A0A087YQM0_POEFO Loading...

Zinc finger protein 319

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087YQM0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 613 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	31.6	Very low	28.7	Very low	250 Å²	250	152 Å²	152	100%	1.232	83%	0.834	S	S	*	*				0	137.2	0	-73	177.5	173.1	0	0	107
2	D	27.5	Very low	29.1	Very low	158 Å²	158	147.2 Å²	147.2	85%	0.845	82%	0.815	S	S	*	*			trans	-81.8	176.3	-172.5	-102.2	-68.3	0	0	0	113.8
3	W	25.6	Very low	29.2	Very low	227 Å²	227	153.8 Å²	153.8	86%	0.86	82%	0.823	S	S	*	*			trans	98.7	93.6	150	-139.1	-107.6	0	0	0	119.7
4	S	26.1	Very low	29.4	Very low	89 Å²	89	151.6 Å²	151.6	62%	0.622	83%	0.825	S	S	*	*				109.5	126.4	119	-76.5	0	0	0	0	123.4
5	T	35	Very low	29.8	Very low	123 Å²	123	158.1 Å²	158.1	76%	0.755	83%	0.833	S	S	*	*			trans	-67.7	162.1	157.1	-15.7	0	0	0	0	112.1
6	P	36.6	Very low	30	Very low	124 Å²	124	154.2 Å²	154.2	81%	0.805	83%	0.83	S	S	*	*				-139	143	92.9	33.9	-19	0	0	0	112.7
7	A	26.9	Very low	30.2	Very low	89 Å²	89	158.6 Å²	158.6	74%	0.736	83%	0.832	S	S	*	*			cis	87.5	87.8	44	0	0	0	0	0	115.3
8	A	27.5	Very low	30.2	Very low	92 Å²	92	160.6 Å²	160.6	76%	0.76	84%	0.839	S	S	*	*			trans	179.1	145.3	152	0	0	0	0	0	109.5
9	K	26.5	Very low	30.6	Very low	205 Å²	205	159.2 Å²	159.2	89%	0.891	84%	0.838	S	S	*	*			cis	-151.8	167.6	-9.3	-107	167.9	-175.3	176.1	0	108.8
10	L	27.1	Very low	30.8	Very low	163 Å²	163	159.8 Å²	159.8	85%	0.853	84%	0.836	S	S	*	*			trans	-79.7	162.8	-166.1	-65.3	135.5	0	0	0	115.6
11	N	25.3	Very low	30.9	Very low	152 Å²	152	156.5 Å²	156.5	81%	0.813	83%	0.832	S	S	*	*			trans	-136.7	126.1	133.7	-163.5	11.3	0	0	0	109.7
12	P	34	Very low	30.8	Very low	94 Å²	94	156.7 Å²	156.7	61%	0.61	82%	0.82	S	S	*	*			trans	-108.4	98.5	-164.7	36.7	-26.8	0	0	0	113.9
13	Y	29.5	Very low	31.3	Very low	234 Å²	234	157.6 Å²	157.6	92%	0.918	82%	0.819	S	S	*	*			trans	-149.5	53.2	174.3	-110.7	-79.3	0	0	0	113.9
14	S	32.4	Very low	31.7	Very low	122 Å²	122	155 Å²	155	85%	0.853	82%	0.816	S	S	*	*	S	Bend	trans	-153.7	24.9	178.3	69.5	0	0	0	0	116.2
15	R	35.1	Very low	31.9	Very low	250 Å²	250	160.6 Å²	160.6	94%	0.943	83%	0.832	S	S	*	*	S	Bend	trans	-143.4	49.2	180	-153.4	174.3	-175	155.2	1.3	115.1
16	A	33.7	Very low	32	Very low	95 Å²	95	159.5 Å²	159.5	79%	0.785	84%	0.835	S	S	*	*	S	Bend	trans	-156	78.7	167.7	0	0	0	0	0	112.2
17	R	32.4	Very low	31.7	Very low	229 Å²	229	160 Å²	160	86%	0.864	84%	0.836	S	S	*	*			trans	164.3	88.8	152.8	-97.8	-178.1	174.7	-170.9	-0.5	109.8
18	M	30.6	Very low	31.9	Very low	194 Å²	194	159.6 Å²	159.6	96%	0.956	83%	0.833	S	S	*	*	S	Bend	trans	-147.8	24.7	165.5	-133.9	-175.9	-69.1	0	0	112.7
19	T	38.8	Very low	32.2	Very low	135 Å²	135	161 Å²	161	83%	0.828	83%	0.834	S	S	*	*	S	Bend	trans	-124.9	1.6	-175.5	39.9	0	0	0	0	114.2
20	E	34.4	Very low	32.6	Very low	171 Å²	171	156.3 Å²	156.3	80%	0.799	82%	0.824	S	S	*	*	S	Bend	trans	-138.1	83.7	179.1	-67.6	-178.7	126.1	0	0	110.5
21	A	31.9	Very low	32.6	Very low	91 Å²	91	154.2 Å²	154.2	75%	0.752	82%	0.821	S	S	*	*			trans	-157	12.5	173.4	0	0	0	0	0	114.6
22	W	30.8	Very low	32.9	Very low	254 Å²	254	152.4 Å²	152.4	96%	0.962	82%	0.815	S	S	*	*	S	Bend	trans	-131.2	27.5	-175.7	-99.5	65.4	0	0	0	114.3
23	Q	37.3	Very low	32.6	Very low	177 Å²	177	153.6 Å²	153.6	83%	0.827	82%	0.82	S	S	*	*	S	Bend	trans	-121.2	140.1	150.4	-87.2	100.8	-1.2	0	0	108.4
24	Q	33.7	Very low	32.5	Very low	173 Å²	173	150.1 Å²	150.1	81%	0.808	81%	0.812	S	S	*	*			trans	102.8	64.7	-179.3	-58.4	172.9	10.7	0	0	117.1
25	H	30.9	Very low	32.3	Very low	206 Å²	206	150.4 Å²	150.4	95%	0.954	81%	0.808	S	S	*	*			trans	-148.7	63.2	144.4	-85.5	-55.8	0	0	0	110.5
26	A	35.5	Very low	32	Very low	100 Å²	100	145.6 Å²	145.6	83%	0.826	80%	0.8	S	S	*	*			trans	-147.2	53.8	169.3	0	0	0	0	0	109.7
27	V	31.9	Very low	31.7	Very low	134 Å²	134	147 Å²	147	81%	0.812	80%	0.801	S	S	*	*			trans	-135.1	127.5	173.7	-175.5	0	0	0	0	107.1
28	A	31.5	Very low	31.4	Very low	81 Å²	81	141.3 Å²	141.3	67%	0.669	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.6	147.8	175.2	0	0	0	0	0	110.4
29	P	32.3	Very low	31.1	Very low	122 Å²	122	135.8 Å²	135.8	79%	0.792	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-63.6	132.7	174	27.1	-33.3	0	0	0	110.1
30	P	34.5	Very low	30.5	Very low	105 Å²	105	134 Å²	134	68%	0.682	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-70.3	153.7	173.2	30.3	-34.5	0	0	0	110.7	V32	P30-V32 PolarHBondContact O-N 2.92Å
31	P	29	Very low	30.1	Very low	120 Å²	120	133.8 Å²	133.8	78%	0.779	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-69	122.8	176	28.8	-33.3	0	0	0	110.3	V33	P31-V33 PolarHBondContact O-N 3.19Å
32	V	30	Very low	30	Very low	113 Å²	113	136.3 Å²	136.3	69%	0.685	79%	0.794	S	S	*	*			trans	-76.2	104.8	173	179.4	0	0	0	0	108.8	P30 H34	P30-V32 PolarHBondContact O-N 2.92Å; V32-H34 PolarHBondContact O-N 3.28Å
33	V	27.6	Very low	29.7	Very low	119 Å²	119	128.2 Å²	128.2	72%	0.721	78%	0.782	S	S	*	*			trans	-78.1	109.6	168.1	177.7	0	0	0	0	108.1	P31 T35	P31-V33 PolarHBondContact O-N 3.19Å; V33-T35 HydrophobicContact CG1-CG2 4.49Å; V33-T35 PolarHBondContact O-N 2.76Å
34	H	27.9	Very low	29.3	Very low	161 Å²	161	127.6 Å²	127.6	75%	0.745	78%	0.783	S	S	*	*			trans	-84.2	101.1	168.8	-80.1	-72.1	0	0	0	110.1	V32	V32-H34 PolarHBondContact O-N 3.28Å
35	T	28.2	Very low	28.9	Very low	128 Å²	128	123.9 Å²	123.9	79%	0.785	78%	0.777	S	S	*	*			trans	-76.7	121.4	163.1	34.6	0	0	0	0	109.8	V33	V33-T35 HydrophobicContact CG1-CG2 4.49Å; V33-T35 PolarHBondContact O-N 2.76Å
36	I	29.5	Very low	28.7	Very low	149 Å²	149	120.4 Å²	120.4	76%	0.764	77%	0.774	S	S	*	*			trans	-109.3	124	175.4	-60.8	175.6	0	0	0	108.2
37	P	26.9	Very low	28.3	Very low	124 Å²	124	120 Å²	120	81%	0.805	77%	0.77	S	S	*	*			trans	-70.7	143.3	168.7	-18.1	32.7	0	0	0	112
38	A	25.7	Very low	27.9	Very low	111 Å²	111	119.8 Å²	119.8	92%	0.917	77%	0.769	S	S	*	*			trans	-81.1	152.3	-170.4	0	0	0	0	0	114.7
39	G	25.6	Very low	27.6	Very low	77 Å²	77	126.6 Å²	126.6	79%	0.794	78%	0.779	S	S	*	*			trans	176	101.9	169.3	0	0	0	0	0	114.9
40	A	25.9	Very low	27.2	Very low	97 Å²	97	123.6 Å²	123.6	80%	0.802	77%	0.771	S	S	*	*			trans	72.1	86.6	160.2	0	0	0	0	0	121.4
41	E	26.4	Very low	26.7	Very low	167 Å²	167	126.5 Å²	126.5	78%	0.78	78%	0.779	S	S	*	*				70.1	114.2	120.5	-49.9	-133.7	156.3	0	0	123.5
42	N	28.6	Very low	26.6	Very low	144 Å²	144	126.8 Å²	126.8	77%	0.77	78%	0.778	S	S	*	*			trans	71.2	135.2	139.5	-55.3	-25.8	0	0	0	120.1
