2 Å²	67.2	37%	0.374	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.8	174.3	-57.8	0	0	0	0	109.5	T659 I660 K661	T345-T659 HydrophobicContact CG2-CG2 4.02Å; T345-I660 CarbonylContact C-O 3.57Å; T345-I660 WeakPolarHBondContact CA-O 3.41Å; T345-K661 HydrophobicContact CG2-CG 4.04Å; T345-K661 PolarHBondContact OG1-NZ 2.99Å
346	L	91.4	Very high	80.6	Confident	7 Å²	7	68 Å²	68	4%	0.037	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	158.6	-180	-44.1	86.1	0	0	0	110.6	F371 Y383 V388 H396 I660 V662	L346-F371 HydrophobicContact CD2-CZ 4.17Å; L346-Y383 HydrophobicContact CD2-CD1 3.98Å; L346-Y383 HydrophobicContact CD2-CE1 3.95Å; L346-Y383 HydrophobicContact CD2-CG 4.29Å; L346-V388 HydrophobicContact CD1-CG1 3.88Å; L346-V388 HydrophobicContact CD2-CG1 3.92Å; L346-V388 HydrophobicContact CD2-CG2 3.88Å; L346-V388 HydrophobicContact CG-CG1 4.18Å; L346-H396 HydrophobicContact CD2-CB 3.94Å; L346-H396 HydrophobicContact CG-CB 4.42Å; L346-I660 HydrophobicContact CB-CB 4.17Å; L346-I660 HydrophobicContact CB-CD1 4.08Å; L346-I660 HydrophobicContact CD1-CB 4.21Å; L346-I660 HydrophobicContact CD1-CG2 3.92Å; L346-I660 PolarHBondContact N-O 3.27Å; L346-I660 PolarHBondContact O-N 3.03Å; L346-V662 HydrophobicContact CD1-CG2 4.28Å
347	S	90.5	Very high	80.8	Confident	68 Å²	68	65 Å²	65	48%	0.476	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128	170	178.8	0	0	0	0	110.9	A349	S347-A349 PolarHBondContact OG-N 2.84Å; S347-A349 PolarHBondContact OG-O 2.86Å
348	Y	88.5	Confident	81.2	Confident	1 Å²	1	66.8 Å²	66.8	0%	0.004	38%	0.382	C	S	.	.	S	Bend	trans	-73	-30.4	173.3	-171.9	-121.5	0	0	0	112.2	S350 S357 V359 I373 G375 T377 K379 K381 G658	Y348-S350 PolarHBondContact O-N 3.45Å; Y348-S357 WeakPolarHBondContact CD1-O 3.44Å; Y348-V359 HydrophobicContact CD1-CG2 3.82Å; Y348-V359 HydrophobicContact CD2-CG2 4.16Å; Y348-V359 HydrophobicContact CE1-CG2 4.47Å; Y348-V359 HydrophobicContact CG-CG2 3.63Å; Y348-I373 HydrophobicContact CD2-CB 4.31Å; Y348-I373 HydrophobicContact CD2-CG2 3.59Å; Y348-I373 HydrophobicContact CE2-CB 4.28Å; Y348-I373 HydrophobicContact CE2-CG2 3.75Å; Y348-I373 HydrophobicContact CG-CG2 4.43Å; Y348-G375 WeakPolarHBondContact OH-CA 3.37Å; Y348-G375 PolarHBondContact OH-N 3.3Å; Y348-T377 HydrophobicContact CD1-CG2 4.02Å; Y348-T377 HydrophobicContact CE1-CG2 3.68Å; Y348-T377 WeakPolarHBondContact CE1-OG1 3.29Å; Y348-T377 PolarHBondContact OH-OG1 2.89Å; Y348-K379 PolarHBondContact OH-O 3Å; Y348-K381 HydrophobicContact CD2-CD 4.3Å; Y348-K381 HydrophobicContact CE2-CD 4.37Å; Y348-K381 PolarHBondContact O-NZ 3.13Å; Y348-G658 WeakPolarHBondContact CB-O 3.44Å; Y348-G658 PolarHBondContact N-O 3.48Å
349	A	82.1	Confident	81.8	Confident	34 Å²	34	64.2 Å²	64.2	28%	0.281	37%	0.369	S	S	.	.			trans	-73.1	120.4	179.5	0	0	0	0	0	111.1	S347	S347-A349 PolarHBondContact OG-N 2.84Å; S347-A349 PolarHBondContact OG-O 2.86Å
350	S	62.5	Low	82.3	Confident	57 Å²	57	62.7 Å²	62.7	40%	0.399	36%	0.358	S	S	.	.			trans	-84.1	-28.3	168.9	41.3	0	0	0	0	113.1	Y348 K379	Y348-S350 PolarHBondContact O-N 3.45Å; S350-K379 PolarHBondContact OG-NZ 2.93Å
351	D	58.4	Low	82.6	Confident	81 Å²	81	61.8 Å²	61.8	43%	0.433	35%	0.353	S	S	.	.			trans	-130.1	128.5	-163.8	-54.9	-80.9	0	0	0	111.3	Y353 N354	D351-Y353 PolarHBondContact O-N 2.84Å; D351-N354 PolarHBondContact O-N 3.06Å
352	L	54.9	Low	82.9	Confident	177 Å²	177	54.8 Å²	54.8	93%	0.927	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-11.9	178.4	-72	85.7	0	0	0	113.7
353	Y	57	Low	83.1	Confident	223 Å²	223	53.9 Å²	53.9	88%	0.875	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-10.2	-177.5	-65.1	-78.3	0	0	0	114.3	D351 G355	D351-Y353 PolarHBondContact O-N 2.84Å; Y353-G355 PolarHBondContact O-N 3.27Å
354	N	55.7	Low	83.4	Confident	78 Å²	78	52 Å²	52	42%	0.417	31%	0.307	S	S	.	.			trans	-82.1	106.8	177.4	-97.8	-6.8	0	0	0	111	D351 S356	D351-N354 PolarHBondContact O-N 3.06Å; N354-S356 PolarHBondContact O-N 3.46Å
355	G	68	Low	83.6	Confident	89 Å²	89	51.8 Å²	51.8	92%	0.918	30%	0.304	S	S	*	.	S	Bend	trans	-67	1.5	-178.7	0	0	0	0	0	116.5	Y353	Y353-G355 PolarHBondContact O-N 3.27Å
356	S	85.8	Confident	83.6	Confident	51 Å²	51	54 Å²	54	36%	0.357	31%	0.306	S	S	.	.			trans	-156.4	133.9	172.1	-170.1	0	0	0	0	111.3	N354 V376	N354-S356 PolarHBondContact O-N 3.46Å; S356-V376 WeakPolarHBondContact O-CG2 3.43Å
357	S	91.5	Very high	83.7	Confident	17 Å²	17	56.1 Å²	56.1	12%	0.119	32%	0.317	C	S	.	.			trans	-129.7	23	-172.8	43.8	0	0	0	0	112.2	Y348 V359 Q657 G658	Y348-S357 WeakPolarHBondContact CD1-O 3.44Å; S357-V359 PolarHBondContact O-N 3.38Å; S357-Q657 PolarHBondContact OG-O 2.72Å; S357-G658 WeakPolarHBondContact O-CA 3.35Å
358	I	94.3	Very high	83.9	Confident	45 Å²	45	53.1 Å²	53.1	23%	0.231	30%	0.296	C	S	.	.			trans	-58	121.8	179.5	-56.5	165.6	0	0	0	110.2	G375 V376 F634 S656	I358-G375 WeakPolarHBondContact O-CA 3.36Å; I358-V376 HydrophobicContact CB-CG1 4.07Å; I358-V376 HydrophobicContact CB-CG2 4.05Å; I358-V376 PolarHBondContact O-N 3.3Å; I358-F634 HydrophobicContact CD1-CZ 4.25Å; I358-F634 HydrophobicContact CG2-CZ 4.3Å; I358-S656 WeakPolarHBondContact CG1-O 3.24Å
359	V	96.8	Very high	84.2	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	124.4	168.6	177.3	0	0	0	0	108.4	Y348 S357 I362 I373 A374 S636 A637 A654 I660	Y348-V359 HydrophobicContact CD1-CG2 3.82Å; Y348-V359 HydrophobicContact CD2-CG2 4.16Å; Y348-V359 HydrophobicContact CE1-CG2 4.47Å; Y348-V359 HydrophobicContact CG-CG2 3.63Å; S357-V359 PolarHBondContact O-N 3.38Å; V359-I362 HydrophobicContact CG1-CD1 4.21Å; V359-I362 HydrophobicContact CG1-CG1 3.77Å; V359-I373 HydrophobicContact CB-CG2 4.37Å; V359-I373 HydrophobicContact CG1-CG2 3.52Å; V359-I373 HydrophobicContact CG2-CG2 3.88Å; V359-A374 WeakPolarHBondContact CG1-O 3.49Å; V359-S636 VanDerWaalsContact O-CB 3.24Å; V359-S636 WeakPolarHBondContact O-CB 3.23Å; V359-S636 PolarHBondContact O-OG 3.38Å; V359-A637 HydrophobicContact CB-CB 4.45Å; V359-A637 HydrophobicContact CG1-CB 3.78Å; V359-A654 HydrophobicContact CB-CB 3.75Å; V359-A654 HydrophobicContact CG1-CB 3.94Å; V359-A654 HydrophobicContact CG2-CB 3.86Å; V359-I660 HydrophobicContact CG2-CG1 4.27Å
360	S	97.1	Very high	84.9	Confident	26 Å²	26	56.3 Å²	56.3	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-30.8	179.3	56.5	0	0	0	0	112.5	A374 G375 I408 S409	S360-A374 PolarHBondContact N-O 3.38Å; S360-A374 PolarHBondContact OG-O 3.07Å; S360-G375 WeakPolarHBondContact OG-CA 3.23Å; S360-G375 PolarHBondContact OG-N 2.91Å; S360-I408 WeakPolarHBondContact CB-O 3.33Å; S360-I408 PolarHBondContact OG-O 3.44Å; S360-S409 WeakPolarHBondContact CB-O 3.4Å; S360-S409 PolarHBondContact OG-O 3.09Å
361	S	98	Very high	86.5	Confident	10 Å²	10	53.6 Å²	53.6	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	142.2	-173.2	-176.7	0	0	0	0	111.7	A374 I411	S361-A374 PolarHBondContact N-O 3.14Å; S361-A374 PolarHBondContact O-N 3.36Å; S361-I411 VanDerWaalsContact OG-CG1 3.25Å; S361-I411 WeakPolarHBondContact OG-CG1 3.43Å; S361-I411 PolarHBondContact OG-N 3.5Å; S361-I411 VanDerWaalsContact OG-N 3.14Å
362	I	98.4	Very high	88.4	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.3	174.5	-53.4	172.7	0	0	0	104.8	V359 F371 A372 I373 A637 C639 I652 A654	V359-I362 HydrophobicContact CG1-CD1 4.21Å; V359-I362 HydrophobicContact CG1-CG1 3.77Å; I362-F371 HydrophobicContact CG2-CD2 4.45Å; I362-A372 WeakPolarHBondContact CA-O 3.31Å; I362-I373 HydrophobicContact CG1-CG2 4.44Å; I362-A637 HydrophobicContact CD1-CB 4.05Å; I362-A637 HydrophobicContact CG1-CB 3.94Å; I362-C639 HydrophobicContact CB-CB 4Å; I362-C639 HydrophobicContact CG2-CB 4Å; I362-C639 VanDerWaalsContact O-CB 3.23Å; I362-C639 WeakPolarHBondContact O-CB 3.4Å; I362-I652 HydrophobicContact CD1-CG2 3.91Å; I362-I652 HydrophobicContact CG2-CB 4.32Å; I362-I652 HydrophobicContact CG2-CG2 4.27Å; I362-A654 HydrophobicContact CD1-CB 3.83Å
363	E	98.1	Very high	90.5	Very high	39 Å²	39	41.3 Å²	41.3	18%	0.182	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	144	170.7	-66.6	-65.5	179.1	0	0	109.3	A372 I411 W413 K541 C639	E363-A372 PolarHBondContact N-O 3.01Å; E363-A372 PolarHBondContact O-N 2.84Å; E363-I411 WeakPolarHBondContact CG-O 3.47Å; E363-W413 PolarHBondContact O-NE1 3.26Å; E363-W413 VanDerWaalsContact O-NE1 3.12Å; E363-K541 IonicContact OE1-NZ 2.63Å; E363-K541 PolarHBondContact OE1-NZ 2.92Å; E363-C639 PolarHBondContact OE2-SG 2.65Å
364	F	97.2	Very high	92.4	Very high	17 Å²	17	30.7 Å²	30.7	8%	0.075	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	152.1	173.6	-82.9	-89.7	0	0	0	111.5	C368 Y370 F371 Y385 W413 R641 I652	F364-C368 HydrophobicContact CD1-CB 4.16Å; F364-Y370 WeakPolarHBondContact CA-O 3.31Å; F364-Y370 WeakPolarHBondContact CD1-O 3.46Å; F364-F371 HydrophobicContact CD1-CB 3.83Å; F364-F371 HydrophobicContact CD2-CB 4.45Å; F364-F371 HydrophobicContact CE1-CB 3.87Å; F364-F371 HydrophobicContact CE1-CD1 4.22Å; F364-F371 HydrophobicContact CE1-CG 4.37Å; F364-F371 HydrophobicContact CE2-CB 4.47Å; F364-F371 HydrophobicContact CG-CB 4.14Å; F364-F371 HydrophobicContact CZ-CB 4.2Å; F364-Y385 AromaticContact CE1-CD2 3.77Å; F364-Y385 HydrophobicContact CE1-CD2 3.77Å; F364-Y385 HydrophobicContact CE1-CE2 4.5Å; F364-Y385 HydrophobicContact CE1-CG 4.26Å; F364-Y385 AromaticContact CZ-CD2 3.95Å; F364-Y385 HydrophobicContact CZ-CD2 3.95Å; F364-Y385 HydrophobicContact CZ-CE2 4.32Å; F364-W413 WeakPolarHBondContact O-CB 3.3Å; F364-R641 HydrophobicContact CD1-CG 4.05Å; F364-R641 HydrophobicContact CD2-CB 4.15Å; F364-R641 HydrophobicContact CD2-CG 4.41Å; F364-R641 HydrophobicContact CE1-CB 4.1Å; F364-R641 HydrophobicContact CE1-CG 3.64Å; F364-R641 HydrophobicContact CE2-CB 3.58Å; F364-R641 HydrophobicContact CE2-CG 4.04Å; F364-R641 HydrophobicContact CG-CG 4.41Å; F364-R641 HydrophobicContact CZ-CB 3.55Å; F364-R641 HydrophobicContact CZ-CG 3.63Å; F364-I652 HydrophobicContact CE1-CD1 4.36Å; F364-I652 HydrophobicContact CE2-CD1 3.8Å; F364-I652 HydrophobicContact CE2-CG1 3.94Å; F364-I652 HydrophobicContact CZ-CD1 3.44Å; F364-I652 VanDerWaalsContact CZ-CD1 3.44Å; F364-I652 HydrophobicContact CZ-CG1 3.89Å
365	D	96.6	Very high	94.3	Very high	4 Å²	4	27 Å²	27	2%	0.021	16%	0.16	C	C	.	.			trans	-66.7	169.5	165.5	91.6	-68.5	0	0	0	111.1	D367 C368 D369 Y370 W413 K418	D365-D367 PolarHBondContact O-N 2.67Å; D365-D367 PolarHBondContact OD2-N 3.26Å; D365-C368 PolarHBondContact O-N 3.1Å; D365-C368 VanDerWaalsContact O-N 3.12Å; D365-C368 WeakPolarHBondContact OD1-CA 3.39Å; D365-C368 PolarHBondContact OD1-N 2.96Å; D365-D369 PolarHBondContact OD1-N 2.98Å; D365-Y370 PolarHBondContact N-O 3.2Å; D365-Y370 PolarHBondContact OD1-N 3.31Å; D365-W413 HydrophobicContact CB-CD2 3.98Å; D365-W413 HydrophobicContact CB-CE3 4.18Å; D365-W413 HydrophobicContact CB-CG 4.35Å; D365-W413 HydrophobicContact CB-CZ2 4.43Å; D365-W413 HydrophobicContact CB-CZ3 4.5Å; D365-K418 VanDerWaalsContact OD2-CE 3.28Å; D365-K418 WeakPolarHBondContact OD2-CE 3.2Å; D365-K418 WeakPolarHBondContact OD2-CG 3.41Å
366	R	92.8	Very high	95.6	Very high	108 Å²	108	23.9 Å²	23.9	41%	0.408	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.7	-177.8	-173.1	-163.7	69.5	-167.8	-1.4	113.2	S415 Y416	R366-S415 WeakPolarHBondContact CD-O 3.44Å; R366-S415 WeakPolarHBondContact CG-O 3.16Å; R366-Y416 PolarHBondContact NH1-O 2.76Å
367	D	93.1	Very high	96	Very high	51 Å²	51	22.2 Å²	22.2	27%	0.273	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-7.6	-174	-57.8	-19.3	0	0	0	111.9	D365 D369 K418	D365-D367 PolarHBondContact O-N 2.67Å; D365-D367 PolarHBondContact OD2-N 3.26Å; D367-D369 PolarHBondContact O-N 2.9Å; D367-K418 WeakPolarHBondContact OD2-CD 3.34Å; D367-K418 WeakPolarHBondContact OD2-CE 3.48Å; D367-K418 IonicContact OD2-NZ 2.61Å; D367-K418 PolarHBondContact OD2-NZ 3.44Å
368	C	94.4	Very high	96.2	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.034	12%	0.124	C	C	.	.	S	Bend	trans	61.3	26.6	-173.9	-68.9	0	0	0	0	114.4	F364 D365 R641 L643	F364-C368 HydrophobicContact CD1-CB 4.16Å; D365-C368 PolarHBondContact O-N 3.1Å; D365-C368 VanDerWaalsContact O-N 3.12Å; D365-C368 WeakPolarHBondContact OD1-CA 3.39Å; D365-C368 PolarHBondContact OD1-N 2.96Å; C368-R641 HydrophobicContact CB-CG 3.78Å; C368-R641 VanDerWaalsContact O-CZ 3.32Å; C368-R641 PolarHBondContact O-NE 3.25Å; C368-R641 PolarHBondContact O-NH2 2.67Å; C368-L643 HydrophobicContact CB-CD2 4Å
369	D	94.6	Very high	96.2	Very high	61 Å²	61	25.6 Å²	25.6	33%	0.326	12%	0.122	S	C	.	.	S	Bend	trans	-85	-33.2	173.1	-63.8	-25.8	0	0	0	110.9	D365 D367 Y385 K418	D365-D369 PolarHBondContact OD1-N 2.98Å; D367-D369 PolarHBondContact O-N 2.9Å; D369-Y385 WeakPolarHBondContact O-CB 3.2Å; D369-Y385 PolarHBondContact O-N 3.49Å; D369-K418 IonicContact OD2-NZ 2.65Å; D369-K418 PolarHBondContact OD2-NZ 2.78Å
370	Y	96.9	Very high	96.3	Very high	41 Å²	41	25.6 Å²	25.6	16%	0.161	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.9	-179.3	-62.1	-89.2	0	0	0	111.3	F364 D365 V382 Y383 E384 E399 F436	F364-Y370 WeakPolarHBondContact CA-O 3.31Å; F364-Y370 WeakPolarHBondContact CD1-O 3.46Å; D365-Y370 PolarHBondContact N-O 3.2Å; D365-Y370 PolarHBondContact OD1-N 3.31Å; Y370-V382 HydrophobicContact CD1-CG1 4.14Å; Y370-V382 HydrophobicContact CG-CG1 4.45Å; Y370-Y383 CarbonylContact C-O 3.59Å; Y370-Y383 VanDerWaalsContact CA-O 3.24Å; Y370-Y383 WeakPolarHBondContact CA-O 3.46Å; Y370-E384 HydrophobicContact CD1-CB 3.97Å; Y370-E384 HydrophobicContact CD1-CG 4.48Å; Y370-E384 HydrophobicContact CE1-CB 3.72Å; Y370-E384 HydrophobicContact CE1-CG 4.04Å; Y370-E399 HydrophobicContact CE1-CG 4.18Å; Y370-F436 AromaticContact CD1-CE1 3.94Å; Y370-F436 HydrophobicContact CD1-CE1 3.94Å; Y370-F436 AromaticContact CD2-CE1 3.73Å; Y370-F436 HydrophobicContact CD2-CE1 3.73Å; Y370-F436 AromaticContact CD2-CZ 3.72Å; Y370-F436 HydrophobicContact CD2-CZ 3.72Å; Y370-F436 AromaticContact CE1-CE1 3.98Å; Y370-F436 HydrophobicContact CE1-CE1 3.98Å; Y370-F436 AromaticContact CE2-CE1 3.76Å; Y370-F436 HydrophobicContact CE2-CE1 3.76Å; Y370-F436 AromaticContact CE2-CZ 3.93Å; Y370-F436 HydrophobicContact CE2-CZ 3.93Å; Y370-F436 AromaticContact CG-CE1 3.83Å; Y370-F436 HydrophobicContact CG-CE1 3.83Å; Y370-F436 HydrophobicContact CG-CZ 4.14Å; Y370-F436 AromaticContact CZ-CE1 3.9Å
371	F	97.7	Very high	96.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.1	168.1	63.3	-77.9	0	0	0	110.6	L346 I362 F364 I373 Y383 V388 I652	L346-F371 HydrophobicContact CD2-CZ 4.17Å; I362-F371 HydrophobicContact CG2-CD2 4.45Å; F364-F371 HydrophobicContact CD1-CB 3.83Å; F364-F371 HydrophobicContact CD2-CB 4.45Å; F364-F371 HydrophobicContact CE1-CB 3.87Å; F364-F371 HydrophobicContact CE1-CD1 4.22Å; F364-F371 HydrophobicContact CE1-CG 4.37Å; F364-F371 HydrophobicContact CE2-CB 4.47Å; F364-F371 HydrophobicContact CG-CB 4.14Å; F364-F371 HydrophobicContact CZ-CB 4.2Å; F371-I373 HydrophobicContact CD2-CD1 4.19Å; F371-I373 HydrophobicContact CD2-CG1 3.97Å; F371-I373 HydrophobicContact CE2-CD1 3.8Å; F371-I373 HydrophobicContact CE2-CG1 4.1Å; F371-Y383 HydrophobicContact CE2-CD2 4.2Å; F371-Y383 HydrophobicContact CE2-CG 4.38Å; F371-Y383 HydrophobicContact CZ-CD2 4.42Å; F371-Y383 HydrophobicContact CZ-CG 4.14Å; F371-Y383 PolarHBondContact N-O 3.29Å; F371-Y383 PolarHBondContact O-N 2.96Å; F371-V388 HydrophobicContact CE1-CB 4.34Å; F371-V388 HydrophobicContact CE1-CG1 4.42Å; F371-V388 HydrophobicContact CE1-CG2 4.17Å; F371-V388 HydrophobicContact CZ-CB 4.44Å; F371-V388 HydrophobicContact CZ-CG1 4.16Å; F371-V388 HydrophobicContact CZ-CG2 4.11Å; F371-I652 HydrophobicContact CB-CD1 4.24Å; F371-I652 HydrophobicContact CD1-CD1 3.88Å; F371-I652 HydrophobicContact CD2-CD1 3.49Å; F371-I652 VanDerWaalsContact CD2-CD1 3.49Å; F371-I652 HydrophobicContact CE1-CD1 4.06Å; F371-I652 HydrophobicContact CE2-CD1 3.64Å; F371-I652 HydrophobicContact CG-CD1 3.61Å; F371-I652 HydrophobicContact CZ-CD1 3.94Å
372	A	98.3	Very high	96.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	145.1	175.8	0	0	0	0	0	110	I362 E363 I380 K381 V382 I411 W413 L421	I362-A372 WeakPolarHBondContact CA-O 3.31Å; E363-A372 PolarHBondContact N-O 3.01Å; E363-A372 PolarHBondContact O-N 2.84Å; A372-I380 HydrophobicContact CB-CG2 4.24Å; A372-K381 CarbonylContact C-O 3.51Å; A372-K381 WeakPolarHBondContact CA-O 3.31Å; A372-V382 HydrophobicContact CB-CG2 4.27Å; A372-I411 HydrophobicContact CB-CD1 3.56Å; A372-I411 WeakPolarHBondContact O-CD1 3.45Å; A372-W413 HydrophobicContact CB-CZ2 3.85Å; A372-L421 HydrophobicContact CB-CD1 4.48Å; A372-L421 HydrophobicContact CB-CD2 4.12Å
373	I	98.1	Very high	96.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.6	177.5	-49.6	179.8	0	0	0	109	Y348 V359 I362 F371 I380 K381 Y383 I660	Y348-I373 HydrophobicContact CD2-CB 4.31Å; Y348-I373 HydrophobicContact CD2-CG2 3.59Å; Y348-I373 HydrophobicContact CE2-CB 4.28Å; Y348-I373 HydrophobicContact CE2-CG2 3.75Å; Y348-I373 HydrophobicContact CG-CG2 4.43Å; V359-I373 HydrophobicContact CB-CG2 4.37Å; V359-I373 HydrophobicContact CG1-CG2 3.52Å; V359-I373 HydrophobicContact CG2-CG2 3.88Å; I362-I373 HydrophobicContact CG1-CG2 4.44Å; F371-I373 HydrophobicContact CD2-CD1 4.19Å; F371-I373 HydrophobicContact CD2-CG1 3.97Å; F371-I373 HydrophobicContact CE2-CD1 3.8Å; F371-I373 HydrophobicContact CE2-CG1 4.1Å; I373-I380 WeakPolarHBondContact O-CA 3.41Å; I373-K381 PolarHBondContact N-O 2.95Å; I373-K381 PolarHBondContact O-N 2.89Å; I373-Y383 HydrophobicContact CD1-CD2 3.91Å; I373-Y383 HydrophobicContact CD1-CE2 3.78Å; I373-Y383 HydrophobicContact CG1-CD2 4.28Å; I373-Y383 HydrophobicContact CG1-CE2 4.4Å; I373-I660 HydrophobicContact CD1-CD1 3.48Å; I373-I660 VanDerWaalsContact CD1-CD1 3.48Å; I373-I660 HydrophobicContact CD1-CG1 4.09Å; I373-I660 HydrophobicContact CD1-CG2 4.31Å; I373-I660 HydrophobicContact CG2-CD1 4.46Å
374	A	97.8	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160.5	177.5	0	0	0	0	0	112.4	V359 S360 S361 I380 I408 I411	V359-A374 WeakPolarHBondContact CG1-O 3.49Å; S360-A374 PolarHBondContact N-O 3.38Å; S360-A374 PolarHBondContact OG-O 3.07Å; S361-A374 PolarHBondContact N-O 3.14Å; S361-A374 PolarHBondContact O-N 3.36Å; A374-I380 HydrophobicContact CB-CG1 4.29Å; A374-I408 HydrophobicContact CB-CB 4.06Å; A374-I408 HydrophobicContact CB-CD1 4.19Å; A374-I408 HydrophobicContact CB-CG2 3.62Å; A374-I411 HydrophobicContact CB-CD1 4.09Å; A374-I411 HydrophobicContact CB-CG1 4.18Å; A374-I411 HydrophobicContact CB-CG2 3.66Å
375	G	95.8	Very high	96	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178	-164.2	-169.3	0	0	0	0	0	115.3	Y348 I358 S360 T377 K378 I408	Y348-G375 WeakPolarHBondContact OH-CA 3.37Å; Y348-G375 PolarHBondContact OH-N 3.3Å; I358-G375 WeakPolarHBondContact O-CA 3.36Å; S360-G375 WeakPolarHBondContact OG-CA 3.23Å; S360-G375 PolarHBondContact OG-N 2.91Å; G375-T377 PolarHBondContact O-N 3.49Å; G375-K378 PolarHBondContact O-N 3.02Å; G375-I408 PolarHBondContact O-N 3.33Å
376	V	94.9	Very high	95.8	Very high	24 Å²	24	28.8 Å²	28.8	15%	0.145	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.8	-172.5	-58.5	0	0	0	0	114.6	S356 I358 K378 K407	S356-V376 WeakPolarHBondContact O-CG2 3.43Å; I358-V376 HydrophobicContact CB-CG1 4.07Å; I358-V376 HydrophobicContact CB-CG2 4.05Å; I358-V376 PolarHBondContact O-N 3.3Å; V376-K378 PolarHBondContact O-N 2.94Å; V376-K407 HydrophobicContact CB-CD 4.1Å; V376-K407 HydrophobicContact CB-CG 4.44Å; V376-K407 HydrophobicContact CG1-CD 4.27Å
377	T	93.4	Very high	95.8	Very high	16 Å²	16	26.6 Å²	26.6	10%	0.098	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-1.5	177.2	62.7	0	0	0	0	113.3	Y348 G375 K379	Y348-T377 HydrophobicContact CD1-CG2 4.02Å; Y348-T377 HydrophobicContact CE1-CG2 3.68Å; Y348-T377 WeakPolarHBondContact CE1-OG1 3.29Å; Y348-T377 PolarHBondContact OH-OG1 2.89Å; G375-T377 PolarHBondContact O-N 3.49Å; T377-K379 PolarHBondContact O-N 2.95Å
378	K	95.3	Very high	95.8	Very high	91 Å²	91	24.3 Å²	24.3	40%	0.396	12%	0.122	S	C	.	.	S	Bend	trans	66.2	14	-177.7	-40.4	-177.3	173.7	-170.4	0	115	G375 V376 C404 N405 S406	G375-K378 PolarHBondContact O-N 3.02Å; V376-K378 PolarHBondContact O-N 2.94Å; K378-C404 WeakPolarHBondContact CB-O 3.28Å; K378-C404 PolarHBondContact O-N 3.4Å; K378-N405 WeakPolarHBondContact CD-O 3.46Å; K378-N405 WeakPolarHBondContact CE-O 3.16Å; K378-N405 PolarHBondContact NZ-O 3.01Å; K378-S406 WeakPolarHBondContact CB-O 3.39Å; K378-S406 WeakPolarHBondContact CG-O 3.4Å
379	K	95.3	Very high	95.6	Very high	42 Å²	42	26.8 Å²	26.8	18%	0.183	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.8	178.8	-66.8	174.5	165.2	-155.3	0	110.9	Y348 S350 T377 E401 M402 I408	Y348-K379 PolarHBondContact OH-O 3Å; S350-K379 PolarHBondContact OG-NZ 2.93Å; T377-K379 PolarHBondContact O-N 2.95Å; K379-E401 HydrophobicContact CB-CG 4.36Å; K379-E401 HydrophobicContact CD-CG 4.33Å; K379-E401 WeakPolarHBondContact CD-OE1 3.33Å; K379-E401 WeakPolarHBondContact CE-OE1 3.34Å; K379-E401 HydrophobicContact CG-CG 4.44Å; K379-E401 IonicContact NZ-OE1 2.69Å; K379-E401 PolarHBondContact NZ-OE1 3.22Å; K379-E401 IonicContact NZ-OE2 2.65Å; K379-E401 PolarHBondContact NZ-OE2 3.02Å; K379-M402 CarbonylContact C-O 3.54Å; K379-M402 WeakPolarHBondContact CA-O 3.39Å; K379-I408 WeakPolarHBondContact O-CD1 3.21Å
380	I	97.8	Very high	95.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121	163.1	-53	171.6	0	0	0	106.3	A372 I373 A374 E401 M402 I408 I411 L421	A372-I380 HydrophobicContact CB-CG2 4.24Å; I373-I380 WeakPolarHBondContact O-CA 3.41Å; A374-I380 HydrophobicContact CB-CG1 4.29Å; I380-E401 WeakPolarHBondContact O-CA 3.46Å; I380-M402 HydrophobicContact CB-CB 4.26Å; I380-M402 HydrophobicContact CB-CE 4.16Å; I380-M402 HydrophobicContact CG2-CE 3.91Å; I380-M402 PolarHBondContact N-O 3.17Å; I380-M402 PolarHBondContact O-N 2.92Å; I380-I408 HydrophobicContact CD1-CD1 4.45Å; I380-I408 HydrophobicContact CG1-CD1 3.59Å; I380-I411 HydrophobicContact CD1-CG2 4.21Å; I380-I411 HydrophobicContact CG1-CG2 4.46Å; I380-L421 HydrophobicContact CG2-CD2 3.88Å
381	K	97.1	Very high	94.2	Very high	9 Å²	9	32.9 Å²	32.9	4%	0.039	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.3	177.9	-68.3	-178.8	171.7	178.7	0	109.2	Y348 A372 I373 Y383 P398 E401	Y348-K381 HydrophobicContact CD2-CD 4.3Å; Y348-K381 HydrophobicContact CE2-CD 4.37Å; Y348-K381 PolarHBondContact O-NZ 3.13Å; A372-K381 CarbonylContact C-O 3.51Å; A372-K381 WeakPolarHBondContact CA-O 3.31Å; I373-K381 PolarHBondContact N-O 2.95Å; I373-K381 PolarHBondContact O-N 2.89Å; K381-Y383 HydrophobicContact CB-CD2 4.25Å; K381-Y383 HydrophobicContact CB-CE2 3.56Å; K381-Y383 HydrophobicContact CD-CE2 4.23Å; K381-P398 HydrophobicContact CB-CB 4.07Å; K381-P398 HydrophobicContact CG-CB 4.44Å; K381-P398 HydrophobicContact CG-CG 4.41Å; K381-E401 WeakPolarHBondContact CE-OE2 3.39Å; K381-E401 HydrophobicContact CG-CG 4.18Å
382	V	97.9	Very high	92.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.4	176	-177	0	0	0	0	108.4	Y370 A372 P398 E399 N400 M402 W413	Y370-V382 HydrophobicContact CD1-CG1 4.14Å; Y370-V382 HydrophobicContact CG-CG1 4.45Å; A372-V382 HydrophobicContact CB-CG2 4.27Å; V382-P398 CarbonylContact O-C 3.54Å; V382-P398 VanDerWaalsContact O-CA 3.31Å; V382-P398 WeakPolarHBondContact O-CA 3.48Å; V382-P398 VanDerWaalsContact O-CB 3.29Å; V382-P398 WeakPolarHBondContact O-CB 3.25Å; V382-E399 PolarHBondContact O-N 2.65Å; V382-N400 HydrophobicContact CB-CB 4.48Å; V382-N400 PolarHBondContact N-O 3.2Å; V382-M402 HydrophobicContact CG2-CE 3.71Å; V382-W413 HydrophobicContact CG1-CH2 4.37Å; V382-W413 HydrophobicContact CG1-CZ2 4.19Å; V382-W413 HydrophobicContact CG2-CH2 4.49Å; V382-W413 HydrophobicContact CG2-CZ2 4.3Å
383	Y	96.9	Very high	91.1	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.3	-179.7	-69.6	-87.6	0	0	0	110.1	L346 Y370 F371 I373 K381 V388 H396 P398	L346-Y383 HydrophobicContact CD2-CD1 3.98Å; L346-Y383 HydrophobicContact CD2-CE1 3.95Å; L346-Y383 HydrophobicContact CD2-CG 4.29Å; Y370-Y383 CarbonylContact C-O 3.59Å; Y370-Y383 VanDerWaalsContact CA-O 3.24Å; Y370-Y383 WeakPolarHBondContact CA-O 3.46Å; F371-Y383 HydrophobicContact CE2-CD2 4.2Å; F371-Y383 HydrophobicContact CE2-CG 4.38Å; F371-Y383 HydrophobicContact CZ-CD2 4.42Å; F371-Y383 HydrophobicContact CZ-CG 4.14Å; F371-Y383 PolarHBondContact N-O 3.29Å; F371-Y383 PolarHBondContact O-N 2.96Å; I373-Y383 HydrophobicContact CD1-CD2 3.91Å; I373-Y383 HydrophobicContact CD1-CE2 3.78Å; I373-Y383 HydrophobicContact CG1-CD2 4.28Å; I373-Y383 HydrophobicContact CG1-CE2 4.4Å; K381-Y383 HydrophobicContact CB-CD2 4.25Å; K381-Y383 HydrophobicContact CB-CE2 3.56Å; K381-Y383 HydrophobicContact CD-CE2 4.23Å; Y383-V388 HydrophobicContact CD1-CG2 4.15Å; Y383-V388 HydrophobicContact CG-CG2 4.48Å; Y383-H396 HydrophobicContact CE1-CB 4.17Å; Y383-P398 HydrophobicContact CD1-CB 4.26Å; Y383-P398 HydrophobicContact CE1-CB 3.93Å; Y383-P398 HydrophobicContact CE2-CB 4.27Å
384	E	96.2	Very high	89.6	Confident	71 Å²	71	49.8 Å²	49.8	33%	0.332	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.3	167.2	-173.2	178.2	-143.4	0	0	109.8	Y370 T387 V388	Y370-E384 HydrophobicContact CD1-CB 3.97Å; Y370-E384 HydrophobicContact CD1-CG 4.48Å; Y370-E384 HydrophobicContact CE1-CB 3.72Å; Y370-E384 HydrophobicContact CE1-CG 4.04Å; E384-T387 WeakPolarHBondContact OE2-CB 3.42Å; E384-T387 PolarHBondContact OE2-OG1 3.28Å; E384-V388 VanDerWaalsContact O-CG2 3.27Å; E384-V388 WeakPolarHBondContact O-CG2 3.47Å; E384-V388 PolarHBondContact O-N 3.07Å