43	A	25.3	Very low	26.3	Very low	85 Å²	85	129.2 Å²	129.2	70%	0.702	79%	0.786	S	S	*	*			cis	-164.1	178.4	-9.9	0	0	0	0	0	110.6
44	L	28.7	Very low	26.2	Very low	163 Å²	163	131.9 Å²	131.9	85%	0.853	79%	0.791	S	S	*	*			trans	78.2	76.6	173.9	-51.7	173.1	0	0	0	115.9
45	S	24.6	Very low	26.7	Very low	96 Å²	96	129 Å²	129	67%	0.671	79%	0.786	S	S	*	*				91.2	106.3	71.1	69.7	0	0	0	0	115.4
46	C	26.9	Very low	26.4	Very low	132 Å²	132	129.9 Å²	129.9	89%	0.892	79%	0.786	S	S	*	*				59.8	142.1	128.2	-62.2	0	0	0	0	121.1
47	A	26.3	Very low	26.1	Very low	91 Å²	91	126.8 Å²	126.8	75%	0.752	78%	0.783	S	S	*	*			cis	-159.4	158.7	-10.5	0	0	0	0	0	110.6
48	V	24.5	Very low	26	Very low	130 Å²	130	126.3 Å²	126.3	79%	0.788	78%	0.782	S	S	*	*			trans	-81.9	139	166.7	172.5	0	0	0	0	109.2
49	Y	25.4	Very low	25.9	Very low	224 Å²	224	125.5 Å²	125.5	88%	0.878	77%	0.77	S	S	*	*			trans	-157.4	142	138.7	-99.3	-70.3	0	0	0	110
50	G	24	Very low	25.9	Very low	60 Å²	60	128.5 Å²	128.5	62%	0.619	77%	0.767	S	S	*	*			trans	-123.7	156.8	158.7	0	0	0	0	0	108.9
51	I	24.7	Very low	26	Very low	166 Å²	166	130.2 Å²	130.2	85%	0.851	76%	0.759	S	S	*	*			trans	-164.6	151.1	151.9	-100.9	149.6	0	0	0	108.2
52	V	25.8	Very low	26	Very low	126 Å²	126	130.7 Å²	130.7	76%	0.764	76%	0.761	S	S	*	*			trans	-74.2	146.6	-179.4	170.1	0	0	0	0	111.3
53	L	22.7	Very low	26	Very low	164 Å²	164	131.1 Å²	131.1	86%	0.859	76%	0.758	S	S	*	*			trans	-174.4	150.1	134.8	-97.8	163	0	0	0	112.2
54	Q	26.5	Very low	26	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	75%	0.754	S	S	*	*			trans	-129.2	167.2	168.7	-102.1	-171.2	-10.9	0	0	106.3
55	P	38.9	Very low	25.9	Very low	100 Å²	100	128.2 Å²	128.2	65%	0.649	76%	0.756	S	S	*	*			cis	-134.8	-160.9	-8.7	35	-12.7	0	0	0	113.3
56	D	22.4	Very low	25.9	Very low	147 Å²	147	126.9 Å²	126.9	79%	0.786	76%	0.757	S	S	*	*			trans	83.6	108.2	149.8	-68.8	-15.9	0	0	0	123.6
57	A	22.7	Very low	26	Very low	84 Å²	84	128.9 Å²	128.9	69%	0.694	75%	0.753	S	S	*	*				81.2	140.4	117.1	0	0	0	0	0	122
58	S	23.4	Very low	25.9	Very low	113 Å²	113	131.1 Å²	131.1	79%	0.79	75%	0.748	S	S	*	*			trans	81.2	134.7	163.6	-42.6	0	0	0	0	115.2
59	S	25.1	Very low	26	Very low	94 Å²	94	132.8 Å²	132.8	66%	0.657	75%	0.747	S	S	*	*			cis	-173.2	162.8	2.6	-124.9	0	0	0	0	113.9
60	L	25.6	Very low	26	Very low	141 Å²	141	126.6 Å²	126.6	74%	0.738	74%	0.742	S	S	*	*			trans	68	147.4	153.5	-57.4	158.5	0	0	0	117.3
61	Q	26.9	Very low	26.1	Very low	132 Å²	132	127.3 Å²	127.3	62%	0.617	75%	0.75	S	S	*	*			cis	-154.8	157.8	-10.4	-130.6	161.5	-36.2	0	0	105.2	H63	Q61-H63 PolarHBondContact NE2-NE2 3.17Å
62	Q	27.3	Very low	26.1	Very low	177 Å²	177	123.8 Å²	123.8	83%	0.827	75%	0.745	S	S	*	*				-155.1	141.7	63.5	-76.4	-174.4	-1.2	0	0	112.8
63	H	28	Very low	26.1	Very low	153 Å²	153	125.7 Å²	125.7	71%	0.708	75%	0.746	S	S	*	*			trans	28	132.8	132.7	-63.7	-94.6	0	0	0	120.1	Q61	Q61-H63 PolarHBondContact NE2-NE2 3.17Å
64	G	25.7	Very low	26.3	Very low	60 Å²	60	124.6 Å²	124.6	62%	0.619	74%	0.736	S	S	*	*			cis	168.9	168	-2.9	0	0	0	0	0	113.4
65	S	25.6	Very low	26.3	Very low	128 Å²	128	124.5 Å²	124.5	90%	0.895	74%	0.736	S	S	*	*			trans	34	125.4	154.4	55.6	0	0	0	0	120.1
66	G	25.1	Very low	25.5	Very low	67 Å²	67	124 Å²	124	69%	0.691	74%	0.74	S	S	*	*			cis	140.9	170.1	1.3	0	0	0	0	0	112.3
67	Q	28.3	Very low	25.6	Very low	174 Å²	174	121.2 Å²	121.2	81%	0.813	75%	0.746	S	S	*	*			trans	66.1	154	166.6	-59.2	-176.8	-13.2	0	0	117.1
68	Q	25.5	Very low	25.6	Very low	138 Å²	138	120.5 Å²	120.5	65%	0.645	75%	0.746	S	S	*	*			cis	-166	172.4	-22.5	-108.7	169.1	8.8	0	0	107.6
69	H	27	Very low	25.7	Very low	165 Å²	165	123.4 Å²	123.4	76%	0.764	75%	0.748	S	S	*	*			trans	67.5	133.2	172.1	-62.4	-77.9	0	0	0	116.6
70	A	25	Very low	25.7	Very low	95 Å²	95	126.9 Å²	126.9	79%	0.785	75%	0.753	S	S	*	*			cis	91.2	130.7	30.5	0	0	0	0	0	114.6
71	G	25	Very low	25.7	Very low	75 Å²	75	123.6 Å²	123.6	77%	0.773	75%	0.753	S	S	*	*			trans	116.7	104	-172.3	0	0	0	0	0	110
72	A	24.7	Very low	25.6	Very low	92 Å²	92	126.5 Å²	126.5	76%	0.76	77%	0.767	S	S	*	*			cis	83.7	139.2	48.4	0	0	0	0	0	113.8
73	Q	26.4	Very low	25.5	Very low	166 Å²	166	126.3 Å²	126.3	78%	0.776	77%	0.766	S	S	*	*			trans	71.4	156.8	170.6	-58.8	176.1	-44.9	0	0	116.9
74	Q	26.3	Very low	25.7	Very low	141 Å²	141	124 Å²	124	66%	0.659	77%	0.765	S	S	*	*			cis	-170.4	166.8	-25.9	-105.9	169	1	0	0	107.6
75	H	26.7	Very low	25.5	Very low	173 Å²	173	125.4 Å²	125.4	80%	0.801	77%	0.765	S	S	*	*			trans	63.6	144	168.5	-66.7	-75.2	0	0	0	117.5
76	A	23.9	Very low	25.5	Very low	89 Å²	89	127.9 Å²	127.9	74%	0.736	76%	0.762	S	S	*	*			cis	113.3	120.6	9.6	0	0	0	0	0	113.8
77	G	22.5	Very low	25.5	Very low	89 Å²	89	129.1 Å²	129.1	92%	0.918	77%	0.766	S	S	*	*			trans	81.6	145.1	176	0	0	0	0	0	114.6
78	G	22.9	Very low	25.4	Very low	68 Å²	68	130.5 Å²	130.5	70%	0.701	77%	0.772	S	S	*	*			cis	158	151.1	-8.2	0	0	0	0	0	112.4
79	Q	27.1	Very low	25.5	Very low	175 Å²	175	132.3 Å²	132.3	82%	0.818	78%	0.781	S	S	*	*			trans	69.4	161.6	170.3	-45.4	-173.9	43.1	0	0	114.7
80	Q	24.9	Very low	25.3	Very low	167 Å²	167	130.7 Å²	130.7	78%	0.78	79%	0.788	S	S	*	*			cis	-162.2	148.5	13.5	-149.9	169.9	64	0	0	111.9
81	G	24.2	Very low	25.3	Very low	71 Å²	71	131.2 Å²	131.2	73%	0.732	79%	0.786	S	S	*	*			trans	72.5	162.6	154.1	0	0	0	0	0	119.1
82	Q	25.3	Very low	25.4	Very low	194 Å²	194	136.1 Å²	136.1	91%	0.907	79%	0.794	S	S	*	*			cis	-146.1	150.9	-8.9	-66.4	-175.2	-11.9	0	0	110.7
83	H	24.8	Very low	25.4	Very low	172 Å²	172	141 Å²	141	80%	0.796	80%	0.8	S	S	*	*			trans	-81.2	162.5	162.5	-126	-75.7	0	0	0	108.9
84	P	32.5	Very low	25.7	Very low	106 Å²	106	140 Å²	140	69%	0.688	81%	0.806	S	S	*	*				-154.9	165.6	82.9	40.4	-21	0	0	0	117.9
85	S	22.6	Very low	25.6	Very low	89 Å²	89	136.6 Å²	136.6	62%	0.622	81%	0.809	S	S	*	*			trans	54.9	145.6	140.3	59.7	0	0	0	0	122.2
86	Q	25.2	Very low	25.7	Very low	179 Å²	179	134.4 Å²	134.4	84%	0.836	81%	0.807	S	S	*	*			cis	-159.8	127.2	-8.8	-110.1	167.7	1.6	0	0	105.9
87	A	24.3	Very low	26.6	Very low	94 Å²	94	139.4 Å²	139.4	78%	0.777	82%	0.815	S	S	*	*				66.3	105.7	95.9	0	0	0	0	0	116.5
88	Q	26.3	Very low	27.1	Very low	202 Å²	202	140.6 Å²	140.6	94%	0.944	81%	0.81	S	S	*	*			trans	-150.4	128.4	136.1	-126	171.8	-1.2	0	0	110.6
89	Q	27.5	Very low	28.1	Very low	177 Å²	177	139 Å²	139	83%	0.827	79%	0.793	S	S	*	*			trans	-95.4	156.2	179.3	-71.9	173.3	-31.8	0	0	110.8
90	S	22.9	Very low	29.2	Very low	130 Å²	130	137.4 Å²	137.4	91%	0.909	79%	0.785	S	S	*	*			trans	-143.4	110.1	155	-53.6	0	0	0	0	108
91	S	26	Very low	30.2	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	78%	0.777	S	S	*	*			trans	-91	135.5	-179.8	-57.4	0	0	0	0	111.1
92	L	25.8	Very low	31.3	Very low	179 Å²	179	133.5 Å²	133.5	94%	0.937	75%	0.747	S	S	*	*			trans	-137.3	151.1	157.8	-88.7	174	0	0	0	110.2
93	Q	25.9	Very low	32.1	Very low	193 Å²	193	128.5 Å²	128.5	90%	0.902	75%	0.748	S	S	*	*			trans	-90.5	169.9	-157.5	-75.6	171.2	-55.1	0	0	115.7
94	V	32.3	Very low	32.9	Very low	146 Å²	146	125.2 Å²	125.2	89%	0.885	74%	0.74	S	S	*	*			trans	-57.6	136.8	-173.9	175.8	0	0	0	0	114.2
95	G	23.9	Very low	33.5	Very low	70 Å²	70	122.3 Å²	122.3	72%	0.722	72%	0.722	S	S	*	*			trans	-127.2	129.3	159.3	0	0	0	0	0	110.4
96	T	29.2	Very low	34.8	Very low	126 Å²	126	120.6 Å²	120.6	77%	0.773	72%	0.718	S	S	*	*			trans	-36.7	139.2	-177.8	48.7	0	0	0	0	119.1
97	E	41.8	Very low	35.7	Very low	194 Å²	194	118.5 Å²	118.5	91%	0.907	71%	0.708	S	S	*	*			trans	57.8	75.4	147.4	-59.5	-166.4	147.2	0	0	120.5
98	S	34.1	Very low	37	Very low	115 Å²	115	118 Å²	118	80%	0.804	69%	0.693	S	S	*	*			trans	-157.6	127.2	143.1	65.2	0	0	0	0	112.7
99	G	43.2	Very low	38.5	Very low	33 Å²	33	109.9 Å²	109.9	34%	0.34	66%	0.655	S	S	.	*			trans	-63.9	145.6	171.9	0	0	0	0	0	112.5	K101	G99-K101 PolarHBondContact O-N 3.36Å
100	H	49.9	Very low	39.7	Very low	143 Å²	143	104.1 Å²	104.1	66%	0.662	63%	0.634	S	S	*	*			trans	-68.2	97.6	-177.2	-66.5	88.8	0	0	0	110.6	I109 S110	H100-I109 WeakPolarHBondContact O-CA 3.41Å; H100-I109 WeakPolarHBondContact O-CG1 3.44Å; H100-I109 PolarHBondContact O-N 2.93Å; H100-S110 PolarHBondContact N-OG 3.1Å
101	K	46.4	Very low	41	Very low	141 Å²	141	106.6 Å²	106.6	61%	0.613	63%	0.631	S	S	*	*	B	Isolated β-bridge	trans	-100.3	138.6	-179.8	-68.9	171.1	-172.7	173	0	112.2	G99 G103 H107 D108	G99-K101 PolarHBondContact O-N 3.36Å; K101-G103 PolarHBondContact O-N 3.4Å; K101-H107 CarbonylContact C-O 3.53Å; K101-H107 VanDerWaalsContact CA-O 3.29Å; K101-H107 WeakPolarHBondContact CA-O 3.45Å; K101-D108 HydrophobicContact CG-CB 4.49Å
102	C	46.5	Very low	42	Very low	14 Å²	14	105.8 Å²	105.8	10%	0.095	62%	0.618	C	S	.	*			trans	-66.8	118.2	175.1	-176	0	0	0	0	110.7	T104 C105 G106 H107 I109 H118	C102-T104 PolarHBondContact O-N 3.2Å; C102-T104 VanDerWaalsContact O-N 3.07Å; C102-C105 VanDerWaalsContact CB-SG 3.53Å; C102-C105 PolarHBondContact O-N 2.92Å; C102-C105 VanDerWaalsContact SG-SG 3.66Å; C102-G106 WeakPolarHBondContact O-CA 3.47Å; C102-G106 PolarHBondContact O-N 3.26Å; C102-H107 PolarHBondContact N-O 3.28Å; C102-I109 HydrophobicContact CB-CD1 3.64Å; C102-I109 HydrophobicContact CB-CG1 3.97Å; C102-H118 VanDerWaalsContact SG-CE1 3.53Å
103	G	42.4	Very low	43.1	Very low	90 Å²	90	102.7 Å²	102.7	93%	0.928	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-21.2	179.2	0	0	0	0	0	114.9	K101	K101-G103 PolarHBondContact O-N 3.4Å
104	T	41.4	Very low	43.8	Very low	102 Å²	102	97 Å²	97	63%	0.626	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-24.6	-176.8	-16.4	0	0	0	0	114.4	C102	C102-T104 PolarHBondContact O-N 3.2Å; C102-T104 VanDerWaalsContact O-N 3.07Å
105	C	45.5	Very low	44.3	Very low	46 Å²	46	94.5 Å²	94.5	31%	0.311	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.4	-4.4	-176.5	75	0	0	0	0	115.3	C102 H107 V122	C102-C105 VanDerWaalsContact CB-SG 3.53Å; C102-C105 PolarHBondContact O-N 2.92Å; C102-C105 VanDerWaalsContact SG-SG 3.66Å; C105-H107 PolarHBondContact O-N 3.35Å; C105-V122 HydrophobicContact CB-CG2 4.39Å
106	G	50.7	Low	45.1	Very low	53 Å²	53	98.8 Å²	98.8	55%	0.546	59%	0.586	S	S	.	*			trans	72.8	-1.8	176.3	0	0	0	0	0	116.3	C102	C102-G106 WeakPolarHBondContact O-CA 3.47Å; C102-G106 PolarHBondContact O-N 3.26Å
107	H	44.1	Very low	45.8	Very low	134 Å²	134	100 Å²	100	62%	0.62	58%	0.583	S	S	*	*			trans	-67.8	143.9	176.7	-84.4	102.3	0	0	0	112.1	K101 C102 C105 I109	K101-H107 CarbonylContact C-O 3.53Å; K101-H107 VanDerWaalsContact CA-O 3.29Å; K101-H107 WeakPolarHBondContact CA-O 3.45Å; C102-H107 PolarHBondContact N-O 3.28Å; C105-H107 PolarHBondContact O-N 3.35Å; H107-I109 PolarHBondContact O-N 3.4Å
108	D	50.9	Low	45.9	Very low	85 Å²	85	93.4 Å²	93.4	46%	0.455	55%	0.552	S	S	.	*	B	Isolated β-bridge	trans	-76.8	114.1	171.8	-154.4	-39.9	0	0	0	109.8	K101 S110	K101-D108 HydrophobicContact CG-CB 4.49Å; D108-S110 WeakPolarHBondContact OD1-CB 3.34Å; D108-S110 PolarHBondContact OD1-N 3.06Å; D108-S110 VanDerWaalsContact OD1-N 3.09Å; D108-S110 PolarHBondContact OD1-OG 3.39Å
109	I	58.9	Low	46.4	Very low	30 Å²	30	95.1 Å²	95.1	15%	0.154	55%	0.547	C	S	.	.			trans	-95.2	2.3	-178.8	-26	178.9	0	0	0	111.4	H100 C102 H107 H111 L112 H118	H100-I109 WeakPolarHBondContact O-CA 3.41Å; H100-I109 WeakPolarHBondContact O-CG1 3.44Å; H100-I109 PolarHBondContact O-N 2.93Å; C102-I109 HydrophobicContact CB-CD1 3.64Å; C102-I109 HydrophobicContact CB-CG1 3.97Å; H107-I109 PolarHBondContact O-N 3.4Å; I109-H111 PolarHBondContact O-N 3.49Å; I109-L112 HydrophobicContact CG2-CB 4.12Å; I109-L112 HydrophobicContact CG2-CD1 3.71Å; I109-L112 HydrophobicContact CG2-CG 4.3Å; I109-L112 PolarHBondContact O-N 2.76Å; I109-H118 HydrophobicContact CG2-CB 4.17Å
110	S	52.7	Low	46.2	Very low	56 Å²	56	95 Å²	95	39%	0.392	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-9.3	-172.5	-54.5	0	0	0	0	115.4	H100 D108	H100-S110 PolarHBondContact N-OG 3.1Å; D108-S110 WeakPolarHBondContact OD1-CB 3.34Å; D108-S110 PolarHBondContact OD1-N 3.06Å; D108-S110 VanDerWaalsContact OD1-N 3.09Å; D108-S110 PolarHBondContact OD1-OG 3.39Å
111	H	48.6	Very low	45.5	Very low	183 Å²	183	95.4 Å²	95.4	85%	0.847	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-5.1	176.8	-67.6	-70.1	0	0	0	114.9	I109	I109-H111 PolarHBondContact O-N 3.49Å
112	L	47.5	Very low	45.2	Very low	88 Å²	88	92.9 Å²	92.9	46%	0.461	54%	0.541	S	S	.	.			trans	-99	125.6	178.9	-68.9	171.8	0	0	0	110.9	I109 N114 H118	I109-L112 HydrophobicContact CG2-CB 4.12Å; I109-L112 HydrophobicContact CG2-CD1 3.71Å; I109-L112 HydrophobicContact CG2-CG 4.3Å; I109-L112 PolarHBondContact O-N 2.76Å; L112-N114 PolarHBondContact O-N 3.11Å; L112-H118 HydrophobicContact CD1-CB 4.35Å
113	A	49	Very low	44.6	Very low	114 Å²	114	97.3 Å²	97.3	94%	0.942	57%	0.572	S	S	*	*	S	Bend	trans	-68.4	-16.1	-177.5	0	0	0	0	0	114.1