385	Y	94.8	Very high	88.5	Confident	8 Å²	8	54.9 Å²	54.9	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-47.4	-173.7	174.4	-94.2	0	0	0	112.5	F364 D369 V388 I389 R641 V650 V662	F364-Y385 AromaticContact CE1-CD2 3.77Å; F364-Y385 HydrophobicContact CE1-CD2 3.77Å; F364-Y385 HydrophobicContact CE1-CE2 4.5Å; F364-Y385 HydrophobicContact CE1-CG 4.26Å; F364-Y385 AromaticContact CZ-CD2 3.95Å; F364-Y385 HydrophobicContact CZ-CD2 3.95Å; F364-Y385 HydrophobicContact CZ-CE2 4.32Å; D369-Y385 WeakPolarHBondContact O-CB 3.2Å; D369-Y385 PolarHBondContact O-N 3.49Å; Y385-V388 PolarHBondContact O-N 2.99Å; Y385-I389 HydrophobicContact CD1-CD1 4.37Å; Y385-I389 HydrophobicContact CE1-CD1 3.63Å; Y385-I389 HydrophobicContact CE1-CG1 4.3Å; Y385-I389 HydrophobicContact CE1-CG2 4.42Å; Y385-I389 HydrophobicContact CE2-CG2 4.13Å; Y385-I389 PolarHBondContact O-N 3.39Å; Y385-R641 VanDerWaalsContact CD1-CZ 3.49Å; Y385-R641 VanDerWaalsContact CE1-CZ 3.49Å; Y385-V650 HydrophobicContact CE2-CG1 4.29Å; Y385-V662 HydrophobicContact CE2-CG1 3.93Å
386	D	92.9	Very high	88	Confident	72 Å²	72	56.1 Å²	56.1	39%	0.385	31%	0.305	S	S	.	.	H	α-helix	trans	-67.6	-41.6	-174.7	-79.2	-17.4	0	0	0	111.9	V388 I389 Q390	D386-V388 VanDerWaalsContact C-N 3.34Å; D386-V388 PolarHBondContact O-N 3.02Å; D386-I389 WeakPolarHBondContact O-CG1 3.47Å; D386-I389 PolarHBondContact O-N 3.09Å; D386-Q390 WeakPolarHBondContact O-CB 3.4Å; D386-Q390 VanDerWaalsContact O-CG 3.25Å; D386-Q390 WeakPolarHBondContact O-CG 3.45Å; D386-Q390 PolarHBondContact O-N 3.23Å; D386-Q390 VanDerWaalsContact O-N 3.08Å
387	T	92.8	Very high	87.7	Confident	62 Å²	62	64 Å²	64	38%	0.38	33%	0.333	S	S	.	.	H	α-helix	trans	-58.4	-44.3	172.8	-67.7	0	0	0	0	111.3	E384 I389 Q390 D391	E384-T387 WeakPolarHBondContact OE2-CB 3.42Å; E384-T387 PolarHBondContact OE2-OG1 3.28Å; T387-I389 VanDerWaalsContact C-N 3.34Å; T387-I389 PolarHBondContact O-N 3.3Å; T387-Q390 PolarHBondContact O-N 2.95Å; T387-D391 WeakPolarHBondContact O-CB 3.42Å; T387-D391 PolarHBondContact O-N 3.33Å; T387-D391 VanDerWaalsContact O-N 3.16Å
388	V	93	Very high	87.7	Confident	4 Å²	4	65 Å²	65	2%	0.024	34%	0.34	C	S	.	.	H	α-helix	trans	-63.2	-32.7	178.7	164	0	0	0	0	113.8	A344 L346 F371 Y383 E384 Y385 D386 H396 V662	A344-V388 HydrophobicContact CB-CG1 3.71Å; A344-V388 VanDerWaalsContact CB-O 3.22Å; A344-V388 WeakPolarHBondContact CB-O 3.36Å; L346-V388 HydrophobicContact CD1-CG1 3.88Å; L346-V388 HydrophobicContact CD2-CG1 3.92Å; L346-V388 HydrophobicContact CD2-CG2 3.88Å; L346-V388 HydrophobicContact CG-CG1 4.18Å; F371-V388 HydrophobicContact CE1-CB 4.34Å; F371-V388 HydrophobicContact CE1-CG1 4.42Å; F371-V388 HydrophobicContact CE1-CG2 4.17Å; F371-V388 HydrophobicContact CZ-CB 4.44Å; F371-V388 HydrophobicContact CZ-CG1 4.16Å; F371-V388 HydrophobicContact CZ-CG2 4.11Å; Y383-V388 HydrophobicContact CD1-CG2 4.15Å; Y383-V388 HydrophobicContact CG-CG2 4.48Å; E384-V388 VanDerWaalsContact O-CG2 3.27Å; E384-V388 WeakPolarHBondContact O-CG2 3.47Å; E384-V388 PolarHBondContact O-N 3.07Å; Y385-V388 PolarHBondContact O-N 2.99Å; D386-V388 VanDerWaalsContact C-N 3.34Å; D386-V388 PolarHBondContact O-N 3.02Å; V388-H396 PolarHBondContact O-CE1 2.86Å; V388-H396 VanDerWaalsContact O-CE1 3.26Å; V388-V662 HydrophobicContact CG1-CG2 4.13Å
389	I	91.1	Very high	87.6	Confident	57 Å²	57	66.5 Å²	66.5	29%	0.292	35%	0.349	S	S	.	.	H	α-helix	trans	-91.9	-17.3	-178.9	62.9	163.1	0	0	0	114.5	L343 Y385 D386 T387 V662	L343-I389 HydrophobicContact CB-CG2 4.18Å; L343-I389 HydrophobicContact CD1-CG2 4.41Å; Y385-I389 HydrophobicContact CD1-CD1 4.37Å; Y385-I389 HydrophobicContact CE1-CD1 3.63Å; Y385-I389 HydrophobicContact CE1-CG1 4.3Å; Y385-I389 HydrophobicContact CE1-CG2 4.42Å; Y385-I389 HydrophobicContact CE2-CG2 4.13Å; Y385-I389 PolarHBondContact O-N 3.39Å; D386-I389 WeakPolarHBondContact O-CG1 3.47Å; D386-I389 PolarHBondContact O-N 3.09Å; T387-I389 VanDerWaalsContact C-N 3.34Å; T387-I389 PolarHBondContact O-N 3.3Å; I389-V662 HydrophobicContact CG2-CG1 4.14Å
390	Q	86.5	Confident	87.7	Confident	145 Å²	145	66.1 Å²	66.1	68%	0.678	35%	0.348	S	S	*	.	H	α-helix	trans	-86.6	-37.2	177.2	-70.8	175.5	41.5	0	0	111.8	D386 T387 A392	D386-Q390 WeakPolarHBondContact O-CB 3.4Å; D386-Q390 VanDerWaalsContact O-CG 3.25Å; D386-Q390 WeakPolarHBondContact O-CG 3.45Å; D386-Q390 PolarHBondContact O-N 3.23Å; D386-Q390 VanDerWaalsContact O-N 3.08Å; T387-Q390 PolarHBondContact O-N 2.95Å; Q390-A392 PolarHBondContact O-N 3.28Å
391	D	74.4	Confident	87.6	Confident	84 Å²	84	69.5 Å²	69.5	45%	0.449	36%	0.364	S	S	.	.			trans	-76.4	112.6	-176.1	-89.1	-9.1	0	0	0	112.4	T387 V393	T387-D391 WeakPolarHBondContact O-CB 3.42Å; T387-D391 PolarHBondContact O-N 3.33Å; T387-D391 VanDerWaalsContact O-N 3.16Å; D391-V393 HydrophobicContact CB-CG2 3.81Å; D391-V393 PolarHBondContact O-N 2.93Å
392	A	63.3	Low	87.5	Confident	110 Å²	110	69.4 Å²	69.4	91%	0.909	36%	0.364	S	S	*	.			trans	-82.8	28.4	173.9	0	0	0	0	0	113.4	Q390	Q390-A392 PolarHBondContact O-N 3.28Å
393	V	69	Low	87.4	Confident	80 Å²	80	73.2 Å²	73.2	49%	0.485	39%	0.388	S	S	.	.			trans	-98	142.4	177.9	-79.5	0	0	0	0	111.7	D391 I395	D391-V393 HydrophobicContact CB-CG2 3.81Å; D391-V393 PolarHBondContact O-N 2.93Å; V393-I395 PolarHBondContact O-N 3.37Å; V393-I395 VanDerWaalsContact O-N 3.09Å
394	D	65.4	Low	87.3	Confident	165 Å²	165	73.1 Å²	73.1	88%	0.882	39%	0.388	S	S	*	.	S	Bend	trans	-67.5	-7.2	179.5	-62.4	-50.6	0	0	0	114.3
395	I	74.4	Confident	87.3	Confident	108 Å²	108	74.7 Å²	74.7	55%	0.554	40%	0.398	S	S	*	.			trans	-127.9	109	-173.9	-54.2	176.2	0	0	0	109.4	V393 Y397	V393-I395 PolarHBondContact O-N 3.37Å; V393-I395 VanDerWaalsContact O-N 3.09Å; I395-Y397 HydrophobicContact CG2-CD2 4.36Å; I395-Y397 HydrophobicContact CG2-CE1 4.42Å; I395-Y397 HydrophobicContact CG2-CE2 3.75Å
396	H	84.8	Confident	87.3	Confident	26 Å²	26	75.1 Å²	75.1	12%	0.12	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-102.5	122.9	172.3	-59.8	-81.3	0	0	0	110.5	L346 Y383 V388	L346-H396 HydrophobicContact CD2-CB 3.94Å; L346-H396 HydrophobicContact CG-CB 4.42Å; Y383-H396 HydrophobicContact CE1-CB 4.17Å; V388-H396 PolarHBondContact O-CE1 2.86Å; V388-H396 VanDerWaalsContact O-CE1 3.26Å
397	Y	88.9	Confident	87.5	Confident	189 Å²	189	76 Å²	76	74%	0.741	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-86	139.7	172.7	-66	-83.5	0	0	0	110.3	I395	I395-Y397 HydrophobicContact CG2-CD2 4.36Å; I395-Y397 HydrophobicContact CG2-CE1 4.42Å; I395-Y397 HydrophobicContact CG2-CE2 3.75Å
398	P	93.5	Very high	87.8	Confident	37 Å²	37	73.1 Å²	73.1	24%	0.24	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-74	147.5	172.5	32	-33.9	0	0	0	110.7	K381 V382 Y383 N400 E401	K381-P398 HydrophobicContact CB-CB 4.07Å; K381-P398 HydrophobicContact CG-CB 4.44Å; K381-P398 HydrophobicContact CG-CG 4.41Å; V382-P398 CarbonylContact O-C 3.54Å; V382-P398 VanDerWaalsContact O-CA 3.31Å; V382-P398 WeakPolarHBondContact O-CA 3.48Å; V382-P398 VanDerWaalsContact O-CB 3.29Å; V382-P398 WeakPolarHBondContact O-CB 3.25Å; Y383-P398 HydrophobicContact CD1-CB 4.26Å; Y383-P398 HydrophobicContact CE1-CB 3.93Å; Y383-P398 HydrophobicContact CE2-CB 4.27Å; P398-N400 VanDerWaalsContact C-N 3.31Å; P398-E401 HydrophobicContact CG-CB 4.45Å
399	E	94.1	Very high	88	Confident	123 Å²	123	73.5 Å²	73.5	58%	0.575	39%	0.388	S	S	*	.	S	Bend	trans	-64.1	-38.9	172	-178.8	62.4	-166.3	0	0	110.8	Y370 V382	Y370-E399 HydrophobicContact CE1-CG 4.18Å; V382-E399 PolarHBondContact O-N 2.65Å
400	N	96.2	Very high	88.4	Confident	33 Å²	33	71.6 Å²	71.6	18%	0.176	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146.3	174.1	-171.5	23.9	0	0	0	111.7	V382 P398 G435 F436 G438	V382-N400 HydrophobicContact CB-CB 4.48Å; V382-N400 PolarHBondContact N-O 3.2Å; P398-N400 VanDerWaalsContact C-N 3.31Å; N400-G435 PolarHBondContact ND2-O 3.28Å; N400-F436 PolarHBondContact ND2-O 2.87Å; N400-G438 PolarHBondContact ND2-N 3.06Å
401	E	95.9	Very high	89	Confident	72 Å²	72	64.7 Å²	64.7	34%	0.336	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	115.4	175.2	-173.5	176.3	101.8	0	0	110.8	K379 I380 K381 P398	K379-E401 HydrophobicContact CB-CG 4.36Å; K379-E401 HydrophobicContact CD-CG 4.33Å; K379-E401 WeakPolarHBondContact CD-OE1 3.33Å; K379-E401 WeakPolarHBondContact CE-OE1 3.34Å; K379-E401 HydrophobicContact CG-CG 4.44Å; K379-E401 IonicContact NZ-OE1 2.69Å; K379-E401 PolarHBondContact NZ-OE1 3.22Å; K379-E401 IonicContact NZ-OE2 2.65Å; K379-E401 PolarHBondContact NZ-OE2 3.02Å; I380-E401 WeakPolarHBondContact O-CA 3.46Å; K381-E401 WeakPolarHBondContact CE-OE2 3.39Å; K381-E401 HydrophobicContact CG-CG 4.18Å; P398-E401 HydrophobicContact CG-CB 4.45Å
402	M	96	Very high	90.1	Very high	6 Å²	6	61 Å²	61	3%	0.03	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.6	176.7	-65	165	-83.7	0	0	110.5	K379 I380 V382 L421 W433	K379-M402 CarbonylContact C-O 3.54Å; K379-M402 WeakPolarHBondContact CA-O 3.39Å; I380-M402 HydrophobicContact CB-CB 4.26Å; I380-M402 HydrophobicContact CB-CE 4.16Å; I380-M402 HydrophobicContact CG2-CE 3.91Å; I380-M402 PolarHBondContact N-O 3.17Å; I380-M402 PolarHBondContact O-N 2.92Å; V382-M402 HydrophobicContact CG2-CE 3.71Å; M402-L421 HydrophobicContact CE-CD2 3.95Å; M402-W433 HydrophobicContact CB-CE3 4.18Å; M402-W433 HydrophobicContact CB-CH2 4.28Å; M402-W433 HydrophobicContact CB-CZ3 3.97Å; M402-W433 HydrophobicContact CG-CE3 4.05Å; M402-W433 HydrophobicContact CG-CZ3 4.21Å; M402-W433 HydrophobicContact SD-CB 3.87Å; M402-W433 HydrophobicContact SD-CD2 3.85Å; M402-W433 HydrophobicContact SD-CE3 3.68Å; M402-W433 HydrophobicContact SD-CG 3.97Å; M402-W433 HydrophobicContact SD-CZ3 4.41Å
403	T	95.8	Very high	91.8	Very high	81 Å²	81	56.6 Å²	56.6	50%	0.497	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.9	-179.1	-62	0	0	0	0	112.2	R440	T403-R440 PolarHBondContact O-NH2 3.42Å
404	C	95.3	Very high	93.1	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.02	27%	0.265	C	S	.	.			trans	-104.4	159.4	175.4	-61.1	0	0	0	0	111.6	K378 S406 I408 W433	K378-C404 WeakPolarHBondContact CB-O 3.28Å; K378-C404 PolarHBondContact O-N 3.4Å; C404-S406 VanDerWaalsContact C-N 3.34Å; C404-I408 HydrophobicContact CB-CD1 4.21Å; C404-I408 HydrophobicContact CB-CG1 4.04Å; C404-W433 VanDerWaalsContact SG-CZ2 3.59Å
405	N	94.4	Very high	94.5	Very high	103 Å²	103	46.9 Å²	46.9	55%	0.551	24%	0.236	S	C	*	.	S	Bend	trans	-73.7	-28.4	177.7	-68.2	0.6	0	0	0	112.3	K378	K378-N405 WeakPolarHBondContact CD-O 3.46Å; K378-N405 WeakPolarHBondContact CE-O 3.16Å; K378-N405 PolarHBondContact NZ-O 3.01Å
406	S	96.5	Very high	95.5	Very high	18 Å²	18	45.7 Å²	45.7	13%	0.126	23%	0.225	C	C	.	.	S	Bend	trans	-130	176.4	-174.3	-157.2	0	0	0	0	112.9	K378 C404 Y426	K378-S406 WeakPolarHBondContact CB-O 3.39Å; K378-S406 WeakPolarHBondContact CG-O 3.4Å; C404-S406 VanDerWaalsContact C-N 3.34Å; S406-Y426 WeakPolarHBondContact OG-CB 3.44Å
407	K	97	Very high	96.1	Very high	90 Å²	90	49 Å²	49	39%	0.391	24%	0.241	S	C	.	.			trans	-67.5	135.4	178.2	-62.3	-176.1	176.3	-178	0	109.5	V376 D425 Y426	V376-K407 HydrophobicContact CB-CD 4.1Å; V376-K407 HydrophobicContact CB-CG 4.44Å; V376-K407 HydrophobicContact CG1-CD 4.27Å; K407-D425 CarbonylContact O-C 3.58Å; K407-D425 WeakPolarHBondContact O-CA 3.48Å; K407-D425 WeakPolarHBondContact O-CB 3.39Å; K407-Y426 HydrophobicContact CB-CD1 3.98Å; K407-Y426 HydrophobicContact CB-CD2 3.96Å; K407-Y426 HydrophobicContact CB-CE1 4.27Å; K407-Y426 HydrophobicContact CB-CE2 4.26Å; K407-Y426 HydrophobicContact CB-CG 3.83Å; K407-Y426 HydrophobicContact CD-CD2 4.19Å; K407-Y426 HydrophobicContact CD-CE2 4.11Å; K407-Y426 VanDerWaalsContact O-CD1 3.24Å; K407-Y426 WeakPolarHBondContact O-CD1 3.45Å; K407-Y426 PolarHBondContact O-N 3.2Å
408	I	98.3	Very high	96.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.4	-176.3	-55.2	149	0	0	0	108.4	S360 A374 G375 K379 I380 C404 I411 S424	S360-I408 WeakPolarHBondContact CB-O 3.33Å; S360-I408 PolarHBondContact OG-O 3.44Å; A374-I408 HydrophobicContact CB-CB 4.06Å; A374-I408 HydrophobicContact CB-CD1 4.19Å; A374-I408 HydrophobicContact CB-CG2 3.62Å; G375-I408 PolarHBondContact O-N 3.33Å; K379-I408 WeakPolarHBondContact O-CD1 3.21Å; I380-I408 HydrophobicContact CD1-CD1 4.45Å; I380-I408 HydrophobicContact CG1-CD1 3.59Å; C404-I408 HydrophobicContact CB-CD1 4.21Å; C404-I408 HydrophobicContact CB-CG1 4.04Å; I408-I411 HydrophobicContact CG2-CG2 4.14Å; I408-S424 WeakPolarHBondContact CG2-O 3.3Å
409	S	98	Very high	96.4	Very high	12 Å²	12	44 Å²	44	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-39.2	-178.6	52.6	0	0	0	0	112.5	S360 S424 C451 W452	S360-S409 WeakPolarHBondContact CB-O 3.4Å; S360-S409 PolarHBondContact OG-O 3.09Å; S409-S424 PolarHBondContact N-O 3.05Å; S409-S424 PolarHBondContact OG-O 3.12Å; S409-S424 PolarHBondContact OG-OG 2.89Å; S409-C451 VanDerWaalsContact CB-O 3.28Å; S409-C451 WeakPolarHBondContact CB-O 3.47Å; S409-C451 PolarHBondContact OG-O 3.08Å; S409-W452 WeakPolarHBondContact CB-O 3.44Å; S409-W452 PolarHBondContact OG-O 3.45Å
410	C	98.6	Very high	96.6	Very high	18 Å²	18	39.1 Å²	39.1	12%	0.122	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	151.9	-175.8	-173.8	0	0	0	0	110.6	S423 S424 W452 V454	C410-S423 WeakPolarHBondContact O-CA 3.46Å; C410-S424 WeakPolarHBondContact CB-OG 3.39Å; C410-S424 PolarHBondContact N-OG 3.02Å; C410-S424 PolarHBondContact O-N 3.28Å; C410-S424 PolarHBondContact O-OG 3.2Å; C410-W452 WeakPolarHBondContact CB-O 3.49Å; C410-V454 HydrophobicContact CB-CG1 4.49Å
411	I	98.6	Very high	96.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	156.4	168.8	50	166.5	0	0	0	109.5	S361 E363 A372 A374 I380 I408 L421 A422	S361-I411 VanDerWaalsContact OG-CG1 3.25Å; S361-I411 WeakPolarHBondContact OG-CG1 3.43Å; S361-I411 PolarHBondContact OG-N 3.5Å; S361-I411 VanDerWaalsContact OG-N 3.14Å; E363-I411 WeakPolarHBondContact CG-O 3.47Å; A372-I411 HydrophobicContact CB-CD1 3.56Å; A372-I411 WeakPolarHBondContact O-CD1 3.45Å; A374-I411 HydrophobicContact CB-CD1 4.09Å; A374-I411 HydrophobicContact CB-CG1 4.18Å; A374-I411 HydrophobicContact CB-CG2 3.66Å; I380-I411 HydrophobicContact CD1-CG2 4.21Å; I380-I411 HydrophobicContact CG1-CG2 4.46Å; I408-I411 HydrophobicContact CG2-CG2 4.14Å; I411-L421 HydrophobicContact CB-CD1 4.17Å; I411-A422 CarbonylContact C-O 3.54Å; I411-A422 WeakPolarHBondContact CA-O 3.29Å
412	S	98.5	Very high	96.8	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	126.7	177.1	-177.6	0	0	0	0	109.7	A422 V454 D455 F456	S412-A422 PolarHBondContact N-O 3.11Å; S412-A422 PolarHBondContact O-N 2.83Å; S412-V454 WeakPolarHBondContact CB-O 3.24Å; S412-D455 PolarHBondContact OG-OD1 2.91Å; S412-F456 WeakPolarHBondContact O-CD2 3.45Å; S412-F456 VanDerWaalsContact O-CE2 3.28Å; S412-F456 WeakPolarHBondContact O-CE2 3.26Å; S412-F456 PolarHBondContact OG-N 2.99Å
413	W	98.2	Very high	96.9	Very high	18 Å²	18	33.8 Å²	33.8	7%	0.068	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	149.9	174.2	-72.4	96.6	0	0	0	111.3	E363 F364 D365 A372 V382 K418 L421 F436 F456	E363-W413 PolarHBondContact O-NE1 3.26Å; E363-W413 VanDerWaalsContact O-NE1 3.12Å; F364-W413 WeakPolarHBondContact O-CB 3.3Å; D365-W413 HydrophobicContact CB-CD2 3.98Å; D365-W413 HydrophobicContact CB-CE3 4.18Å; D365-W413 HydrophobicContact CB-CG 4.35Å; D365-W413 HydrophobicContact CB-CZ2 4.43Å; D365-W413 HydrophobicContact CB-CZ3 4.5Å; A372-W413 HydrophobicContact CB-CZ2 3.85Å; V382-W413 HydrophobicContact CG1-CH2 4.37Å; V382-W413 HydrophobicContact CG1-CZ2 4.19Å; V382-W413 HydrophobicContact CG2-CH2 4.49Å; V382-W413 HydrophobicContact CG2-CZ2 4.3Å; W413-K418 WeakPolarHBondContact CZ3-O 3.49Å; W413-L421 HydrophobicContact CD2-CB 4.25Å; W413-L421 HydrophobicContact CD2-CD1 3.73Å; W413-L421 HydrophobicContact CD2-CG 4.48Å; W413-L421 HydrophobicContact CE3-CB 3.93Å; W413-L421 HydrophobicContact CE3-CD1 4.29Å; W413-L421 HydrophobicContact CG-CD1 3.81Å; W413-L421 HydrophobicContact CH2-CB 4.47Å; W413-L421 HydrophobicContact CZ2-CD1 4.46Å; W413-L421 HydrophobicContact CZ2-CD2 4.31Å; W413-L421 HydrophobicContact CZ3-CB 4.04Å; W413-F436 HydrophobicContact CH2-CZ 4.43Å; W413-F456 VanDerWaalsContact C-CD2 3.49Å
414	S	97.5	Very high	97.1	Very high	2 Å²	2	30 Å²	30	1%	0.014	15%	0.15	C	C	.	.			trans	-73	131.5	172.4	-177.5	0	0	0	0	111.3	Y416 H417 L420	S414-Y416 PolarHBondContact O-N 2.84Å; S414-Y416 PolarHBondContact OG-N 3.48Å; S414-H417 PolarHBondContact OG-N 2.83Å; S414-L420 PolarHBondContact N-O 2.94Å
415	S	94.7	Very high	97.2	Very high	39 Å²	39	29.9 Å²	29.9	27%	0.273	15%	0.15	S	C	.	.	S	Bend	trans	-71.7	-0.8	170	56.6	0	0	0	0	113.8	R366	R366-S415 WeakPolarHBondContact CD-O 3.44Å; R366-S415 WeakPolarHBondContact CG-O 3.16Å
416	Y	95.6	Very high	97.4	Very high	82 Å²	82	28.4 Å²	28.4	32%	0.322	14%	0.137	S	C	.	.	S	Bend	trans	-114.1	-50.2	-178.4	-68.3	-90.4	0	0	0	112.2	R366 S414 L458 M459 D460 P461	R366-Y416 PolarHBondContact NH1-O 2.76Å; S414-Y416 PolarHBondContact O-N 2.84Å; S414-Y416 PolarHBondContact OG-N 3.48Å; Y416-L458 WeakPolarHBondContact CE2-O 3.36Å; Y416-L458 PolarHBondContact OH-O 2.61Å; Y416-M459 WeakPolarHBondContact OH-CA 3.44Å; Y416-D460 PolarHBondContact OH-N 3.18Å; Y416-P461 HydrophobicContact CD1-CB 3.85Å; Y416-P461 HydrophobicContact CD1-CG 4.39Å; Y416-P461 VanDerWaalsContact CD2-CA 3.47Å; Y416-P461 HydrophobicContact CD2-CB 3.82Å; Y416-P461 HydrophobicContact CE1-CB 4.32Å; Y416-P461 HydrophobicContact CE1-CG 4.47Å; Y416-P461 HydrophobicContact CE2-CB 4.28Å; Y416-P461 HydrophobicContact CG-CB 3.58Å
417	H	95.5	Very high	97.4	Very high	95 Å²	95	32.4 Å²	32.4	44%	0.44	15%	0.154	S	C	.	.			trans	-108.1	108.8	-174.2	-61.4	-67.3	0	0	0	110.2	S414 N419 L420	S414-H417 PolarHBondContact OG-N 2.83Å; H417-N419 PolarHBondContact O-N 2.84Å; H417-N419 VanDerWaalsContact O-N 3.11Å; H417-L420 HydrophobicContact CB-CB 3.7Å; H417-L420 HydrophobicContact CB-CD2 4.42Å; H417-L420 PolarHBondContact O-N 2.78Å
418	K	94.1	Very high	97.4	Very high	56 Å²	56	28.2 Å²	28.2	24%	0.243	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-36.1	-174.6	-171.7	176	-166.9	146.7	0	114	D365 D367 D369 W413 F436	D365-K418 VanDerWaalsContact OD2-CE 3.28Å; D365-K418 WeakPolarHBondContact OD2-CE 3.2Å; D365-K418 WeakPolarHBondContact OD2-CG 3.41Å; D367-K418 WeakPolarHBondContact OD2-CD 3.34Å; D367-K418 WeakPolarHBondContact OD2-CE 3.48Å; D367-K418 IonicContact OD2-NZ 2.61Å; D367-K418 PolarHBondContact OD2-NZ 3.44Å; D369-K418 IonicContact OD2-NZ 2.65Å; D369-K418 PolarHBondContact OD2-NZ 2.78Å; W413-K418 WeakPolarHBondContact CZ3-O 3.49Å; K418-F436 HydrophobicContact CG-CE2 4.38Å
419	N	95.8	Very high	97.4	Very high	65 Å²	65	28.5 Å²	28.5	35%	0.348	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-14.2	-179.8	61.3	-32.1	0	0	0	114.3	H417 L421 D434 G435 F436	H417-N419 PolarHBondContact O-N 2.84Å; H417-N419 VanDerWaalsContact O-N 3.11Å; N419-L421 PolarHBondContact O-N 2.97Å; N419-D434 PolarHBondContact ND2-OD2 3.38Å; N419-D434 CarbonylContact O-C 3.47Å; N419-D434 WeakPolarHBondContact O-CA 3.48Å; N419-G435 PolarHBondContact O-N 3.03Å; N419-F436 HydrophobicContact CB-CD2 3.79Å; N419-F436 HydrophobicContact CB-CE2 4.08Å
420	L	98	Very high	97.4	Very high	21 Å²	21	28 Å²	28	11%	0.11	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	113.6	-171	-176.8	63.5	0	0	0	111.5	S414 H417 L432 F456 T478	S414-L420 PolarHBondContact N-O 2.94Å; H417-L420 HydrophobicContact CB-CB 3.7Å; H417-L420 HydrophobicContact CB-CD2 4.42Å; H417-L420 PolarHBondContact O-N 2.78Å; L420-L432 HydrophobicContact CD1-CB 4.27Å; L420-F456 HydrophobicContact CD1-CZ 4.45Å; L420-F456 HydrophobicContact CD2-CE1 3.85Å; L420-F456 HydrophobicContact CD2-CZ 3.73Å; L420-F456 HydrophobicContact CG-CE1 4.32Å; L420-F456 HydrophobicContact CG-CE2 4.38Å; L420-F456 HydrophobicContact CG-CZ 3.68Å; L420-T478 HydrophobicContact CD2-CG2 4.25Å
421	L	98.4	Very high	97.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.1	179.4	178.1	64.3	0	0	0	110.2	A372 I380 M402 I411 W413 N419 W433	A372-L421 HydrophobicContact CB-CD1 4.48Å; A372-L421 HydrophobicContact CB-CD2 4.12Å; I380-L421 HydrophobicContact CG2-CD2 3.88Å; M402-L421 HydrophobicContact CE-CD2 3.95Å; I411-L421 HydrophobicContact CB-CD1 4.17Å; W413-L421 HydrophobicContact CD2-CB 4.25Å; W413-L421 HydrophobicContact CD2-CD1 3.73Å; W413-L421 HydrophobicContact CD2-CG 4.48Å; W413-L421 HydrophobicContact CE3-CB 3.93Å; W413-L421 HydrophobicContact CE3-CD1 4.29Å; W413-L421 HydrophobicContact CG-CD1 3.81Å; W413-L421 HydrophobicContact CH2-CB 4.47Å; W413-L421 HydrophobicContact CZ2-CD1 4.46Å; W413-L421 HydrophobicContact CZ2-CD2 4.31Å; W413-L421 HydrophobicContact CZ3-CB 4.04Å; N419-L421 PolarHBondContact O-N 2.97Å; L421-W433 HydrophobicContact CB-CB 4.4Å; L421-W433 PolarHBondContact N-O 2.83Å; L421-W433 PolarHBondContact O-N 2.67Å
422	A	98.6	Very high	97.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	147.3	171.2	0	0	0	0	0	110.8	I411 S412 I431 L432 V454 F456 L464	I411-A422 CarbonylContact C-O 3.54Å; I411-A422 WeakPolarHBondContact CA-O 3.29Å; S412-A422 PolarHBondContact N-O 3.11Å; S412-A422 PolarHBondContact O-N 2.83Å; A422-I431 CarbonylContact C-O 3.56Å; A422-I431 WeakPolarHBondContact CA-O 3.41Å; A422-L432 HydrophobicContact CB-CD2 3.74Å; A422-V454 HydrophobicContact CB-CG1 4.19Å; A422-V454 HydrophobicContact CB-CG2 3.82Å; A422-F456 HydrophobicContact CB-CD2 4.25Å; A422-F456 HydrophobicContact CB-CE2 3.51Å; A422-F456 HydrophobicContact CB-CZ 3.91Å; A422-L464 HydrophobicContact CB-CD1 4.17Å
423	S	98.6	Very high	97.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.1	171.5	70.9	0	0	0	0	111.9	C410 V430 I431 W433	C410-S423 WeakPolarHBondContact O-CA 3.46Å; S423-V430 WeakPolarHBondContact O-CA 3.2Å; S423-I431 PolarHBondContact N-O 2.81Å; S423-I431 PolarHBondContact O-N 3.47Å; S423-W433 PolarHBondContact OG-NE1 2.78Å
424	S	98.5	Very high	97.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	143.8	169.4	56.7	0	0	0	0	112.1	I408 S409 C410 T429 C451	I408-S424 WeakPolarHBondContact CG2-O 3.3Å; S409-S424 PolarHBondContact N-O 3.05Å; S409-S424 PolarHBondContact OG-O 3.12Å; S409-S424 PolarHBondContact OG-OG 2.89Å; C410-S424 WeakPolarHBondContact CB-OG 3.39Å; C410-S424 PolarHBondContact N-OG 3.02Å; C410-S424 PolarHBondContact O-N 3.28Å; C410-S424 PolarHBondContact O-OG 3.2Å; S424-T429 WeakPolarHBondContact CA-O 3.3Å; S424-C451 WeakPolarHBondContact CB-SG 3.17Å
425	D	98	Very high	97.3	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.011	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	175.1	-177.9	75.8	24.3	0	0	0	115.6	K407 E427 G428 T429 C451	K407-D425 CarbonylContact O-C 3.58Å; K407-D425 WeakPolarHBondContact O-CA 3.48Å; K407-D425 WeakPolarHBondContact O-CB 3.39Å; D425-E427 VanDerWaalsContact C-N 3.25Å; D425-E427 PolarHBondContact O-N 3.15Å; D425-E427 WeakPolarHBondContact OD1-CA 3.35Å; D425-E427 WeakPolarHBondContact OD1-CB 3.29Å; D425-E427 PolarHBondContact OD1-N 2.82Å; D425-G428 PolarHBondContact O-N 2.83Å; D425-G428 VanDerWaalsContact O-N 3.16Å; D425-G428 PolarHBondContact OD1-N 2.94Å; D425-G428 VanDerWaalsContact OD1-N 3.15Å; D425-T429 PolarHBondContact N-O 2.81Å; D425-T429 VanDerWaalsContact N-O 3.12Å; D425-T429 PolarHBondContact OD1-N 3.25Å; D425-T429 WeakPolarHBondContact OD2-CB 3.47Å; D425-C451 PolarHBondContact O-N 2.75Å
426	Y	97.9	Very high	97.4	Very high	72 Å²	72	29.5 Å²	29.5	28%	0.282	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9	-178	-83.9	36.5	0	0	0	114.6	S406 K407 R450	S406-Y426 WeakPolarHBondContact OG-CB 3.44Å; K407-Y426 HydrophobicContact CB-CD1 3.98Å; K407-Y426 HydrophobicContact CB-CD2 3.96Å; K407-Y426 HydrophobicContact CB-CE1 4.27Å; K407-Y426 HydrophobicContact CB-CE2 4.26Å; K407-Y426 HydrophobicContact CB-CG 3.83Å; K407-Y426 HydrophobicContact CD-CD2 4.19Å; K407-Y426 HydrophobicContact CD-CE2 4.11Å; K407-Y426 VanDerWaalsContact O-CD1 3.24Å; K407-Y426 WeakPolarHBondContact O-CD1 3.45Å; K407-Y426 PolarHBondContact O-N 3.2Å; Y426-R450 HydrophobicContact CD1-CG 3.92Å; Y426-R450 HydrophobicContact CE1-CG 4.35Å; Y426-R450 VanDerWaalsContact CE2-CZ 3.49Å; Y426-R450 VanDerWaalsContact CE2-NE 3.33Å; Y426-R450 HydrophobicContact CG-CG 4.16Å
427	E	97.6	Very high	97.4	Very high	102 Å²	102	29.4 Å²	29.4	48%	0.477	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-12.9	169.9	-74.2	168.2	175.2	0	0	111.7	D425	D425-E427 VanDerWaalsContact C-N 3.25Å; D425-E427 PolarHBondContact O-N 3.15Å; D425-E427 WeakPolarHBondContact OD1-CA 3.35Å; D425-E427 WeakPolarHBondContact OD1-CB 3.29Å; D425-E427 PolarHBondContact OD1-N 2.82Å
428	G	97	Very high	97.4	Very high	2 Å²	2	26 Å²	26	2%	0.021	13%	0.134	C	C	.	.	S	Bend	trans	95.7	2	-173.9	0	0	0	0	0	113.1	D425 H447 K449	D425-G428 PolarHBondContact O-N 2.83Å; D425-G428 VanDerWaalsContact O-N 3.16Å; D425-G428 PolarHBondContact OD1-N 2.94Å; D425-G428 VanDerWaalsContact OD1-N 3.15Å; G428-H447 WeakPolarHBondContact O-CB 3.45Å; G428-K449 VanDerWaalsContact CA-O 3.24Å; G428-K449 WeakPolarHBondContact CA-O 3.43Å
429	T	98.1	Very high	97.5	Very high	7 Å²	7	30 Å²	30	4%	0.043	15%	0.153	C	C	.	.			trans	-74.4	137.5	-179.7	-45.8	0	0	0	0	110.1	S424 D425 I431 V443 Y444 Q445	S424-T429 WeakPolarHBondContact CA-O 3.3Å; D425-T429 PolarHBondContact N-O 2.81Å; D425-T429 VanDerWaalsContact N-O 3.12Å; D425-T429 PolarHBondContact OD1-N 3.25Å; D425-T429 WeakPolarHBondContact OD2-CB 3.47Å; T429-I431 HydrophobicContact CG2-CD1 4.12Å; T429-I431 HydrophobicContact CG2-CG1 3.53Å; T429-V443 HydrophobicContact CG2-CG1 3.66Å; T429-Y444 WeakPolarHBondContact CA-O 3.22Å; T429-Q445 HydrophobicContact CG2-CG 3.83Å