114	N	39.8	Very low	44.4	Very low	75 Å²	75	100.7 Å²	100.7	40%	0.401	56%	0.564	S	S	.	*			trans	-137.7	111.5	175.6	-170.6	-6.5	0	0	0	110.7	L112 L116 E117	L112-N114 PolarHBondContact O-N 3.11Å; N114-L116 PolarHBondContact O-N 3.34Å; N114-L116 VanDerWaalsContact O-N 3.1Å; N114-L116 PolarHBondContact OD1-N 3.42Å; N114-E117 HydrophobicContact CB-CG 4.49Å; N114-E117 PolarHBondContact O-N 2.81Å
115	P	43.1	Very low	44.5	Very low	93 Å²	93	102 Å²	102	60%	0.604	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-60.3	-19.9	-179.7	-26.1	35.6	0	0	0	114.9	E117 H118	P115-E117 VanDerWaalsContact C-N 3.33Å; P115-E117 PolarHBondContact O-N 3.02Å; P115-H118 PolarHBondContact O-N 3.34Å
116	L	41.8	Very low	44.6	Very low	159 Å²	159	105.4 Å²	105.4	83%	0.832	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-74.6	-17.5	-179.6	-71.5	161.6	0	0	0	113.8	N114 H118	N114-L116 PolarHBondContact O-N 3.34Å; N114-L116 VanDerWaalsContact O-N 3.1Å; N114-L116 PolarHBondContact OD1-N 3.42Å; L116-H118 VanDerWaalsContact C-N 3.33Å
117	E	42.5	Very low	44.6	Very low	152 Å²	152	104.3 Å²	104.3	71%	0.71	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-80.5	-12	175.5	-65.7	-159.3	143.9	0	0	113.4	N114 P115 H119	N114-E117 HydrophobicContact CB-CG 4.49Å; N114-E117 PolarHBondContact O-N 2.81Å; P115-E117 VanDerWaalsContact C-N 3.33Å; P115-E117 PolarHBondContact O-N 3.02Å; E117-H119 VanDerWaalsContact C-N 3.29Å; E117-H119 PolarHBondContact O-N 2.96Å
118	H	45.2	Very low	44.8	Very low	55 Å²	55	99.1 Å²	99.1	26%	0.255	53%	0.533	S	S	.	.			trans	-74.8	81.4	174.9	178.1	-89	0	0	0	110.8	C102 I109 L112 P115 L116 C120	C102-H118 VanDerWaalsContact SG-CE1 3.53Å; I109-H118 HydrophobicContact CG2-CB 4.17Å; L112-H118 HydrophobicContact CD1-CB 4.35Å; P115-H118 PolarHBondContact O-N 3.34Å; L116-H118 VanDerWaalsContact C-N 3.33Å; H118-C120 PolarHBondContact O-N 3.28Å
119	H	43.3	Very low	44.6	Very low	152 Å²	152	98.9 Å²	98.9	70%	0.704	53%	0.529	S	S	*	.			trans	-72.9	90.4	176.1	-162.2	76.4	0	0	0	111.2	E117 M121	E117-H119 VanDerWaalsContact C-N 3.29Å; E117-H119 PolarHBondContact O-N 2.96Å; H119-M121 PolarHBondContact O-N 3.5Å
120	C	39.2	Very low	44.1	Very low	29 Å²	29	97.5 Å²	97.5	20%	0.196	52%	0.522	C	S	.	.			trans	-71.9	91	-179.1	-164.7	0	0	0	0	111.2	H118 V122	H118-C120 PolarHBondContact O-N 3.28Å; C120-V122 PolarHBondContact O-N 2.96Å
121	M	36.6	Very low	43.8	Very low	153 Å²	153	98.4 Å²	98.4	75%	0.754	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	30.1	178.9	-61.4	-172.5	-64.3	0	0	114.8	H119 S123	H119-M121 PolarHBondContact O-N 3.5Å; M121-S123 VanDerWaalsContact C-N 3.3Å
122	V	39.2	Very low	43.6	Very low	87 Å²	87	96 Å²	96	53%	0.527	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-17.1	174.1	176.2	0	0	0	0	111.3	C105 C120	C105-V122 HydrophobicContact CB-CG2 4.39Å; C120-V122 PolarHBondContact O-N 2.96Å
123	S	35.2	Very low	43.7	Very low	108 Å²	108	94.6 Å²	94.6	76%	0.755	51%	0.511	S	S	*	.			trans	-121.9	56.1	-177.1	54.1	0	0	0	0	113.6	M121	M121-S123 VanDerWaalsContact C-N 3.3Å
124	Q	37.6	Very low	43.5	Very low	160 Å²	160	94.6 Å²	94.6	75%	0.748	50%	0.495	S	S	*	.	S	Bend	trans	-122.8	135.1	143.5	-75.7	-174	-8.7	0	0	107	R126	Q124-R126 PolarHBondContact O-N 2.94Å
125	D	42.3	Very low	43.8	Very low	130 Å²	130	95.6 Å²	95.6	70%	0.695	50%	0.496	S	S	*	.			trans	-51.4	110.3	-160.1	-70.4	-71.2	0	0	0	114.1	S127	D125-S127 PolarHBondContact O-N 3.26Å
126	R	49.4	Very low	43.9	Very low	117 Å²	117	95.5 Å²	95.5	44%	0.442	49%	0.489	S	S	.	.			trans	-72.5	82	168.2	-66.7	-170.8	91.1	-179.5	5.3	108.4	Q124 F128 L335 L336	Q124-R126 PolarHBondContact O-N 2.94Å; R126-F128 WeakPolarHBondContact O-CD2 3.36Å; R126-F128 WeakPolarHBondContact O-CE2 3.34Å; R126-L335 PolarHBondContact NH2-O 3.11Å; R126-L336 PolarHBondContact NH1-O 3.32Å
127	S	49.9	Very low	44.4	Very low	31 Å²	31	89.2 Å²	89.2	22%	0.217	46%	0.455	C	S	.	.			trans	-97.6	123	-166.9	84.2	0	0	0	0	110.9	D125 I136 F137	D125-S127 PolarHBondContact O-N 3.26Å; S127-I136 WeakPolarHBondContact OG-CG2 3.39Å; S127-F137 CarbonylContact C-O 3.56Å; S127-F137 WeakPolarHBondContact CA-O 3.42Å
128	F	49	Very low	44.5	Very low	24 Å²	24	87.2 Å²	87.2	11%	0.105	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.5	-174.3	-58.3	-86.4	0	0	0	109	R126 F137 Q139 A140 L143 F320 L335	R126-F128 WeakPolarHBondContact O-CD2 3.36Å; R126-F128 WeakPolarHBondContact O-CE2 3.34Å; F128-F137 HydrophobicContact CB-CB 4.42Å; F128-F137 WeakPolarHBondContact CD2-O 3.5Å; F128-F137 PolarHBondContact N-O 3.46Å; F128-F137 PolarHBondContact O-N 3.41Å; F128-Q139 VanDerWaalsContact CD2-C 3.47Å; F128-A140 HydrophobicContact CD1-CB 4.08Å; F128-A140 HydrophobicContact CE1-CB 3.79Å; F128-A140 HydrophobicContact CE2-CB 4.28Å; F128-A140 HydrophobicContact CG-CB 4.45Å; F128-A140 HydrophobicContact CZ-CB 3.9Å; F128-L143 HydrophobicContact CB-CB 4.29Å; F128-L143 HydrophobicContact CB-CD2 3.82Å; F128-F320 HydrophobicContact CD1-CD1 4.39Å; F128-L335 HydrophobicContact CD1-CD2 4.46Å; F128-L335 HydrophobicContact CE1-CD2 4.13Å
129	Q	44.9	Very low	44.6	Very low	80 Å²	80	89.9 Å²	89.9	37%	0.374	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.4	-176.9	-165.1	174.1	18.5	0	0	111.6	T131 L134 K135 I136	Q129-T131 PolarHBondContact O-N 3.21Å; Q129-L134 WeakPolarHBondContact CG-O 3.42Å; Q129-L134 PolarHBondContact NE2-O 2.98Å; Q129-K135 WeakPolarHBondContact CA-O 3.29Å; Q129-I136 HydrophobicContact CB-CG1 4.48Å; Q129-I136 HydrophobicContact CG-CG1 4.14Å
130	C	49	Very low	44.7	Very low	1 Å²	1	83.6 Å²	83.6	1%	0.007	44%	0.436	C	S	.	.			trans	-73.7	123.1	170.3	-174.4	0	0	0	0	110.3	Q132 C133 L134 K135 F137 L143	C130-Q132 VanDerWaalsContact C-N 3.26Å; C130-Q132 PolarHBondContact O-N 3.11Å; C130-C133 VanDerWaalsContact CB-SG 3.51Å; C130-C133 VanDerWaalsContact SG-SG 3.61Å; C130-L134 WeakPolarHBondContact O-CA 3.39Å; C130-L134 PolarHBondContact O-N 3.34Å; C130-K135 PolarHBondContact N-O 2.95Å; C130-F137 HydrophobicContact CB-CE2 4.28Å; C130-L143 HydrophobicContact CB-CD1 3.48Å; C130-L143 VanDerWaalsContact CB-CD1 3.48Å
131	T	45.9	Very low	45.1	Very low	76 Å²	76	86.1 Å²	86.1	47%	0.466	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.1	179.4	53.6	0	0	0	0	113.4	Q129	Q129-T131 PolarHBondContact O-N 3.21Å
132	Q	45.2	Very low	45.7	Very low	133 Å²	133	81.3 Å²	81.3	62%	0.621	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-25.9	-174	-53.7	-50.1	87.3	0	0	114.2	C130	C130-Q132 VanDerWaalsContact C-N 3.26Å; C130-Q132 PolarHBondContact O-N 3.11Å
133	C	48.7	Very low	46.5	Very low	57 Å²	57	77.3 Å²	77.3	39%	0.385	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.4	3.7	-176	71.7	0	0	0	0	113.7	C130 K135 H146	C130-C133 VanDerWaalsContact CB-SG 3.51Å; C130-C133 VanDerWaalsContact SG-SG 3.61Å; C133-K135 PolarHBondContact O-N 3.46Å; C133-K135 VanDerWaalsContact SG-CB 3.57Å; C133-H146 PolarHBondContact SG-NE2 3.27Å
134	L	46.7	Very low	47.1	Very low	114 Å²	114	76.1 Å²	76.1	60%	0.597	39%	0.389	S	S	*	.			trans	56.4	7.5	-179.5	-56.6	178.6	0	0	0	115.7	Q129 C130	Q129-L134 WeakPolarHBondContact CG-O 3.42Å; Q129-L134 PolarHBondContact NE2-O 2.98Å; C130-L134 WeakPolarHBondContact O-CA 3.39Å; C130-L134 PolarHBondContact O-N 3.34Å
135	K	45.4	Very low	47.9	Very low	96 Å²	96	75.1 Å²	75.1	42%	0.417	38%	0.384	S	S	.	.			trans	-71.9	138.3	-179.9	-166.3	170.8	-174	175.5	0	111.4	Q129 C130 C133 F137	Q129-K135 WeakPolarHBondContact CA-O 3.29Å; C130-K135 PolarHBondContact N-O 2.95Å; C133-K135 PolarHBondContact O-N 3.46Å; C133-K135 VanDerWaalsContact SG-CB 3.57Å; K135-F137 HydrophobicContact CB-CE2 3.98Å; K135-F137 HydrophobicContact CB-CZ 4.35Å; K135-F137 HydrophobicContact CD-CE2 4.45Å; K135-F137 HydrophobicContact CD-CZ 4.01Å; K135-F137 HydrophobicContact CG-CE2 4.05Å; K135-F137 HydrophobicContact CG-CZ 4.08Å; K135-F137 WeakPolarHBondContact O-CD2 3.44Å; K135-F137 WeakPolarHBondContact O-CE2 3.37Å
136	I	45.6	Very low	48.7	Very low	92 Å²	92	69.5 Å²	69.5	47%	0.472	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.8	-172.8	-61.1	178.6	0	0	0	109.7	S127 Q129	S127-I136 WeakPolarHBondContact OG-CG2 3.39Å; Q129-I136 HydrophobicContact CB-CG1 4.48Å; Q129-I136 HydrophobicContact CG-CG1 4.14Å
137	F	52.5	Low	48.7	Very low	26 Å²	26	65 Å²	65	11%	0.114	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.7	-178.7	-63.1	-93.5	0	0	0	110.8	S127 F128 C130 K135 D142 L143 H146	S127-F137 CarbonylContact C-O 3.56Å; S127-F137 WeakPolarHBondContact CA-O 3.42Å; F128-F137 HydrophobicContact CB-CB 4.42Å; F128-F137 WeakPolarHBondContact CD2-O 3.5Å; F128-F137 PolarHBondContact N-O 3.46Å; F128-F137 PolarHBondContact O-N 3.41Å; C130-F137 HydrophobicContact CB-CE2 4.28Å; K135-F137 HydrophobicContact CB-CE2 3.98Å; K135-F137 HydrophobicContact CB-CZ 4.35Å; K135-F137 HydrophobicContact CD-CE2 4.45Å; K135-F137 HydrophobicContact CD-CZ 4.01Å; K135-F137 HydrophobicContact CG-CE2 4.05Å; K135-F137 HydrophobicContact CG-CZ 4.08Å; K135-F137 WeakPolarHBondContact O-CD2 3.44Å; K135-F137 WeakPolarHBondContact O-CE2 3.37Å; F137-D142 HydrophobicContact CB-CB 4.5Å; F137-D142 HydrophobicContact CD1-CB 3.94Å; F137-L143 HydrophobicContact CB-CB 4.29Å; F137-L143 HydrophobicContact CD2-CB 4.09Å; F137-L143 HydrophobicContact CD2-CD1 3.81Å; F137-L143 HydrophobicContact CE2-CD1 3.93Å; F137-L143 HydrophobicContact CG-CB 4.22Å; F137-H146 HydrophobicContact CE1-CB 3.94Å; F137-H146 HydrophobicContact CE2-CB 4.27Å; F137-H146 AromaticContact CE2-CD2 3.87Å; F137-H146 AromaticContact CE2-CG 3.97Å; F137-H146 HydrophobicContact CZ-CB 3.6Å; F137-H146 AromaticContact CZ-CD2 3.69Å; F137-H146 AromaticContact CZ-CG 3.34Å; F137-H146 AromaticContact CZ-ND1 3.65Å
138	N	44.1	Very low	48.5	Very low	110 Å²	110	65.9 Å²	65.9	59%	0.588	34%	0.343	S	S	*	.	S	Bend	trans	-94.5	-4.6	-176.1	-63.2	6.1	0	0	0	113
139	Q	47.5	Very low	48.5	Very low	112 Å²	112	66.1 Å²	66.1	52%	0.523	35%	0.346	S	S	.	.	S	Bend	trans	-137.7	142.8	174.4	-52.4	175.6	104.5	0	0	110.6	F128 T141 D142 L143	F128-Q139 VanDerWaalsContact CD2-C 3.47Å; Q139-T141 PolarHBondContact O-N 2.91Å; Q139-D142 PolarHBondContact NE2-OD1 2.71Å; Q139-D142 PolarHBondContact NE2-OD2 3.49Å; Q139-D142 PolarHBondContact O-N 3.37Å; Q139-L143 PolarHBondContact O-N 3.5Å
140	A	45.4	Very low	48.5	Very low	19 Å²	19	67.4 Å²	67.4	16%	0.157	35%	0.352	C	S	.	.	H	α-helix	trans	-67.4	-23.1	-180	0	0	0	0	0	113.6	F128 L144 F320	F128-A140 HydrophobicContact CD1-CB 4.08Å; F128-A140 HydrophobicContact CE1-CB 3.79Å; F128-A140 HydrophobicContact CE2-CB 4.28Å; F128-A140 HydrophobicContact CG-CB 4.45Å; F128-A140 HydrophobicContact CZ-CB 3.9Å; A140-L144 WeakPolarHBondContact O-CB 3.46Å; A140-L144 PolarHBondContact O-N 3.06Å; A140-F320 HydrophobicContact CB-CE1 4.27Å
141	T	47.6	Very low	48.3	Very low	82 Å²	82	73.4 Å²	73.4	50%	0.503	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-44.4	172.1	41.4	0	0	0	0	111.4	Q139 L144 E145	Q139-T141 PolarHBondContact O-N 2.91Å; T141-L144 WeakPolarHBondContact O-CB 3.35Å; T141-L144 PolarHBondContact O-N 3.18Å; T141-L144 VanDerWaalsContact O-N 3.11Å; T141-E145 PolarHBondContact O-N 2.88Å
142	D	49.5	Very low	48.3	Very low	53 Å²	53	73.4 Å²	73.4	28%	0.283	38%	0.384	S	S	.	.	H	α-helix	trans	-74.2	-35.5	-169.9	-48	-4	0	0	0	109.9	F137 Q139 H146	F137-D142 HydrophobicContact CB-CB 4.5Å; F137-D142 HydrophobicContact CD1-CB 3.94Å; Q139-D142 PolarHBondContact NE2-OD1 2.71Å; Q139-D142 PolarHBondContact NE2-OD2 3.49Å; Q139-D142 PolarHBondContact O-N 3.37Å; D142-H146 VanDerWaalsContact O-CB 3.22Å; D142-H146 WeakPolarHBondContact O-CB 3.18Å; D142-H146 PolarHBondContact O-N 2.81Å
143	L	55.8	Low	48.5	Very low	3 Å²	3	76.5 Å²	76.5	2%	0.016	40%	0.398	C	S	.	.	H	α-helix	trans	-63.4	-42.2	168.3	176.7	60.2	0	0	0	111.9	F128 C130 F137 Q139 H146 Q147	F128-L143 HydrophobicContact CB-CB 4.29Å; F128-L143 HydrophobicContact CB-CD2 3.82Å; C130-L143 HydrophobicContact CB-CD1 3.48Å; C130-L143 VanDerWaalsContact CB-CD1 3.48Å; F137-L143 HydrophobicContact CB-CB 4.29Å; F137-L143 HydrophobicContact CD2-CB 4.09Å; F137-L143 HydrophobicContact CD2-CD1 3.81Å; F137-L143 HydrophobicContact CE2-CD1 3.93Å; F137-L143 HydrophobicContact CG-CB 4.22Å; Q139-L143 PolarHBondContact O-N 3.5Å; L143-H146 PolarHBondContact O-N 3.26Å; L143-Q147 HydrophobicContact CD1-CG 4.02Å; L143-Q147 WeakPolarHBondContact O-CB 3.26Å; L143-Q147 WeakPolarHBondContact O-CG 3.43Å; L143-Q147 PolarHBondContact O-N 2.77Å
144	L	47.8	Very low	48.7	Very low	83 Å²	83	75.8 Å²	75.8	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-68.2	-39.4	-179.2	-172.7	66.9	0	0	0	111.8	A140 T141 C148	A140-L144 WeakPolarHBondContact O-CB 3.46Å; A140-L144 PolarHBondContact O-N 3.06Å; T141-L144 WeakPolarHBondContact O-CB 3.35Å; T141-L144 PolarHBondContact O-N 3.18Å; T141-L144 VanDerWaalsContact O-N 3.11Å; L144-C148 VanDerWaalsContact O-CB 3.28Å; L144-C148 WeakPolarHBondContact O-CB 3.21Å; L144-C148 PolarHBondContact O-N 3.41Å