430	V	98.6	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.1	163.7	-177.4	0	0	0	0	108	S423 Y444 V454 L464	S423-V430 WeakPolarHBondContact O-CA 3.2Å; V430-Y444 HydrophobicContact CB-CD2 4.21Å; V430-Y444 HydrophobicContact CG1-CD2 4.23Å; V430-Y444 PolarHBondContact N-O 2.85Å; V430-Y444 WeakPolarHBondContact O-CB 3.4Å; V430-Y444 WeakPolarHBondContact O-CD2 3.27Å; V430-Y444 PolarHBondContact O-N 2.94Å; V430-V454 HydrophobicContact CG1-CB 4.48Å; V430-V454 HydrophobicContact CG1-CG2 3.78Å; V430-L464 HydrophobicContact CG1-CD1 4.13Å
431	I	98.5	Very high	97.4	Very high	7 Å²	7	35 Å²	35	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.1	-176.4	-52.7	175.1	0	0	0	108.9	A422 S423 T429 W433 R440 V443	A422-I431 CarbonylContact C-O 3.56Å; A422-I431 WeakPolarHBondContact CA-O 3.41Å; S423-I431 PolarHBondContact N-O 2.81Å; S423-I431 PolarHBondContact O-N 3.47Å; T429-I431 HydrophobicContact CG2-CD1 4.12Å; T429-I431 HydrophobicContact CG2-CG1 3.53Å; I431-W433 HydrophobicContact CB-CZ2 4.26Å; I431-W433 HydrophobicContact CD1-CZ2 3.86Å; I431-W433 HydrophobicContact CG2-CD2 3.93Å; I431-W433 VanDerWaalsContact CG2-CE2 3.43Å; I431-W433 HydrophobicContact CG2-CG 4.23Å; I431-W433 HydrophobicContact CG2-CZ2 3.79Å; I431-R440 HydrophobicContact CG2-CB 4.25Å; I431-R440 HydrophobicContact CG2-CG 3.9Å; I431-V443 HydrophobicContact CG2-CG2 4.36Å
432	L	98.5	Very high	97.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.5	166.9	-61.5	-171.7	0	0	0	109.5	L420 A422 R440 S441 K442 Y444 F456 L464 T478	L420-L432 HydrophobicContact CD1-CB 4.27Å; A422-L432 HydrophobicContact CB-CD2 3.74Å; L432-R440 CarbonylContact O-C 3.24Å; L432-R440 WeakPolarHBondContact O-CA 3.39Å; L432-S441 VanDerWaalsContact CB-OG 3.31Å; L432-S441 WeakPolarHBondContact CB-OG 3.27Å; L432-S441 PolarHBondContact O-N 2.85Å; L432-S441 PolarHBondContact O-OG 3.2Å; L432-K442 HydrophobicContact CB-CB 4.09Å; L432-K442 HydrophobicContact CD1-CB 3.96Å; L432-K442 HydrophobicContact CD1-CG 4.06Å; L432-K442 HydrophobicContact CG-CB 4.05Å; L432-K442 PolarHBondContact N-O 3.4Å; L432-Y444 HydrophobicContact CD1-CE2 3.96Å; L432-Y444 HydrophobicContact CG-CE2 3.94Å; L432-F456 HydrophobicContact CD2-CE1 4.47Å; L432-F456 HydrophobicContact CD2-CZ 3.87Å; L432-L464 HydrophobicContact CD1-CD2 4.49Å; L432-L464 HydrophobicContact CD2-CD1 3.77Å; L432-L464 HydrophobicContact CD2-CD2 4.4Å; L432-T478 HydrophobicContact CD1-CG2 3.88Å
433	W	98.4	Very high	97.4	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.019	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148	-178	-55.8	88.6	0	0	0	110.7	M402 C404 L421 S423 I431 Q439 R440	M402-W433 HydrophobicContact CB-CE3 4.18Å; M402-W433 HydrophobicContact CB-CH2 4.28Å; M402-W433 HydrophobicContact CB-CZ3 3.97Å; M402-W433 HydrophobicContact CG-CE3 4.05Å; M402-W433 HydrophobicContact CG-CZ3 4.21Å; M402-W433 HydrophobicContact SD-CB 3.87Å; M402-W433 HydrophobicContact SD-CD2 3.85Å; M402-W433 HydrophobicContact SD-CE3 3.68Å; M402-W433 HydrophobicContact SD-CG 3.97Å; M402-W433 HydrophobicContact SD-CZ3 4.41Å; C404-W433 VanDerWaalsContact SG-CZ2 3.59Å; L421-W433 HydrophobicContact CB-CB 4.4Å; L421-W433 PolarHBondContact N-O 2.83Å; L421-W433 PolarHBondContact O-N 2.67Å; S423-W433 PolarHBondContact OG-NE1 2.78Å; I431-W433 HydrophobicContact CB-CZ2 4.26Å; I431-W433 HydrophobicContact CD1-CZ2 3.86Å; I431-W433 HydrophobicContact CG2-CD2 3.93Å; I431-W433 VanDerWaalsContact CG2-CE2 3.43Å; I431-W433 HydrophobicContact CG2-CG 4.23Å; I431-W433 HydrophobicContact CG2-CZ2 3.79Å; W433-Q439 CarbonylContact C-O 3.57Å; W433-Q439 WeakPolarHBondContact CA-O 3.45Å; W433-R440 HydrophobicContact CD2-CG 4.22Å; W433-R440 HydrophobicContact CE3-CG 3.62Å; W433-R440 HydrophobicContact CH2-CG 3.9Å; W433-R440 HydrophobicContact CZ2-CG 4.4Å; W433-R440 HydrophobicContact CZ3-CG 3.46Å; W433-R440 VanDerWaalsContact CZ3-CG 3.46Å
434	D	97.9	Very high	97.3	Very high	34 Å²	34	40.7 Å²	40.7	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	112.1	148.5	-179.9	-64.7	0	0	0	107.9	N419 F436 T437 G438 Q439	N419-D434 PolarHBondContact ND2-OD2 3.38Å; N419-D434 CarbonylContact O-C 3.47Å; N419-D434 WeakPolarHBondContact O-CA 3.48Å; D434-F436 PolarHBondContact O-N 3.05Å; D434-F436 PolarHBondContact OD1-N 3.42Å; D434-F436 VanDerWaalsContact OD1-N 3.15Å; D434-T437 VanDerWaalsContact CB-OG1 3.25Å; D434-T437 WeakPolarHBondContact CB-OG1 3.38Å; D434-T437 WeakPolarHBondContact OD1-CB 3.46Å; D434-T437 WeakPolarHBondContact OD1-CG2 3.4Å; D434-T437 PolarHBondContact OD1-N 3.34Å; D434-T437 PolarHBondContact OD1-OG1 2.92Å; D434-G438 WeakPolarHBondContact O-CA 3.49Å; D434-G438 PolarHBondContact O-N 2.91Å; D434-Q439 PolarHBondContact N-O 2.93Å
435	G	95.8	Very high	97.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.3	-170.8	0	0	0	0	0	115.1	N400 N419	N400-G435 PolarHBondContact ND2-O 3.28Å; N419-G435 PolarHBondContact O-N 3.03Å
436	F	96.2	Very high	97.3	Very high	68 Å²	68	49.9 Å²	49.9	30%	0.298	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-35.5	-178.4	-58.3	-70.6	0	0	0	112.3	Y370 N400 W413 K418 N419 D434	Y370-F436 AromaticContact CD1-CE1 3.94Å; Y370-F436 HydrophobicContact CD1-CE1 3.94Å; Y370-F436 AromaticContact CD2-CE1 3.73Å; Y370-F436 HydrophobicContact CD2-CE1 3.73Å; Y370-F436 AromaticContact CD2-CZ 3.72Å; Y370-F436 HydrophobicContact CD2-CZ 3.72Å; Y370-F436 AromaticContact CE1-CE1 3.98Å; Y370-F436 HydrophobicContact CE1-CE1 3.98Å; Y370-F436 AromaticContact CE2-CE1 3.76Å; Y370-F436 HydrophobicContact CE2-CE1 3.76Å; Y370-F436 AromaticContact CE2-CZ 3.93Å; Y370-F436 HydrophobicContact CE2-CZ 3.93Å; Y370-F436 AromaticContact CG-CE1 3.83Å; Y370-F436 HydrophobicContact CG-CE1 3.83Å; Y370-F436 HydrophobicContact CG-CZ 4.14Å; Y370-F436 AromaticContact CZ-CE1 3.9Å; N400-F436 PolarHBondContact ND2-O 2.87Å; W413-F436 HydrophobicContact CH2-CZ 4.43Å; K418-F436 HydrophobicContact CG-CE2 4.38Å; N419-F436 HydrophobicContact CB-CD2 3.79Å; N419-F436 HydrophobicContact CB-CE2 4.08Å; D434-F436 PolarHBondContact O-N 3.05Å; D434-F436 PolarHBondContact OD1-N 3.42Å; D434-F436 VanDerWaalsContact OD1-N 3.15Å
437	T	96.4	Very high	97.3	Very high	81 Å²	81	47 Å²	47	50%	0.497	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-14.5	177.1	64.3	0	0	0	0	113.6	D434 Q439	D434-T437 VanDerWaalsContact CB-OG1 3.25Å; D434-T437 WeakPolarHBondContact CB-OG1 3.38Å; D434-T437 WeakPolarHBondContact OD1-CB 3.46Å; D434-T437 WeakPolarHBondContact OD1-CG2 3.4Å; D434-T437 PolarHBondContact OD1-N 3.34Å; D434-T437 PolarHBondContact OD1-OG1 2.92Å; T437-Q439 PolarHBondContact O-N 2.88Å; T437-Q439 PolarHBondContact OG1-N 2.94Å
438	G	94.9	Very high	97.3	Very high	23 Å²	23	48.6 Å²	48.6	24%	0.237	25%	0.247	C	C	.	.			trans	70.3	8.8	-175.8	0	0	0	0	0	114.9	N400 D434	N400-G438 PolarHBondContact ND2-N 3.06Å; D434-G438 WeakPolarHBondContact O-CA 3.49Å; D434-G438 PolarHBondContact O-N 2.91Å
439	Q	96.6	Very high	97.4	Very high	139 Å²	139	53.9 Å²	53.9	65%	0.65	27%	0.269	S	S	*	.			trans	-73.9	139.9	179.8	-65.6	-172.3	11.4	0	0	111.7	W433 D434 T437	W433-Q439 CarbonylContact C-O 3.57Å; W433-Q439 WeakPolarHBondContact CA-O 3.45Å; D434-Q439 PolarHBondContact N-O 2.93Å; T437-Q439 PolarHBondContact O-N 2.88Å; T437-Q439 PolarHBondContact OG1-N 2.94Å
440	R	96.9	Very high	97.4	Very high	120 Å²	120	57.6 Å²	57.6	45%	0.453	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114.3	174.8	-60.8	176.5	-174.4	168.1	0.2	109.2	T403 I431 L432 W433 V443	T403-R440 PolarHBondContact O-NH2 3.42Å; I431-R440 HydrophobicContact CG2-CB 4.25Å; I431-R440 HydrophobicContact CG2-CG 3.9Å; L432-R440 CarbonylContact O-C 3.24Å; L432-R440 WeakPolarHBondContact O-CA 3.39Å; W433-R440 HydrophobicContact CD2-CG 4.22Å; W433-R440 HydrophobicContact CE3-CG 3.62Å; W433-R440 HydrophobicContact CH2-CG 3.9Å; W433-R440 HydrophobicContact CZ2-CG 4.4Å; W433-R440 HydrophobicContact CZ3-CG 3.46Å; W433-R440 VanDerWaalsContact CZ3-CG 3.46Å; R440-V443 HydrophobicContact CB-CG2 4.33Å
441	S	95	Very high	97.4	Very high	72 Å²	72	57.6 Å²	57.6	50%	0.503	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-34	-179.8	60.3	0	0	0	0	112.9	L432	L432-S441 VanDerWaalsContact CB-OG 3.31Å; L432-S441 WeakPolarHBondContact CB-OG 3.27Å; L432-S441 PolarHBondContact O-N 2.85Å; L432-S441 PolarHBondContact O-OG 3.2Å
442	K	97.2	Very high	97.4	Very high	50 Å²	50	59.1 Å²	59.1	22%	0.217	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.9	172	-64.4	-65.9	177.7	-169.8	0	111	L432 Y444 T478 D481	L432-K442 HydrophobicContact CB-CB 4.09Å; L432-K442 HydrophobicContact CD1-CB 3.96Å; L432-K442 HydrophobicContact CD1-CG 4.06Å; L432-K442 HydrophobicContact CG-CB 4.05Å; L432-K442 PolarHBondContact N-O 3.4Å; K442-Y444 HydrophobicContact CB-CE1 4.27Å; K442-Y444 HydrophobicContact CB-CE2 3.93Å; K442-T478 WeakPolarHBondContact CE-O 3.46Å; K442-D481 WeakPolarHBondContact CD-OD1 3.18Å; K442-D481 WeakPolarHBondContact CE-OD1 3.18Å; K442-D481 IonicContact NZ-OD1 2.77Å; K442-D481 PolarHBondContact NZ-OD1 3.49Å; K442-D481 IonicContact NZ-OD2 3.9Å
443	V	98	Very high	97.4	Very high	68 Å²	68	59.7 Å²	59.7	41%	0.412	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	102.8	176.5	-178.8	0	0	0	0	107.4	T429 I431 R440 Q445	T429-V443 HydrophobicContact CG2-CG1 3.66Å; I431-V443 HydrophobicContact CG2-CG2 4.36Å; R440-V443 HydrophobicContact CB-CG2 4.33Å; V443-Q445 HydrophobicContact CG1-CG 4.14Å
444	Y	98.3	Very high	97.4	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.5	-177.4	-60.8	-61.5	0	0	0	110.5	T429 V430 L432 K442 W476 S477 L480 D481	T429-Y444 WeakPolarHBondContact CA-O 3.22Å; V430-Y444 HydrophobicContact CB-CD2 4.21Å; V430-Y444 HydrophobicContact CG1-CD2 4.23Å; V430-Y444 PolarHBondContact N-O 2.85Å; V430-Y444 WeakPolarHBondContact O-CB 3.4Å; V430-Y444 WeakPolarHBondContact O-CD2 3.27Å; V430-Y444 PolarHBondContact O-N 2.94Å; L432-Y444 HydrophobicContact CD1-CE2 3.96Å; L432-Y444 HydrophobicContact CG-CE2 3.94Å; K442-Y444 HydrophobicContact CB-CE1 4.27Å; K442-Y444 HydrophobicContact CB-CE2 3.93Å; Y444-W476 HydrophobicContact CD1-CD2 4.14Å; Y444-W476 AromaticContact CD1-CE3 3.39Å; Y444-W476 HydrophobicContact CD1-CE3 3.39Å; Y444-W476 AromaticContact CD1-CZ3 3.74Å; Y444-W476 HydrophobicContact CD1-CZ3 3.74Å; Y444-W476 HydrophobicContact CD2-CB 4.35Å; Y444-W476 HydrophobicContact CD2-CD2 4.06Å; Y444-W476 HydrophobicContact CD2-CE3 4.14Å; Y444-W476 HydrophobicContact CD2-CG 4.16Å; Y444-W476 HydrophobicContact CE1-CB 4.45Å; Y444-W476 AromaticContact CE1-CE3 3.94Å; Y444-W476 HydrophobicContact CE1-CE3 3.94Å; Y444-W476 HydrophobicContact CE2-CB 3.95Å; Y444-W476 HydrophobicContact CE2-CG 4.26Å; Y444-W476 AromaticContact CG-CD2 3.86Å; Y444-W476 HydrophobicContact CG-CD2 3.86Å; Y444-W476 AromaticContact CG-CE3 3.5Å; Y444-W476 HydrophobicContact CG-CE3 3.5Å; Y444-W476 HydrophobicContact CG-CG 4.42Å; Y444-W476 HydrophobicContact CG-CH2 4.39Å; Y444-W476 AromaticContact CG-CZ3 3.81Å; Y444-W476 HydrophobicContact CG-CZ3 3.81Å; Y444-S477 PolarHBondContact OH-O 2.88Å; Y444-L480 VanDerWaalsContact CE1-O 3.29Å; Y444-L480 WeakPolarHBondContact CE1-O 3.42Å; Y444-L480 PolarHBondContact OH-O 2.88Å; Y444-L480 VanDerWaalsContact OH-O 3.14Å; Y444-D481 WeakPolarHBondContact CD1-O 3.39Å
445	Q	97.6	Very high	97.4	Very high	140 Å²	140	58.2 Å²	58.2	65%	0.654	28%	0.284	S	S	*	.			trans	-127.9	67.8	-175.9	-70.9	-177	-22.5	0	0	111.2	T429 V443	T429-Q445 HydrophobicContact CG2-CG 3.83Å; V443-Q445 HydrophobicContact CG1-CG 4.14Å
446	E	98.2	Very high	97.6	Very high	54 Å²	54	58.3 Å²	58.3	25%	0.252	28%	0.284	S	S	.	.			trans	-124.7	-8.1	175.5	-48.1	179.1	-176.6	0	0	114.7	K474 W476 N482 S483	E446-K474 HydrophobicContact CB-CD 4Å; E446-K474 VanDerWaalsContact O-CE 3.29Å; E446-K474 WeakPolarHBondContact O-CE 3.36Å; E446-K474 IonicContact OE2-NZ 2.67Å; E446-K474 PolarHBondContact OE2-NZ 3.09Å; E446-W476 HydrophobicContact CB-CH2 3.84Å; E446-W476 HydrophobicContact CB-CZ3 4.4Å; E446-W476 HydrophobicContact CG-CH2 3.8Å; E446-W476 HydrophobicContact CG-CZ3 3.86Å; E446-N482 WeakPolarHBondContact OE1-CA 3.48Å; E446-N482 WeakPolarHBondContact OE1-CB 3.42Å; E446-S483 PolarHBondContact OE1-N 3.21Å; E446-S483 VanDerWaalsContact OE2-CB 3.3Å; E446-S483 WeakPolarHBondContact OE2-CB 3.2Å; E446-S483 PolarHBondContact OE2-OG 2.92Å
447	H	98.3	Very high	97.7	Very high	11 Å²	11	55.1 Å²	55.1	5%	0.051	27%	0.271	C	S	.	.			trans	-79.1	132.4	171.9	-79.5	-62.4	0	0	0	109.4	G428 K449 S466 S468 D470	G428-H447 WeakPolarHBondContact O-CB 3.45Å; H447-K449 VanDerWaalsContact C-N 3.26Å; H447-K449 PolarHBondContact O-N 2.91Å; H447-S466 PolarHBondContact NE2-OG 2.94Å; H447-S468 VanDerWaalsContact ND1-CB 3.27Å; H447-S468 WeakPolarHBondContact ND1-CB 3.47Å; H447-D470 VanDerWaalsContact CA-OD2 3.31Å; H447-D470 WeakPolarHBondContact CA-OD2 3.4Å; H447-D470 IonicContact CE1-OD1 2.65Å; H447-D470 IonicContact CE1-OD2 2.67Å; H447-D470 IonicContact CG-OD2 3.52Å; H447-D470 IonicContact ND1-OD1 2.76Å; H447-D470 PolarHBondContact ND1-OD1 2.8Å; H447-D470 IonicContact ND1-OD2 3.94Å; H447-D470 PolarHBondContact ND1-OD2 3.1Å
448	E	97.9	Very high	97.6	Very high	137 Å²	137	54 Å²	54	64%	0.64	26%	0.261	S	S	*	.	S	Bend	trans	-82.1	-8.7	-174.5	-64.4	159.5	-132.4	0	0	112.7	D470 K472	E448-D470 HydrophobicContact CB-CB 4.23Å; E448-D470 PolarHBondContact N-OD2 3.29Å; E448-K472 IonicContact OE1-NZ 2.78Å; E448-K472 PolarHBondContact OE1-NZ 3.09Å
449	K	98.4	Very high	97.6	Very high	113 Å²	113	57.5 Å²	57.5	49%	0.491	27%	0.272	S	S	.	.	S	Bend	trans	-148.8	171.7	-175.5	-61.2	177.5	-169.4	163.4	0	110	G428 H447 C451 S468 D469 D470	G428-K449 VanDerWaalsContact CA-O 3.24Å; G428-K449 WeakPolarHBondContact CA-O 3.43Å; H447-K449 VanDerWaalsContact C-N 3.26Å; H447-K449 PolarHBondContact O-N 2.91Å; K449-C451 PolarHBondContact O-N 3.13Å; K449-S468 PolarHBondContact O-OG 2.97Å; K449-D469 HydrophobicContact CB-CB 3.81Å; K449-D469 HydrophobicContact CD-CB 4.03Å; K449-D469 WeakPolarHBondContact CD-O 3.24Å; K449-D469 PolarHBondContact NZ-O 2.9Å; K449-D470 HydrophobicContact CB-CB 4.4Å; K449-D470 HydrophobicContact CD-CB 4.48Å; K449-D470 HydrophobicContact CG-CB 4.46Å
450	R	98.2	Very high	97.6	Very high	84 Å²	84	51.9 Å²	51.9	32%	0.317	25%	0.247	S	C	.	.			trans	-37.2	120.9	174	170.1	-177.3	-54.8	147.3	14.3	112.4	Y426 W452 S468 D469	Y426-R450 HydrophobicContact CD1-CG 3.92Å; Y426-R450 HydrophobicContact CE1-CG 4.35Å; Y426-R450 VanDerWaalsContact CE2-CZ 3.49Å; Y426-R450 VanDerWaalsContact CE2-NE 3.33Å; Y426-R450 HydrophobicContact CG-CG 4.16Å; R450-W452 VanDerWaalsContact CD-CE2 3.45Å; R450-W452 VanDerWaalsContact CD-CZ2 3.41Å; R450-W452 HydrophobicContact CG-CD2 4.27Å; R450-W452 VanDerWaalsContact NH1-CZ2 3.29Å; R450-S468 WeakPolarHBondContact O-CA 3.5Å; R450-S468 WeakPolarHBondContact O-CB 3.41Å; R450-S468 PolarHBondContact O-OG 2.82Å; R450-D469 PolarHBondContact O-N 2.87Å
451	C	98.5	Very high	97.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.5	166.1	-174.7	0	0	0	0	108.7	S409 S424 D425 K449 G467	S409-C451 VanDerWaalsContact CB-O 3.28Å; S409-C451 WeakPolarHBondContact CB-O 3.47Å; S409-C451 PolarHBondContact OG-O 3.08Å; S424-C451 WeakPolarHBondContact CB-SG 3.17Å; D425-C451 PolarHBondContact O-N 2.75Å; K449-C451 PolarHBondContact O-N 3.13Å; C451-G467 CarbonylContact C-O 3.46Å; C451-G467 WeakPolarHBondContact CA-O 3.34Å; C451-G467 PolarHBondContact SG-O 2.88Å
452	W	98.5	Very high	97.6	Very high	40 Å²	40	49.6 Å²	49.6	15%	0.152	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-28.3	-177.7	-76.9	109.7	0	0	0	113.8	S409 C410 R450 G467 D469 C494 F580	S409-W452 WeakPolarHBondContact CB-O 3.44Å; S409-W452 PolarHBondContact OG-O 3.45Å; C410-W452 WeakPolarHBondContact CB-O 3.49Å; R450-W452 VanDerWaalsContact CD-CE2 3.45Å; R450-W452 VanDerWaalsContact CD-CZ2 3.41Å; R450-W452 HydrophobicContact CG-CD2 4.27Å; R450-W452 VanDerWaalsContact NH1-CZ2 3.29Å; W452-G467 PolarHBondContact N-O 2.77Å; W452-D469 PolarHBondContact NE1-OD1 2.83Å; W452-D469 PolarHBondContact NE1-OD2 2.9Å; W452-C494 VanDerWaalsContact CB-O 3.3Å; W452-C494 WeakPolarHBondContact CB-O 3.33Å; W452-F580 HydrophobicContact CE3-CE2 4.27Å; W452-F580 HydrophobicContact CE3-CZ 4.19Å; W452-F580 AromaticContact CH2-CE2 3.73Å; W452-F580 HydrophobicContact CH2-CE2 3.73Å; W452-F580 HydrophobicContact CH2-CZ 4.23Å; W452-F580 HydrophobicContact CZ2-CE2 4.39Å; W452-F580 HydrophobicContact CZ3-CD2 4.19Å; W452-F580 AromaticContact CZ3-CE2 3.67Å; W452-F580 HydrophobicContact CZ3-CE2 3.67Å; W452-F580 HydrophobicContact CZ3-CZ 4.05Å
453	S	98.4	Very high	97.6	Very high	12 Å²	12	48.3 Å²	48.3	8%	0.084	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	140	-168.3	-178.9	0	0	0	0	110.6	S466 G467 V496	S453-S466 CarbonylContact O-C 3.5Å; S453-S466 WeakPolarHBondContact O-CA 3.48Å; S453-G467 PolarHBondContact O-N 3.25Å; S453-V496 PolarHBondContact OG-N 2.81Å; S453-V496 PolarHBondContact OG-O 3.09Å
454	V	98.6	Very high	97.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.6	170.5	61.8	0	0	0	0	108.8	C410 S412 A422 V430 L464 A465	C410-V454 HydrophobicContact CB-CG1 4.49Å; S412-V454 WeakPolarHBondContact CB-O 3.24Å; A422-V454 HydrophobicContact CB-CG1 4.19Å; A422-V454 HydrophobicContact CB-CG2 3.82Å; V430-V454 HydrophobicContact CG1-CB 4.48Å; V430-V454 HydrophobicContact CG1-CG2 3.78Å; V454-L464 HydrophobicContact CG2-CD1 3.8Å; V454-A465 CarbonylContact C-O 3.56Å; V454-A465 VanDerWaalsContact CA-O 3.29Å; V454-A465 WeakPolarHBondContact CA-O 3.4Å
455	D	98.6	Very high	97.7	Very high	6 Å²	6	45 Å²	45	3%	0.032	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	135.7	176	-165.1	44.1	0	0	0	112.5	S412 L464 A465 V496 K497 F498	S412-D455 PolarHBondContact OG-OD1 2.91Å; D455-L464 CarbonylContact O-C 3.6Å; D455-L464 VanDerWaalsContact O-CA 3.29Å; D455-L464 WeakPolarHBondContact O-CA 3.42Å; D455-L464 WeakPolarHBondContact O-CB 3.09Å; D455-A465 PolarHBondContact N-O 2.81Å; D455-A465 PolarHBondContact O-N 3.12Å; D455-V496 HydrophobicContact CB-CG2 4.29Å; D455-K497 VanDerWaalsContact CG-CE 3.47Å; D455-K497 VanDerWaalsContact OD1-CE 3.24Å; D455-K497 WeakPolarHBondContact OD1-CE 3.22Å; D455-K497 IonicContact OD1-NZ 2.67Å; D455-K497 PolarHBondContact OD1-NZ 3.4Å; D455-K497 WeakPolarHBondContact OD2-CA 3.39Å; D455-K497 WeakPolarHBondContact OD2-CD 3.45Å; D455-K497 WeakPolarHBondContact OD2-CE 3.5Å; D455-K497 IonicContact OD2-NZ 2.73Å; D455-K497 PolarHBondContact OD2-NZ 3.09Å; D455-F498 HydrophobicContact CB-CD2 4.42Å; D455-F498 WeakPolarHBondContact O-CE2 3.32Å; D455-F498 PolarHBondContact OD2-N 2.82Å
456	F	98.5	Very high	97.7	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	148	170.5	-82.5	-74.3	0	0	0	112.1	S412 W413 L420 A422 L432 L458 L464 T478 F498	S412-F456 WeakPolarHBondContact O-CD2 3.45Å; S412-F456 VanDerWaalsContact O-CE2 3.28Å; S412-F456 WeakPolarHBondContact O-CE2 3.26Å; S412-F456 PolarHBondContact OG-N 2.99Å; W413-F456 VanDerWaalsContact C-CD2 3.49Å; L420-F456 HydrophobicContact CD1-CZ 4.45Å; L420-F456 HydrophobicContact CD2-CE1 3.85Å; L420-F456 HydrophobicContact CD2-CZ 3.73Å; L420-F456 HydrophobicContact CG-CE1 4.32Å; L420-F456 HydrophobicContact CG-CE2 4.38Å; L420-F456 HydrophobicContact CG-CZ 3.68Å; A422-F456 HydrophobicContact CB-CD2 4.25Å; A422-F456 HydrophobicContact CB-CE2 3.51Å; A422-F456 HydrophobicContact CB-CZ 3.91Å; L432-F456 HydrophobicContact CD2-CE1 4.47Å; L432-F456 HydrophobicContact CD2-CZ 3.87Å; F456-L458 PolarHBondContact O-N 3.21Å; F456-L464 HydrophobicContact CD1-CB 3.83Å; F456-L464 HydrophobicContact CE1-CB 4.13Å; F456-L464 HydrophobicContact CE1-CD1 4.48Å; F456-L464 HydrophobicContact CE1-CD2 4.1Å; F456-L464 HydrophobicContact CE1-CG 4.46Å; F456-L464 HydrophobicContact CG-CB 4.36Å; F456-T478 HydrophobicContact CE1-CG2 4.39Å; F456-F498 WeakPolarHBondContact O-CD2 3.49Å
457	N	97.8	Very high	97.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	17%	0.168	C	C	.	.			trans	-74.3	117	170.8	-169.6	-20.2	0	0	0	110.1	M459 D460 L463 F498 R503	N457-M459 PolarHBondContact O-N 3.34Å; N457-M459 VanDerWaalsContact O-N 3.13Å; N457-M459 PolarHBondContact OD1-N 3.16Å; N457-D460 HydrophobicContact CB-CB 4.04Å; N457-D460 WeakPolarHBondContact ND2-CB 3.47Å; N457-D460 PolarHBondContact O-N 3.26Å; N457-D460 VanDerWaalsContact O-O 3.13Å; N457-D460 PolarHBondContact OD1-N 3.26Å; N457-L463 HydrophobicContact CB-CB 3.89Å; N457-L463 WeakPolarHBondContact CB-O 3.36Å; N457-L463 PolarHBondContact N-O 3.02Å; N457-L463 WeakPolarHBondContact ND2-CD2 3.23Å; N457-F498 HydrophobicContact CB-CD1 3.85Å; N457-F498 HydrophobicContact CB-CD2 4.06Å; N457-F498 HydrophobicContact CB-CE1 3.79Å; N457-F498 HydrophobicContact CB-CE2 4.01Å; N457-F498 HydrophobicContact CB-CG 3.97Å; N457-F498 HydrophobicContact CB-CZ 3.88Å; N457-F498 WeakPolarHBondContact ND2-CE1 3.46Å; N457-R503 PolarHBondContact ND2-O 3.43Å
458	L	94.5	Very high	97.8	Very high	58 Å²	58	35.2 Å²	35.2	30%	0.304	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.5	-179.3	-62.8	171.3	0	0	0	113.2	Y416 F456 P500	Y416-L458 WeakPolarHBondContact CE2-O 3.36Å; Y416-L458 PolarHBondContact OH-O 2.61Å; F456-L458 PolarHBondContact O-N 3.21Å; L458-P500 HydrophobicContact CD1-CB 3.88Å
459	M	95.8	Very high	97.8	Very high	95 Å²	95	30 Å²	30	47%	0.468	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	11	-173.9	-61.9	-64.9	-73.1	0	0	113.2	Y416 N457 R503	Y416-M459 WeakPolarHBondContact OH-CA 3.44Å; N457-M459 PolarHBondContact O-N 3.34Å; N457-M459 VanDerWaalsContact O-N 3.13Å; N457-M459 PolarHBondContact OD1-N 3.16Å; M459-R503 HydrophobicContact CB-CB 3.64Å
460	D	96.3	Very high	97.8	Very high	22 Å²	22	25.4 Å²	25.4	12%	0.118	12%	0.123	C	C	.	.			trans	-148.2	114.9	172.8	-171.8	-28.1	0	0	0	110.9	Y416 N457 K462 L463 R503	Y416-D460 PolarHBondContact OH-N 3.18Å; N457-D460 HydrophobicContact CB-CB 4.04Å; N457-D460 WeakPolarHBondContact ND2-CB 3.47Å; N457-D460 PolarHBondContact O-N 3.26Å; N457-D460 VanDerWaalsContact O-O 3.13Å; N457-D460 PolarHBondContact OD1-N 3.26Å; D460-K462 PolarHBondContact O-N 3.03Å; D460-K462 PolarHBondContact OD1-N 2.91Å; D460-L463 HydrophobicContact CB-CB 4.1Å; D460-L463 PolarHBondContact O-N 2.83Å; D460-R503 HydrophobicContact CB-CB 4.43Å; D460-R503 IonicContact OD2-CZ 3.73Å; D460-R503 IonicContact OD2-NE 2.72Å; D460-R503 IonicContact OD2-NH2 3.37Å; D460-R503 PolarHBondContact OD2-NH2 3.27Å
461	P	96.3	Very high	97.7	Very high	44 Å²	44	22.4 Å²	22.4	29%	0.286	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.5	-175.2	24.8	-34.4	0	0	0	114.8	Y416	Y416-P461 HydrophobicContact CD1-CB 3.85Å; Y416-P461 HydrophobicContact CD1-CG 4.39Å; Y416-P461 VanDerWaalsContact CD2-CA 3.47Å; Y416-P461 HydrophobicContact CD2-CB 3.82Å; Y416-P461 HydrophobicContact CE1-CB 4.32Å; Y416-P461 HydrophobicContact CE1-CG 4.47Å; Y416-P461 HydrophobicContact CE2-CB 4.28Å; Y416-P461 HydrophobicContact CG-CB 3.58Å
462	K	96.1	Very high	97.7	Very high	99 Å²	99	24.6 Å²	24.6	43%	0.43	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-22.6	-174	-63.4	177.2	-177	178	0	113.4	D460 S477 T478	D460-K462 PolarHBondContact O-N 3.03Å; D460-K462 PolarHBondContact OD1-N 2.91Å; K462-S477 CarbonylContact O-C 3.59Å; K462-S477 VanDerWaalsContact O-CA 3.27Å; K462-S477 WeakPolarHBondContact O-CA 3.41Å; K462-T478 PolarHBondContact O-N 3.05Å
463	L	97.8	Very high	97.7	Very high	24 Å²	24	22.7 Å²	22.7	13%	0.126	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.5	-168.7	-161.3	76	0	0	0	111	N457 D460 L475 W476 V484 F498 L520	N457-L463 HydrophobicContact CB-CB 3.89Å; N457-L463 WeakPolarHBondContact CB-O 3.36Å; N457-L463 PolarHBondContact N-O 3.02Å; N457-L463 WeakPolarHBondContact ND2-CD2 3.23Å; D460-L463 HydrophobicContact CB-CB 4.1Å; D460-L463 PolarHBondContact O-N 2.83Å; L463-L475 HydrophobicContact CD1-CB 4.44Å; L463-L475 HydrophobicContact CD2-CD1 4.46Å; L463-W476 WeakPolarHBondContact CA-O 3.28Å; L463-V484 HydrophobicContact CD1-CG2 4.03Å; L463-F498 HydrophobicContact CD2-CE1 3.84Å; L463-F498 HydrophobicContact CD2-CZ 3.85Å; L463-F498 HydrophobicContact CG-CZ 4.15Å; L463-L520 HydrophobicContact CD2-CD1 3.98Å
464	L	98.4	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	162.9	166.3	65.6	151.8	0	0	0	110.3	A422 V430 L432 V454 D455 F456 L475 W476 T478	A422-L464 HydrophobicContact CB-CD1 4.17Å; V430-L464 HydrophobicContact CG1-CD1 4.13Å; L432-L464 HydrophobicContact CD1-CD2 4.49Å; L432-L464 HydrophobicContact CD2-CD1 3.77Å; L432-L464 HydrophobicContact CD2-CD2 4.4Å; V454-L464 HydrophobicContact CG2-CD1 3.8Å; D455-L464 CarbonylContact O-C 3.6Å; D455-L464 VanDerWaalsContact O-CA 3.29Å; D455-L464 WeakPolarHBondContact O-CA 3.42Å; D455-L464 WeakPolarHBondContact O-CB 3.09Å; F456-L464 HydrophobicContact CD1-CB 3.83Å; F456-L464 HydrophobicContact CE1-CB 4.13Å; F456-L464 HydrophobicContact CE1-CD1 4.48Å; F456-L464 HydrophobicContact CE1-CD2 4.1Å; F456-L464 HydrophobicContact CE1-CG 4.46Å; F456-L464 HydrophobicContact CG-CB 4.36Å; L464-L475 WeakPolarHBondContact O-CA 3.29Å; L464-W476 HydrophobicContact CD2-CB 3.83Å; L464-W476 HydrophobicContact CG-CB 3.91Å; L464-W476 HydrophobicContact CG-CG 4.36Å; L464-W476 PolarHBondContact N-O 2.72Å; L464-W476 PolarHBondContact O-N 2.96Å; L464-T478 HydrophobicContact CD2-CG2 4.22Å