145	E	53.6	Low	49	Very low	139 Å²	139	74.9 Å²	74.9	65%	0.65	39%	0.389	S	S	*	.	H	α-helix	trans	-64.6	-44.8	171.6	-72.1	-171.2	165.4	0	0	111.3	T141 Q147 C148 V149	T141-E145 PolarHBondContact O-N 2.88Å; E145-Q147 PolarHBondContact O-N 2.92Å; E145-C148 PolarHBondContact O-N 2.71Å; E145-V149 WeakPolarHBondContact O-CB 3.44Å; E145-V149 VanDerWaalsContact O-CG2 3.31Å; E145-V149 WeakPolarHBondContact O-CG2 3.05Å; E145-V149 PolarHBondContact O-N 2.98Å
146	H	60.2	Low	49.4	Very low	12 Å²	12	73.8 Å²	73.8	6%	0.056	39%	0.385	C	S	.	.	H	α-helix	trans	-57.8	-45.2	175.6	175.9	78.9	0	0	0	112.5	C133 F137 D142 L143 V149 Q150 M163	C133-H146 PolarHBondContact SG-NE2 3.27Å; F137-H146 HydrophobicContact CE1-CB 3.94Å; F137-H146 HydrophobicContact CE2-CB 4.27Å; F137-H146 AromaticContact CE2-CD2 3.87Å; F137-H146 AromaticContact CE2-CG 3.97Å; F137-H146 HydrophobicContact CZ-CB 3.6Å; F137-H146 AromaticContact CZ-CD2 3.69Å; F137-H146 AromaticContact CZ-CG 3.34Å; F137-H146 AromaticContact CZ-ND1 3.65Å; D142-H146 VanDerWaalsContact O-CB 3.22Å; D142-H146 WeakPolarHBondContact O-CB 3.18Å; D142-H146 PolarHBondContact O-N 2.81Å; L143-H146 PolarHBondContact O-N 3.26Å; H146-V149 WeakPolarHBondContact O-CB 3.28Å; H146-V149 PolarHBondContact O-N 2.74Å; H146-Q150 WeakPolarHBondContact O-CG 3.37Å; H146-Q150 PolarHBondContact O-N 3.27Å; H146-M163 HydrophobicContact CB-CE 4.45Å; H146-M163 VanDerWaalsContact ND1-CE 3.32Å; H146-M163 WeakPolarHBondContact ND1-CE 3.25Å
147	Q	48.3	Very low	49.7	Very low	22 Å²	22	73.2 Å²	73.2	10%	0.103	39%	0.385	C	S	.	.	H	α-helix	trans	-70.5	-36.7	177.1	-72.6	176.3	-17.1	0	0	112.4	L143 E145 V149 Q150 V151	L143-Q147 HydrophobicContact CD1-CG 4.02Å; L143-Q147 WeakPolarHBondContact O-CB 3.26Å; L143-Q147 WeakPolarHBondContact O-CG 3.43Å; L143-Q147 PolarHBondContact O-N 2.77Å; E145-Q147 PolarHBondContact O-N 2.92Å; Q147-V149 PolarHBondContact O-N 2.84Å; Q147-Q150 PolarHBondContact O-N 2.96Å; Q147-Q150 VanDerWaalsContact O-N 3.08Å; Q147-V151 PolarHBondContact O-N 2.8Å
148	C	45.1	Very low	50	Low	50 Å²	50	72 Å²	72	34%	0.338	38%	0.38	S	S	.	.	H	α-helix	trans	-67	-25.4	174.6	-160.5	0	0	0	0	112.5	L144 E145	L144-C148 VanDerWaalsContact O-CB 3.28Å; L144-C148 WeakPolarHBondContact O-CB 3.21Å; L144-C148 PolarHBondContact O-N 3.41Å; E145-C148 PolarHBondContact O-N 2.71Å
149	V	50.3	Low	50.2	Low	28 Å²	28	69.1 Å²	69.1	17%	0.17	38%	0.376	C	S	.	.	H	α-helix	trans	-75.9	-24.8	171.1	165.9	0	0	0	0	112.9	E145 H146 Q147 E152 K154 M163 G164	E145-V149 WeakPolarHBondContact O-CB 3.44Å; E145-V149 VanDerWaalsContact O-CG2 3.31Å; E145-V149 WeakPolarHBondContact O-CG2 3.05Å; E145-V149 PolarHBondContact O-N 2.98Å; H146-V149 WeakPolarHBondContact O-CB 3.28Å; H146-V149 PolarHBondContact O-N 2.74Å; Q147-V149 PolarHBondContact O-N 2.84Å; V149-E152 VanDerWaalsContact O-O 3.08Å; V149-K154 HydrophobicContact CG1-CD 4.44Å; V149-K154 HydrophobicContact CG2-CD 4.4Å; V149-M163 HydrophobicContact CB-CE 4.32Å; V149-M163 HydrophobicContact CG1-CE 3.91Å; V149-G164 VanDerWaalsContact CG1-O 3.25Å; V149-G164 WeakPolarHBondContact CG1-O 3.33Å
150	Q	45.2	Very low	50.5	Low	107 Å²	107	68.7 Å²	68.7	50%	0.5	38%	0.381	S	S	.	.	H	α-helix	trans	-79.2	-30.5	175	-68.2	-73.8	-43.1	0	0	112.8	H146 Q147	H146-Q150 WeakPolarHBondContact O-CG 3.37Å; H146-Q150 PolarHBondContact O-N 3.27Å; Q147-Q150 PolarHBondContact O-N 2.96Å; Q147-Q150 VanDerWaalsContact O-N 3.08Å
151	V	44.8	Very low	50.8	Low	127 Å²	127	69.2 Å²	69.2	77%	0.77	38%	0.383	S	S	*	.	H	α-helix	trans	-79.4	-28.2	-177.5	173.9	0	0	0	0	113	Q147	Q147-V151 PolarHBondContact O-N 2.8Å
152	E	45.3	Very low	51.2	Low	77 Å²	77	72 Å²	72	36%	0.36	39%	0.388	S	S	.	.	S	Bend	trans	-100.1	112.4	171.7	-71.5	176.3	172.7	0	0	108.7	V149 K154 R304	V149-E152 VanDerWaalsContact O-O 3.08Å; E152-K154 VanDerWaalsContact C-N 3.32Å; E152-K154 HydrophobicContact CB-CG 4.37Å; E152-K154 WeakPolarHBondContact O-CG 3.48Å; E152-K154 PolarHBondContact O-N 3.28Å; E152-K154 VanDerWaalsContact OE2-CE 3.24Å; E152-K154 WeakPolarHBondContact OE2-CE 3.27Å; E152-K154 IonicContact OE2-NZ 2.64Å; E152-K154 PolarHBondContact OE2-NZ 2.91Å; E152-R304 IonicContact OE1-CZ 2.92Å; E152-R304 IonicContact OE1-NH1 3.37Å; E152-R304 IonicContact OE1-NH2 3.17Å; E152-R304 PolarHBondContact OE1-NH2 2.78Å
153	Q	48.4	Very low	51.3	Low	198 Å²	198	71.3 Å²	71.3	93%	0.925	38%	0.384	S	S	*	.			trans	-64	93.2	174	-70.3	-163.2	17.1	0	0	110.1
154	K	53	Low	51.1	Low	42 Å²	42	71.6 Å²	71.6	18%	0.183	39%	0.387	C	S	.	.			trans	-85.6	128.3	-175.7	-81.6	167.7	-174.9	174.8	0	110.1	V149 E152 F156 G164	V149-K154 HydrophobicContact CG1-CD 4.44Å; V149-K154 HydrophobicContact CG2-CD 4.4Å; E152-K154 VanDerWaalsContact C-N 3.32Å; E152-K154 HydrophobicContact CB-CG 4.37Å; E152-K154 WeakPolarHBondContact O-CG 3.48Å; E152-K154 PolarHBondContact O-N 3.28Å; E152-K154 VanDerWaalsContact OE2-CE 3.24Å; E152-K154 WeakPolarHBondContact OE2-CE 3.27Å; E152-K154 IonicContact OE2-NZ 2.64Å; E152-K154 PolarHBondContact OE2-NZ 2.91Å; K154-F156 PolarHBondContact O-N 3.06Å; K154-F156 VanDerWaalsContact O-N 3.11Å; K154-G164 WeakPolarHBondContact CD-O 3.24Å
155	P	53.5	Low	51.8	Low	94 Å²	94	69.5 Å²	69.5	61%	0.61	38%	0.375	S	S	*	.	S	Bend	trans	-63.7	-22.4	-170.3	-23.5	33.2	0	0	0	115.2
156	F	53.5	Low	51.9	Low	73 Å²	73	66.4 Å²	66.4	32%	0.32	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	103.6	-170.7	-53.3	-69.7	0	0	0	110.7	K154 G164 F165 L168 L171	K154-F156 PolarHBondContact O-N 3.06Å; K154-F156 VanDerWaalsContact O-N 3.11Å; F156-G164 CarbonylContact O-C 3.51Å; F156-G164 WeakPolarHBondContact O-CA 3.26Å; F156-F165 PolarHBondContact N-O 3.33Å; F156-F165 PolarHBondContact O-N 2.86Å; F156-L168 HydrophobicContact CD1-CB 4.19Å; F156-L168 HydrophobicContact CD1-CD1 3.82Å; F156-L168 HydrophobicContact CD2-CB 4.27Å; F156-L168 HydrophobicContact CE1-CB 4.1Å; F156-L168 HydrophobicContact CE1-CD1 4.2Å; F156-L168 HydrophobicContact CE2-CB 4.18Å; F156-L168 HydrophobicContact CG-CB 4.26Å; F156-L168 HydrophobicContact CG-CD1 4.3Å; F156-L168 HydrophobicContact CZ-CB 4.1Å; F156-L171 HydrophobicContact CB-CB 4.44Å; F156-L171 HydrophobicContact CB-CD2 3.81Å
157	V	52.6	Low	52	Low	80 Å²	80	70.8 Å²	70.8	49%	0.485	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.3	-179.9	-177.6	0	0	0	0	110.4	G159 M163	V157-G159 PolarHBondContact O-N 2.91Å; V157-M163 CarbonylContact C-O 3.27Å; V157-M163 WeakPolarHBondContact CA-O 3.43Å