465	A	98.6	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152	-179.3	0	0	0	0	0	110.7	V454 D455 V473 K474 L475 V496 F498 L506	V454-A465 CarbonylContact C-O 3.56Å; V454-A465 VanDerWaalsContact CA-O 3.29Å; V454-A465 WeakPolarHBondContact CA-O 3.4Å; D455-A465 PolarHBondContact N-O 2.81Å; D455-A465 PolarHBondContact O-N 3.12Å; A465-V473 HydrophobicContact CB-CG1 4.46Å; A465-K474 CarbonylContact C-O 3.53Å; A465-K474 VanDerWaalsContact CA-O 3.3Å; A465-K474 WeakPolarHBondContact CA-O 3.28Å; A465-L475 HydrophobicContact CB-CD2 3.53Å; A465-V496 HydrophobicContact CB-CG2 4.38Å; A465-F498 HydrophobicContact CB-CD2 4.43Å; A465-F498 HydrophobicContact CB-CE2 3.49Å; A465-F498 VanDerWaalsContact CB-CE2 3.49Å; A465-F498 HydrophobicContact CB-CZ 3.85Å; A465-L506 HydrophobicContact CB-CD1 3.49Å; A465-L506 VanDerWaalsContact CB-CD1 3.49Å
466	S	98.7	Very high	97.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.8	172.4	62.6	0	0	0	0	112.4	H447 S453 V473 K474 W476	H447-S466 PolarHBondContact NE2-OG 2.94Å; S453-S466 CarbonylContact O-C 3.5Å; S453-S466 WeakPolarHBondContact O-CA 3.48Å; S466-V473 CarbonylContact O-C 3.52Å; S466-V473 VanDerWaalsContact O-CA 3.24Å; S466-V473 WeakPolarHBondContact O-CA 3.3Å; S466-K474 PolarHBondContact N-O 2.88Å; S466-K474 PolarHBondContact O-N 3.24Å; S466-W476 PolarHBondContact OG-NE1 2.91Å
467	G	98.5	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.5	177.4	0	0	0	0	0	112.4	C451 W452 S453	C451-G467 CarbonylContact C-O 3.46Å; C451-G467 WeakPolarHBondContact CA-O 3.34Å; C451-G467 PolarHBondContact SG-O 2.88Å; W452-G467 PolarHBondContact N-O 2.77Å; S453-G467 PolarHBondContact O-N 3.25Å
468	S	98.6	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	164	-172.5	170.7	0	0	0	0	114.3	H447 K449 R450 D470 A471 K472 V493	H447-S468 VanDerWaalsContact ND1-CB 3.27Å; H447-S468 WeakPolarHBondContact ND1-CB 3.47Å; K449-S468 PolarHBondContact O-OG 2.97Å; R450-S468 WeakPolarHBondContact O-CA 3.5Å; R450-S468 WeakPolarHBondContact O-CB 3.41Å; R450-S468 PolarHBondContact O-OG 2.82Å; S468-D470 VanDerWaalsContact CB-OD1 3.25Å; S468-D470 WeakPolarHBondContact CB-OD1 3.35Å; S468-D470 PolarHBondContact O-N 2.9Å; S468-D470 PolarHBondContact OG-N 2.85Å; S468-D470 PolarHBondContact OG-OD1 2.99Å; S468-A471 PolarHBondContact O-N 3.43Å; S468-K472 PolarHBondContact N-O 2.82Å; S468-V493 PolarHBondContact O-N 2.89Å
469	D	98.4	Very high	97.7	Very high	26 Å²	26	27.1 Å²	27.1	14%	0.139	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.5	167.3	-81.4	-29.2	0	0	0	113.7	K449 R450 W452 A471 N492	K449-D469 HydrophobicContact CB-CB 3.81Å; K449-D469 HydrophobicContact CD-CB 4.03Å; K449-D469 WeakPolarHBondContact CD-O 3.24Å; K449-D469 PolarHBondContact NZ-O 2.9Å; R450-D469 PolarHBondContact O-N 2.87Å; W452-D469 PolarHBondContact NE1-OD1 2.83Å; W452-D469 PolarHBondContact NE1-OD2 2.9Å; D469-A471 PolarHBondContact O-N 3.24Å; D469-N492 WeakPolarHBondContact OD1-CB 3.3Å; D469-N492 PolarHBondContact OD1-ND2 2.98Å
470	D	97.9	Very high	97.7	Very high	18 Å²	18	26.8 Å²	26.8	10%	0.096	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	4	170.8	71	5.4	0	0	0	114	H447 E448 K449 S468 K472	H447-D470 VanDerWaalsContact CA-OD2 3.31Å; H447-D470 WeakPolarHBondContact CA-OD2 3.4Å; H447-D470 IonicContact CE1-OD1 2.65Å; H447-D470 IonicContact CE1-OD2 2.67Å; H447-D470 IonicContact CG-OD2 3.52Å; H447-D470 IonicContact ND1-OD1 2.76Å; H447-D470 PolarHBondContact ND1-OD1 2.8Å; H447-D470 IonicContact ND1-OD2 3.94Å; H447-D470 PolarHBondContact ND1-OD2 3.1Å; E448-D470 HydrophobicContact CB-CB 4.23Å; E448-D470 PolarHBondContact N-OD2 3.29Å; K449-D470 HydrophobicContact CB-CB 4.4Å; K449-D470 HydrophobicContact CD-CB 4.48Å; K449-D470 HydrophobicContact CG-CB 4.46Å; S468-D470 VanDerWaalsContact CB-OD1 3.25Å; S468-D470 WeakPolarHBondContact CB-OD1 3.35Å; S468-D470 PolarHBondContact O-N 2.9Å; S468-D470 PolarHBondContact OG-N 2.85Å; S468-D470 PolarHBondContact OG-OD1 2.99Å; D470-K472 PolarHBondContact O-N 3.21Å; D470-K472 WeakPolarHBondContact OD1-CB 3.27Å; D470-K472 PolarHBondContact OD1-N 2.96Å
471	A	97.8	Very high	97.7	Very high	21 Å²	21	30.8 Å²	30.8	17%	0.174	16%	0.164	C	C	.	.	S	Bend	trans	62.9	22.5	-177.2	0	0	0	0	0	114.5	S468 D469 A489 A491	S468-A471 PolarHBondContact O-N 3.43Å; D469-A471 PolarHBondContact O-N 3.24Å; A471-A489 WeakPolarHBondContact O-CA 3.26Å; A471-A489 WeakPolarHBondContact O-CB 3.41Å; A471-A489 PolarHBondContact O-N 3.39Å; A471-A491 WeakPolarHBondContact CB-O 3.45Å
472	K	98.1	Very high	97.8	Very high	45 Å²	45	34 Å²	34	20%	0.196	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.6	175.4	-60.5	165.9	-174.2	170.9	0	111	E448 S468 D470 I487	E448-K472 IonicContact OE1-NZ 2.78Å; E448-K472 PolarHBondContact OE1-NZ 3.09Å; S468-K472 PolarHBondContact N-O 2.82Å; D470-K472 PolarHBondContact O-N 3.21Å; D470-K472 WeakPolarHBondContact OD1-CB 3.27Å; D470-K472 PolarHBondContact OD1-N 2.96Å; K472-I487 WeakPolarHBondContact CA-O 3.19Å
473	V	98.6	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.7	156.4	-179.6	0	0	0	0	107.4	A465 S466 S486 I487 V493 V496 L506 F508	A465-V473 HydrophobicContact CB-CG1 4.46Å; S466-V473 CarbonylContact O-C 3.52Å; S466-V473 VanDerWaalsContact O-CA 3.24Å; S466-V473 WeakPolarHBondContact O-CA 3.3Å; V473-S486 CarbonylContact O-C 3.58Å; V473-S486 VanDerWaalsContact O-CA 3.29Å; V473-S486 WeakPolarHBondContact O-CA 3.21Å; V473-I487 HydrophobicContact CB-CB 4.23Å; V473-I487 PolarHBondContact N-O 3.19Å; V473-I487 PolarHBondContact O-N 2.89Å; V473-V493 HydrophobicContact CG2-CB 4.43Å; V473-V493 HydrophobicContact CG2-CG1 3.98Å; V473-V493 HydrophobicContact CG2-CG2 3.93Å; V473-V496 HydrophobicContact CG1-CG1 4.06Å; V473-V496 HydrophobicContact CG2-CG1 4.09Å; V473-L506 HydrophobicContact CG1-CD1 4.48Å; V473-L506 HydrophobicContact CG1-CD2 4.39Å; V473-F508 HydrophobicContact CG2-CB 4.35Å; V473-F508 HydrophobicContact CG2-CD1 3.8Å; V473-F508 HydrophobicContact CG2-CD2 4.3Å; V473-F508 HydrophobicContact CG2-CE1 4.02Å; V473-F508 HydrophobicContact CG2-CG 3.94Å; V473-F508 HydrophobicContact CG2-CZ 4.37Å
474	K	98.5	Very high	97.8	Very high	18 Å²	18	33 Å²	33	8%	0.078	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141	175.1	-75.8	179.3	174.5	-81.2	0	110.2	E446 A465 S466 W476	E446-K474 HydrophobicContact CB-CD 4Å; E446-K474 VanDerWaalsContact O-CE 3.29Å; E446-K474 WeakPolarHBondContact O-CE 3.36Å; E446-K474 IonicContact OE2-NZ 2.67Å; E446-K474 PolarHBondContact OE2-NZ 3.09Å; A465-K474 CarbonylContact C-O 3.53Å; A465-K474 VanDerWaalsContact CA-O 3.3Å; A465-K474 WeakPolarHBondContact CA-O 3.28Å; S466-K474 PolarHBondContact N-O 2.88Å; S466-K474 PolarHBondContact O-N 3.24Å; K474-W476 HydrophobicContact CB-CH2 4.3Å; K474-W476 HydrophobicContact CB-CZ2 3.57Å; K474-W476 HydrophobicContact CD-CH2 3.64Å; K474-W476 HydrophobicContact CD-CZ2 3.56Å; K474-W476 HydrophobicContact CG-CZ2 4.2Å
475	L	98.4	Very high	97.7	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.9	169.7	-59.6	-167.1	0	0	0	110.1	L463 L464 A465 S483 V484 A485 F498 L506 L520	L463-L475 HydrophobicContact CD1-CB 4.44Å; L463-L475 HydrophobicContact CD2-CD1 4.46Å; L464-L475 WeakPolarHBondContact O-CA 3.29Å; A465-L475 HydrophobicContact CB-CD2 3.53Å; L475-S483 CarbonylContact O-C 3.51Å; L475-S483 WeakPolarHBondContact O-CA 3.49Å; L475-S483 WeakPolarHBondContact O-CB 3.16Å; L475-V484 HydrophobicContact CB-CG2 3.7Å; L475-V484 PolarHBondContact O-N 2.84Å; L475-A485 HydrophobicContact CB-CB 4.39Å; L475-A485 HydrophobicContact CD1-CB 4.25Å; L475-A485 HydrophobicContact CG-CB 4.41Å; L475-A485 PolarHBondContact N-O 2.91Å; L475-F498 HydrophobicContact CD2-CZ 4.4Å; L475-L506 HydrophobicContact CD2-CD1 4.13Å; L475-L520 HydrophobicContact CD1-CB 4.42Å; L475-L520 HydrophobicContact CD1-CD1 3.71Å; L475-L520 HydrophobicContact CD1-CD2 3.92Å; L475-L520 HydrophobicContact CD1-CG 4.2Å; L475-L520 HydrophobicContact CD2-CD1 4.47Å; L475-L520 HydrophobicContact CD2-CD2 4.47Å
476	W	98.4	Very high	97.6	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.6	-177.9	-42.3	90.6	0	0	0	110.1	Y444 E446 L463 L464 S466 K474	Y444-W476 HydrophobicContact CD1-CD2 4.14Å; Y444-W476 AromaticContact CD1-CE3 3.39Å; Y444-W476 HydrophobicContact CD1-CE3 3.39Å; Y444-W476 AromaticContact CD1-CZ3 3.74Å; Y444-W476 HydrophobicContact CD1-CZ3 3.74Å; Y444-W476 HydrophobicContact CD2-CB 4.35Å; Y444-W476 HydrophobicContact CD2-CD2 4.06Å; Y444-W476 HydrophobicContact CD2-CE3 4.14Å; Y444-W476 HydrophobicContact CD2-CG 4.16Å; Y444-W476 HydrophobicContact CE1-CB 4.45Å; Y444-W476 AromaticContact CE1-CE3 3.94Å; Y444-W476 HydrophobicContact CE1-CE3 3.94Å; Y444-W476 HydrophobicContact CE2-CB 3.95Å; Y444-W476 HydrophobicContact CE2-CG 4.26Å; Y444-W476 AromaticContact CG-CD2 3.86Å; Y444-W476 HydrophobicContact CG-CD2 3.86Å; Y444-W476 AromaticContact CG-CE3 3.5Å; Y444-W476 HydrophobicContact CG-CE3 3.5Å; Y444-W476 HydrophobicContact CG-CG 4.42Å; Y444-W476 HydrophobicContact CG-CH2 4.39Å; Y444-W476 AromaticContact CG-CZ3 3.81Å; Y444-W476 HydrophobicContact CG-CZ3 3.81Å; E446-W476 HydrophobicContact CB-CH2 3.84Å; E446-W476 HydrophobicContact CB-CZ3 4.4Å; E446-W476 HydrophobicContact CG-CH2 3.8Å; E446-W476 HydrophobicContact CG-CZ3 3.86Å; L463-W476 WeakPolarHBondContact CA-O 3.28Å; L464-W476 HydrophobicContact CD2-CB 3.83Å; L464-W476 HydrophobicContact CG-CB 3.91Å; L464-W476 HydrophobicContact CG-CG 4.36Å; L464-W476 PolarHBondContact N-O 2.72Å; L464-W476 PolarHBondContact O-N 2.96Å; S466-W476 PolarHBondContact OG-NE1 2.91Å; K474-W476 HydrophobicContact CB-CH2 4.3Å; K474-W476 HydrophobicContact CB-CZ2 3.57Å; K474-W476 HydrophobicContact CD-CH2 3.64Å; K474-W476 HydrophobicContact CD-CZ2 3.56Å; K474-W476 HydrophobicContact CG-CZ2 4.2Å
477	S	97.8	Very high	97.6	Very high	18 Å²	18	37.3 Å²	37.3	13%	0.126	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.4	169.9	175.3	0	0	0	0	108.2	Y444 K462 N479 L480	Y444-S477 PolarHBondContact OH-O 2.88Å; K462-S477 CarbonylContact O-C 3.59Å; K462-S477 VanDerWaalsContact O-CA 3.27Å; K462-S477 WeakPolarHBondContact O-CA 3.41Å; S477-N479 PolarHBondContact O-N 2.89Å; S477-L480 PolarHBondContact O-N 2.91Å
478	T	97	Very high	97.5	Very high	26 Å²	26	44.4 Å²	44.4	16%	0.16	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-25.2	177.6	56	0	0	0	0	113.4	L420 L432 K442 F456 K462 L464	L420-T478 HydrophobicContact CD2-CG2 4.25Å; L432-T478 HydrophobicContact CD1-CG2 3.88Å; K442-T478 WeakPolarHBondContact CE-O 3.46Å; F456-T478 HydrophobicContact CE1-CG2 4.39Å; K462-T478 PolarHBondContact O-N 3.05Å; L464-T478 HydrophobicContact CD2-CG2 4.22Å
479	N	95.8	Very high	97.3	Very high	105 Å²	105	45.2 Å²	45.2	56%	0.561	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.5	-178.5	-70.5	24.5	0	0	0	114	S477	S477-N479 PolarHBondContact O-N 2.89Å
480	L	96.6	Very high	97.1	Very high	89 Å²	89	52.6 Å²	52.6	47%	0.466	29%	0.286	S	S	.	.			trans	-123.3	155.4	-177.3	-61.1	174.2	0	0	0	109.8	Y444 S477 V484	Y444-L480 VanDerWaalsContact CE1-O 3.29Å; Y444-L480 WeakPolarHBondContact CE1-O 3.42Å; Y444-L480 PolarHBondContact OH-O 2.88Å; Y444-L480 VanDerWaalsContact OH-O 3.14Å; S477-L480 PolarHBondContact O-N 2.91Å; L480-V484 HydrophobicContact CD1-CG1 3.62Å
481	D	96.4	Very high	97	Very high	106 Å²	106	52.9 Å²	52.9	57%	0.567	29%	0.291	S	S	*	.	S	Bend	trans	-92.1	-18.2	-179.3	-59.7	-56.6	0	0	0	113.2	K442 Y444	K442-D481 WeakPolarHBondContact CD-OD1 3.18Å; K442-D481 WeakPolarHBondContact CE-OD1 3.18Å; K442-D481 IonicContact NZ-OD1 2.77Å; K442-D481 PolarHBondContact NZ-OD1 3.49Å; K442-D481 IonicContact NZ-OD2 3.9Å; Y444-D481 WeakPolarHBondContact CD1-O 3.39Å
482	N	96.6	Very high	97	Very high	112 Å²	112	54.9 Å²	54.9	60%	0.599	30%	0.299	S	S	*	.	S	Bend	trans	-115.5	162.7	-179.9	-59.9	-25.4	0	0	0	111.3	E446	E446-N482 WeakPolarHBondContact OE1-CA 3.48Å; E446-N482 WeakPolarHBondContact OE1-CB 3.42Å
483	S	97.5	Very high	97.1	Very high	32 Å²	32	52.8 Å²	52.8	22%	0.224	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	141.7	175.6	63.6	0	0	0	0	112.1	E446 L475	E446-S483 PolarHBondContact OE1-N 3.21Å; E446-S483 VanDerWaalsContact OE2-CB 3.3Å; E446-S483 WeakPolarHBondContact OE2-CB 3.2Å; E446-S483 PolarHBondContact OE2-OG 2.92Å; L475-S483 CarbonylContact O-C 3.51Å; L475-S483 WeakPolarHBondContact O-CA 3.49Å; L475-S483 WeakPolarHBondContact O-CB 3.16Å
484	V	97.4	Very high	97	Very high	69 Å²	69	53.4 Å²	53.4	42%	0.418	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-23.5	179.8	-62.7	0	0	0	0	112.8	L463 L475 L480	L463-V484 HydrophobicContact CD1-CG2 4.03Å; L475-V484 HydrophobicContact CB-CG2 3.7Å; L475-V484 PolarHBondContact O-N 2.84Å; L480-V484 HydrophobicContact CD1-CG1 3.62Å
485	A	96.3	Very high	97	Very high	34 Å²	34	52.8 Å²	52.8	28%	0.281	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	157.7	177.6	0	0	0	0	0	110.2	L475	L475-A485 HydrophobicContact CB-CB 4.39Å; L475-A485 HydrophobicContact CD1-CB 4.25Å; L475-A485 HydrophobicContact CG-CB 4.41Å; L475-A485 PolarHBondContact N-O 2.91Å
486	S	96.8	Very high	97	Very high	55 Å²	55	52.7 Å²	52.7	39%	0.385	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139	168.9	55.7	0	0	0	0	111	V473	V473-S486 CarbonylContact O-C 3.58Å; V473-S486 VanDerWaalsContact O-CA 3.29Å; V473-S486 WeakPolarHBondContact O-CA 3.21Å
487	I	97.9	Very high	97	Very high	2 Å²	2	54 Å²	54	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.4	169.8	-48.3	177.3	0	0	0	107.2	K472 V473 F508 Y518 L520 T523	K472-I487 WeakPolarHBondContact CA-O 3.19Å; V473-I487 HydrophobicContact CB-CB 4.23Å; V473-I487 PolarHBondContact N-O 3.19Å; V473-I487 PolarHBondContact O-N 2.89Å; I487-F508 HydrophobicContact CG2-CE1 4.41Å; I487-Y518 HydrophobicContact CD1-CD1 4.19Å; I487-Y518 HydrophobicContact CD1-CG 4.08Å; I487-Y518 HydrophobicContact CG2-CD1 4.19Å; I487-Y518 HydrophobicContact CG2-CE1 3.74Å; I487-Y518 HydrophobicContact CG2-CE2 4.08Å; I487-L520 HydrophobicContact CD1-CD2 3.96Å; I487-T523 HydrophobicContact CD1-CG2 4.18Å; I487-T523 HydrophobicContact CG1-CG2 3.78Å
488	E	96.5	Very high	97	Very high	148 Å²	148	53.2 Å²	53.2	69%	0.692	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	119.4	174.5	-62.4	-170.4	154	0	0	109.8
489	A	95.6	Very high	97	Very high	17 Å²	17	52 Å²	52	14%	0.14	28%	0.284	C	S	.	.			trans	-92.1	165	173.9	0	0	0	0	0	110.7	A471 A491 V493 F508	A471-A489 WeakPolarHBondContact O-CA 3.26Å; A471-A489 WeakPolarHBondContact O-CB 3.41Å; A471-A489 PolarHBondContact O-N 3.39Å; A489-A491 VanDerWaalsContact C-N 3.3Å; A489-A491 PolarHBondContact O-N 3.38Å; A489-V493 HydrophobicContact CB-CG2 3.71Å; A489-F508 HydrophobicContact CB-CE2 3.77Å; A489-F508 HydrophobicContact CB-CZ 4.07Å
490	K	93	Very high	96.9	Very high	182 Å²	182	49.4 Å²	49.4	79%	0.791	27%	0.273	S	S	*	.	S	Bend	trans	-77.3	-17.2	-179.6	-65.3	-177.7	177.9	-178.1	0	113.9
491	A	96.9	Very high	96.8	Very high	24 Å²	24	49 Å²	49	20%	0.198	28%	0.277	C	S	.	.	S	Bend	trans	-159.3	-179.9	-179.5	0	0	0	0	0	109.3	A471 A489 A511 D512	A471-A491 WeakPolarHBondContact CB-O 3.45Å; A489-A491 VanDerWaalsContact C-N 3.3Å; A489-A491 PolarHBondContact O-N 3.38Å; A491-A511 HydrophobicContact CB-CB 3.94Å; A491-D512 HydrophobicContact CB-CB 4.47Å
492	N	97.9	Very high	96.8	Very high	63 Å²	63	45.1 Å²	45.1	34%	0.337	26%	0.258	S	S	.	.			trans	-48.8	136.7	-179.8	-51.8	29.8	0	0	0	112.1	D469 A511	D469-N492 WeakPolarHBondContact OD1-CB 3.3Å; D469-N492 PolarHBondContact OD1-ND2 2.98Å; N492-A511 HydrophobicContact CB-CB 3.99Å; N492-A511 WeakPolarHBondContact O-CB 3.49Å; N492-A511 PolarHBondContact O-N 2.85Å
493	V	98.4	Very high	96.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.9	177.2	-177	0	0	0	0	109.4	S468 V473 A489 V496 F508	S468-V493 PolarHBondContact O-N 2.89Å; V473-V493 HydrophobicContact CG2-CB 4.43Å; V473-V493 HydrophobicContact CG2-CG1 3.98Å; V473-V493 HydrophobicContact CG2-CG2 3.93Å; A489-V493 HydrophobicContact CB-CG2 3.71Å; V493-V496 HydrophobicContact CG1-CG1 3.92Å; V493-F508 HydrophobicContact CG1-CB 3.95Å; V493-F508 HydrophobicContact CG1-CD2 3.95Å; V493-F508 HydrophobicContact CG1-CG 4.24Å; V493-F508 HydrophobicContact CG2-CD2 4.13Å; V493-F508 HydrophobicContact CG2-CE2 4.22Å
494	C	97.9	Very high	96.7	Very high	13 Å²	13	47.4 Å²	47.4	9%	0.088	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-25.6	-174.8	-59.6	0	0	0	0	113.2	W452 G509 V537 F580	W452-C494 VanDerWaalsContact CB-O 3.3Å; W452-C494 WeakPolarHBondContact CB-O 3.33Å; C494-G509 PolarHBondContact N-O 3.45Å; C494-V537 WeakPolarHBondContact CB-O 3.31Å; C494-F580 HydrophobicContact CB-CE1 4.24Å; C494-F580 HydrophobicContact CB-CZ 4.43Å
495	C	98	Very high	96.7	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.034	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	145.1	179.8	54.2	0	0	0	0	111.7	F508 G509 Y539 A540	C495-F508 CarbonylContact O-C 3.56Å; C495-F508 WeakPolarHBondContact O-CA 3.33Å; C495-F508 WeakPolarHBondContact O-CB 3.4Å; C495-G509 PolarHBondContact O-N 3.47Å; C495-G509 WeakPolarHBondContact SG-CA 3.29Å; C495-G509 PolarHBondContact SG-N 2.91Å; C495-G509 VanDerWaalsContact SG-N 3.38Å; C495-Y539 WeakPolarHBondContact SG-CA 3.45Å; C495-A540 PolarHBondContact SG-N 3.43Å
496	V	98.4	Very high	96.8	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.03	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.4	172.5	-61.1	0	0	0	0	109.8	S453 D455 A465 V473 V493 F508	S453-V496 PolarHBondContact OG-N 2.81Å; S453-V496 PolarHBondContact OG-O 3.09Å; D455-V496 HydrophobicContact CB-CG2 4.29Å; A465-V496 HydrophobicContact CB-CG2 4.38Å; V473-V496 HydrophobicContact CG1-CG1 4.06Å; V473-V496 HydrophobicContact CG2-CG1 4.09Å; V493-V496 HydrophobicContact CG1-CG1 3.92Å; V496-F508 HydrophobicContact CG1-CB 3.99Å
497	K	98.4	Very high	96.9	Very high	30 Å²	30	42 Å²	42	13%	0.13	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	133.6	174.6	-116.9	-73.3	153.9	-150.2	0	111	D455 A507 K541 F542	D455-K497 VanDerWaalsContact CG-CE 3.47Å; D455-K497 VanDerWaalsContact OD1-CE 3.24Å; D455-K497 WeakPolarHBondContact OD1-CE 3.22Å; D455-K497 IonicContact OD1-NZ 2.67Å; D455-K497 PolarHBondContact OD1-NZ 3.4Å; D455-K497 WeakPolarHBondContact OD2-CA 3.39Å; D455-K497 WeakPolarHBondContact OD2-CD 3.45Å; D455-K497 WeakPolarHBondContact OD2-CE 3.5Å; D455-K497 IonicContact OD2-NZ 2.73Å; D455-K497 PolarHBondContact OD2-NZ 3.09Å; K497-A507 PolarHBondContact N-O 2.83Å; K497-A507 PolarHBondContact O-N 3.2Å; K497-K541 HydrophobicContact CD-CD 4.47Å; K497-K541 HydrophobicContact CG-CD 3.95Å; K497-F542 HydrophobicContact CB-CD2 4.24Å; K497-F542 HydrophobicContact CB-CE2 4.34Å
498	F	98.3	Very high	96.9	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	150.1	166.6	-79.4	-86.7	0	0	0	112	D455 F456 N457 L463 A465 L475 L506 L520 F542	D455-F498 HydrophobicContact CB-CD2 4.42Å; D455-F498 WeakPolarHBondContact O-CE2 3.32Å; D455-F498 PolarHBondContact OD2-N 2.82Å; F456-F498 WeakPolarHBondContact O-CD2 3.49Å; N457-F498 HydrophobicContact CB-CD1 3.85Å; N457-F498 HydrophobicContact CB-CD2 4.06Å; N457-F498 HydrophobicContact CB-CE1 3.79Å; N457-F498 HydrophobicContact CB-CE2 4.01Å; N457-F498 HydrophobicContact CB-CG 3.97Å; N457-F498 HydrophobicContact CB-CZ 3.88Å; N457-F498 WeakPolarHBondContact ND2-CE1 3.46Å; L463-F498 HydrophobicContact CD2-CE1 3.84Å; L463-F498 HydrophobicContact CD2-CZ 3.85Å; L463-F498 HydrophobicContact CG-CZ 4.15Å; A465-F498 HydrophobicContact CB-CD2 4.43Å; A465-F498 HydrophobicContact CB-CE2 3.49Å; A465-F498 VanDerWaalsContact CB-CE2 3.49Å; A465-F498 HydrophobicContact CB-CZ 3.85Å; L475-F498 HydrophobicContact CD2-CZ 4.4Å; F498-L506 HydrophobicContact CD1-CD1 4.49Å; F498-L506 HydrophobicContact CE1-CD1 4.16Å; F498-L506 HydrophobicContact CE2-CD1 4.2Å; F498-L506 HydrophobicContact CZ-CD1 4Å; F498-L520 HydrophobicContact CE1-CD1 3.62Å; F498-L520 HydrophobicContact CZ-CD1 4.3Å; F498-F542 WeakPolarHBondContact O-CD2 3.48Å; F498-F542 WeakPolarHBondContact O-CE2 3.25Å
499	S	96.7	Very high	97	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.1	169.8	-179.7	0	0	0	0	110.7	S501 H505	S499-S501 PolarHBondContact O-N 2.85Å; S499-S501 PolarHBondContact OG-N 2.94Å; S499-H505 WeakPolarHBondContact CB-O 3.36Å; S499-H505 PolarHBondContact N-O 2.9Å
500	P	94	Very high	97.1	Very high	50 Å²	50	34 Å²	34	33%	0.325	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.8	174	30.7	-36.2	0	0	0	113.4	L458 F542	L458-P500 HydrophobicContact CD1-CB 3.88Å; P500-F542 HydrophobicContact CG-CB 4.09Å
501	S	94.8	Very high	97.3	Very high	80 Å²	80	26.7 Å²	26.7	56%	0.559	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-6.6	-173.9	-54.3	0	0	0	0	114.2	S499 G545	S499-S501 PolarHBondContact O-N 2.85Å; S499-S501 PolarHBondContact OG-N 2.94Å; S501-G545 VanDerWaalsContact OG-CA 3.24Å; S501-G545 WeakPolarHBondContact OG-CA 3.37Å
502	S	95.9	Very high	97.2	Very high	25 Å²	25	27.6 Å²	27.6	18%	0.175	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	124.7	-179.5	173.3	0	0	0	0	111.7	Y504 H505	S502-Y504 PolarHBondContact O-N 3.43Å; S502-Y504 VanDerWaalsContact O-N 3.1Å; S502-Y504 PolarHBondContact OG-N 2.84Å; S502-H505 WeakPolarHBondContact CB-ND1 3.37Å; S502-H505 PolarHBondContact O-N 2.91Å
503	R	96.1	Very high	97.2	Very high	102 Å²	102	28.3 Å²	28.3	39%	0.385	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	-15.5	174.2	71.8	-173.4	-72	-155.7	1.7	114.3	N457 M459 D460	N457-R503 PolarHBondContact ND2-O 3.43Å; M459-R503 HydrophobicContact CB-CB 3.64Å; D460-R503 HydrophobicContact CB-CB 4.43Å; D460-R503 IonicContact OD2-CZ 3.73Å; D460-R503 IonicContact OD2-NE 2.72Å; D460-R503 IonicContact OD2-NH2 3.37Å; D460-R503 PolarHBondContact OD2-NH2 3.27Å
504	Y	96.4	Very high	97.1	Very high	89 Å²	89	29 Å²	29	35%	0.349	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-4.6	-176.7	-55.6	-68.4	0	0	0	113.3	S502 D519 L520 R521	S502-Y504 PolarHBondContact O-N 3.43Å; S502-Y504 VanDerWaalsContact O-N 3.1Å; S502-Y504 PolarHBondContact OG-N 2.84Å; Y504-D519 CarbonylContact O-C 3.53Å; Y504-D519 WeakPolarHBondContact O-CA 3.48Å; Y504-L520 WeakPolarHBondContact O-CG 3.33Å; Y504-L520 PolarHBondContact O-N 3.14Å; Y504-R521 HydrophobicContact CD1-CG 3.76Å; Y504-R521 HydrophobicContact CE1-CG 4.27Å; Y504-R521 HydrophobicContact CG-CG 4.03Å
505	H	97.4	Very high	97.1	Very high	44 Å²	44	28.4 Å²	28.4	20%	0.204	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.2	-176.7	-65.5	167	0	0	0	111.2	S499 S502 Y517 Y518	S499-H505 WeakPolarHBondContact CB-O 3.36Å; S499-H505 PolarHBondContact N-O 2.9Å; S502-H505 WeakPolarHBondContact CB-ND1 3.37Å; S502-H505 PolarHBondContact O-N 2.91Å; H505-Y517 HydrophobicContact CB-CE2 3.86Å; H505-Y517 WeakPolarHBondContact CB-OH 3.48Å; H505-Y517 AromaticContact CG-CZ 3.94Å; H505-Y517 VanDerWaalsContact CG-OH 3.29Å; H505-Y517 AromaticContact ND1-CZ 3.99Å; H505-Y517 PolarHBondContact ND1-OH 2.83Å; H505-Y518 WeakPolarHBondContact CA-O 3.36Å
506	L	97.8	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.6	-179.7	-177	149.6	0	0	0	109.9	A465 V473 L475 F498 F508 Y517 Y518 L520	A465-L506 HydrophobicContact CB-CD1 3.49Å; A465-L506 VanDerWaalsContact CB-CD1 3.49Å; V473-L506 HydrophobicContact CG1-CD1 4.48Å; V473-L506 HydrophobicContact CG1-CD2 4.39Å; L475-L506 HydrophobicContact CD2-CD1 4.13Å; F498-L506 HydrophobicContact CD1-CD1 4.49Å; F498-L506 HydrophobicContact CE1-CD1 4.16Å; F498-L506 HydrophobicContact CE2-CD1 4.2Å; F498-L506 HydrophobicContact CZ-CD1 4Å; L506-F508 HydrophobicContact CD2-CB 4.28Å; L506-F508 HydrophobicContact CD2-CD1 3.79Å; L506-Y517 WeakPolarHBondContact O-CA 3.16Å; L506-Y517 WeakPolarHBondContact O-CD2 3.21Å; L506-Y518 PolarHBondContact N-O 3.45Å; L506-Y518 VanDerWaalsContact N-O 3.09Å; L506-Y518 PolarHBondContact O-N 3.32Å; L506-L520 HydrophobicContact CB-CD2 4.05Å; L506-L520 HydrophobicContact CB-CG 4.45Å; L506-L520 HydrophobicContact CD1-CD2 4.47Å
507	A	98.2	Very high	97.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.4	170	0	0	0	0	0	110.4	K497 V515 H516 Y517 F542 I548	K497-A507 PolarHBondContact N-O 2.83Å; K497-A507 PolarHBondContact O-N 3.2Å; A507-V515 HydrophobicContact CB-CG1 4.42Å; A507-H516 CarbonylContact C-O 3.56Å; A507-H516 VanDerWaalsContact CA-O 3.3Å; A507-H516 WeakPolarHBondContact CA-O 3.35Å; A507-Y517 HydrophobicContact CB-CD2 4.2Å; A507-F542 HydrophobicContact CB-CE2 3.66Å; A507-F542 HydrophobicContact CB-CZ 3.63Å; A507-I548 HydrophobicContact CB-CD1 4.06Å
508	F	98.3	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	143.5	172.1	66.7	-100.4	0	0	0	112.7	V473 I487 A489 V493 C495 V496 L506 C510 V515 H516 Y518	V473-F508 HydrophobicContact CG2-CB 4.35Å; V473-F508 HydrophobicContact CG2-CD1 3.8Å; V473-F508 HydrophobicContact CG2-CD2 4.3Å; V473-F508 HydrophobicContact CG2-CE1 4.02Å; V473-F508 HydrophobicContact CG2-CG 3.94Å; V473-F508 HydrophobicContact CG2-CZ 4.37Å; I487-F508 HydrophobicContact CG2-CE1 4.41Å; A489-F508 HydrophobicContact CB-CE2 3.77Å; A489-F508 HydrophobicContact CB-CZ 4.07Å; V493-F508 HydrophobicContact CG1-CB 3.95Å; V493-F508 HydrophobicContact CG1-CD2 3.95Å; V493-F508 HydrophobicContact CG1-CG 4.24Å; V493-F508 HydrophobicContact CG2-CD2 4.13Å; V493-F508 HydrophobicContact CG2-CE2 4.22Å; C495-F508 CarbonylContact O-C 3.56Å; C495-F508 WeakPolarHBondContact O-CA 3.33Å; C495-F508 WeakPolarHBondContact O-CB 3.4Å; V496-F508 HydrophobicContact CG1-CB 3.99Å; L506-F508 HydrophobicContact CD2-CB 4.28Å; L506-F508 HydrophobicContact CD2-CD1 3.79Å; F508-C510 HydrophobicContact CD2-CB 4.43Å; F508-C510 HydrophobicContact CE2-CB 4.37Å; F508-V515 WeakPolarHBondContact O-CA 3.25Å; F508-H516 HydrophobicContact CD1-CB 4.16Å; F508-H516 HydrophobicContact CD2-CB 4.03Å; F508-H516 HydrophobicContact CE1-CB 3.82Å; F508-H516 HydrophobicContact CE2-CB 3.64Å; F508-H516 AromaticContact CE2-CD2 3.76Å; F508-H516 AromaticContact CE2-CG 3.74Å; F508-H516 HydrophobicContact CG-CB 4.28Å; F508-H516 HydrophobicContact CZ-CB 3.54Å; F508-H516 AromaticContact CZ-CG 3.89Å; F508-H516 PolarHBondContact N-O 2.86Å; F508-H516 PolarHBondContact O-N 2.99Å; F508-Y518 HydrophobicContact CD1-CD2 4.25Å; F508-Y518 AromaticContact CE1-CD2 3.42Å; F508-Y518 HydrophobicContact CE1-CD2 3.42Å; F508-Y518 VanDerWaalsContact CE1-CD2 3.42Å; F508-Y518 AromaticContact CE1-CE2 3.46Å; F508-Y518 HydrophobicContact CE1-CE2 3.46Å; F508-Y518 VanDerWaalsContact CE1-CE2 3.46Å; F508-Y518 HydrophobicContact CE1-CG 4.47Å; F508-Y518 HydrophobicContact CZ-CD2 4.12Å; F508-Y518 AromaticContact CZ-CE2 3.67Å; F508-Y518 HydrophobicContact CZ-CE2 3.67Å
509	G	98	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130	174.1	0	0	0	0	0	110.7	C494 C495	C494-G509 PolarHBondContact N-O 3.45Å; C495-G509 PolarHBondContact O-N 3.47Å; C495-G509 WeakPolarHBondContact SG-CA 3.29Å; C495-G509 PolarHBondContact SG-N 2.91Å; C495-G509 VanDerWaalsContact SG-N 3.38Å
510	C	97.4	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	153.7	-173.5	-176.4	0	0	0	0	111.3	F508 D512 H513 C514 V537	F508-C510 HydrophobicContact CD2-CB 4.43Å; F508-C510 HydrophobicContact CE2-CB 4.37Å; C510-D512 VanDerWaalsContact CB-OD1 3.22Å; C510-D512 WeakPolarHBondContact CB-OD1 3.2Å; C510-D512 PolarHBondContact O-N 3.47Å; C510-D512 PolarHBondContact SG-N 2.81Å; C510-D512 PolarHBondContact SG-OD1 3.15Å; C510-D512 VanDerWaalsContact SG-OD1 3.4Å; C510-H513 PolarHBondContact O-N 3.29Å; C510-C514 PolarHBondContact N-O 2.95Å; C510-C514 VanDerWaalsContact N-O 3.14Å; C510-V537 PolarHBondContact O-N 2.8Å
511	A	97.1	Very high	97	Very high	27 Å²	27	36 Å²	36	22%	0.223	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.3	172.6	0	0	0	0	0	113.3	A491 N492 H513 A536	A491-A511 HydrophobicContact CB-CB 3.94Å; N492-A511 HydrophobicContact CB-CB 3.99Å; N492-A511 WeakPolarHBondContact O-CB 3.49Å; N492-A511 PolarHBondContact O-N 2.85Å; A511-H513 PolarHBondContact O-CE1 3.25Å; A511-H513 VanDerWaalsContact O-CE1 3.26Å; A511-H513 PolarHBondContact O-N 3.24Å; A511-H513 VanDerWaalsContact O-N 3.13Å; A511-H513 PolarHBondContact O-ND1 2.84Å; A511-A536 HydrophobicContact CB-CB 4.3Å
512	D	96.7	Very high	96.9	Very high	43 Å²	43	36.3 Å²	36.3	23%	0.23	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	10.8	171.2	74.7	2.9	0	0	0	114.8	A491 C510 C514 H516	A491-D512 HydrophobicContact CB-CB 4.47Å; C510-D512 VanDerWaalsContact CB-OD1 3.22Å; C510-D512 WeakPolarHBondContact CB-OD1 3.2Å; C510-D512 PolarHBondContact O-N 3.47Å; C510-D512 PolarHBondContact SG-N 2.81Å; C510-D512 PolarHBondContact SG-OD1 3.15Å; C510-D512 VanDerWaalsContact SG-OD1 3.4Å; D512-C514 PolarHBondContact O-N 3.41Å; D512-C514 PolarHBondContact O-SG 3.24Å; D512-C514 VanDerWaalsContact OD1-CB 3.26Å; D512-C514 WeakPolarHBondContact OD1-CB 3.32Å; D512-C514 PolarHBondContact OD1-N 2.87Å; D512-H516 IonicContact OD1-CD2 2.93Å; D512-H516 IonicContact OD1-NE2 3.54Å; D512-H516 PolarHBondContact OD1-NE2 3.13Å; D512-H516 VanDerWaalsContact OD1-NE2 3.17Å; D512-H516 IonicContact OD2-CE1 3.94Å; D512-H516 PolarHBondContact OD2-CE1 2.87Å; D512-H516 VanDerWaalsContact OD2-CE1 3.28Å; D512-H516 IonicContact OD2-NE2 3Å; D512-H516 PolarHBondContact OD2-NE2 2.95Å
513	H	97.2	Very high	96.8	Very high	79 Å²	79	37.4 Å²	37.4	37%	0.366	17%	0.174	S	C	.	.	S	Bend	trans	69.3	14.9	176.6	-41.5	-5.9	0	0	0	113.7	C510 A511 R534 K535 A536	C510-H513 PolarHBondContact O-N 3.29Å; A511-H513 PolarHBondContact O-CE1 3.25Å; A511-H513 VanDerWaalsContact O-CE1 3.26Å; A511-H513 PolarHBondContact O-N 3.24Å; A511-H513 VanDerWaalsContact O-N 3.13Å; A511-H513 PolarHBondContact O-ND1 2.84Å; H513-R534 PolarHBondContact CD2-O 2.79Å; H513-K535 WeakPolarHBondContact CA-O 3.37Å; H513-K535 VanDerWaalsContact CB-O 3.28Å; H513-K535 WeakPolarHBondContact CB-O 3.49Å; H513-K535 VanDerWaalsContact CG-C 3.45Å; H513-A536 PolarHBondContact ND1-N 3.13Å
514	C	96.9	Very high	96.5	Very high	14 Å²	14	41.3 Å²	41.3	10%	0.095	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	155.4	177.6	-52.8	0	0	0	0	111.9	C510 D512 V529 F530	C510-C514 PolarHBondContact N-O 2.95Å; C510-C514 VanDerWaalsContact N-O 3.14Å; D512-C514 PolarHBondContact O-N 3.41Å; D512-C514 PolarHBondContact O-SG 3.24Å; D512-C514 VanDerWaalsContact OD1-CB 3.26Å; D512-C514 WeakPolarHBondContact OD1-CB 3.32Å; D512-C514 PolarHBondContact OD1-N 2.87Å; C514-V529 HydrophobicContact CB-CG1 3.68Å; C514-F530 VanDerWaalsContact CA-O 3.3Å; C514-F530 WeakPolarHBondContact CA-O 3.43Å; C514-F530 WeakPolarHBondContact CB-O 3.13Å
515	V	98	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.2	159.8	178.9	0	0	0	0	107.4	A507 F508 F530 V537 A540 I548	A507-V515 HydrophobicContact CB-CG1 4.42Å; F508-V515 WeakPolarHBondContact O-CA 3.25Å; V515-F530 HydrophobicContact CB-CB 4.16Å; V515-F530 HydrophobicContact CB-CD2 3.91Å; V515-F530 HydrophobicContact CG1-CD2 3.95Å; V515-F530 PolarHBondContact N-O 2.84Å; V515-F530 WeakPolarHBondContact O-CD2 3.4Å; V515-F530 PolarHBondContact O-N 2.93Å; V515-V537 HydrophobicContact CG2-CG1 3.88Å; V515-V537 HydrophobicContact CG2-CG2 4.29Å; V515-A540 HydrophobicContact CG1-CB 4.42Å; V515-I548 HydrophobicContact CG1-CG2 4.48Å
516	H	97.7	Very high	96.1	Very high	8 Å²	8	44 Å²	44	4%	0.037	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	139.5	176.5	-64	-103.7	0	0	0	109.5	A507 F508 D512 Y518	A507-H516 CarbonylContact C-O 3.56Å; A507-H516 VanDerWaalsContact CA-O 3.3Å; A507-H516 WeakPolarHBondContact CA-O 3.35Å; F508-H516 HydrophobicContact CD1-CB 4.16Å; F508-H516 HydrophobicContact CD2-CB 4.03Å; F508-H516 HydrophobicContact CE1-CB 3.82Å; F508-H516 HydrophobicContact CE2-CB 3.64Å; F508-H516 AromaticContact CE2-CD2 3.76Å; F508-H516 AromaticContact CE2-CG 3.74Å; F508-H516 HydrophobicContact CG-CB 4.28Å; F508-H516 HydrophobicContact CZ-CB 3.54Å; F508-H516 AromaticContact CZ-CG 3.89Å; F508-H516 PolarHBondContact N-O 2.86Å; F508-H516 PolarHBondContact O-N 2.99Å; D512-H516 IonicContact OD1-CD2 2.93Å; D512-H516 IonicContact OD1-NE2 3.54Å; D512-H516 PolarHBondContact OD1-NE2 3.13Å; D512-H516 VanDerWaalsContact OD1-NE2 3.17Å; D512-H516 IonicContact OD2-CE1 3.94Å; D512-H516 PolarHBondContact OD2-CE1 2.87Å; D512-H516 VanDerWaalsContact OD2-CE1 3.28Å; D512-H516 IonicContact OD2-NE2 3Å; D512-H516 PolarHBondContact OD2-NE2 2.95Å; H516-Y518 HydrophobicContact CB-CD2 4.21Å; H516-Y518 HydrophobicContact CB-CE2 3.97Å
517	Y	98	Very high	96	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.02	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.9	179.3	-179.9	-116.6	0	0	0	110.1	H505 L506 A507 I527 M528 F542 I548 V562	H505-Y517 HydrophobicContact CB-CE2 3.86Å; H505-Y517 WeakPolarHBondContact CB-OH 3.48Å; H505-Y517 AromaticContact CG-CZ 3.94Å; H505-Y517 VanDerWaalsContact CG-OH 3.29Å; H505-Y517 AromaticContact ND1-CZ 3.99Å; H505-Y517 PolarHBondContact ND1-OH 2.83Å; L506-Y517 WeakPolarHBondContact O-CA 3.16Å; L506-Y517 WeakPolarHBondContact O-CD2 3.21Å; A507-Y517 HydrophobicContact CB-CD2 4.2Å; Y517-I527 HydrophobicContact CD1-CB 3.98Å; Y517-I527 HydrophobicContact CD1-CD1 3.91Å; Y517-I527 HydrophobicContact CD1-CG1 4.43Å; Y517-I527 HydrophobicContact CD1-CG2 4.39Å; Y517-I527 HydrophobicContact CE1-CB 4.47Å; Y517-I527 HydrophobicContact CE1-CD1 3.71Å; Y517-I527 PolarHBondContact O-N 2.87Å; Y517-M528 HydrophobicContact CD1-CB 4.49Å; Y517-M528 PolarHBondContact N-O 2.87Å; Y517-M528 PolarHBondContact O-N 2.79Å; Y517-F542 HydrophobicContact CD2-CZ 4.16Å; Y517-F542 HydrophobicContact CE2-CE1 4.01Å; Y517-F542 AromaticContact CE2-CZ 3.79Å; Y517-F542 HydrophobicContact CE2-CZ 3.79Å; Y517-I548 HydrophobicContact CD2-CD1 4.25Å; Y517-V562 HydrophobicContact CD1-CG1 4.06Å; Y517-V562 HydrophobicContact CE1-CB 4.48Å; Y517-V562 HydrophobicContact CE1-CG1 3.33Å; Y517-V562 HydrophobicContact CE1-CG2 4.4Å
518	Y	97.6	Very high	95.9	Very high	17 Å²	17	49.7 Å²	49.7	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.6	-168.1	-88.7	-94.2	0	0	0	112.4	I487 H505 L506 F508 H516 T523 Q525 P526	I487-Y518 HydrophobicContact CD1-CD1 4.19Å; I487-Y518 HydrophobicContact CD1-CG 4.08Å; I487-Y518 HydrophobicContact CG2-CD1 4.19Å; I487-Y518 HydrophobicContact CG2-CE1 3.74Å; I487-Y518 HydrophobicContact CG2-CE2 4.08Å; H505-Y518 WeakPolarHBondContact CA-O 3.36Å; L506-Y518 PolarHBondContact N-O 3.45Å; L506-Y518 VanDerWaalsContact N-O 3.09Å; L506-Y518 PolarHBondContact O-N 3.32Å; F508-Y518 HydrophobicContact CD1-CD2 4.25Å; F508-Y518 AromaticContact CE1-CD2 3.42Å; F508-Y518 HydrophobicContact CE1-CD2 3.42Å; F508-Y518 VanDerWaalsContact CE1-CD2 3.42Å; F508-Y518 AromaticContact CE1-CE2 3.46Å; F508-Y518 HydrophobicContact CE1-CE2 3.46Å; F508-Y518 VanDerWaalsContact CE1-CE2 3.46Å; F508-Y518 HydrophobicContact CE1-CG 4.47Å; F508-Y518 HydrophobicContact CZ-CD2 4.12Å; F508-Y518 AromaticContact CZ-CE2 3.67Å; F508-Y518 HydrophobicContact CZ-CE2 3.67Å; H516-Y518 HydrophobicContact CB-CD2 4.21Å; H516-Y518 HydrophobicContact CB-CE2 3.97Å; Y518-T523 WeakPolarHBondContact CE1-O 3.38Å; Y518-Q525 VanDerWaalsContact CE1-C 3.43Å; Y518-P526 HydrophobicContact CD2-CB 4.1Å; Y518-P526 HydrophobicContact CE1-CB 4.2Å; Y518-P526 HydrophobicContact CE2-CB 3.66Å
519	D	96.8	Very high	95.9	Very high	24 Å²	24	51.9 Å²	51.9	13%	0.128	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.5	160.7	-168.8	-27.1	0	0	0	108.3	Y504 R521 N522 I527	Y504-D519 CarbonylContact O-C 3.53Å; Y504-D519 WeakPolarHBondContact O-CA 3.48Å; D519-R521 PolarHBondContact O-N 3.26Å; D519-R521 VanDerWaalsContact O-N 3.13Å; D519-R521 WeakPolarHBondContact OD1-CB 3.14Å; D519-R521 VanDerWaalsContact OD1-CG 3.23Å; D519-R521 WeakPolarHBondContact OD1-CG 3.31Å; D519-R521 IonicContact OD1-CZ 2.68Å; D519-R521 PolarHBondContact OD1-N 2.84Å; D519-R521 IonicContact OD1-NE 3.14Å; D519-R521 PolarHBondContact OD1-NE 3.31Å; D519-R521 IonicContact OD2-CZ 3.6Å; D519-R521 IonicContact OD2-NE 3.6Å; D519-R521 PolarHBondContact OD2-NE 3.47Å; D519-R521 IonicContact OD2-NH2 2.72Å; D519-R521 PolarHBondContact OD2-NH2 3.02Å; D519-N522 CarbonylContact O-C 3.54Å; D519-N522 VanDerWaalsContact O-C 3.24Å; D519-N522 PolarHBondContact O-N 3.43Å; D519-I527 HydrophobicContact CB-CD1 3.84Å; D519-I527 HydrophobicContact CB-CG1 4.09Å
520	L	95.4	Very high	95.8	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.147	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.6	-180	-57.9	-176.8	0	0	0	112.9	L463 L475 I487 F498 Y504 L506 N522	L463-L520 HydrophobicContact CD2-CD1 3.98Å; L475-L520 HydrophobicContact CD1-CB 4.42Å; L475-L520 HydrophobicContact CD1-CD1 3.71Å; L475-L520 HydrophobicContact CD1-CD2 3.92Å; L475-L520 HydrophobicContact CD1-CG 4.2Å; L475-L520 HydrophobicContact CD2-CD1 4.47Å; L475-L520 HydrophobicContact CD2-CD2 4.47Å; I487-L520 HydrophobicContact CD1-CD2 3.96Å; F498-L520 HydrophobicContact CE1-CD1 3.62Å; F498-L520 HydrophobicContact CZ-CD1 4.3Å; Y504-L520 WeakPolarHBondContact O-CG 3.33Å; Y504-L520 PolarHBondContact O-N 3.14Å; L506-L520 HydrophobicContact CB-CD2 4.05Å; L506-L520 HydrophobicContact CB-CG 4.45Å; L506-L520 HydrophobicContact CD1-CD2 4.47Å; L520-N522 VanDerWaalsContact C-N 3.31Å
521	R	95.1	Very high	95.7	Very high	171 Å²	171	58.7 Å²	58.7	65%	0.645	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-21.2	171.9	-57.5	174.9	-66.1	177.3	1	112.8	Y504 D519	Y504-R521 HydrophobicContact CD1-CG 3.76Å; Y504-R521 HydrophobicContact CE1-CG 4.27Å; Y504-R521 HydrophobicContact CG-CG 4.03Å; D519-R521 PolarHBondContact O-N 3.26Å; D519-R521 VanDerWaalsContact O-N 3.13Å; D519-R521 WeakPolarHBondContact OD1-CB 3.14Å; D519-R521 VanDerWaalsContact OD1-CG 3.23Å; D519-R521 WeakPolarHBondContact OD1-CG 3.31Å; D519-R521 IonicContact OD1-CZ 2.68Å; D519-R521 PolarHBondContact OD1-N 2.84Å; D519-R521 IonicContact OD1-NE 3.14Å; D519-R521 PolarHBondContact OD1-NE 3.31Å; D519-R521 IonicContact OD2-CZ 3.6Å; D519-R521 IonicContact OD2-NE 3.6Å; D519-R521 PolarHBondContact OD2-NE 3.47Å; D519-R521 IonicContact OD2-NH2 2.72Å; D519-R521 PolarHBondContact OD2-NH2 3.02Å
522	N	93.7	Very high	95.6	Very high	85 Å²	85	59.2 Å²	59.2	46%	0.455	29%	0.294	S	S	.	.			trans	-143.1	83.5	176.4	-178.2	16.1	0	0	0	111.1	D519 L520 K524	D519-N522 CarbonylContact O-C 3.54Å; D519-N522 VanDerWaalsContact O-C 3.24Å; D519-N522 PolarHBondContact O-N 3.43Å; L520-N522 VanDerWaalsContact C-N 3.31Å; N522-K524 PolarHBondContact O-N 3.02Å; N522-K524 PolarHBondContact OD1-N 3.21Å
523	T	92	Very high	95.6	Very high	48 Å²	48	57.8 Å²	57.8	29%	0.294	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-4	-179.3	55.3	0	0	0	0	114.8	I487 Y518	I487-T523 HydrophobicContact CD1-CG2 4.18Å; I487-T523 HydrophobicContact CG1-CG2 3.78Å; Y518-T523 WeakPolarHBondContact CE1-O 3.38Å
524	K	90.1	Very high	95.5	Very high	185 Å²	185	60.6 Å²	60.6	80%	0.804	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-25.2	-176.7	-65	-174.1	178.7	-178.4	0	113.8	N522	N522-K524 PolarHBondContact O-N 3.02Å; N522-K524 PolarHBondContact OD1-N 3.21Å
525	Q	91.2	Very high	95.6	Very high	140 Å²	140	63.2 Å²	63.2	65%	0.654	30%	0.303	S	S	*	.	S	Bend	trans	-143.9	139.7	-178.4	-65	-174.9	1.9	0	0	110.2	Y518	Y518-Q525 VanDerWaalsContact CE1-C 3.43Å
526	P	95.5	Very high	95.4	Very high	48 Å²	48	64.6 Å²	64.6	31%	0.312	31%	0.314	S	S	.	.			trans	-66.8	146.7	171.3	28.2	-32.3	0	0	0	110	Y518 V529	Y518-P526 HydrophobicContact CD2-CB 4.1Å; Y518-P526 HydrophobicContact CE1-CB 4.2Å; Y518-P526 HydrophobicContact CE2-CB 3.66Å; P526-V529 HydrophobicContact CB-CG2 3.87Å; P526-V529 HydrophobicContact CG-CG2 3.52Å
527	I	95.9	Very high	95.5	Very high	80 Å²	80	64.2 Å²	64.2	41%	0.41	31%	0.313	S	S	.	.	S	Bend	trans	-66.1	-46.8	166.6	-48.5	175.6	0	0	0	108.6	Y517 D519	Y517-I527 HydrophobicContact CD1-CB 3.98Å; Y517-I527 HydrophobicContact CD1-CD1 3.91Å; Y517-I527 HydrophobicContact CD1-CG1 4.43Å; Y517-I527 HydrophobicContact CD1-CG2 4.39Å; Y517-I527 HydrophobicContact CE1-CB 4.47Å; Y517-I527 HydrophobicContact CE1-CD1 3.71Å; Y517-I527 PolarHBondContact O-N 2.87Å; D519-I527 HydrophobicContact CB-CD1 3.84Å; D519-I527 HydrophobicContact CB-CG1 4.09Å
528	M	96.4	Very high	95.4	Very high	41 Å²	41	64.1 Å²	64.1	20%	0.202	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	146.7	-178.2	-71.9	-65.7	-81	0	0	111.7	Y517 F530 P565	Y517-M528 HydrophobicContact CD1-CB 4.49Å; Y517-M528 PolarHBondContact N-O 2.87Å; Y517-M528 PolarHBondContact O-N 2.79Å; M528-F530 HydrophobicContact CB-CE1 4.13Å; M528-F530 HydrophobicContact CB-CE2 4.14Å; M528-F530 HydrophobicContact CB-CZ 3.8Å; M528-F530 HydrophobicContact CE-CE1 4.15Å; M528-F530 HydrophobicContact CG-CZ 4.39Å; M528-P565 VanDerWaalsContact CE-CA 3.45Å; M528-P565 HydrophobicContact CE-CB 3.76Å; M528-P565 HydrophobicContact CE-CG 4.43Å
529	V	96.6	Very high	95.5	Very high	46 Å²	46	65.1 Å²	65.1	28%	0.279	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	103.6	170.3	-176.5	0	0	0	0	107.8	C514 P526	C514-V529 HydrophobicContact CB-CG1 3.68Å; P526-V529 HydrophobicContact CB-CG2 3.87Å; P526-V529 HydrophobicContact CG-CG2 3.52Å
530	F	97.2	Very high	95.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.6	-177.4	-57.4	-72	0	0	0	110.2	C514 V515 M528 I548 W560 N561 K564	C514-F530 VanDerWaalsContact CA-O 3.3Å; C514-F530 WeakPolarHBondContact CA-O 3.43Å; C514-F530 WeakPolarHBondContact CB-O 3.13Å; V515-F530 HydrophobicContact CB-CB 4.16Å; V515-F530 HydrophobicContact CB-CD2 3.91Å; V515-F530 HydrophobicContact CG1-CD2 3.95Å; V515-F530 PolarHBondContact N-O 2.84Å; V515-F530 WeakPolarHBondContact O-CD2 3.4Å; V515-F530 PolarHBondContact O-N 2.93Å; M528-F530 HydrophobicContact CB-CE1 4.13Å; M528-F530 HydrophobicContact CB-CE2 4.14Å; M528-F530 HydrophobicContact CB-CZ 3.8Å; M528-F530 HydrophobicContact CE-CE1 4.15Å; M528-F530 HydrophobicContact CG-CZ 4.39Å; F530-I548 HydrophobicContact CE2-CD1 3.86Å; F530-I548 HydrophobicContact CZ-CD1 4.36Å; F530-W560 HydrophobicContact CB-CD2 3.79Å; F530-W560 HydrophobicContact CB-CE3 3.59Å; F530-W560 HydrophobicContact CB-CG 4.39Å; F530-W560 HydrophobicContact CB-CH2 4.21Å; F530-W560 HydrophobicContact CB-CZ2 4.4Å; F530-W560 HydrophobicContact CB-CZ3 3.8Å; F530-W560 HydrophobicContact CD1-CB 4.06Å; F530-W560 HydrophobicContact CD1-CD2 4.28Å; F530-W560 AromaticContact CD1-CE3 3.96Å; F530-W560 HydrophobicContact CD1-CE3 3.96Å; F530-W560 HydrophobicContact CD1-CG 4.35Å; F530-W560 HydrophobicContact CE1-CB 4.24Å; F530-W560 HydrophobicContact CG-CB 4.35Å; F530-W560 HydrophobicContact CG-CD2 4.13Å; F530-W560 HydrophobicContact CG-CE3 4.06Å; F530-W560 HydrophobicContact CG-CG 4.26Å; F530-N561 WeakPolarHBondContact CE1-O 3.15Å; F530-K564 VanDerWaalsContact CE1-O 3.31Å; F530-K564 WeakPolarHBondContact CE1-O 3.4Å
531	K	95.4	Very high	95.6	Very high	143 Å²	143	64.8 Å²	64.8	62%	0.622	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.3	-176.6	-66.1	-173.2	176.8	-178.2	0	111.2	W560	K531-W560 WeakPolarHBondContact O-CH2 3.41Å; K531-W560 WeakPolarHBondContact O-CZ3 3.46Å
532	G	93.7	Very high	95.7	Very high	39 Å²	39	57.7 Å²	57.7	40%	0.402	29%	0.287	S	S	.	.			trans	156.9	-11.6	170.1	0	0	0	0	0	116.9	K558	G532-K558 WeakPolarHBondContact O-CE 3.49Å
533	H	96.9	Very high	95.7	Very high	13 Å²	13	54.5 Å²	54.5	6%	0.06	27%	0.271	C	S	.	.			trans	-75.3	155.6	168.1	-76.4	-70.7	0	0	0	111.1	V537 S550 S552 D554 Q556 W560	H533-V537 HydrophobicContact CB-CG2 4.45Å; H533-S550 PolarHBondContact NE2-OG 3.38Å; H533-S552 WeakPolarHBondContact ND1-CB 3.45Å; H533-D554 IonicContact CE1-OD1 3.58Å; H533-D554 IonicContact ND1-OD1 3.49Å; H533-D554 PolarHBondContact ND1-OD1 2.71Å; H533-D554 VanDerWaalsContact ND1-OD1 3.09Å; H533-D554 IonicContact ND1-OD2 2.65Å; H533-Q556 PolarHBondContact CE1-O 2.91Å; H533-W560 AromaticContact CD2-CZ2 3.97Å
534	R	96.3	Very high	95.7	Very high	137 Å²	137	54.1 Å²	54.1	52%	0.517	27%	0.27	S	S	.	.	S	Bend	trans	-103	-5.8	179.2	-62.7	-178.7	-49.5	-51.5	-6.8	114.1	H513 D554	H513-R534 PolarHBondContact CD2-O 2.79Å; R534-D554 HydrophobicContact CB-CB 4.18Å; R534-D554 IonicContact CZ-OD2 3.52Å; R534-D554 PolarHBondContact N-OD2 2.6Å; R534-D554 IonicContact NH1-OD2 3.34Å; R534-D554 PolarHBondContact NH1-OD2 3.35Å; R534-D554 PolarHBondContact NH2-O 3.41Å; R534-D554 IonicContact NH2-OD2 3.87Å
535	K	97.3	Very high	95.8	Very high	69 Å²	69	45.9 Å²	45.9	30%	0.3	24%	0.238	S	C	.	.	S	Bend	trans	-139.7	178.7	175	-59.9	-164	-154.1	152.3	0	109.7	H513 S552 T553 D554 E577	H513-K535 WeakPolarHBondContact CA-O 3.37Å; H513-K535 VanDerWaalsContact CB-O 3.28Å; H513-K535 WeakPolarHBondContact CB-O 3.49Å; H513-K535 VanDerWaalsContact CG-C 3.45Å; K535-S552 VanDerWaalsContact C-OG 3.3Å; K535-S552 PolarHBondContact O-OG 3.44Å; K535-T553 WeakPolarHBondContact CB-OG1 3.28Å; K535-T553 WeakPolarHBondContact CD-O 3.34Å; K535-T553 WeakPolarHBondContact CE-O 3.37Å; K535-T553 PolarHBondContact NZ-O 2.99Å; K535-D554 HydrophobicContact CB-CB 4.34Å; K535-D554 HydrophobicContact CG-CB 4.18Å; K535-E577 PolarHBondContact NZ-O 3.13Å; K535-E577 IonicContact NZ-OE2 3.18Å; K535-E577 PolarHBondContact NZ-OE2 3.21Å
536	A	95.6	Very high	95.9	Very high	30 Å²	30	44.8 Å²	44.8	25%	0.248	23%	0.233	C	C	.	.			trans	-50.8	140.1	177	0	0	0	0	0	112.2	A511 H513 S538 S552	A511-A536 HydrophobicContact CB-CB 4.3Å; H513-A536 PolarHBondContact ND1-N 3.13Å; A536-S538 PolarHBondContact O-N 3Å; A536-S552 WeakPolarHBondContact O-CA 3.3Å; A536-S552 WeakPolarHBondContact O-CB 3.2Å; A536-S552 PolarHBondContact O-OG 3.3Å
537	V	98.1	Very high	95.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	107.2	176.6	-179.2	0	0	0	0	108.7	C494 C510 V515 H533 Y539 A551	C494-V537 WeakPolarHBondContact CB-O 3.31Å; C510-V537 PolarHBondContact O-N 2.8Å; V515-V537 HydrophobicContact CG2-CG1 3.88Å; V515-V537 HydrophobicContact CG2-CG2 4.29Å; H533-V537 HydrophobicContact CB-CG2 4.45Å; V537-Y539 WeakPolarHBondContact CG1-O 3.29Å; V537-A551 CarbonylContact C-O 3.49Å; V537-A551 WeakPolarHBondContact CG1-O 3.22Å
538	S	97.2	Very high	96	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-36.7	-174.7	50.3	0	0	0	0	112.9	A536 A551	A536-S538 PolarHBondContact O-N 3Å; S538-A551 PolarHBondContact N-O 2.92Å; S538-A551 PolarHBondContact OG-O 3.21Å
539	Y	98.3	Very high	96.1	Very high	39 Å²	39	38.1 Å²	38.1	15%	0.153	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.1	177.3	-64	-87.7	0	0	0	111.7	C495 V537 S550 A551 F580 G582 L583	C495-Y539 WeakPolarHBondContact SG-CA 3.45Å; V537-Y539 WeakPolarHBondContact CG1-O 3.29Å; Y539-S550 CarbonylContact O-C 3.43Å; Y539-S550 WeakPolarHBondContact O-CA 3.33Å; Y539-S550 WeakPolarHBondContact O-CB 3.29Å; Y539-A551 HydrophobicContact CD2-CB 4.4Å; Y539-A551 PolarHBondContact N-O 2.94Å; Y539-A551 PolarHBondContact O-N 2.99Å; Y539-F580 HydrophobicContact CE2-CB 4.08Å; Y539-F580 AromaticContact CE2-CD1 3.9Å; Y539-F580 HydrophobicContact CE2-CD1 3.9Å; Y539-G582 VanDerWaalsContact CE2-N 3.26Å; Y539-G582 PolarHBondContact OH-N 3.32Å; Y539-L583 HydrophobicContact CD2-CB 4.28Å; Y539-L583 HydrophobicContact CG-CB 3.9Å
540	A	98.1	Very high	96.2	Very high	4 Å²	4	36 Å²	36	3%	0.033	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128	167.2	0	0	0	0	0	108	C495 V515 V549	C495-A540 PolarHBondContact SG-N 3.43Å; V515-A540 HydrophobicContact CG1-CB 4.42Å; A540-V549 WeakPolarHBondContact CA-O 3.4Å
541	K	97.4	Very high	96.3	Very high	41 Å²	41	36 Å²	36	18%	0.178	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.9	176.4	-62.8	-77.6	-162.1	169.2	0	108.2	E363 K497 V549 L583	E363-K541 IonicContact OE1-NZ 2.63Å; E363-K541 PolarHBondContact OE1-NZ 2.92Å; K497-K541 HydrophobicContact CD-CD 4.47Å; K497-K541 HydrophobicContact CG-CD 3.95Å; K541-V549 HydrophobicContact CB-CG1 4.32Å; K541-V549 PolarHBondContact N-O 3.35Å; K541-V549 WeakPolarHBondContact O-CG1 3.29Å; K541-V549 PolarHBondContact O-N 3.31Å; K541-L583 WeakPolarHBondContact CE-O 3.19Å; K541-L583 HydrophobicContact CG-CD2 4.49Å
542	F	96.7	Very high	96.4	Very high	21 Å²	21	29.1 Å²	29.1	9%	0.092	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.7	171.1	-74.2	-92.1	0	0	0	109.7	K497 F498 P500 A507 Y517 S544 I548	K497-F542 HydrophobicContact CB-CD2 4.24Å; K497-F542 HydrophobicContact CB-CE2 4.34Å; F498-F542 WeakPolarHBondContact O-CD2 3.48Å; F498-F542 WeakPolarHBondContact O-CE2 3.25Å; P500-F542 HydrophobicContact CG-CB 4.09Å; A507-F542 HydrophobicContact CB-CE2 3.66Å; A507-F542 HydrophobicContact CB-CZ 3.63Å; Y517-F542 HydrophobicContact CD2-CZ 4.16Å; Y517-F542 HydrophobicContact CE2-CE1 4.01Å; Y517-F542 AromaticContact CE2-CZ 3.79Å; Y517-F542 HydrophobicContact CE2-CZ 3.79Å; F542-S544 WeakPolarHBondContact CD1-O 3.3Å; F542-I548 HydrophobicContact CD1-CD1 4.4Å; F542-I548 HydrophobicContact CD1-CG1 3.65Å; F542-I548 HydrophobicContact CE1-CD1 3.76Å; F542-I548 HydrophobicContact CE1-CG1 3.53Å; F542-I548 HydrophobicContact CG-CG1 4.37Å; F542-I548 HydrophobicContact CZ-CD1 4.06Å; F542-I548 HydrophobicContact CZ-CG1 4.13Å
543	V	94.3	Very high	96.5	Very high	19 Å²	19	28.3 Å²	28.3	12%	0.115	14%	0.14	C	C	.	.	S	Bend	trans	-87.7	-37.2	169.4	-177	0	0	0	0	109.2	E547 V549 L559 G587 K604	V543-E547 HydrophobicContact CB-CB 3.99Å; V543-E547 PolarHBondContact N-O 3.14Å; V543-V549 HydrophobicContact CG2-CB 3.72Å; V543-V549 HydrophobicContact CG2-CG1 3.58Å; V543-L559 HydrophobicContact CG2-CD1 3.98Å; V543-G587 VanDerWaalsContact CG1-O 3.23Å; V543-G587 WeakPolarHBondContact CG1-O 3.42Å; V543-K604 HydrophobicContact CG1-CD 3.88Å
544	S	92.4	Very high	96.4	Very high	39 Å²	39	27.8 Å²	27.8	27%	0.273	14%	0.137	S	C	.	.	S	Bend	trans	-151.5	-176.6	172.5	67.7	0	0	0	0	109.1	F542 E546 E547	F542-S544 WeakPolarHBondContact CD1-O 3.3Å; S544-E546 PolarHBondContact O-N 3.35Å; S544-E546 PolarHBondContact OG-N 2.89Å; S544-E547 PolarHBondContact N-O 2.98Å; S544-E547 WeakPolarHBondContact OG-CB 3.44Å; S544-E547 PolarHBondContact OG-N 2.97Å
545	G	91.6	Very high	96.4	Very high	13 Å²	13	22.4 Å²	22.4	13%	0.134	12%	0.12	C	C	.	.	S	Bend	trans	-59.5	-27	171.1	0	0	0	0	0	114	S501	S501-G545 VanDerWaalsContact OG-CA 3.24Å; S501-G545 WeakPolarHBondContact OG-CA 3.37Å
546	E	93.1	Very high	96.4	Very high	116 Å²	116	20.3 Å²	20.3	54%	0.542	11%	0.112	S	C	.	.	S	Bend	trans	-102.7	-13.3	-174.1	-65.7	-57.6	134.9	0	0	113.9	S544 N561 V562	S544-E546 PolarHBondContact O-N 3.35Å; S544-E546 PolarHBondContact OG-N 2.89Å; E546-N561 CarbonylContact O-C 3.53Å; E546-N561 VanDerWaalsContact O-CA 3.3Å; E546-N561 WeakPolarHBondContact O-CA 3.48Å; E546-N561 PolarHBondContact O-ND2 2.98Å; E546-V562 PolarHBondContact O-N 2.65Å
547	E	96.3	Very high	96.5	Very high	30 Å²	30	18.9 Å²	18.9	14%	0.14	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.4	-171.9	-66.9	-179	126.3	0	0	112	V543 S544 L559 W560 K604	V543-E547 HydrophobicContact CB-CB 3.99Å; V543-E547 PolarHBondContact N-O 3.14Å; S544-E547 PolarHBondContact N-O 2.98Å; S544-E547 WeakPolarHBondContact OG-CB 3.44Å; S544-E547 PolarHBondContact OG-N 2.97Å; E547-L559 HydrophobicContact CB-CD1 4.29Å; E547-W560 VanDerWaalsContact CA-O 3.31Å; E547-W560 WeakPolarHBondContact CA-O 3.46Å; E547-K604 WeakPolarHBondContact OE2-CE 3.33Å; E547-K604 IonicContact OE2-NZ 2.96Å; E547-K604 PolarHBondContact OE2-NZ 3.41Å