158	C	57.7	Low	52.2	Low	0 Å²	0	74.5 Å²	74.5	0%	0	41%	0.412	C	S	.	.			trans	-64.4	118.1	173.3	179.7	0	0	0	0	110.4	V160 C161 K162 M163 F165 L171 H175	C158-V160 PolarHBondContact O-N 3.15Å; C158-V160 VanDerWaalsContact O-N 3.17Å; C158-C161 VanDerWaalsContact CB-SG 3.5Å; C158-C161 PolarHBondContact SG-SG 3.38Å; C158-K162 WeakPolarHBondContact O-CA 3.12Å; C158-K162 PolarHBondContact O-N 3.13Å; C158-M163 PolarHBondContact N-O 3.02Å; C158-F165 HydrophobicContact CB-CE2 4.16Å; C158-L171 HydrophobicContact CB-CD1 3.52Å; C158-H175 PolarHBondContact SG-CE1 3.12Å; C158-H175 PolarHBondContact SG-NE2 3.43Å
159	G	48.6	Very low	52.9	Low	50 Å²	50	76.8 Å²	76.8	52%	0.515	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.1	-177.9	0	0	0	0	0	114.1	V157 K162	V157-G159 PolarHBondContact O-N 2.91Å; G159-K162 WeakPolarHBondContact O-CE 3.45Å; G159-K162 PolarHBondContact O-NZ 3.48Å
160	V	53.8	Low	53.3	Low	104 Å²	104	77.5 Å²	77.5	63%	0.63	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-54.5	-174.8	-176.8	0	0	0	0	112.1	C158	C158-V160 PolarHBondContact O-N 3.15Å; C158-V160 VanDerWaalsContact O-N 3.17Å
161	C	52.5	Low	54.3	Low	30 Å²	30	73.2 Å²	73.2	20%	0.203	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-3.3	-173.8	71.8	0	0	0	0	114.5	C158 M163 H174	C158-C161 VanDerWaalsContact CB-SG 3.5Å; C158-C161 PolarHBondContact SG-SG 3.38Å; C161-M163 VanDerWaalsContact C-N 3.25Å; C161-M163 HydrophobicContact CB-CG 4.38Å; C161-M163 PolarHBondContact O-N 3.02Å; C161-M163 VanDerWaalsContact SG-CB 3.57Å; C161-M163 WeakPolarHBondContact SG-CG 2.79Å; C161-H174 PolarHBondContact SG-NE2 2.62Å
162	K	55.8	Low	54.9	Low	139 Å²	139	69.9 Å²	69.9	60%	0.604	40%	0.397	S	S	*	.			trans	58	25.7	-175.2	-51.3	-55	-171.9	-164.5	0	115.3	C158 G159	C158-K162 WeakPolarHBondContact O-CA 3.12Å; C158-K162 PolarHBondContact O-N 3.13Å; G159-K162 WeakPolarHBondContact O-CE 3.45Å; G159-K162 PolarHBondContact O-NZ 3.48Å
163	M	52.3	Low	55.7	Low	40 Å²	40	72.7 Å²	72.7	20%	0.197	41%	0.41	C	S	.	.			trans	-83.4	131.7	174.9	-64.8	-91.6	46.9	0	0	111.6	H146 V149 V157 C158 C161 F165	H146-M163 HydrophobicContact CB-CE 4.45Å; H146-M163 VanDerWaalsContact ND1-CE 3.32Å; H146-M163 WeakPolarHBondContact ND1-CE 3.25Å; V149-M163 HydrophobicContact CB-CE 4.32Å; V149-M163 HydrophobicContact CG1-CE 3.91Å; V157-M163 CarbonylContact C-O 3.27Å; V157-M163 WeakPolarHBondContact CA-O 3.43Å; C158-M163 PolarHBondContact N-O 3.02Å; C161-M163 VanDerWaalsContact C-N 3.25Å; C161-M163 HydrophobicContact CB-CG 4.38Å; C161-M163 PolarHBondContact O-N 3.02Å; C161-M163 VanDerWaalsContact SG-CB 3.57Å; C161-M163 WeakPolarHBondContact SG-CG 2.79Å; M163-F165 HydrophobicContact CB-CE2 3.81Å; M163-F165 HydrophobicContact CB-CZ 4.07Å; M163-F165 WeakPolarHBondContact O-CD2 3.43Å; M163-F165 VanDerWaalsContact O-CE2 3.25Å; M163-F165 WeakPolarHBondContact O-CE2 3.46Å
164	G	50.9	Low	56.5	Low	8 Å²	8	65.6 Å²	65.6	8%	0.082	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.3	178.9	0	0	0	0	0	113.7	V149 K154 F156	V149-G164 VanDerWaalsContact CG1-O 3.25Å; V149-G164 WeakPolarHBondContact CG1-O 3.33Å; K154-G164 WeakPolarHBondContact CD-O 3.24Å; F156-G164 CarbonylContact O-C 3.51Å; F156-G164 WeakPolarHBondContact O-CA 3.26Å
165	F	62.3	Low	56.6	Low	40 Å²	40	67 Å²	67	18%	0.175	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.3	-177.9	-61.3	-92.5	0	0	0	110.2	F156 C158 M163 L167 L171 H174	F156-F165 PolarHBondContact N-O 3.33Å; F156-F165 PolarHBondContact O-N 2.86Å; C158-F165 HydrophobicContact CB-CE2 4.16Å; M163-F165 HydrophobicContact CB-CE2 3.81Å; M163-F165 HydrophobicContact CB-CZ 4.07Å; M163-F165 WeakPolarHBondContact O-CD2 3.43Å; M163-F165 VanDerWaalsContact O-CE2 3.25Å; M163-F165 WeakPolarHBondContact O-CE2 3.46Å; F165-L167 VanDerWaalsContact C-N 3.27Å; F165-L167 PolarHBondContact O-N 2.66Å; F165-L171 HydrophobicContact CB-CB 4.1Å; F165-L171 HydrophobicContact CD2-CB 3.88Å; F165-L171 HydrophobicContact CD2-CD1 3.61Å; F165-L171 HydrophobicContact CD2-CG 4.3Å; F165-L171 HydrophobicContact CE2-CD1 3.72Å; F165-L171 HydrophobicContact CG-CB 4.02Å; F165-H174 HydrophobicContact CE1-CB 3.91Å; F165-H174 HydrophobicContact CE2-CB 4.13Å; F165-H174 AromaticContact CE2-CD2 3.88Å; F165-H174 HydrophobicContact CZ-CB 3.5Å; F165-H174 VanDerWaalsContact CZ-CB 3.5Å; F165-H174 AromaticContact CZ-CD2 3.64Å; F165-H174 AromaticContact CZ-CG 3.36Å; F165-H174 AromaticContact CZ-ND1 3.85Å
166	S	56.1	Low	57	Low	73 Å²	73	67.7 Å²	67.7	51%	0.51	39%	0.387	S	S	.	.	S	Bend	trans	-73.1	-19.2	177	44.2	0	0	0	0	113.3
167	L	61.9	Low	57.2	Low	104 Å²	104	68.2 Å²	68.2	55%	0.545	40%	0.399	S	S	.	.	S	Bend	trans	-132.7	136.4	-179.2	-62.8	173.7	0	0	0	110.4	F165 T169 S170 L171	F165-L167 VanDerWaalsContact C-N 3.27Å; F165-L167 PolarHBondContact O-N 2.66Å; L167-T169 PolarHBondContact O-N 3.26Å; L167-S170 PolarHBondContact O-N 3.38Å; L167-S170 VanDerWaalsContact O-N 3.15Å; L167-L171 PolarHBondContact O-N 3.46Å
168	L	52.9	Low	57.5	Low	101 Å²	101	68 Å²	68	53%	0.529	39%	0.393	S	S	.	.	H	α-helix	trans	-60.5	-33.5	178.6	-176.4	60.7	0	0	0	112.3	F156 S170 L171 A172	F156-L168 HydrophobicContact CD1-CB 4.19Å; F156-L168 HydrophobicContact CD1-CD1 3.82Å; F156-L168 HydrophobicContact CD2-CB 4.27Å; F156-L168 HydrophobicContact CE1-CB 4.1Å; F156-L168 HydrophobicContact CE1-CD1 4.2Å; F156-L168 HydrophobicContact CE2-CB 4.18Å; F156-L168 HydrophobicContact CG-CB 4.26Å; F156-L168 HydrophobicContact CG-CD1 4.3Å; F156-L168 HydrophobicContact CZ-CB 4.1Å; L168-S170 VanDerWaalsContact C-N 3.33Å; L168-S170 PolarHBondContact O-N 3.23Å; L168-L171 HydrophobicContact CD1-CD2 4.26Å; L168-L171 WeakPolarHBondContact O-CB 3.27Å; L168-L171 PolarHBondContact O-N 2.99Å; L168-A172 PolarHBondContact O-N 3.01Å
169	T	59	Low	57.1	Low	97 Å²	97	74.7 Å²	74.7	60%	0.595	43%	0.428	S	S	*	.	H	α-helix	trans	-62.4	-38.4	176.7	-36.9	0	0	0	0	112.3	L167 A172 Q173	L167-T169 PolarHBondContact O-N 3.26Å; T169-A172 PolarHBondContact O-N 3.24Å; T169-Q173 WeakPolarHBondContact O-CG 3.33Å; T169-Q173 PolarHBondContact O-N 3.37Å
170	S	59.5	Low	56.9	Low	43 Å²	43	76.9 Å²	76.9	30%	0.301	44%	0.436	S	S	.	.	H	α-helix	trans	-70.6	-34.4	175.9	-53.2	0	0	0	0	111.8	L167 L168 H174	L167-S170 PolarHBondContact O-N 3.38Å; L167-S170 VanDerWaalsContact O-N 3.15Å; L168-S170 VanDerWaalsContact C-N 3.33Å; L168-S170 PolarHBondContact O-N 3.23Å; S170-H174 WeakPolarHBondContact O-CB 3.19Å; S170-H174 PolarHBondContact O-N 2.81Å