548	I	97.9	Very high	96.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.7	175.7	-62.1	166.1	0	0	0	108.1	A507 V515 Y517 F530 F542 W560 V562	A507-I548 HydrophobicContact CB-CD1 4.06Å; V515-I548 HydrophobicContact CG1-CG2 4.48Å; Y517-I548 HydrophobicContact CD2-CD1 4.25Å; F530-I548 HydrophobicContact CE2-CD1 3.86Å; F530-I548 HydrophobicContact CZ-CD1 4.36Å; F542-I548 HydrophobicContact CD1-CD1 4.4Å; F542-I548 HydrophobicContact CD1-CG1 3.65Å; F542-I548 HydrophobicContact CE1-CD1 3.76Å; F542-I548 HydrophobicContact CE1-CG1 3.53Å; F542-I548 HydrophobicContact CG-CG1 4.37Å; F542-I548 HydrophobicContact CZ-CD1 4.06Å; F542-I548 HydrophobicContact CZ-CG1 4.13Å; I548-W560 HydrophobicContact CB-CB 4.43Å; I548-W560 PolarHBondContact N-O 3.06Å; I548-W560 PolarHBondContact O-N 3.19Å; I548-V562 HydrophobicContact CD1-CG2 4.24Å
549	V	98.3	Very high	96.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.9	166.3	61.3	0	0	0	0	109.7	A540 K541 V543 K558 L583 I590	A540-V549 WeakPolarHBondContact CA-O 3.4Å; K541-V549 HydrophobicContact CB-CG1 4.32Å; K541-V549 PolarHBondContact N-O 3.35Å; K541-V549 WeakPolarHBondContact O-CG1 3.29Å; K541-V549 PolarHBondContact O-N 3.31Å; V543-V549 HydrophobicContact CG2-CB 3.72Å; V543-V549 HydrophobicContact CG2-CG1 3.58Å; V549-K558 WeakPolarHBondContact CA-O 3.39Å; V549-L583 HydrophobicContact CG1-CD2 4.17Å; V549-L583 HydrophobicContact CG2-CD1 4.36Å; V549-L583 HydrophobicContact CG2-CD2 4.37Å; V549-I590 HydrophobicContact CB-CD1 4.35Å; V549-I590 HydrophobicContact CG2-CD1 3.99Å; V549-I590 HydrophobicContact CG2-CG1 4.42Å; V549-I590 HydrophobicContact CG2-CG2 4.02Å
550	S	98.3	Very high	96.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.8	173.6	63.4	0	0	0	0	112.7	H533 Y539 L557 K558 W560	H533-S550 PolarHBondContact NE2-OG 3.38Å; Y539-S550 CarbonylContact O-C 3.43Å; Y539-S550 WeakPolarHBondContact O-CA 3.33Å; Y539-S550 WeakPolarHBondContact O-CB 3.29Å; S550-L557 CarbonylContact O-C 3.58Å; S550-L557 WeakPolarHBondContact O-CA 3.16Å; S550-K558 PolarHBondContact N-O 2.95Å; S550-K558 PolarHBondContact O-N 2.9Å; S550-W560 PolarHBondContact OG-NE1 3.14Å
551	A	98.3	Very high	96.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146	169.3	0	0	0	0	0	109.6	V537 S538 Y539 L557 L583	V537-A551 CarbonylContact C-O 3.49Å; V537-A551 WeakPolarHBondContact CG1-O 3.22Å; S538-A551 PolarHBondContact N-O 2.92Å; S538-A551 PolarHBondContact OG-O 3.21Å; Y539-A551 HydrophobicContact CD2-CB 4.4Å; Y539-A551 PolarHBondContact N-O 2.94Å; Y539-A551 PolarHBondContact O-N 2.99Å; A551-L557 HydrophobicContact CB-CD2 3.4Å; A551-L583 HydrophobicContact CB-CB 4.4Å; A551-L583 HydrophobicContact CB-CD2 4.04Å
552	S	97.7	Very high	96.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	161.9	170.4	177.8	0	0	0	0	109.3	H533 K535 A536 D554 Q556 N576	H533-S552 WeakPolarHBondContact ND1-CB 3.45Å; K535-S552 VanDerWaalsContact C-OG 3.3Å; K535-S552 PolarHBondContact O-OG 3.44Å; A536-S552 WeakPolarHBondContact O-CA 3.3Å; A536-S552 WeakPolarHBondContact O-CB 3.2Å; A536-S552 PolarHBondContact O-OG 3.3Å; S552-D554 WeakPolarHBondContact CB-OD1 3.24Å; S552-D554 PolarHBondContact O-N 3.43Å; S552-Q556 PolarHBondContact N-O 2.8Å; S552-N576 PolarHBondContact O-ND2 3.3Å
553	T	96.3	Very high	95.9	Very high	22 Å²	22	20.1 Å²	20.1	14%	0.135	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	27.4	173.3	50.5	0	0	0	0	112.8	K535 N576 E577	K535-T553 WeakPolarHBondContact CB-OG1 3.28Å; K535-T553 WeakPolarHBondContact CD-O 3.34Å; K535-T553 WeakPolarHBondContact CE-O 3.37Å; K535-T553 PolarHBondContact NZ-O 2.99Å; T553-N576 CarbonylContact C-O 3.55Å; T553-N576 WeakPolarHBondContact CA-O 3.42Å; T553-N576 VanDerWaalsContact O-O 3.12Å; T553-E577 CarbonylContact O-C 2.93Å; T553-E577 WeakPolarHBondContact O-CA 3.5Å
554	D	96	Very high	95.7	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.011	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	23.5	177.7	79.2	-23.5	0	0	0	113	H533 R534 K535 S552 Q556 N576	H533-D554 IonicContact CE1-OD1 3.58Å; H533-D554 IonicContact ND1-OD1 3.49Å; H533-D554 PolarHBondContact ND1-OD1 2.71Å; H533-D554 VanDerWaalsContact ND1-OD1 3.09Å; H533-D554 IonicContact ND1-OD2 2.65Å; R534-D554 HydrophobicContact CB-CB 4.18Å; R534-D554 IonicContact CZ-OD2 3.52Å; R534-D554 PolarHBondContact N-OD2 2.6Å; R534-D554 IonicContact NH1-OD2 3.34Å; R534-D554 PolarHBondContact NH1-OD2 3.35Å; R534-D554 PolarHBondContact NH2-O 3.41Å; R534-D554 IonicContact NH2-OD2 3.87Å; K535-D554 HydrophobicContact CB-CB 4.34Å; K535-D554 HydrophobicContact CG-CB 4.18Å; S552-D554 WeakPolarHBondContact CB-OD1 3.24Å; S552-D554 PolarHBondContact O-N 3.43Å; D554-Q556 PolarHBondContact O-N 2.87Å; D554-Q556 WeakPolarHBondContact OD1-CB 3.29Å; D554-Q556 PolarHBondContact OD1-N 2.89Å; D554-N576 PolarHBondContact N-O 2.96Å
555	S	96.3	Very high	95.4	Very high	23 Å²	23	25.8 Å²	25.8	16%	0.161	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	38.2	-171.9	-59.8	0	0	0	0	114.2	N576 E577	S555-N576 PolarHBondContact N-O 2.88Å; S555-N576 PolarHBondContact OG-N 3.44Å; S555-N576 PolarHBondContact OG-O 2.76Å; S555-E577 VanDerWaalsContact CB-OE1 3.29Å; S555-E577 WeakPolarHBondContact CB-OE1 3.36Å; S555-E577 PolarHBondContact N-OE1 2.83Å; S555-E577 PolarHBondContact OG-OE1 2.8Å
556	Q	96.2	Very high	95.1	Very high	25 Å²	25	33.7 Å²	33.7	12%	0.117	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.1	175	-62.3	179.2	20.4	0	0	111.6	H533 S552 D554 K558 K572	H533-Q556 PolarHBondContact CE1-O 2.91Å; S552-Q556 PolarHBondContact N-O 2.8Å; D554-Q556 PolarHBondContact O-N 2.87Å; D554-Q556 WeakPolarHBondContact OD1-CB 3.29Å; D554-Q556 PolarHBondContact OD1-N 2.89Å; Q556-K558 VanDerWaalsContact OE1-CE 3.32Å; Q556-K572 HydrophobicContact CG-CG 4.37Å
557	L	98.1	Very high	95.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	148.3	154.2	-50.4	-177	0	0	0	108.7	S550 A551 S570 F571 L583 I590 C592 Y602	S550-L557 CarbonylContact O-C 3.58Å; S550-L557 WeakPolarHBondContact O-CA 3.16Å; A551-L557 HydrophobicContact CB-CD2 3.4Å; L557-S570 CarbonylContact O-C 3.55Å; L557-S570 VanDerWaalsContact O-CA 3.29Å; L557-S570 WeakPolarHBondContact O-CA 3.41Å; L557-F571 HydrophobicContact CB-CB 4.11Å; L557-F571 HydrophobicContact CB-CD2 3.76Å; L557-F571 HydrophobicContact CB-CG 4.36Å; L557-F571 PolarHBondContact N-O 3.4Å; L557-F571 PolarHBondContact O-N 2.82Å; L557-L583 HydrophobicContact CD1-CD1 3.97Å; L557-L583 HydrophobicContact CD2-CD1 4.01Å; L557-I590 HydrophobicContact CD1-CG2 3.68Å; L557-C592 HydrophobicContact CD1-CB 4.03Å; L557-C592 HydrophobicContact CD2-CB 4.24Å; L557-Y602 HydrophobicContact CD1-CD2 4.08Å; L557-Y602 HydrophobicContact CD1-CE2 4.2Å
558	K	97.9	Very high	94.9	Very high	13 Å²	13	32.2 Å²	32.2	6%	0.057	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.1	174.6	-70.7	-179	-173.7	-72.9	0	111.1	G532 V549 S550 Q556 W560 C567 R569 S570	G532-K558 WeakPolarHBondContact O-CE 3.49Å; V549-K558 WeakPolarHBondContact CA-O 3.39Å; S550-K558 PolarHBondContact N-O 2.95Å; S550-K558 PolarHBondContact O-N 2.9Å; Q556-K558 VanDerWaalsContact OE1-CE 3.32Å; K558-W560 HydrophobicContact CB-CD2 4.48Å; K558-W560 HydrophobicContact CB-CH2 4.38Å; K558-W560 HydrophobicContact CB-CZ2 3.54Å; K558-W560 HydrophobicContact CD-CH2 3.72Å; K558-W560 HydrophobicContact CD-CZ2 3.5Å; K558-W560 HydrophobicContact CG-CZ2 4.13Å; K558-W560 PolarHBondContact O-NE1 3.23Å; K558-C567 HydrophobicContact CB-CB 4.08Å; K558-C567 HydrophobicContact CD-CB 4.21Å; K558-C567 HydrophobicContact CG-CB 4.31Å; K558-R569 WeakPolarHBondContact CA-O 3.42Å; K558-S570 PolarHBondContact NZ-OG 3.17Å
559	L	97.8	Very high	94.6	Very high	3 Å²	3	35 Å²	35	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	132.4	169.4	-170.4	68.2	0	0	0	108.8	V543 E547 C567 L568 R569 F571 K604	V543-L559 HydrophobicContact CG2-CD1 3.98Å; E547-L559 HydrophobicContact CB-CD1 4.29Å; L559-C567 CarbonylContact O-C 3.6Å; L559-C567 VanDerWaalsContact O-CA 3.27Å; L559-C567 WeakPolarHBondContact O-CA 3.22Å; L559-C567 WeakPolarHBondContact O-CB 2.98Å; L559-L568 HydrophobicContact CB-CB 4.45Å; L559-L568 HydrophobicContact CD2-CB 4.36Å; L559-L568 HydrophobicContact CD2-CD1 4.01Å; L559-L568 HydrophobicContact CG-CB 4.45Å; L559-L568 HydrophobicContact CG-CD1 4.14Å; L559-L568 PolarHBondContact O-N 2.8Å; L559-R569 HydrophobicContact CB-CB 4.29Å; L559-R569 PolarHBondContact N-O 3.27Å; L559-F571 HydrophobicContact CB-CE2 3.85Å; L559-F571 HydrophobicContact CB-CZ 4.12Å; L559-K604 HydrophobicContact CD2-CB 4.33Å
560	W	97.5	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.1	179.1	-44.7	90.9	0	0	0	109.1	F530 K531 H533 E547 I548 S550 K558 C567	F530-W560 HydrophobicContact CB-CD2 3.79Å; F530-W560 HydrophobicContact CB-CE3 3.59Å; F530-W560 HydrophobicContact CB-CG 4.39Å; F530-W560 HydrophobicContact CB-CH2 4.21Å; F530-W560 HydrophobicContact CB-CZ2 4.4Å; F530-W560 HydrophobicContact CB-CZ3 3.8Å; F530-W560 HydrophobicContact CD1-CB 4.06Å; F530-W560 HydrophobicContact CD1-CD2 4.28Å; F530-W560 AromaticContact CD1-CE3 3.96Å; F530-W560 HydrophobicContact CD1-CE3 3.96Å; F530-W560 HydrophobicContact CD1-CG 4.35Å; F530-W560 HydrophobicContact CE1-CB 4.24Å; F530-W560 HydrophobicContact CG-CB 4.35Å; F530-W560 HydrophobicContact CG-CD2 4.13Å; F530-W560 HydrophobicContact CG-CE3 4.06Å; F530-W560 HydrophobicContact CG-CG 4.26Å; K531-W560 WeakPolarHBondContact O-CH2 3.41Å; K531-W560 WeakPolarHBondContact O-CZ3 3.46Å; H533-W560 AromaticContact CD2-CZ2 3.97Å; E547-W560 VanDerWaalsContact CA-O 3.31Å; E547-W560 WeakPolarHBondContact CA-O 3.46Å; I548-W560 HydrophobicContact CB-CB 4.43Å; I548-W560 PolarHBondContact N-O 3.06Å; I548-W560 PolarHBondContact O-N 3.19Å; S550-W560 PolarHBondContact OG-NE1 3.14Å; K558-W560 HydrophobicContact CB-CD2 4.48Å; K558-W560 HydrophobicContact CB-CH2 4.38Å; K558-W560 HydrophobicContact CB-CZ2 3.54Å; K558-W560 HydrophobicContact CD-CH2 3.72Å; K558-W560 HydrophobicContact CD-CZ2 3.5Å; K558-W560 HydrophobicContact CG-CZ2 4.13Å; K558-W560 PolarHBondContact O-NE1 3.23Å; W560-C567 HydrophobicContact CD2-CB 4.03Å; W560-C567 VanDerWaalsContact CE3-CA 3.41Å; W560-C567 HydrophobicContact CE3-CB 3.59Å; W560-C567 VanDerWaalsContact CE3-N 3.34Å; W560-C567 HydrophobicContact CH2-CB 3.94Å; W560-C567 HydrophobicContact CZ2-CB 4.33Å; W560-C567 HydrophobicContact CZ3-CB 3.56Å; W560-C567 VanDerWaalsContact CZ3-N 3.3Å
561	N	95.6	Very high	94.4	Very high	34 Å²	34	36.4 Å²	36.4	18%	0.182	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.1	165.6	171	-106	0	0	0	108.8	F530 E546 G563 K564 L568	F530-N561 WeakPolarHBondContact CE1-O 3.15Å; E546-N561 CarbonylContact O-C 3.53Å; E546-N561 VanDerWaalsContact O-CA 3.3Å; E546-N561 WeakPolarHBondContact O-CA 3.48Å; E546-N561 PolarHBondContact O-ND2 2.98Å; N561-G563 PolarHBondContact O-N 2.73Å; N561-G563 VanDerWaalsContact O-N 3.13Å; N561-G563 WeakPolarHBondContact OD1-CA 3.39Å; N561-G563 PolarHBondContact OD1-N 2.89Å; N561-G563 VanDerWaalsContact OD1-N 3.08Å; N561-K564 HydrophobicContact CB-CB 4.37Å; N561-K564 HydrophobicContact CB-CG 4.45Å; N561-K564 PolarHBondContact O-N 2.69Å; N561-K564 VanDerWaalsContact O-O 3.11Å; N561-L568 HydrophobicContact CB-CD1 3.89Å; N561-L568 HydrophobicContact CB-CD2 4.31Å; N561-L568 HydrophobicContact CB-CG 4.15Å
562	V	93.9	Very high	94.2	Very high	22 Å²	22	42.4 Å²	42.4	13%	0.133	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.8	-177.2	170.2	0	0	0	0	112.5	Y517 E546 I548	Y517-V562 HydrophobicContact CD1-CG1 4.06Å; Y517-V562 HydrophobicContact CE1-CB 4.48Å; Y517-V562 HydrophobicContact CE1-CG1 3.33Å; Y517-V562 HydrophobicContact CE1-CG2 4.4Å; E546-V562 PolarHBondContact O-N 2.65Å; I548-V562 HydrophobicContact CD1-CG2 4.24Å
563	G	90.4	Very high	94	Very high	61 Å²	61	44.6 Å²	44.6	63%	0.629	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	2.1	177.3	0	0	0	0	0	116.5	N561	N561-G563 PolarHBondContact O-N 2.73Å; N561-G563 VanDerWaalsContact O-N 3.13Å; N561-G563 WeakPolarHBondContact OD1-CA 3.39Å; N561-G563 PolarHBondContact OD1-N 2.89Å; N561-G563 VanDerWaalsContact OD1-N 3.08Å
564	K	89.8	Confident	93.9	Very high	116 Å²	116	43.9 Å²	43.9	50%	0.504	24%	0.241	S	C	.	.			trans	-130.2	128	-175.3	-64.3	-176.6	-176.8	179	0	112.5	F530 N561 Y566 L568	F530-K564 VanDerWaalsContact CE1-O 3.31Å; F530-K564 WeakPolarHBondContact CE1-O 3.4Å; N561-K564 HydrophobicContact CB-CB 4.37Å; N561-K564 HydrophobicContact CB-CG 4.45Å; N561-K564 PolarHBondContact O-N 2.69Å; N561-K564 VanDerWaalsContact O-O 3.11Å; K564-Y566 VanDerWaalsContact C-N 3.28Å; K564-Y566 PolarHBondContact O-N 2.83Å; K564-L568 HydrophobicContact CD-CD2 4.17Å
565	P	85.6	Confident	93.9	Very high	60 Å²	60	47.6 Å²	47.6	39%	0.39	26%	0.26	S	S	.	.	S	Bend	trans	-73.2	-15.7	-175.5	28.2	-34.6	0	0	0	114.8	M528	M528-P565 VanDerWaalsContact CE-CA 3.45Å; M528-P565 HydrophobicContact CE-CB 3.76Å; M528-P565 HydrophobicContact CE-CG 4.43Å
566	Y	85.7	Confident	93.9	Very high	179 Å²	179	46.5 Å²	46.5	70%	0.702	25%	0.253	S	S	*	.	S	Bend	trans	-108.7	150.1	-178	-53.3	-62.8	0	0	0	111.1	K564 L568	K564-Y566 VanDerWaalsContact C-N 3.28Å; K564-Y566 PolarHBondContact O-N 2.83Å; Y566-L568 PolarHBondContact O-N 2.88Å
567	C	93.6	Very high	93.8	Very high	42 Å²	42	49.4 Å²	49.4	28%	0.284	27%	0.266	S	S	.	.			trans	-65.2	134.8	179.5	59.4	0	0	0	0	111.5	K558 L559 W560	K558-C567 HydrophobicContact CB-CB 4.08Å; K558-C567 HydrophobicContact CD-CB 4.21Å; K558-C567 HydrophobicContact CG-CB 4.31Å; L559-C567 CarbonylContact O-C 3.6Å; L559-C567 VanDerWaalsContact O-CA 3.27Å; L559-C567 WeakPolarHBondContact O-CA 3.22Å; L559-C567 WeakPolarHBondContact O-CB 2.98Å; W560-C567 HydrophobicContact CD2-CB 4.03Å; W560-C567 VanDerWaalsContact CE3-CA 3.41Å; W560-C567 HydrophobicContact CE3-CB 3.59Å; W560-C567 VanDerWaalsContact CE3-N 3.34Å; W560-C567 HydrophobicContact CH2-CB 3.94Å; W560-C567 HydrophobicContact CZ2-CB 4.33Å; W560-C567 HydrophobicContact CZ3-CB 3.56Å; W560-C567 VanDerWaalsContact CZ3-N 3.3Å
568	L	91.6	Very high	93.6	Very high	73 Å²	73	56.9 Å²	56.9	38%	0.382	30%	0.299	S	S	.	.	S	Bend	trans	-63.9	-41.7	171.7	-68.3	175.3	0	0	0	111.6	L559 N561 K564 Y566	L559-L568 HydrophobicContact CB-CB 4.45Å; L559-L568 HydrophobicContact CD2-CB 4.36Å; L559-L568 HydrophobicContact CD2-CD1 4.01Å; L559-L568 HydrophobicContact CG-CB 4.45Å; L559-L568 HydrophobicContact CG-CD1 4.14Å; L559-L568 PolarHBondContact O-N 2.8Å; N561-L568 HydrophobicContact CB-CD1 3.89Å; N561-L568 HydrophobicContact CB-CD2 4.31Å; N561-L568 HydrophobicContact CB-CG 4.15Å; K564-L568 HydrophobicContact CD-CD2 4.17Å; Y566-L568 PolarHBondContact O-N 2.88Å
569	R	92.6	Very high	93.4	Very high	59 Å²	59	58.2 Å²	58.2	22%	0.223	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152.5	-173.6	-174.7	166.9	-76.2	110	2.4	110.5	K558 L559 F571 K604 G605 S607	K558-R569 WeakPolarHBondContact CA-O 3.42Å; L559-R569 HydrophobicContact CB-CB 4.29Å; L559-R569 PolarHBondContact N-O 3.27Å; R569-F571 HydrophobicContact CG-CE1 4.25Å; R569-F571 HydrophobicContact CG-CZ 4.3Å; R569-K604 PolarHBondContact NH1-O 3.12Å; R569-G605 VanDerWaalsContact CZ-C 3.45Å; R569-G605 PolarHBondContact NE-O 3.02Å; R569-G605 PolarHBondContact NH1-O 2.9Å; R569-G605 PolarHBondContact NH2-O 2.6Å; R569-G605 VanDerWaalsContact NH2-O 3.1Å; R569-S607 WeakPolarHBondContact CD-OG 3.41Å; R569-S607 WeakPolarHBondContact CG-OG 3.33Å
570	S	95.6	Very high	93.3	Very high	30 Å²	30	61.2 Å²	61.2	21%	0.21	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.2	170.2	-59.5	0	0	0	0	109.6	L557 K558	L557-S570 CarbonylContact O-C 3.55Å; L557-S570 VanDerWaalsContact O-CA 3.29Å; L557-S570 WeakPolarHBondContact O-CA 3.41Å; K558-S570 PolarHBondContact NZ-OG 3.17Å
571	F	96.6	Very high	93.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.9	178.9	-44	-96.7	0	0	0	109.9	L557 L559 R569 I590 Y602 K604 L606 S607	L557-F571 HydrophobicContact CB-CB 4.11Å; L557-F571 HydrophobicContact CB-CD2 3.76Å; L557-F571 HydrophobicContact CB-CG 4.36Å; L557-F571 PolarHBondContact N-O 3.4Å; L557-F571 PolarHBondContact O-N 2.82Å; L559-F571 HydrophobicContact CB-CE2 3.85Å; L559-F571 HydrophobicContact CB-CZ 4.12Å; R569-F571 HydrophobicContact CG-CE1 4.25Å; R569-F571 HydrophobicContact CG-CZ 4.3Å; F571-I590 HydrophobicContact CE1-CD1 4.26Å; F571-I590 HydrophobicContact CE2-CD1 3.82Å; F571-I590 HydrophobicContact CZ-CD1 3.61Å; F571-Y602 HydrophobicContact CB-CD1 3.8Å; F571-Y602 HydrophobicContact CB-CD2 4.46Å; F571-Y602 HydrophobicContact CB-CE1 3.87Å; F571-Y602 HydrophobicContact CB-CG 4.1Å; F571-Y602 AromaticContact CD1-CD1 3.96Å; F571-Y602 HydrophobicContact CD1-CD1 3.96Å; F571-Y602 HydrophobicContact CD1-CG 4.09Å; F571-Y602 HydrophobicContact CG-CD1 4.28Å; F571-Y602 HydrophobicContact CG-CG 4.33Å; F571-K604 HydrophobicContact CZ-CB 4.48Å; F571-L606 WeakPolarHBondContact CD1-O 3.43Å; F571-L606 WeakPolarHBondContact CE1-O 3.34Å; F571-S607 WeakPolarHBondContact CA-O 3.18Å
572	K	94.1	Very high	93.3	Very high	125 Å²	125	59.7 Å²	59.7	54%	0.543	31%	0.312	S	S	.	.			trans	-137.1	160.7	-174.3	-65.8	-177.9	-179	177.3	0	111	Q556 Y602 S607	Q556-K572 HydrophobicContact CG-CG 4.37Å; K572-Y602 WeakPolarHBondContact O-CE1 3.49Å; K572-Y602 PolarHBondContact O-OH 2.87Å; K572-S607 PolarHBondContact N-O 2.93Å
573	G	92.3	Very high	93.5	Very high	47 Å²	47	58.8 Å²	58.8	49%	0.485	31%	0.306	S	S	.	.	S	Bend	trans	122.4	-23.8	172.7	0	0	0	0	0	114.4	Y600	G573-Y600 WeakPolarHBondContact O-CE1 3.48Å; G573-Y600 PolarHBondContact O-OH 3.05Å; G573-Y600 VanDerWaalsContact O-OH 3.1Å
574	H	95.3	Very high	93.8	Very high	6 Å²	6	56.3 Å²	56.3	3%	0.028	28%	0.279	C	S	.	.	S	Bend	trans	-75.4	158.8	161.2	65.7	-81.3	0	0	0	110	Y600 Y602	H574-Y600 HydrophobicContact CB-CD1 3.97Å; H574-Y600 HydrophobicContact CB-CD2 3.84Å; H574-Y600 HydrophobicContact CB-CE1 4.29Å; H574-Y600 HydrophobicContact CB-CE2 4.16Å; H574-Y600 HydrophobicContact CB-CG 3.75Å; H574-Y602 PolarHBondContact N-OH 2.93Å; H574-Y602 AromaticContact ND1-CE2 3.91Å; H574-Y602 AromaticContact ND1-CZ 3.84Å; H574-Y602 PolarHBondContact ND1-OH 3.5Å; H574-Y602 VanDerWaalsContact ND1-OH 3.09Å
575	I	96.3	Very high	94	Very high	80 Å²	80	52 Å²	52	41%	0.41	26%	0.264	S	S	.	.			trans	-108.4	121.6	173.7	-57	173	0	0	0	107	S594 E595 N596	I575-S594 PolarHBondContact N-OG 3.31Å; I575-S594 CarbonylContact O-C 3.53Å; I575-S594 WeakPolarHBondContact O-CA 3.39Å; I575-S594 PolarHBondContact O-OG 3.48Å; I575-E595 HydrophobicContact CB-CB 4.49Å; I575-E595 HydrophobicContact CG2-CB 4.18Å; I575-E595 PolarHBondContact O-N 3.22Å; I575-N596 HydrophobicContact CD1-CB 4.39Å
576	N	96.1	Very high	94.3	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.253	C	S	.	.			trans	-151	88.5	175.1	-179.4	37.1	0	0	0	109.6	S552 T553 D554 S555 N579 V581	S552-N576 PolarHBondContact O-ND2 3.3Å; T553-N576 CarbonylContact C-O 3.55Å; T553-N576 WeakPolarHBondContact CA-O 3.42Å; T553-N576 VanDerWaalsContact O-O 3.12Å; D554-N576 PolarHBondContact N-O 2.96Å; S555-N576 PolarHBondContact N-O 2.88Å; S555-N576 PolarHBondContact OG-N 3.44Å; S555-N576 PolarHBondContact OG-O 2.76Å; N576-N579 PolarHBondContact OD1-O 3.33Å; N576-V581 HydrophobicContact CB-CG1 4.41Å; N576-V581 HydrophobicContact CB-CG2 4.16Å; N576-V581 WeakPolarHBondContact OD1-CG1 3.36Å
577	E	94.3	Very high	94.4	Very high	85 Å²	85	44.2 Å²	44.2	40%	0.397	24%	0.242	S	C	.	.	S	Bend	trans	-107.9	-18	-176.6	-70.9	-60.6	135.5	0	0	114	K535 T553 S555 E595	K535-E577 PolarHBondContact NZ-O 3.13Å; K535-E577 IonicContact NZ-OE2 3.18Å; K535-E577 PolarHBondContact NZ-OE2 3.21Å; T553-E577 CarbonylContact O-C 2.93Å; T553-E577 WeakPolarHBondContact O-CA 3.5Å; S555-E577 VanDerWaalsContact CB-OE1 3.29Å; S555-E577 WeakPolarHBondContact CB-OE1 3.36Å; S555-E577 PolarHBondContact N-OE1 2.83Å; S555-E577 PolarHBondContact OG-OE1 2.8Å; E577-E595 PolarHBondContact N-OE2 2.98Å
578	K	93.1	Very high	94.2	Very high	159 Å²	159	43.6 Å²	43.6	69%	0.691	24%	0.236	S	C	*	.	S	Bend	trans	-138.4	-40.6	-171.1	179.8	-179	175.5	-174.7	0	114.8	E595	K578-E595 WeakPolarHBondContact CA-OE1 3.41Å; K578-E595 WeakPolarHBondContact CB-OE1 3.42Å; K578-E595 PolarHBondContact N-OE1 2.82Å
579	N	94.8	Very high	94.4	Very high	41 Å²	41	41 Å²	41	22%	0.219	22%	0.221	C	C	.	.	S	Bend	trans	-98.1	169.8	-164.6	-63.7	-73.9	0	0	0	114.1	N576 V581 E595 F634	N576-N579 PolarHBondContact OD1-O 3.33Å; N579-V581 HydrophobicContact CB-CG1 4.38Å; N579-E595 WeakPolarHBondContact CB-OE1 3.1Å; N579-E595 PolarHBondContact N-OE1 3.28Å; N579-E595 PolarHBondContact ND2-OE1 3.09Å; N579-F634 HydrophobicContact CB-CD1 4.29Å; N579-F634 HydrophobicContact CB-CD2 3.75Å; N579-F634 HydrophobicContact CB-CE1 4.27Å; N579-F634 HydrophobicContact CB-CE2 3.72Å; N579-F634 HydrophobicContact CB-CG 4.05Å; N579-F634 HydrophobicContact CB-CZ 3.99Å; N579-F634 WeakPolarHBondContact OD1-CE1 3.39Å
580	F	95.4	Very high	94.6	Very high	65 Å²	65	38.1 Å²	38.1	29%	0.285	21%	0.21	S	C	.	.			trans	-89.9	106.2	165.7	-74.9	-88.6	0	0	0	107.9	W452 C494 Y539	W452-F580 HydrophobicContact CE3-CE2 4.27Å; W452-F580 HydrophobicContact CE3-CZ 4.19Å; W452-F580 AromaticContact CH2-CE2 3.73Å; W452-F580 HydrophobicContact CH2-CE2 3.73Å; W452-F580 HydrophobicContact CH2-CZ 4.23Å; W452-F580 HydrophobicContact CZ2-CE2 4.39Å; W452-F580 HydrophobicContact CZ3-CD2 4.19Å; W452-F580 AromaticContact CZ3-CE2 3.67Å; W452-F580 HydrophobicContact CZ3-CE2 3.67Å; W452-F580 HydrophobicContact CZ3-CZ 4.05Å; C494-F580 HydrophobicContact CB-CE1 4.24Å; C494-F580 HydrophobicContact CB-CZ 4.43Å; Y539-F580 HydrophobicContact CE2-CB 4.08Å; Y539-F580 AromaticContact CE2-CD1 3.9Å; Y539-F580 HydrophobicContact CE2-CD1 3.9Å
581	V	96.3	Very high	94.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.2	C	C	.	.			trans	-98.5	3.2	-171	-61.9	0	0	0	0	115.3	N576 N579 G593 E595 F634 V635 S636	N576-V581 HydrophobicContact CB-CG1 4.41Å; N576-V581 HydrophobicContact CB-CG2 4.16Å; N576-V581 WeakPolarHBondContact OD1-CG1 3.36Å; N579-V581 HydrophobicContact CB-CG1 4.38Å; V581-G593 WeakPolarHBondContact O-CA 3.24Å; V581-G593 PolarHBondContact O-N 2.95Å; V581-E595 HydrophobicContact CG1-CG 4.18Å; V581-F634 HydrophobicContact CG1-CD2 4.47Å; V581-V635 CarbonylContact C-O 3.58Å; V581-V635 WeakPolarHBondContact CA-O 3.39Å; V581-V635 WeakPolarHBondContact CB-O 3.44Å; V581-S636 CarbonylContact C-O 3.56Å
582	G	96.4	Very high	94.7	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.021	20%	0.2	C	C	.	.			trans	73.7	147	-171.9	0	0	0	0	0	114.3	Y539 C592 G593 S636	Y539-G582 VanDerWaalsContact CE2-N 3.26Å; Y539-G582 PolarHBondContact OH-N 3.32Å; G582-C592 WeakPolarHBondContact O-CA 3.42Å; G582-G593 PolarHBondContact O-N 2.94Å; G582-S636 PolarHBondContact N-O 2.79Å
583	L	98.2	Very high	94.9	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	128.1	173	178.9	69.7	0	0	0	109.4	Y539 K541 V549 A551 L557 I590 C592	Y539-L583 HydrophobicContact CD2-CB 4.28Å; Y539-L583 HydrophobicContact CG-CB 3.9Å; K541-L583 WeakPolarHBondContact CE-O 3.19Å; K541-L583 HydrophobicContact CG-CD2 4.49Å; V549-L583 HydrophobicContact CG1-CD2 4.17Å; V549-L583 HydrophobicContact CG2-CD1 4.36Å; V549-L583 HydrophobicContact CG2-CD2 4.37Å; A551-L583 HydrophobicContact CB-CB 4.4Å; A551-L583 HydrophobicContact CB-CD2 4.04Å; L557-L583 HydrophobicContact CD1-CD1 3.97Å; L557-L583 HydrophobicContact CD2-CD1 4.01Å; L583-I590 HydrophobicContact CD1-CG2 3.84Å; L583-C592 HydrophobicContact CD1-CB 4.18Å
584	A	96.6	Very high	95.1	Very high	8 Å²	8	28.6 Å²	28.6	7%	0.066	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.6	174.5	0	0	0	0	0	111.1	A591 V638 W640	A584-A591 PolarHBondContact N-O 2.87Å; A584-A591 PolarHBondContact O-N 2.82Å; A584-V638 HydrophobicContact CB-CG2 3.88Å; A584-W640 VanDerWaalsContact CB-CD1 3.47Å; A584-W640 HydrophobicContact CB-CG 4.49Å; A584-W640 PolarHBondContact O-NE1 2.67Å; A584-W640 VanDerWaalsContact O-NE1 3.15Å
585	S	93.8	Very high	95.2	Very high	26 Å²	26	30.3 Å²	30.3	18%	0.182	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.7	177.3	-172.5	0	0	0	0	110.2	Y589	S585-Y589 VanDerWaalsContact CA-O 3.28Å; S585-Y589 WeakPolarHBondContact CA-O 3.4Å; S585-Y589 PolarHBondContact OG-O 3.2Å
586	N	91.4	Very high	95	Very high	31 Å²	31	29.1 Å²	29.1	17%	0.166	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	116.5	172	-177.2	30.3	0	0	0	108.7	D588 Y589 W640 S648	N586-D588 PolarHBondContact O-N 2.84Å; N586-D588 VanDerWaalsContact O-N 3.14Å; N586-Y589 PolarHBondContact N-O 3.46Å; N586-Y589 PolarHBondContact O-N 2.85Å; N586-W640 HydrophobicContact CB-CB 3.85Å; N586-W640 HydrophobicContact CB-CD2 3.49Å; N586-W640 VanDerWaalsContact CB-CD2 3.49Å; N586-W640 HydrophobicContact CB-CE3 3.9Å; N586-W640 HydrophobicContact CB-CG 3.48Å; N586-W640 VanDerWaalsContact CB-CG 3.48Å; N586-W640 HydrophobicContact CB-CZ2 4.48Å; N586-S648 PolarHBondContact ND2-O 2.93Å
587	G	87.5	Confident	95	Very high	44 Å²	44	29.4 Å²	29.4	45%	0.454	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	-117.6	-171.5	0	0	0	0	0	111.6	V543	V543-G587 VanDerWaalsContact CG1-O 3.23Å; V543-G587 WeakPolarHBondContact CG1-O 3.42Å
588	D	91.1	Very high	95.1	Very high	30 Å²	30	25.6 Å²	25.6	16%	0.16	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	3.5	-178	-60.4	-42.4	0	0	0	115.1	K333 N586 Y603 K604	K333-D588 WeakPolarHBondContact CD-OD2 3.33Å; K333-D588 VanDerWaalsContact CE-OD2 3.27Å; K333-D588 WeakPolarHBondContact CE-OD2 3.23Å; K333-D588 IonicContact NZ-OD2 3.95Å; K333-D588 PolarHBondContact NZ-OD2 3.16Å; N586-D588 PolarHBondContact O-N 2.84Å; N586-D588 VanDerWaalsContact O-N 3.14Å; D588-Y603 HydrophobicContact CB-CD2 3.87Å; D588-Y603 HydrophobicContact CB-CE2 3.59Å; D588-Y603 WeakPolarHBondContact O-CD2 3.45Å; D588-K604 HydrophobicContact CB-CD 4.26Å; D588-K604 HydrophobicContact CB-CG 4.21Å; D588-K604 PolarHBondContact O-N 3.02Å; D588-K604 WeakPolarHBondContact OD1-CE 3.45Å; D588-K604 IonicContact OD1-NZ 3.46Å; D588-K604 PolarHBondContact OD1-NZ 2.63Å
589	Y	94.3	Very high	95.3	Very high	17 Å²	17	18.3 Å²	18.3	7%	0.067	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.1	-179.1	-56.5	-80.8	0	0	0	111.8	K333 R336 Y337 S585 N586 L601 Y602 Y603 L610	K333-Y589 WeakPolarHBondContact CA-OH 3.44Å; K333-Y589 PolarHBondContact O-OH 3.16Å; R336-Y589 WeakPolarHBondContact CD-OH 3.3Å; Y337-Y589 HydrophobicContact CD2-CD1 4.33Å; Y337-Y589 AromaticContact CD2-CE1 3.88Å; Y337-Y589 HydrophobicContact CD2-CE1 3.88Å; Y337-Y589 HydrophobicContact CD2-CE2 4.5Å; Y337-Y589 AromaticContact CD2-CZ 3.99Å; Y337-Y589 HydrophobicContact CE2-CD1 4.29Å; Y337-Y589 HydrophobicContact CE2-CD2 4.09Å; Y337-Y589 AromaticContact CE2-CE1 3.91Å; Y337-Y589 HydrophobicContact CE2-CE1 3.91Å; Y337-Y589 AromaticContact CE2-CE2 3.7Å; Y337-Y589 HydrophobicContact CE2-CE2 3.7Å; Y337-Y589 HydrophobicContact CE2-CG 4.38Å; Y337-Y589 AromaticContact CE2-CZ 3.61Å; S585-Y589 VanDerWaalsContact CA-O 3.28Å; S585-Y589 WeakPolarHBondContact CA-O 3.4Å; S585-Y589 PolarHBondContact OG-O 3.2Å; N586-Y589 PolarHBondContact N-O 3.46Å; N586-Y589 PolarHBondContact O-N 2.85Å; Y589-L601 HydrophobicContact CD1-CD2 4.47Å; Y589-Y602 WeakPolarHBondContact CA-O 3.32Å; Y589-Y603 HydrophobicContact CE1-CD2 4.18Å; Y589-L610 HydrophobicContact CD1-CD1 4.33Å; Y589-L610 HydrophobicContact CE1-CD1 4.03Å
590	I	96.9	Very high	95.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.8	-178.4	-61.6	160.7	0	0	0	107.2	V549 L557 F571 L583 L601 Y602 K604	V549-I590 HydrophobicContact CB-CD1 4.35Å; V549-I590 HydrophobicContact CG2-CD1 3.99Å; V549-I590 HydrophobicContact CG2-CG1 4.42Å; V549-I590 HydrophobicContact CG2-CG2 4.02Å; L557-I590 HydrophobicContact CD1-CG2 3.68Å; F571-I590 HydrophobicContact CE1-CD1 4.26Å; F571-I590 HydrophobicContact CE2-CD1 3.82Å; F571-I590 HydrophobicContact CZ-CD1 3.61Å; L583-I590 HydrophobicContact CD1-CG2 3.84Å; I590-L601 WeakPolarHBondContact O-CA 3.36Å; I590-L601 WeakPolarHBondContact O-CD1 3.4Å; I590-Y602 PolarHBondContact N-O 2.68Å; I590-Y602 PolarHBondContact O-N 3.31Å; I590-K604 HydrophobicContact CD1-CB 3.93Å
591	A	97.4	Very high	95.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.008	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.1	177.3	0	0	0	0	0	109.9	A584 L599 Y600 L601 W640 L651	A584-A591 PolarHBondContact N-O 2.87Å; A584-A591 PolarHBondContact O-N 2.82Å; A591-L599 HydrophobicContact CB-CD1 4.42Å; A591-Y600 WeakPolarHBondContact CA-O 3.34Å; A591-L601 HydrophobicContact CB-CD1 3.97Å; A591-W640 HydrophobicContact CB-CZ2 4.11Å; A591-L651 HydrophobicContact CB-CD2 4.25Å
592	C	97.9	Very high	95.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.1	172.9	73.7	0	0	0	0	111.4	L557 G582 L583 Y600	L557-C592 HydrophobicContact CD1-CB 4.03Å; L557-C592 HydrophobicContact CD2-CB 4.24Å; G582-C592 WeakPolarHBondContact O-CA 3.42Å; L583-C592 HydrophobicContact CD1-CB 4.18Å; C592-Y600 PolarHBondContact N-O 2.94Å; C592-Y600 PolarHBondContact O-N 2.66Å
593	G	97.6	Very high	95.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.091	C	C	.	.			trans	-73	179.6	169.2	0	0	0	0	0	113.2	V581 G582 S598 V635	V581-G593 WeakPolarHBondContact O-CA 3.24Å; V581-G593 PolarHBondContact O-N 2.95Å; G582-G593 PolarHBondContact O-N 2.94Å; G593-S598 CarbonylContact C-O 3.48Å; G593-V635 VanDerWaalsContact CA-CG1 3.5Å
594	S	97.4	Very high	95.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.098	C	C	.	.			trans	-155.1	152.5	178.8	-179.2	0	0	0	0	110.7	I575 N596 N597 S598 F634 V635	I575-S594 PolarHBondContact N-OG 3.31Å; I575-S594 CarbonylContact O-C 3.53Å; I575-S594 WeakPolarHBondContact O-CA 3.39Å; I575-S594 PolarHBondContact O-OG 3.48Å; S594-N596 WeakPolarHBondContact CB-OD1 3.46Å; S594-N596 PolarHBondContact O-N 2.93Å; S594-N596 PolarHBondContact OG-OD1 3.26Å; S594-N597 PolarHBondContact O-N 3.02Å; S594-S598 WeakPolarHBondContact CB-O 3.28Å; S594-S598 PolarHBondContact N-O 2.69Å; S594-F634 WeakPolarHBondContact O-CA 3.48Å; S594-V635 PolarHBondContact O-N 2.92Å; S594-V635 VanDerWaalsContact O-N 3.13Å
595	E	95.8	Very high	94.7	Very high	43 Å²	43	17.3 Å²	17.3	20%	0.201	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	9.8	-179.9	-61.5	177.1	147.3	0	0	113.9	I575 E577 K578 N579 V581 E633 F634	I575-E595 HydrophobicContact CB-CB 4.49Å; I575-E595 HydrophobicContact CG2-CB 4.18Å; I575-E595 PolarHBondContact O-N 3.22Å; E577-E595 PolarHBondContact N-OE2 2.98Å; K578-E595 WeakPolarHBondContact CA-OE1 3.41Å; K578-E595 WeakPolarHBondContact CB-OE1 3.42Å; K578-E595 PolarHBondContact N-OE1 2.82Å; N579-E595 WeakPolarHBondContact CB-OE1 3.1Å; N579-E595 PolarHBondContact N-OE1 3.28Å; N579-E595 PolarHBondContact ND2-OE1 3.09Å; V581-E595 HydrophobicContact CG1-CG 4.18Å; E595-E633 CarbonylContact C-O 3.57Å; E595-F634 HydrophobicContact CB-CB 4.37Å; E595-F634 HydrophobicContact CG-CB 4.13Å
596	N	93.9	Very high	94.5	Very high	55 Å²	55	16.1 Å²	16.1	29%	0.294	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	32.6	167.8	64.2	-5.7	0	0	0	111.8	I575 S594 S598 Y600	I575-N596 HydrophobicContact CD1-CB 4.39Å; S594-N596 WeakPolarHBondContact CB-OD1 3.46Å; S594-N596 PolarHBondContact O-N 2.93Å; S594-N596 PolarHBondContact OG-OD1 3.26Å; N596-S598 PolarHBondContact O-N 2.88Å; N596-S598 VanDerWaalsContact O-N 3.13Å; N596-S598 PolarHBondContact O-OG 3.47Å; N596-S598 WeakPolarHBondContact OD1-CB 3.37Å; N596-Y600 PolarHBondContact ND2-OH 3.22Å
597	N	95.3	Very high	94.4	Very high	6 Å²	6	16.2 Å²	16.2	3%	0.032	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	40.8	-175.7	-159.5	19.7	0	0	0	113.6	S594 F615 T617 E633 N655	S594-N597 PolarHBondContact O-N 3.02Å; N597-F615 WeakPolarHBondContact O-CB 3.27Å; N597-F615 PolarHBondContact O-N 3.14Å; N597-F615 WeakPolarHBondContact OD1-CB 3.25Å; N597-T617 PolarHBondContact ND2-OG1 2.71Å; N597-T617 VanDerWaalsContact ND2-OG1 3.16Å; N597-E633 HydrophobicContact CB-CB 3.96Å; N597-E633 PolarHBondContact N-O 3.22Å; N597-E633 PolarHBondContact ND2-OE2 3.41Å; N597-N655 WeakPolarHBondContact OD1-CB 3.43Å; N597-N655 PolarHBondContact OD1-ND2 3.01Å
598	S	96.1	Very high	94.5	Very high	5 Å²	5	16.9 Å²	16.9	4%	0.035	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.1	-177.5	-53	0	0	0	0	112.4	G593 S594 N596 F613	G593-S598 CarbonylContact C-O 3.48Å; S594-S598 WeakPolarHBondContact CB-O 3.28Å; S594-S598 PolarHBondContact N-O 2.69Å; N596-S598 PolarHBondContact O-N 2.88Å; N596-S598 VanDerWaalsContact O-N 3.13Å; N596-S598 PolarHBondContact O-OG 3.47Å; N596-S598 WeakPolarHBondContact OD1-CB 3.37Å; S598-F613 CarbonylContact C-O 3.57Å; S598-F613 VanDerWaalsContact CA-O 3.26Å; S598-F613 WeakPolarHBondContact CA-O 3.29Å; S598-F613 WeakPolarHBondContact CB-O 3.31Å
599	L	97.3	Very high	94.5	Very high	7 Å²	7	16.9 Å²	16.9	4%	0.037	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134.7	171	176.5	76.4	0	0	0	109.5	A591 T612 F613 F615 V638 L651 A653 L663	A591-L599 HydrophobicContact CB-CD1 4.42Å; L599-T612 CarbonylContact O-C 3.6Å; L599-T612 VanDerWaalsContact O-CA 3.28Å; L599-T612 WeakPolarHBondContact O-CA 3.48Å; L599-T612 WeakPolarHBondContact O-CG2 3.46Å; L599-F613 HydrophobicContact CB-CB 4.28Å; L599-F613 PolarHBondContact N-O 2.85Å; L599-F613 PolarHBondContact O-N 3Å; L599-F615 HydrophobicContact CB-CE2 4.47Å; L599-V638 HydrophobicContact CD1-CB 4.35Å; L599-V638 HydrophobicContact CD1-CG1 3.42Å; L599-V638 VanDerWaalsContact CD1-CG1 3.42Å; L599-L651 HydrophobicContact CD2-CD1 3.53Å; L599-L651 HydrophobicContact CD2-CD2 4.35Å; L599-A653 HydrophobicContact CD1-CB 4.23Å; L599-A653 HydrophobicContact CD2-CB 4.17Å; L599-L663 HydrophobicContact CD2-CD1 3.72Å
600	Y	97.6	Very high	94.4	Very high	25 Å²	25	16.7 Å²	16.7	10%	0.098	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.9	177.1	-77.9	-113.9	0	0	0	110.4	G573 H574 A591 C592 N596 T609 T612	G573-Y600 WeakPolarHBondContact O-CE1 3.48Å; G573-Y600 PolarHBondContact O-OH 3.05Å; G573-Y600 VanDerWaalsContact O-OH 3.1Å; H574-Y600 HydrophobicContact CB-CD1 3.97Å; H574-Y600 HydrophobicContact CB-CD2 3.84Å; H574-Y600 HydrophobicContact CB-CE1 4.29Å; H574-Y600 HydrophobicContact CB-CE2 4.16Å; H574-Y600 HydrophobicContact CB-CG 3.75Å; A591-Y600 WeakPolarHBondContact CA-O 3.34Å; C592-Y600 PolarHBondContact N-O 2.94Å; C592-Y600 PolarHBondContact O-N 2.66Å; N596-Y600 PolarHBondContact ND2-OH 3.22Å; Y600-T609 HydrophobicContact CD1-CG2 3.52Å; Y600-T609 HydrophobicContact CE1-CG2 4.2Å; Y600-T609 HydrophobicContact CG-CG2 4.35Å; Y600-T612 HydrophobicContact CD2-CG2 4.2Å; Y600-T612 HydrophobicContact CE2-CG2 3.97Å
601	L	96.6	Very high	94.1	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.1	172.3	-168.8	71.3	0	0	0	110.6	Y589 I590 A591 L610 L611 W640 L665	Y589-L601 HydrophobicContact CD1-CD2 4.47Å; I590-L601 WeakPolarHBondContact O-CA 3.36Å; I590-L601 WeakPolarHBondContact O-CD1 3.4Å; A591-L601 HydrophobicContact CB-CD1 3.97Å; L601-L610 HydrophobicContact CD2-CD2 4.47Å; L601-L610 WeakPolarHBondContact O-CB 3.21Å; L601-L610 PolarHBondContact O-N 2.88Å; L601-L611 HydrophobicContact CB-CD1 3.45Å; L601-L611 VanDerWaalsContact CB-CD1 3.45Å; L601-L611 HydrophobicContact CB-CG 3.82Å; L601-L611 HydrophobicContact CD2-CD1 3.88Å; L601-L611 HydrophobicContact CD2-CD2 3.97Å; L601-L611 HydrophobicContact CD2-CG 3.79Å; L601-L611 HydrophobicContact CG-CD1 4.3Å; L601-L611 HydrophobicContact CG-CG 4.43Å; L601-L611 PolarHBondContact N-O 2.78Å; L601-L611 PolarHBondContact O-N 3.43Å; L601-W640 HydrophobicContact CD1-CH2 3.81Å; L601-W640 HydrophobicContact CD1-CZ2 3.56Å; L601-L665 HydrophobicContact CD2-CD1 3.57Å; L601-L665 HydrophobicContact CD2-CD2 4.28Å
602	Y	95.7	Very high	94	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151	175.1	-62	-86.4	0	0	0	110	L557 F571 K572 H574 Y589 I590 T609	L557-Y602 HydrophobicContact CD1-CD2 4.08Å; L557-Y602 HydrophobicContact CD1-CE2 4.2Å; F571-Y602 HydrophobicContact CB-CD1 3.8Å; F571-Y602 HydrophobicContact CB-CD2 4.46Å; F571-Y602 HydrophobicContact CB-CE1 3.87Å; F571-Y602 HydrophobicContact CB-CG 4.1Å; F571-Y602 AromaticContact CD1-CD1 3.96Å; F571-Y602 HydrophobicContact CD1-CD1 3.96Å; F571-Y602 HydrophobicContact CD1-CG 4.09Å; F571-Y602 HydrophobicContact CG-CD1 4.28Å; F571-Y602 HydrophobicContact CG-CG 4.33Å; K572-Y602 WeakPolarHBondContact O-CE1 3.49Å; K572-Y602 PolarHBondContact O-OH 2.87Å; H574-Y602 PolarHBondContact N-OH 2.93Å; H574-Y602 AromaticContact ND1-CE2 3.91Å; H574-Y602 AromaticContact ND1-CZ 3.84Å; H574-Y602 PolarHBondContact ND1-OH 3.5Å; H574-Y602 VanDerWaalsContact ND1-OH 3.09Å; Y589-Y602 WeakPolarHBondContact CA-O 3.32Å; I590-Y602 PolarHBondContact N-O 2.68Å; I590-Y602 PolarHBondContact O-N 3.31Å; Y602-T609 VanDerWaalsContact CE1-CA 3.48Å; Y602-T609 HydrophobicContact CE1-CG2 4.49Å; Y602-T609 WeakPolarHBondContact CE1-OG1 3.21Å; Y602-T609 PolarHBondContact OH-OG1 2.97Å
603	Y	93.8	Very high	93.9	Very high	20 Å²	20	21.6 Å²	21.6	8%	0.078	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.1	164	163.1	-106.4	0	0	0	108	K333 F334 D588 Y589 G605 L606	K333-Y603 HydrophobicContact CB-CD2 3.99Å; K333-Y603 HydrophobicContact CB-CE2 3.5Å; K333-Y603 HydrophobicContact CD-CE2 3.85Å; K333-Y603 HydrophobicContact CG-CE2 4.28Å; F334-Y603 HydrophobicContact CB-CD1 4.44Å; D588-Y603 HydrophobicContact CB-CD2 3.87Å; D588-Y603 HydrophobicContact CB-CE2 3.59Å; D588-Y603 WeakPolarHBondContact O-CD2 3.45Å; Y589-Y603 HydrophobicContact CE1-CD2 4.18Å; Y603-G605 PolarHBondContact O-N 2.81Å; Y603-L606 HydrophobicContact CD1-CB 4.38Å; Y603-L606 HydrophobicContact CD1-CD1 3.58Å; Y603-L606 HydrophobicContact CE1-CD1 3.85Å; Y603-L606 PolarHBondContact O-N 2.82Å
604	K	92.5	Very high	93.8	Very high	40 Å²	40	28.5 Å²	28.5	17%	0.174	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.9	-168.8	78.5	178	-168.9	-164.8	0	114.4	V543 E547 L559 R569 F571 D588 I590	V543-K604 HydrophobicContact CG1-CD 3.88Å; E547-K604 WeakPolarHBondContact OE2-CE 3.33Å; E547-K604 IonicContact OE2-NZ 2.96Å; E547-K604 PolarHBondContact OE2-NZ 3.41Å; L559-K604 HydrophobicContact CD2-CB 4.33Å; R569-K604 PolarHBondContact NH1-O 3.12Å; F571-K604 HydrophobicContact CZ-CB 4.48Å; D588-K604 HydrophobicContact CB-CD 4.26Å; D588-K604 HydrophobicContact CB-CG 4.21Å; D588-K604 PolarHBondContact O-N 3.02Å; D588-K604 WeakPolarHBondContact OD1-CE 3.45Å; D588-K604 IonicContact OD1-NZ 3.46Å; D588-K604 PolarHBondContact OD1-NZ 2.63Å; I590-K604 HydrophobicContact CD1-CB 3.93Å
605	G	88.4	Confident	93.6	Very high	11 Å²	11	28.6 Å²	28.6	11%	0.113	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-11.1	178.1	0	0	0	0	0	115.8	R569 Y603	R569-G605 VanDerWaalsContact CZ-C 3.45Å; R569-G605 PolarHBondContact NE-O 3.02Å; R569-G605 PolarHBondContact NH1-O 2.9Å; R569-G605 PolarHBondContact NH2-O 2.6Å; R569-G605 VanDerWaalsContact NH2-O 3.1Å; Y603-G605 PolarHBondContact O-N 2.81Å
606	L	89.2	Confident	93.2	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.161	C	C	.	.			trans	-128.9	150.6	-179.9	-85.3	101.6	0	0	0	111.9	H298 D301 L302 F334 F571 Y603	H298-L606 HydrophobicContact CB-CD2 3.99Å; D301-L606 HydrophobicContact CB-CD2 3.66Å; D301-L606 HydrophobicContact CB-CG 4.21Å; L302-L606 HydrophobicContact CD2-CD1 4.04Å; L302-L606 HydrophobicContact CD2-CD2 3.83Å; L302-L606 HydrophobicContact CD2-CG 4.4Å; L302-L606 HydrophobicContact CG-CD2 3.98Å; F334-L606 HydrophobicContact CB-CD1 4.06Å; F334-L606 HydrophobicContact CD2-CD1 4.19Å; F334-L606 HydrophobicContact CD2-CD2 4.27Å; F334-L606 HydrophobicContact CE2-CD2 4.41Å; F334-L606 HydrophobicContact CG-CD1 4.15Å; F571-L606 WeakPolarHBondContact CD1-O 3.43Å; F571-L606 WeakPolarHBondContact CE1-O 3.34Å; Y603-L606 HydrophobicContact CD1-CB 4.38Å; Y603-L606 HydrophobicContact CD1-CD1 3.58Å; Y603-L606 HydrophobicContact CE1-CD1 3.85Å; Y603-L606 PolarHBondContact O-N 2.82Å
607	S	90.5	Very high	92.3	Very high	32 Å²	32	31.4 Å²	31.4	22%	0.224	16%	0.163	C	C	.	.	S	Bend	trans	-91.2	-31.5	-172.4	-51.4	0	0	0	0	112.9	D301 R569 F571 K572	D301-S607 WeakPolarHBondContact OD2-CA 3.3Å; D301-S607 WeakPolarHBondContact OD2-CB 3.29Å; D301-S607 PolarHBondContact OD2-N 3.37Å; R569-S607 WeakPolarHBondContact CD-OG 3.41Å; R569-S607 WeakPolarHBondContact CG-OG 3.33Å; F571-S607 WeakPolarHBondContact CA-O 3.18Å; K572-S607 PolarHBondContact N-O 2.93Å
608	K	88.8	Confident	90.9	Very high	59 Å²	59	36 Å²	36	26%	0.257	19%	0.191	S	C	.	.	S	Bend	trans	-79.2	149.3	176.8	-69.9	170.9	-176	170.6	0	112.5	A297 H298 E300 D301	A297-K608 WeakPolarHBondContact O-CD 3.49Å; A297-K608 PolarHBondContact O-NZ 2.83Å; H298-K608 VanDerWaalsContact CE1-CB 3.44Å; H298-K608 WeakPolarHBondContact CE1-CB 3.32Å; E300-K608 IonicContact OE2-NZ 2.77Å; E300-K608 PolarHBondContact OE2-NZ 2.78Å; D301-K608 VanDerWaalsContact OD1-CD 3.3Å; D301-K608 WeakPolarHBondContact OD1-CD 3.31Å; D301-K608 WeakPolarHBondContact OD1-CE 3.47Å; D301-K608 IonicContact OD1-NZ 3.01Å; D301-K608 PolarHBondContact OD2-N 2.89Å
609	T	92.2	Very high	89	Confident	30 Å²	30	42.5 Å²	42.5	18%	0.184	22%	0.219	C	C	.	.			trans	-56.7	132.3	178.7	-48.6	0	0	0	0	112.7	H298 Y600 Y602 L611	H298-T609 PolarHBondContact CE1-O 3.35Å; H298-T609 PolarHBondContact NE2-O 3.45Å; Y600-T609 HydrophobicContact CD1-CG2 3.52Å; Y600-T609 HydrophobicContact CE1-CG2 4.2Å; Y600-T609 HydrophobicContact CG-CG2 4.35Å; Y602-T609 VanDerWaalsContact CE1-CA 3.48Å; Y602-T609 HydrophobicContact CE1-CG2 4.49Å; Y602-T609 WeakPolarHBondContact CE1-OG1 3.21Å; Y602-T609 PolarHBondContact OH-OG1 2.97Å; T609-L611 VanDerWaalsContact CG2-O 3.29Å; T609-L611 WeakPolarHBondContact CG2-O 3.35Å
610	L	90.9	Very high	86.9	Confident	12 Å²	12	44.8 Å²	44.8	6%	0.063	24%	0.235	C	C	.	.	S	Bend	trans	-79.7	-49.6	176.9	-168.2	160.5	0	0	0	111.4	F334 Y589 L601	F334-L610 HydrophobicContact CD2-CD1 4.16Å; F334-L610 HydrophobicContact CD2-CG 4.17Å; F334-L610 HydrophobicContact CE2-CG 4.16Å; Y589-L610 HydrophobicContact CD1-CD1 4.33Å; Y589-L610 HydrophobicContact CE1-CD1 4.03Å; L601-L610 HydrophobicContact CD2-CD2 4.47Å; L601-L610 WeakPolarHBondContact O-CB 3.21Å; L601-L610 PolarHBondContact O-N 2.88Å
611	L	91.3	Very high	84.6	Confident	22 Å²	22	49.4 Å²	49.4	12%	0.115	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	163.4	176.2	58.8	76.7	0	0	0	111.4	V340 L601 T609 L665	V340-L611 HydrophobicContact CG1-CD1 3.53Å; V340-L611 HydrophobicContact CG1-CD2 4.12Å; V340-L611 HydrophobicContact CG1-CG 4.44Å; L601-L611 HydrophobicContact CB-CD1 3.45Å; L601-L611 VanDerWaalsContact CB-CD1 3.45Å; L601-L611 HydrophobicContact CB-CG 3.82Å; L601-L611 HydrophobicContact CD2-CD1 3.88Å; L601-L611 HydrophobicContact CD2-CD2 3.97Å; L601-L611 HydrophobicContact CD2-CG 3.79Å; L601-L611 HydrophobicContact CG-CD1 4.3Å; L601-L611 HydrophobicContact CG-CG 4.43Å; L601-L611 PolarHBondContact N-O 2.78Å; L601-L611 PolarHBondContact O-N 3.43Å; T609-L611 VanDerWaalsContact CG2-O 3.29Å; T609-L611 WeakPolarHBondContact CG2-O 3.35Å; L611-L665 HydrophobicContact CD1-CD2 4.45Å; L611-L665 HydrophobicContact CD2-CD2 4.45Å
612	T	94.6	Very high	82.6	Confident	62 Å²	62	56.7 Å²	56.7	38%	0.38	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.7	179.4	-58.6	0	0	0	0	109	L599 Y600	L599-T612 CarbonylContact O-C 3.6Å; L599-T612 VanDerWaalsContact O-CA 3.28Å; L599-T612 WeakPolarHBondContact O-CA 3.48Å; L599-T612 WeakPolarHBondContact O-CG2 3.46Å; Y600-T612 HydrophobicContact CD2-CG2 4.2Å; Y600-T612 HydrophobicContact CE2-CG2 3.97Å
613	F	96.1	Very high	80.6	Confident	21 Å²	21	59.5 Å²	59.5	9%	0.092	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.8	169.9	175.9	-95.8	0	0	0	108.7	V340 P342 S598 L599 F615 K661 L663	V340-F613 HydrophobicContact CB-CB 4.45Å; V340-F613 HydrophobicContact CB-CD2 4.21Å; V340-F613 HydrophobicContact CG2-CB 3.99Å; V340-F613 HydrophobicContact CG2-CD2 3.76Å; V340-F613 HydrophobicContact CG2-CG 4.36Å; P342-F613 HydrophobicContact CG-CE2 3.77Å; P342-F613 HydrophobicContact CG-CZ 4.1Å; S598-F613 CarbonylContact C-O 3.57Å; S598-F613 VanDerWaalsContact CA-O 3.26Å; S598-F613 WeakPolarHBondContact CA-O 3.29Å; S598-F613 WeakPolarHBondContact CB-O 3.31Å; L599-F613 HydrophobicContact CB-CB 4.28Å; L599-F613 PolarHBondContact N-O 2.85Å; L599-F613 PolarHBondContact O-N 3Å; F613-F615 AromaticContact CD1-CD2 3.93Å; F613-F615 HydrophobicContact CD1-CD2 3.93Å; F613-F615 AromaticContact CD1-CE2 3.86Å; F613-F615 HydrophobicContact CD1-CE2 3.86Å; F613-F615 AromaticContact CE1-CD2 3.84Å; F613-F615 HydrophobicContact CE1-CD2 3.84Å; F613-F615 AromaticContact CE1-CE2 3.92Å; F613-F615 HydrophobicContact CE1-CE2 3.92Å; F613-F615 HydrophobicContact CE1-CG 4.14Å; F613-F615 HydrophobicContact CE1-CZ 4.29Å; F613-K661 HydrophobicContact CE1-CD 3.78Å; F613-K661 HydrophobicContact CZ-CD 3.63Å; F613-L663 HydrophobicContact CB-CD1 4.38Å; F613-L663 HydrophobicContact CD1-CD1 3.63Å; F613-L663 HydrophobicContact CD1-CD2 4.19Å; F613-L663 HydrophobicContact CD2-CD2 4.16Å; F613-L663 HydrophobicContact CE1-CD1 4.07Å; F613-L663 HydrophobicContact CE1-CD2 3.94Å; F613-L663 HydrophobicContact CE2-CD2 3.92Å; F613-L663 HydrophobicContact CG-CD1 3.91Å; F613-L663 HydrophobicContact CG-CD2 4.3Å; F613-L663 HydrophobicContact CZ-CD2 3.81Å
614	K	95.1	Very high	78.5	Confident	144 Å²	144	66.8 Å²	66.8	63%	0.626	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.1	176.4	-177.4	169.1	-177.5	-178.4	0	109.6
615	F	93.3	Very high	76.5	Confident	3 Å²	3	72.6 Å²	72.6	1%	0.013	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-76.8	147.7	173	-79.4	-109.7	0	0	0	110.9	N597 L599 F613 T617 V635 A653 N655 T659 K661	N597-F615 WeakPolarHBondContact O-CB 3.27Å; N597-F615 PolarHBondContact O-N 3.14Å; N597-F615 WeakPolarHBondContact OD1-CB 3.25Å; L599-F615 HydrophobicContact CB-CE2 4.47Å; F613-F615 AromaticContact CD1-CD2 3.93Å; F613-F615 HydrophobicContact CD1-CD2 3.93Å; F613-F615 AromaticContact CD1-CE2 3.86Å; F613-F615 HydrophobicContact CD1-CE2 3.86Å; F613-F615 AromaticContact CE1-CD2 3.84Å; F613-F615 HydrophobicContact CE1-CD2 3.84Å; F613-F615 AromaticContact CE1-CE2 3.92Å; F613-F615 HydrophobicContact CE1-CE2 3.92Å; F613-F615 HydrophobicContact CE1-CG 4.14Å; F613-F615 HydrophobicContact CE1-CZ 4.29Å; F615-T617 PolarHBondContact O-N 3.22Å; F615-V635 HydrophobicContact CD2-CG2 3.61Å; F615-V635 HydrophobicContact CE2-CG2 3.53Å; F615-V635 HydrophobicContact CZ-CG2 4.42Å; F615-A653 HydrophobicContact CE2-CB 4.28Å; F615-A653 HydrophobicContact CZ-CB 3.86Å; F615-N655 HydrophobicContact CD1-CB 4.31Å; F615-T659 HydrophobicContact CD1-CG2 4.25Å; F615-K661 HydrophobicContact CD1-CD 4.24Å; F615-K661 HydrophobicContact CE1-CB 4.24Å; F615-K661 HydrophobicContact CE1-CD 4.17Å; F615-K661 HydrophobicContact CE1-CG 4.11Å
616	D	87.4	Confident	74.7	Confident	103 Å²	103	80.4 Å²	80.4	55%	0.551	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-74.1	118.7	171.4	-49.4	-67.9	0	0	0	109.3	V618 K661	D616-V618 PolarHBondContact O-N 2.76Å; D616-K661 IonicContact OD2-NZ 2.67Å; D616-K661 PolarHBondContact OD2-NZ 3.12Å
617	T	76.3	Confident	72.7	Confident	54 Å²	54	88 Å²	88	33%	0.331	44%	0.443	S	S	.	.			trans	-79.3	105.7	171.5	-67.6	0	0	0	0	108.9	N597 F615 K619 E633	N597-T617 PolarHBondContact ND2-OG1 2.71Å; N597-T617 VanDerWaalsContact ND2-OG1 3.16Å; F615-T617 PolarHBondContact O-N 3.22Å; T617-K619 PolarHBondContact O-N 2.91Å; T617-E633 WeakPolarHBondContact CB-OE2 3.33Å; T617-E633 WeakPolarHBondContact CG2-OE1 3.08Å; T617-E633 VanDerWaalsContact CG2-OE2 3.23Å; T617-E633 WeakPolarHBondContact CG2-OE2 3.49Å; T617-E633 PolarHBondContact OG1-OE2 2.65Å
618	V	65.8	Low	70.6	Confident	103 Å²	103	93.3 Å²	93.3	62%	0.624	46%	0.464	S	S	*	.			trans	-74.6	107	177.3	-174.9	0	0	0	0	109.4	D616 S620	D616-V618 PolarHBondContact O-N 2.76Å; V618-S620 PolarHBondContact O-N 2.68Å
619	K	56.6	Low	68.4	Low	141 Å²	141	98.1 Å²	98.1	61%	0.613	49%	0.493	S	S	*	.			trans	-76.8	117.5	172.9	-65.2	-173.3	178.6	-174.8	0	109.5	T617 E628	T617-K619 PolarHBondContact O-N 2.91Å; K619-E628 IonicContact NZ-OE1 2.67Å; K619-E628 PolarHBondContact NZ-OE1 2.59Å
620	S	52.3	Low	66.3	Low	55 Å²	55	101.9 Å²	101.9	39%	0.385	51%	0.512	S	S	.	.			trans	-62.6	143.4	170.8	-175.4	0	0	0	0	110.4	V618 L622 D623	V618-S620 PolarHBondContact O-N 2.68Å; S620-L622 PolarHBondContact O-N 2.77Å; S620-L622 VanDerWaalsContact O-N 3.09Å; S620-L622 PolarHBondContact OG-N 3.34Å; S620-D623 VanDerWaalsContact CB-OD2 3.24Å; S620-D623 WeakPolarHBondContact CB-OD2 3.48Å; S620-D623 PolarHBondContact O-N 3.26Å
621	V	49.7	Very low	64.8	Low	121 Å²	121	104.9 Å²	104.9	73%	0.733	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.2	175.6	178.6	0	0	0	0	111.9
622	L	53.3	Low	64.2	Low	156 Å²	156	110 Å²	110	82%	0.817	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-14.9	176	-59.3	174.7	0	0	0	113.9	S620 K624	S620-L622 PolarHBondContact O-N 2.77Å; S620-L622 VanDerWaalsContact O-N 3.09Å; S620-L622 PolarHBondContact OG-N 3.34Å; L622-K624 VanDerWaalsContact C-N 3.31Å; L622-K624 PolarHBondContact O-N 2.89Å
623	D	53.9	Low	63.9	Low	59 Å²	59	108 Å²	108	32%	0.316	55%	0.545	S	S	.	.			trans	-90.8	20.6	-176.3	-80.2	-53.7	0	0	0	113.7	S620 D625 R626	S620-D623 VanDerWaalsContact CB-OD2 3.24Å; S620-D623 WeakPolarHBondContact CB-OD2 3.48Å; S620-D623 PolarHBondContact O-N 3.26Å; D623-D625 PolarHBondContact O-N 3.35Å; D623-R626 PolarHBondContact O-N 3.41Å; D623-R626 VanDerWaalsContact O-N 3.13Å; D623-R626 WeakPolarHBondContact OD1-CD 3.35Å; D623-R626 IonicContact OD1-CZ 2.75Å; D623-R626 IonicContact OD1-NE 3.86Å; D623-R626 IonicContact OD1-NH1 2.82Å; D623-R626 PolarHBondContact OD1-NH1 2.96Å; D623-R626 IonicContact OD2-NH1 3.71Å
624	K	49.8	Very low	63.9	Low	172 Å²	172	108 Å²	108	75%	0.748	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.8	-176.8	-77.7	-177.9	177.9	179.8	0	114.9	L622	L622-K624 VanDerWaalsContact C-N 3.31Å; L622-K624 PolarHBondContact O-N 2.89Å
625	D	51	Low	64	Low	162 Å²	162	101.1 Å²	101.1	87%	0.866	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	0.8	-178	-61.6	-43	0	0	0	114.3	D623	D623-D625 PolarHBondContact O-N 3.35Å
626	R	50.1	Low	64.2	Low	176 Å²	176	101 Å²	101	66%	0.664	52%	0.515	S	S	*	.	S	Bend	trans	-84.8	127.7	174	-77.8	-171.4	168.6	141.4	-12.3	111.1	D623	D623-R626 PolarHBondContact O-N 3.41Å; D623-R626 VanDerWaalsContact O-N 3.13Å; D623-R626 WeakPolarHBondContact OD1-CD 3.35Å; D623-R626 IonicContact OD1-CZ 2.75Å; D623-R626 IonicContact OD1-NE 3.86Å; D623-R626 IonicContact OD1-NH1 2.82Å; D623-R626 PolarHBondContact OD1-NH1 2.96Å; D623-R626 IonicContact OD2-NH1 3.71Å
627	K	47.2	Very low	64.6	Low	160 Å²	160	96.2 Å²	96.2	70%	0.696	49%	0.489	S	S	*	.			trans	-67.5	146.3	175.2	-67	179.7	179.4	177.1	0	110.4	D629 D630	K627-D629 PolarHBondContact O-N 2.86Å; K627-D629 VanDerWaalsContact O-N 3.09Å; K627-D630 PolarHBondContact O-N 3.23Å
628	E	46.3	Very low	65.7	Low	144 Å²	144	94.2 Å²	94.2	67%	0.673	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-64.3	-15.2	-177	-63.3	-168.2	129.8	0	0	114.2	K619 T631	K619-E628 IonicContact NZ-OE1 2.67Å; K619-E628 PolarHBondContact NZ-OE1 2.59Å; E628-T631 PolarHBondContact O-OG1 3.34Å
629	D	43.9	Very low	67.2	Low	160 Å²	160	89.6 Å²	89.6	86%	0.856	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-79.5	-11.4	177.1	-65.9	-45.8	0	0	0	114.4	K627	K627-D629 PolarHBondContact O-N 2.86Å; K627-D629 VanDerWaalsContact O-N 3.09Å
630	D	48.2	Very low	69	Low	109 Å²	109	83.4 Å²	83.4	58%	0.583	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-93.5	-8.9	-174.2	-88.5	-42.9	0	0	0	114.9	K627 N632	K627-D630 PolarHBondContact O-N 3.23Å; D630-N632 PolarHBondContact O-N 3.38Å; D630-N632 PolarHBondContact O-ND2 3.22Å; D630-N632 VanDerWaalsContact O-ND2 3.12Å
631	T	58.9	Low	71	Confident	75 Å²	75	82.5 Å²	82.5	46%	0.46	41%	0.41	S	S	.	.			trans	-76	86.8	-179.9	51.3	0	0	0	0	111.7	E628 E633	E628-T631 PolarHBondContact O-OG1 3.34Å; T631-E633 PolarHBondContact O-N 3.48Å
632	N	77.7	Confident	72.8	Confident	129 Å²	129	79.3 Å²	79.3	69%	0.69	40%	0.396	S	S	*	.			trans	-71.8	56.9	174.4	-75.7	-92.9	0	0	0	112.2	D630	D630-N632 PolarHBondContact O-N 3.38Å; D630-N632 PolarHBondContact O-ND2 3.22Å; D630-N632 VanDerWaalsContact O-ND2 3.12Å
633	E	89.9	Confident	74.2	Confident	22 Å²	22	74.7 Å²	74.7	10%	0.103	37%	0.372	C	S	.	.			trans	-93.4	130.8	-174.9	-70.8	173.3	-166.2	0	0	112.7	E595 N597 T617 T631 S656 Q657	E595-E633 CarbonylContact C-O 3.57Å; N597-E633 HydrophobicContact CB-CB 3.96Å; N597-E633 PolarHBondContact N-O 3.22Å; N597-E633 PolarHBondContact ND2-OE2 3.41Å; T617-E633 WeakPolarHBondContact CB-OE2 3.33Å; T617-E633 WeakPolarHBondContact CG2-OE1 3.08Å; T617-E633 VanDerWaalsContact CG2-OE2 3.23Å; T617-E633 WeakPolarHBondContact CG2-OE2 3.49Å; T617-E633 PolarHBondContact OG1-OE2 2.65Å; T631-E633 PolarHBondContact O-N 3.48Å; E633-S656 WeakPolarHBondContact CA-OG 3.24Å; E633-Q657 VanDerWaalsContact CD-NE2 3.25Å; E633-Q657 HydrophobicContact CG-CG 4.1Å; E633-Q657 PolarHBondContact OE1-NE2 3.39Å
634	F	95	Very high	75	Confident	19 Å²	19	76.9 Å²	76.9	8%	0.083	39%	0.39	C	S	.	.			trans	-138.6	145.7	-179	62.6	-84.9	0	0	0	111.4	I358 N579 V581 S594 E595 S636 N655 S656	I358-F634 HydrophobicContact CD1-CZ 4.25Å; I358-F634 HydrophobicContact CG2-CZ 4.3Å; N579-F634 HydrophobicContact CB-CD1 4.29Å; N579-F634 HydrophobicContact CB-CD2 3.75Å; N579-F634 HydrophobicContact CB-CE1 4.27Å; N579-F634 HydrophobicContact CB-CE2 3.72Å; N579-F634 HydrophobicContact CB-CG 4.05Å; N579-F634 HydrophobicContact CB-CZ 3.99Å; N579-F634 WeakPolarHBondContact OD1-CE1 3.39Å; V581-F634 HydrophobicContact CG1-CD2 4.47Å; S594-F634 WeakPolarHBondContact O-CA 3.48Å; E595-F634 HydrophobicContact CB-CB 4.37Å; E595-F634 HydrophobicContact CG-CB 4.13Å; F634-S636 PolarHBondContact O-N 3.26Å; F634-N655 CarbonylContact O-C 3.58Å; F634-N655 WeakPolarHBondContact O-CA 3.45Å; F634-N655 WeakPolarHBondContact O-CB 3.33Å; F634-S656 PolarHBondContact N-OG 3.2Å; F634-S656 VanDerWaalsContact N-OG 3.08Å; F634-S656 PolarHBondContact O-N 3.42Å; F634-S656 PolarHBondContact O-OG 2.87Å
635	V	97.1	Very high	76	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.7	164.7	173.7	0	0	0	0	107.3	V581 G593 S594 F615 V638 A654	V581-V635 CarbonylContact C-O 3.58Å; V581-V635 WeakPolarHBondContact CA-O 3.39Å; V581-V635 WeakPolarHBondContact CB-O 3.44Å; G593-V635 VanDerWaalsContact CA-CG1 3.5Å; S594-V635 PolarHBondContact O-N 2.92Å; S594-V635 VanDerWaalsContact O-N 3.13Å; F615-V635 HydrophobicContact CD2-CG2 3.61Å; F615-V635 HydrophobicContact CE2-CG2 3.53Å; F615-V635 HydrophobicContact CZ-CG2 4.42Å; V635-V638 HydrophobicContact CG1-CG1 3.91Å; V635-A654 WeakPolarHBondContact CG1-O 3.41Å
636	S	96.8	Very high	76.4	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.014	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-26.7	-165.6	61.5	0	0	0	0	114	V359 V581 G582 F634 A654 N655	V359-S636 VanDerWaalsContact O-CB 3.24Å; V359-S636 WeakPolarHBondContact O-CB 3.23Å; V359-S636 PolarHBondContact O-OG 3.38Å; V581-S636 CarbonylContact C-O 3.56Å; G582-S636 PolarHBondContact N-O 2.79Å; F634-S636 PolarHBondContact O-N 3.26Å; S636-A654 PolarHBondContact N-O 2.91Å; S636-A654 PolarHBondContact OG-O 3.16Å; S636-N655 PolarHBondContact OG-O 3.22Å
637	A	97.7	Very high	77.1	Confident	2 Å²	2	69 Å²	69	2%	0.017	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	144.7	176.7	0	0	0	0	0	111.6	V359 I362 A653 A654	V359-A637 HydrophobicContact CB-CB 4.45Å; V359-A637 HydrophobicContact CG1-CB 3.78Å; I362-A637 HydrophobicContact CD1-CB 4.05Å; I362-A637 HydrophobicContact CG1-CB 3.94Å; A637-A653 CarbonylContact O-C 3.51Å; A637-A653 WeakPolarHBondContact O-CA 3.41Å; A637-A654 PolarHBondContact N-O 3.07Å; A637-A654 PolarHBondContact O-N 2.89Å
638	V	97.8	Very high	78.5	Confident	11 Å²	11	61.8 Å²	61.8	7%	0.067	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140.9	179.1	-57	0	0	0	0	109.3	A584 L599 V635 I652 A653	A584-V638 HydrophobicContact CB-CG2 3.88Å; L599-V638 HydrophobicContact CD1-CB 4.35Å; L599-V638 HydrophobicContact CD1-CG1 3.42Å; L599-V638 VanDerWaalsContact CD1-CG1 3.42Å; V635-V638 HydrophobicContact CG1-CG1 3.91Å; V638-I652 CarbonylContact C-O 3.58Å; V638-I652 WeakPolarHBondContact CA-O 3.47Å; V638-A653 HydrophobicContact CG1-CB 4.03Å
639	C	97.3	Very high	80.6	Confident	7 Å²	7	57.4 Å²	57.4	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	141.9	175.9	-175.5	0	0	0	0	110.6	I362 E363 L651 I652	I362-C639 HydrophobicContact CB-CB 4Å; I362-C639 HydrophobicContact CG2-CB 4Å; I362-C639 VanDerWaalsContact O-CB 3.23Å; I362-C639 WeakPolarHBondContact O-CB 3.4Å; E363-C639 PolarHBondContact OE2-SG 2.65Å; C639-L651 CarbonylContact O-C 3.56Å; C639-L651 VanDerWaalsContact O-CA 3.3Å; C639-L651 WeakPolarHBondContact O-CA 3.42Å; C639-L651 WeakPolarHBondContact O-CB 3.48Å; C639-I652 PolarHBondContact N-O 3.15Å; C639-I652 PolarHBondContact O-N 3.46Å
640	W	95.9	Very high	83	Confident	11 Å²	11	50.5 Å²	50.5	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.3	173.5	-71.6	99.1	0	0	0	110.5	A584 N586 A591 L601 A642 L651 L665	A584-W640 VanDerWaalsContact CB-CD1 3.47Å; A584-W640 HydrophobicContact CB-CG 4.49Å; A584-W640 PolarHBondContact O-NE1 2.67Å; A584-W640 VanDerWaalsContact O-NE1 3.15Å; N586-W640 HydrophobicContact CB-CB 3.85Å; N586-W640 HydrophobicContact CB-CD2 3.49Å; N586-W640 VanDerWaalsContact CB-CD2 3.49Å; N586-W640 HydrophobicContact CB-CE3 3.9Å; N586-W640 HydrophobicContact CB-CG 3.48Å; N586-W640 VanDerWaalsContact CB-CG 3.48Å; N586-W640 HydrophobicContact CB-CZ2 4.48Å; A591-W640 HydrophobicContact CB-CZ2 4.11Å; L601-W640 HydrophobicContact CD1-CH2 3.81Å; L601-W640 HydrophobicContact CD1-CZ2 3.56Å; W640-A642 PolarHBondContact O-N 2.72Å; W640-L651 HydrophobicContact CD2-CB 4.04Å; W640-L651 HydrophobicContact CD2-CD2 4.27Å; W640-L651 HydrophobicContact CE3-CB 3.87Å; W640-L651 HydrophobicContact CE3-CD2 4.1Å; W640-L651 HydrophobicContact CG-CB 4.44Å; W640-L651 HydrophobicContact CH2-CD2 3.93Å; W640-L651 HydrophobicContact CZ2-CD2 4.05Å; W640-L651 HydrophobicContact CZ3-CB 4.44Å; W640-L651 HydrophobicContact CZ3-CD2 3.93Å; W640-L665 HydrophobicContact CH2-CD1 3.56Å; W640-L665 HydrophobicContact CZ3-CD1 3.78Å
641	R	94.4	Very high	85.3	Confident	35 Å²	35	45.5 Å²	45.5	13%	0.132	27%	0.265	C	S	.	.			trans	-78.5	75	167.6	-171.1	175.6	-178.6	-120.7	0.5	109.1	F364 C368 Y385 L643 S648 V650	F364-R641 HydrophobicContact CD1-CG 4.05Å; F364-R641 HydrophobicContact CD2-CB 4.15Å; F364-R641 HydrophobicContact CD2-CG 4.41Å; F364-R641 HydrophobicContact CE1-CB 4.1Å; F364-R641 HydrophobicContact CE1-CG 3.64Å; F364-R641 HydrophobicContact CE2-CB 3.58Å; F364-R641 HydrophobicContact CE2-CG 4.04Å; F364-R641 HydrophobicContact CG-CG 4.41Å; F364-R641 HydrophobicContact CZ-CB 3.55Å; F364-R641 HydrophobicContact CZ-CG 3.63Å; C368-R641 HydrophobicContact CB-CG 3.78Å; C368-R641 VanDerWaalsContact O-CZ 3.32Å; C368-R641 PolarHBondContact O-NE 3.25Å; C368-R641 PolarHBondContact O-NH2 2.67Å; Y385-R641 VanDerWaalsContact CD1-CZ 3.49Å; Y385-R641 VanDerWaalsContact CE1-CZ 3.49Å; R641-L643 PolarHBondContact O-N 2.85Å; R641-S648 WeakPolarHBondContact O-CB 3.43Å; R641-S648 PolarHBondContact O-OG 3.42Å; R641-V650 HydrophobicContact CB-CB 4.47Å; R641-V650 PolarHBondContact N-O 3.43Å
642	A	86.1	Confident	87.2	Confident	54 Å²	54	41.9 Å²	41.9	45%	0.446	24%	0.243	S	C	.	.			trans	-75	84.5	-171.9	0	0	0	0	0	112.2	W640	W640-A642 PolarHBondContact O-N 2.72Å
643	L	82.4	Confident	88.1	Confident	59 Å²	59	35.8 Å²	35.8	31%	0.309	21%	0.21	S	C	.	.			trans	-60.3	139.5	177.4	-67.2	174.7	0	0	0	111.9	C368 R641 D645 G646	C368-L643 HydrophobicContact CB-CD2 4Å; R641-L643 PolarHBondContact O-N 2.85Å; L643-D645 PolarHBondContact O-N 3.32Å; L643-D645 VanDerWaalsContact O-N 3.15Å; L643-G646 PolarHBondContact O-N 3.4Å
644	P	72.5	Confident	88.5	Confident	106 Å²	106	34.7 Å²	34.7	69%	0.688	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.8	179.8	-28	35.6	0	0	0	114.8	G646	P644-G646 PolarHBondContact O-N 3.27Å
645	D	69.8	Low	88.5	Confident	162 Å²	162	33.8 Å²	33.8	87%	0.866	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	8.1	-179.5	-61.8	-37.9	0	0	0	114.1	L643 E647	L643-D645 PolarHBondContact O-N 3.32Å; L643-D645 VanDerWaalsContact O-N 3.15Å; D645-E647 PolarHBondContact O-N 3.42Å
646	G	60.1	Low	88.3	Confident	55 Å²	55	34.6 Å²	34.6	57%	0.567	21%	0.207	S	C	*	.	S	Bend	trans	91.8	-15.5	156.3	0	0	0	0	0	117.3	L643 P644	L643-G646 PolarHBondContact O-N 3.4Å; P644-G646 PolarHBondContact O-N 3.27Å
647	E	64.4	Low	88	Confident	128 Å²	128	36.7 Å²	36.7	60%	0.598	22%	0.217	S	C	*	.			trans	-122.5	104	173.9	-63.1	-150.8	152.4	0	0	112.1	R336 D645	R336-E647 IonicContact CZ-OE1 2.82Å; R336-E647 IonicContact CZ-OE2 3.83Å; R336-E647 IonicContact NH1-OE1 3.28Å; R336-E647 PolarHBondContact NH1-OE1 3.44Å; R336-E647 IonicContact NH1-OE2 3.17Å; R336-E647 PolarHBondContact NH1-OE2 3.08Å; R336-E647 VanDerWaalsContact NH1-OE2 3.14Å; R336-E647 VanDerWaalsContact NH2-CD 3.27Å; R336-E647 IonicContact NH2-OE1 3.96Å; R336-E647 IonicContact NH2-OE2 2.73Å; R336-E647 PolarHBondContact NH2-OE2 2.83Å; D645-E647 PolarHBondContact O-N 3.42Å
648	S	76.9	Confident	87.7	Confident	7 Å²	7	36.7 Å²	36.7	5%	0.049	22%	0.216	C	C	.	.			trans	-118.2	125.4	166.5	180	0	0	0	0	110.7	N586 R641 V650	N586-S648 PolarHBondContact ND2-O 2.93Å; R641-S648 WeakPolarHBondContact O-CB 3.43Å; R641-S648 PolarHBondContact O-OG 3.42Å; S648-V650 VanDerWaalsContact C-N 3.32Å; S648-V650 PolarHBondContact OG-N 2.97Å; S648-V650 PolarHBondContact OG-O 3.49Å
649	N	90.5	Very high	87.5	Confident	53 Å²	53	37.3 Å²	37.3	28%	0.283	22%	0.22	S	C	.	.			trans	-91.8	5.4	173.6	-57.3	-0.1	0	0	0	111.2	R336 Y337 E664 L665	R336-N649 PolarHBondContact NH2-OD1 3.23Å; Y337-N649 HydrophobicContact CE1-CB 4.24Å; Y337-N649 PolarHBondContact OH-OD1 3.05Å; N649-E664 CarbonylContact O-C 3.6Å; N649-L665 HydrophobicContact CB-CB 4.37Å; N649-L665 WeakPolarHBondContact O-CB 3.47Å; N649-L665 WeakPolarHBondContact O-CG 3.37Å; N649-L665 PolarHBondContact O-N 2.94Å
650	V	94.7	Very high	87.4	Confident	15 Å²	15	37 Å²	37	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.7	-171.9	-177.1	0	0	0	0	112.3	L343 Y385 R641 S648 V662 L663 E664	L343-V650 HydrophobicContact CD1-CG2 4.39Å; Y385-V650 HydrophobicContact CE2-CG1 4.29Å; R641-V650 HydrophobicContact CB-CB 4.47Å; R641-V650 PolarHBondContact N-O 3.43Å; S648-V650 VanDerWaalsContact C-N 3.32Å; S648-V650 PolarHBondContact OG-N 2.97Å; S648-V650 PolarHBondContact OG-O 3.49Å; V650-V662 HydrophobicContact CG1-CG1 3.75Å; V650-L663 WeakPolarHBondContact CA-O 3.39Å; V650-E664 HydrophobicContact CG2-CB 4.35Å; V650-E664 HydrophobicContact CG2-CG 4.49Å
651	L	96.2	Very high	87.3	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.3	172.1	61.8	86	0	0	0	110.6	A591 L599 C639 W640 A653 L663 L665	A591-L651 HydrophobicContact CB-CD2 4.25Å; L599-L651 HydrophobicContact CD2-CD1 3.53Å; L599-L651 HydrophobicContact CD2-CD2 4.35Å; C639-L651 CarbonylContact O-C 3.56Å; C639-L651 VanDerWaalsContact O-CA 3.3Å; C639-L651 WeakPolarHBondContact O-CA 3.42Å; C639-L651 WeakPolarHBondContact O-CB 3.48Å; W640-L651 HydrophobicContact CD2-CB 4.04Å; W640-L651 HydrophobicContact CD2-CD2 4.27Å; W640-L651 HydrophobicContact CE3-CB 3.87Å; W640-L651 HydrophobicContact CE3-CD2 4.1Å; W640-L651 HydrophobicContact CG-CB 4.44Å; W640-L651 HydrophobicContact CH2-CD2 3.93Å; W640-L651 HydrophobicContact CZ2-CD2 4.05Å; W640-L651 HydrophobicContact CZ3-CB 4.44Å; W640-L651 HydrophobicContact CZ3-CD2 3.93Å; L651-A653 HydrophobicContact CD1-CB 4.25Å; L651-L663 HydrophobicContact CD1-CB 3.95Å; L651-L663 HydrophobicContact CD1-CD1 3.96Å; L651-L663 HydrophobicContact CD1-CG 4.39Å; L651-L663 HydrophobicContact CG-CB 4.4Å; L651-L663 PolarHBondContact N-O 3.09Å; L651-L663 PolarHBondContact O-N 3.19Å; L651-L665 HydrophobicContact CD2-CD2 4.48Å
652	I	97.8	Very high	87.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.2	170.5	-54.6	-173.4	0	0	0	108	I362 F364 F371 V638 C639 I660 K661 V662	I362-I652 HydrophobicContact CD1-CG2 3.91Å; I362-I652 HydrophobicContact CG2-CB 4.32Å; I362-I652 HydrophobicContact CG2-CG2 4.27Å; F364-I652 HydrophobicContact CE1-CD1 4.36Å; F364-I652 HydrophobicContact CE2-CD1 3.8Å; F364-I652 HydrophobicContact CE2-CG1 3.94Å; F364-I652 HydrophobicContact CZ-CD1 3.44Å; F364-I652 VanDerWaalsContact CZ-CD1 3.44Å; F364-I652 HydrophobicContact CZ-CG1 3.89Å; F371-I652 HydrophobicContact CB-CD1 4.24Å; F371-I652 HydrophobicContact CD1-CD1 3.88Å; F371-I652 HydrophobicContact CD2-CD1 3.49Å; F371-I652 VanDerWaalsContact CD2-CD1 3.49Å; F371-I652 HydrophobicContact CE1-CD1 4.06Å; F371-I652 HydrophobicContact CE2-CD1 3.64Å; F371-I652 HydrophobicContact CG-CD1 3.61Å; F371-I652 HydrophobicContact CZ-CD1 3.94Å; V638-I652 CarbonylContact C-O 3.58Å; V638-I652 WeakPolarHBondContact CA-O 3.47Å; C639-I652 PolarHBondContact N-O 3.15Å; C639-I652 PolarHBondContact O-N 3.46Å; I652-I660 HydrophobicContact CG2-CG2 3.5Å; I652-I660 VanDerWaalsContact CG2-CG2 3.5Å; I652-K661 WeakPolarHBondContact CA-O 3.36Å; I652-V662 HydrophobicContact CD1-CG2 4.16Å; I652-V662 HydrophobicContact CG1-CG1 4.41Å; I652-V662 HydrophobicContact CG1-CG2 4.13Å
653	A	98	Very high	87.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145	175	0	0	0	0	0	110.5	L599 F615 A637 V638 L651 I660 K661 L663	L599-A653 HydrophobicContact CD1-CB 4.23Å; L599-A653 HydrophobicContact CD2-CB 4.17Å; F615-A653 HydrophobicContact CE2-CB 4.28Å; F615-A653 HydrophobicContact CZ-CB 3.86Å; A637-A653 CarbonylContact O-C 3.51Å; A637-A653 WeakPolarHBondContact O-CA 3.41Å; V638-A653 HydrophobicContact CG1-CB 4.03Å; L651-A653 HydrophobicContact CD1-CB 4.25Å; A653-I660 CarbonylContact O-C 3.52Å; A653-I660 WeakPolarHBondContact O-CA 3.44Å; A653-K661 PolarHBondContact N-O 3.01Å; A653-K661 PolarHBondContact O-N 3.24Å; A653-L663 HydrophobicContact CB-CD1 4.3Å
654	A	97.1	Very high	88.5	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.2	176.7	0	0	0	0	0	112.2	V359 I362 V635 S636 A637 T659 I660	V359-A654 HydrophobicContact CB-CB 3.75Å; V359-A654 HydrophobicContact CG1-CB 3.94Å; V359-A654 HydrophobicContact CG2-CB 3.86Å; I362-A654 HydrophobicContact CD1-CB 3.83Å; V635-A654 WeakPolarHBondContact CG1-O 3.41Å; S636-A654 PolarHBondContact N-O 2.91Å; S636-A654 PolarHBondContact OG-O 3.16Å; A637-A654 PolarHBondContact N-O 3.07Å; A637-A654 PolarHBondContact O-N 2.89Å; A654-T659 CarbonylContact C-O 3.53Å; A654-T659 WeakPolarHBondContact CA-O 3.24Å; A654-I660 HydrophobicContact CB-CB 4.23Å; A654-I660 HydrophobicContact CB-CG1 3.67Å; A654-I660 HydrophobicContact CB-CG2 4.46Å
655	N	95.2	Very high	89.4	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	176.3	-179.3	80	-2.3	0	0	0	113.9	N597 F615 F634 S636 Q657 G658 T659	N597-N655 WeakPolarHBondContact OD1-CB 3.43Å; N597-N655 PolarHBondContact OD1-ND2 3.01Å; F615-N655 HydrophobicContact CD1-CB 4.31Å; F634-N655 CarbonylContact O-C 3.58Å; F634-N655 WeakPolarHBondContact O-CA 3.45Å; F634-N655 WeakPolarHBondContact O-CB 3.33Å; S636-N655 PolarHBondContact OG-O 3.22Å; N655-Q657 PolarHBondContact O-N 2.94Å; N655-Q657 WeakPolarHBondContact OD1-CB 3.45Å; N655-Q657 PolarHBondContact OD1-N 3.37Å; N655-Q657 VanDerWaalsContact OD1-N 3.09Å; N655-G658 PolarHBondContact O-N 3.39Å; N655-G658 PolarHBondContact OD1-N 2.67Å; N655-T659 PolarHBondContact N-O 2.97Å; N655-T659 WeakPolarHBondContact OD1-CB 3.35Å; N655-T659 PolarHBondContact OD1-N 3.43Å; N655-T659 PolarHBondContact OD1-O 3.09Å
656	S	93.1	Very high	90.1	Very high	16 Å²	16	22.1 Å²	22.1	11%	0.112	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-18	-179.2	60.5	0	0	0	0	114.7	I358 E633 F634	I358-S656 WeakPolarHBondContact CG1-O 3.24Å; E633-S656 WeakPolarHBondContact CA-OG 3.24Å; F634-S656 PolarHBondContact N-OG 3.2Å; F634-S656 VanDerWaalsContact N-OG 3.08Å; F634-S656 PolarHBondContact O-N 3.42Å; F634-S656 PolarHBondContact O-OG 2.87Å
657	Q	90.4	Very high	91.6	Very high	47 Å²	47	20.5 Å²	20.5	22%	0.22	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-9.8	170.2	-57.7	-172.3	-41.6	0	0	112.2	S357 E633 N655 T659	S357-Q657 PolarHBondContact OG-O 2.72Å; E633-Q657 VanDerWaalsContact CD-NE2 3.25Å; E633-Q657 HydrophobicContact CG-CG 4.1Å; E633-Q657 PolarHBondContact OE1-NE2 3.39Å; N655-Q657 PolarHBondContact O-N 2.94Å; N655-Q657 WeakPolarHBondContact OD1-CB 3.45Å; N655-Q657 PolarHBondContact OD1-N 3.37Å; N655-Q657 VanDerWaalsContact OD1-N 3.09Å; Q657-T659 VanDerWaalsContact C-N 3.34Å
658	G	91.4	Very high	93.1	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.01	8%	0.08	C	C	.	.			trans	82.4	9.4	-172.9	0	0	0	0	0	113.8	Y348 S357 N655 I660	Y348-G658 WeakPolarHBondContact CB-O 3.44Å; Y348-G658 PolarHBondContact N-O 3.48Å; S357-G658 WeakPolarHBondContact O-CA 3.35Å; N655-G658 PolarHBondContact O-N 3.39Å; N655-G658 PolarHBondContact OD1-N 2.67Å; G658-I660 PolarHBondContact O-N 3.13Å
659	T	92.9	Very high	93.9	Very high	24 Å²	24	15.2 Å²	15.2	15%	0.147	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	122.5	170.4	-53.5	0	0	0	0	108.9	T345 F615 A654 N655 Q657 K661	T345-T659 HydrophobicContact CG2-CG2 4.02Å; F615-T659 HydrophobicContact CD1-CG2 4.25Å; A654-T659 CarbonylContact C-O 3.53Å; A654-T659 WeakPolarHBondContact CA-O 3.24Å; N655-T659 PolarHBondContact N-O 2.97Å; N655-T659 WeakPolarHBondContact OD1-CB 3.35Å; N655-T659 PolarHBondContact OD1-N 3.43Å; N655-T659 PolarHBondContact OD1-O 3.09Å; Q657-T659 VanDerWaalsContact C-N 3.34Å; T659-K661 HydrophobicContact CG2-CG 4.5Å
660	I	95	Very high	94.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.7	175.7	-56.4	134.1	0	0	0	107.6	T345 L346 V359 I373 I652 A653 A654 G658	T345-I660 CarbonylContact C-O 3.57Å; T345-I660 WeakPolarHBondContact CA-O 3.41Å; L346-I660 HydrophobicContact CB-CB 4.17Å; L346-I660 HydrophobicContact CB-CD1 4.08Å; L346-I660 HydrophobicContact CD1-CB 4.21Å; L346-I660 HydrophobicContact CD1-CG2 3.92Å; L346-I660 PolarHBondContact N-O 3.27Å; L346-I660 PolarHBondContact O-N 3.03Å; V359-I660 HydrophobicContact CG2-CG1 4.27Å; I373-I660 HydrophobicContact CD1-CD1 3.48Å; I373-I660 VanDerWaalsContact CD1-CD1 3.48Å; I373-I660 HydrophobicContact CD1-CG1 4.09Å; I373-I660 HydrophobicContact CD1-CG2 4.31Å; I373-I660 HydrophobicContact CG2-CD1 4.46Å; I652-I660 HydrophobicContact CG2-CG2 3.5Å; I652-I660 VanDerWaalsContact CG2-CG2 3.5Å; A653-I660 CarbonylContact O-C 3.52Å; A653-I660 WeakPolarHBondContact O-CA 3.44Å; A654-I660 HydrophobicContact CB-CB 4.23Å; A654-I660 HydrophobicContact CB-CG1 3.67Å; A654-I660 HydrophobicContact CB-CG2 4.46Å; G658-I660 PolarHBondContact O-N 3.13Å
661	K	95.4	Very high	94.1	Very high	18 Å²	18	12.9 Å²	12.9	8%	0.078	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135	172	-70.7	-177.2	-179	-78.6	0	110.8	A344 T345 F613 F615 D616 I652 A653 T659 L663	A344-K661 WeakPolarHBondContact O-CA 3.17Å; T345-K661 HydrophobicContact CG2-CG 4.04Å; T345-K661 PolarHBondContact OG1-NZ 2.99Å; F613-K661 HydrophobicContact CE1-CD 3.78Å; F613-K661 HydrophobicContact CZ-CD 3.63Å; F615-K661 HydrophobicContact CD1-CD 4.24Å; F615-K661 HydrophobicContact CE1-CB 4.24Å; F615-K661 HydrophobicContact CE1-CD 4.17Å; F615-K661 HydrophobicContact CE1-CG 4.11Å; D616-K661 IonicContact OD2-NZ 2.67Å; D616-K661 PolarHBondContact OD2-NZ 3.12Å; I652-K661 WeakPolarHBondContact CA-O 3.36Å; A653-K661 PolarHBondContact N-O 3.01Å; A653-K661 PolarHBondContact O-N 3.24Å; T659-K661 HydrophobicContact CG2-CG 4.5Å; K661-L663 HydrophobicContact CB-CD2 3.89Å; K661-L663 HydrophobicContact CB-CG 4.2Å
662	V	95.9	Very high	94	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.4	166.1	-174.4	0	0	0	0	107	P342 L343 A344 L346 Y385 V388 I389 V650 I652	P342-V662 WeakPolarHBondContact CA-O 3.46Å; L343-V662 HydrophobicContact CB-CB 4.28Å; L343-V662 HydrophobicContact CB-CG1 4.17Å; L343-V662 HydrophobicContact CD1-CG1 4.18Å; L343-V662 PolarHBondContact N-O 3.3Å; A344-V662 HydrophobicContact CB-CB 4.23Å; A344-V662 HydrophobicContact CB-CG2 4.02Å; A344-V662 PolarHBondContact O-N 3.25Å; L346-V662 HydrophobicContact CD1-CG2 4.28Å; Y385-V662 HydrophobicContact CE2-CG1 3.93Å; V388-V662 HydrophobicContact CG1-CG2 4.13Å; I389-V662 HydrophobicContact CG2-CG1 4.14Å; V650-V662 HydrophobicContact CG1-CG1 3.75Å; I652-V662 HydrophobicContact CD1-CG2 4.16Å; I652-V662 HydrophobicContact CG1-CG1 4.41Å; I652-V662 HydrophobicContact CG1-CG2 4.13Å
663	L	95.9	Very high	93.7	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.9	-169.9	-59.2	176.6	0	0	0	110.7	P342 L599 F613 V650 L651 A653 K661	P342-L663 HydrophobicContact CB-CD2 4.18Å; P342-L663 HydrophobicContact CG-CD2 4.11Å; L599-L663 HydrophobicContact CD2-CD1 3.72Å; F613-L663 HydrophobicContact CB-CD1 4.38Å; F613-L663 HydrophobicContact CD1-CD1 3.63Å; F613-L663 HydrophobicContact CD1-CD2 4.19Å; F613-L663 HydrophobicContact CD2-CD2 4.16Å; F613-L663 HydrophobicContact CE1-CD1 4.07Å; F613-L663 HydrophobicContact CE1-CD2 3.94Å; F613-L663 HydrophobicContact CE2-CD2 3.92Å; F613-L663 HydrophobicContact CG-CD1 3.91Å; F613-L663 HydrophobicContact CG-CD2 4.3Å; F613-L663 HydrophobicContact CZ-CD2 3.81Å; V650-L663 WeakPolarHBondContact CA-O 3.39Å; L651-L663 HydrophobicContact CD1-CB 3.95Å; L651-L663 HydrophobicContact CD1-CD1 3.96Å; L651-L663 HydrophobicContact CD1-CG 4.39Å; L651-L663 HydrophobicContact CG-CB 4.4Å; L651-L663 PolarHBondContact N-O 3.09Å; L651-L663 PolarHBondContact O-N 3.19Å; A653-L663 HydrophobicContact CB-CD1 4.3Å; K661-L663 HydrophobicContact CB-CD2 3.89Å; K661-L663 HydrophobicContact CB-CG 4.2Å
664	E	94.6	Very high	93.4	Very high	57 Å²	57	15.6 Å²	15.6	27%	0.266	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136.4	172.7	178.6	-178.7	-126.9	0	0	110.6	V340 R341 L343 N649 V650 V666	V340-E664 CarbonylContact C-O 3.58Å; V340-E664 WeakPolarHBondContact CA-O 3.33Å; R341-E664 HydrophobicContact CB-CB 4.38Å; R341-E664 PolarHBondContact N-O 3.39Å; R341-E664 PolarHBondContact O-N 2.74Å; L343-E664 HydrophobicContact CD1-CB 4.1Å; L343-E664 HydrophobicContact CD2-CB 4Å; L343-E664 HydrophobicContact CG-CB 4.01Å; N649-E664 CarbonylContact O-C 3.6Å; V650-E664 HydrophobicContact CG2-CB 4.35Å; V650-E664 HydrophobicContact CG2-CG 4.49Å; E664-V666 HydrophobicContact CG-CG2 4.06Å
665	L	92.2	Very high	93.1	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.021	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.2	173.1	-54.9	-171.6	0	0	0	110.6	Y337 V340 L601 L611 W640 N649 L651	Y337-L665 HydrophobicContact CD1-CB 3.5Å; Y337-L665 VanDerWaalsContact CD1-CB 3.5Å; Y337-L665 HydrophobicContact CD2-CB 4.19Å; Y337-L665 HydrophobicContact CD2-CD1 3.78Å; Y337-L665 HydrophobicContact CE1-CB 3.72Å; Y337-L665 HydrophobicContact CE2-CB 4.36Å; Y337-L665 HydrophobicContact CE2-CD1 3.79Å; Y337-L665 HydrophobicContact CG-CB 3.75Å; Y337-L665 HydrophobicContact CG-CD1 4.17Å; V340-L665 HydrophobicContact CG1-CD2 3.65Å; L601-L665 HydrophobicContact CD2-CD1 3.57Å; L601-L665 HydrophobicContact CD2-CD2 4.28Å; L611-L665 HydrophobicContact CD1-CD2 4.45Å; L611-L665 HydrophobicContact CD2-CD2 4.45Å; W640-L665 HydrophobicContact CH2-CD1 3.56Å; W640-L665 HydrophobicContact CZ3-CD1 3.78Å; N649-L665 HydrophobicContact CB-CB 4.37Å; N649-L665 WeakPolarHBondContact O-CB 3.47Å; N649-L665 WeakPolarHBondContact O-CG 3.37Å; N649-L665 PolarHBondContact O-N 2.94Å; L651-L665 HydrophobicContact CD2-CD2 4.48Å
666	V	84.7	Confident	92.9	Very high	35 Å²	35	18.5 Å²	18.5	21%	0.212	10%	0.097	C	C	.	.			trans	-130	0	-165.4	-178.8	0	0	0	0	110.6	W283 N338 S339 R341 E664	W283-V666 HydrophobicContact CH2-CG1 3.61Å; W283-V666 HydrophobicContact CZ2-CG1 3.44Å; W283-V666 VanDerWaalsContact CZ2-CG1 3.44Å; W283-V666 WeakPolarHBondContact CZ2-OXT 3.49Å; W283-V666 PolarHBondContact NE1-OXT 3.43Å; N338-V666 CarbonylContact C-O 3.57Å; N338-V666 PolarHBondContact N-O 2.69Å; N338-V666 VanDerWaalsContact ND2-C 3.33Å; N338-V666 PolarHBondContact ND2-O 3.13Å; N338-V666 PolarHBondContact ND2-OXT 3.41Å; N338-V666 VanDerWaalsContact ND2-OXT 3.09Å; S339-V666 PolarHBondContact N-O 3.25Å; S339-V666 PolarHBondContact O-N 3.32Å; R341-V666 HydrophobicContact CB-CG2 3.97Å; E664-V666 HydrophobicContact CG-CG2 4.06Å

Retrieved 666 of 666 residues in 181.5 ms (Link to these results)

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