171	L	64.8	Low	56.7	Low	17 Å²	17	77.1 Å²	77.1	9%	0.089	44%	0.442	C	S	.	.	H	α-helix	trans	-65.8	-41.6	170.8	175.7	59.5	0	0	0	111.4	F156 C158 F165 L167 L168 H174 H175	F156-L171 HydrophobicContact CB-CB 4.44Å; F156-L171 HydrophobicContact CB-CD2 3.81Å; C158-L171 HydrophobicContact CB-CD1 3.52Å; F165-L171 HydrophobicContact CB-CB 4.1Å; F165-L171 HydrophobicContact CD2-CB 3.88Å; F165-L171 HydrophobicContact CD2-CD1 3.61Å; F165-L171 HydrophobicContact CD2-CG 4.3Å; F165-L171 HydrophobicContact CE2-CD1 3.72Å; F165-L171 HydrophobicContact CG-CB 4.02Å; L167-L171 PolarHBondContact O-N 3.46Å; L168-L171 HydrophobicContact CD1-CD2 4.26Å; L168-L171 WeakPolarHBondContact O-CB 3.27Å; L168-L171 PolarHBondContact O-N 2.99Å; L171-H174 CarbonylContact O-C 3.46Å; L171-H174 WeakPolarHBondContact O-CB 3.44Å; L171-H174 PolarHBondContact O-N 3.29Å; L171-H174 VanDerWaalsContact O-N 3.14Å; L171-H175 VanDerWaalsContact CD1-CD2 3.44Å; L171-H175 WeakPolarHBondContact CD1-CD2 3.42Å; L171-H175 PolarHBondContact O-CD2 3.24Å; L171-H175 PolarHBondContact O-N 3.03Å
172	A	57.4	Low	56.3	Low	57 Å²	57	83.4 Å²	83.4	47%	0.471	47%	0.474	S	S	.	.	H	α-helix	trans	-63.3	-43.9	176.8	0	0	0	0	0	112.3	L168 T169 H174 H175 T176	L168-A172 PolarHBondContact O-N 3.01Å; T169-A172 PolarHBondContact O-N 3.24Å; A172-H174 VanDerWaalsContact C-N 3.25Å; A172-H174 PolarHBondContact O-N 3.32Å; A172-H175 PolarHBondContact O-N 3.26Å; A172-H175 VanDerWaalsContact O-N 3.12Å; A172-T176 PolarHBondContact O-N 2.69Å
173	Q	62.4	Low	55.7	Low	137 Å²	137	80.8 Å²	80.8	64%	0.64	47%	0.471	S	S	*	.	H	α-helix	trans	-65.5	-26	172.2	-72.1	175.2	-25.3	0	0	113.2	T169 T176	T169-Q173 WeakPolarHBondContact O-CG 3.33Å; T169-Q173 PolarHBondContact O-N 3.37Å; Q173-T176 PolarHBondContact O-OG1 2.95Å
174	H	66.6	Low	55.4	Low	48 Å²	48	84.3 Å²	84.3	22%	0.222	49%	0.488	C	S	.	.	H	α-helix	trans	-75.4	-35	170.2	-175.3	69.9	0	0	0	111.9	C161 F165 S170 L171 A172 T176 S177 H178	C161-H174 PolarHBondContact SG-NE2 2.62Å; F165-H174 HydrophobicContact CE1-CB 3.91Å; F165-H174 HydrophobicContact CE2-CB 4.13Å; F165-H174 AromaticContact CE2-CD2 3.88Å; F165-H174 HydrophobicContact CZ-CB 3.5Å; F165-H174 VanDerWaalsContact CZ-CB 3.5Å; F165-H174 AromaticContact CZ-CD2 3.64Å; F165-H174 AromaticContact CZ-CG 3.36Å; F165-H174 AromaticContact CZ-ND1 3.85Å; S170-H174 WeakPolarHBondContact O-CB 3.19Å; S170-H174 PolarHBondContact O-N 2.81Å; L171-H174 CarbonylContact O-C 3.46Å; L171-H174 WeakPolarHBondContact O-CB 3.44Å; L171-H174 PolarHBondContact O-N 3.29Å; L171-H174 VanDerWaalsContact O-N 3.14Å; A172-H174 VanDerWaalsContact C-N 3.25Å; A172-H174 PolarHBondContact O-N 3.32Å; H174-T176 VanDerWaalsContact C-N 3.3Å; H174-T176 PolarHBondContact O-N 2.93Å; H174-S177 PolarHBondContact O-N 3.14Å; H174-S177 VanDerWaalsContact O-N 3.11Å; H174-S177 PolarHBondContact O-OG 3.25Å; H174-H178 AromaticContact CD2-CD2 4Å; H174-H178 AromaticContact CD2-NE2 3.51Å; H174-H178 AromaticContact CE1-NE2 3.63Å; H174-H178 AromaticContact NE2-CD2 3.91Å; H174-H178 AromaticContact NE2-CE1 3.97Å; H174-H178 AromaticContact NE2-NE2 2.99Å; H174-H178 PolarHBondContact NE2-NE2 3.4Å; H174-H178 PolarHBondContact O-CD2 3.09Å; H174-H178 VanDerWaalsContact O-CD2 3.27Å
175	H	55.4	Low	54.7	Low	72 Å²	72	89.9 Å²	89.9	33%	0.333	51%	0.51	S	S	.	.	H	α-helix	trans	-67.8	-25.1	178.1	-90.1	-77.3	0	0	0	114.1	C158 L171 A172 S177 H178	C158-H175 PolarHBondContact SG-CE1 3.12Å; C158-H175 PolarHBondContact SG-NE2 3.43Å; L171-H175 VanDerWaalsContact CD1-CD2 3.44Å; L171-H175 WeakPolarHBondContact CD1-CD2 3.42Å; L171-H175 PolarHBondContact O-CD2 3.24Å; L171-H175 PolarHBondContact O-N 3.03Å; A172-H175 PolarHBondContact O-N 3.26Å; A172-H175 VanDerWaalsContact O-N 3.12Å; H175-S177 PolarHBondContact O-N 2.95Å; H175-H178 PolarHBondContact O-N 3.41Å
176	T	61.4	Low	53.7	Low	109 Å²	109	90.5 Å²	90.5	67%	0.669	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-67.3	-14.3	171.5	55.8	0	0	0	0	113.5	A172 Q173 H174 H178	A172-T176 PolarHBondContact O-N 2.69Å; Q173-T176 PolarHBondContact O-OG1 2.95Å; H174-T176 VanDerWaalsContact C-N 3.3Å; H174-T176 PolarHBondContact O-N 2.93Å; T176-H178 VanDerWaalsContact C-N 3.34Å
177	S	57.1	Low	52.9	Low	84 Å²	84	93 Å²	93	59%	0.587	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-84	-2.3	169.8	80.9	0	0	0	0	114.5	H174 H175	H174-S177 PolarHBondContact O-N 3.14Å; H174-S177 VanDerWaalsContact O-N 3.11Å; H174-S177 PolarHBondContact O-OG 3.25Å; H175-S177 PolarHBondContact O-N 2.95Å
178	H	60.1	Low	51.6	Low	75 Å²	75	95.5 Å²	95.5	35%	0.347	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-114.2	20.9	180	-62.5	-79.7	0	0	0	112.5	H174 H175 T176 S180	H174-H178 AromaticContact CD2-CD2 4Å; H174-H178 AromaticContact CD2-NE2 3.51Å; H174-H178 AromaticContact CE1-NE2 3.63Å; H174-H178 AromaticContact NE2-CD2 3.91Å; H174-H178 AromaticContact NE2-CE1 3.97Å; H174-H178 AromaticContact NE2-NE2 2.99Å; H174-H178 PolarHBondContact NE2-NE2 3.4Å; H174-H178 PolarHBondContact O-CD2 3.09Å; H174-H178 VanDerWaalsContact O-CD2 3.27Å; H175-H178 PolarHBondContact O-N 3.41Å; T176-H178 VanDerWaalsContact C-N 3.34Å; H178-S180 PolarHBondContact O-N 2.87Å
179	N	47.9	Very low	51	Low	140 Å²	140	94.3 Å²	94.3	75%	0.749	55%	0.548	S	S	*	.			trans	-75.1	98.9	-158.7	-172.5	28.7	0	0	0	115.3
180	S	44.3	Very low	50	Low	96 Å²	96	96 Å²	96	67%	0.671	55%	0.549	S	S	*	.	S	Bend		-165.7	123.4	129.4	54	0	0	0	0	111.7	H178	H178-S180 PolarHBondContact O-N 2.87Å
181	S	50.6	Low	48.7	Very low	109 Å²	109	101.3 Å²	101.3	76%	0.762	57%	0.567	S	S	*	*	S	Bend	trans	49.3	87.2	166.7	62.5	0	0	0	0	118.9
182	N	43.3	Very low	47.5	Very low	163 Å²	163	105.2 Å²	105.2	87%	0.872	59%	0.591	S	S	*	*			trans	-158	145.8	142.9	-121	-10.3	0	0	0	111.5
183	P	43.5	Very low	46.5	Very low	83 Å²	83	110.6 Å²	110.6	54%	0.539	60%	0.601	S	S	.	*			trans	-78.2	149.8	-177.6	31.6	-32.6	0	0	0	112.4
184	M	46	Very low	45.2	Very low	114 Å²	114	114.8 Å²	114.8	56%	0.562	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74	131.3	177.4	-59.6	-158.3	-61.5	0	0	110.9	T192 Y193	M184-T192 WeakPolarHBondContact O-CA 3.42Å; M184-T192 WeakPolarHBondContact O-CG2 3.32Å; M184-Y193 PolarHBondContact O-N 3.15Å; M184-Y193 VanDerWaalsContact O-N 3.16Å
185	K	36.4	Very low	43.6	Very low	126 Å²	126	118.1 Å²	118.1	55%	0.548	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.7	127.5	164	-171.4	175.6	179.6	-177.3	0	109.6	E190 T192	K185-E190 VanDerWaalsContact CE-O 3.32Å; K185-E190 WeakPolarHBondContact CE-O 3.43Å; K185-E190 WeakPolarHBondContact CE-OE1 3.48Å; K185-E190 WeakPolarHBondContact CG-O 3.31Å; K185-E190 IonicContact NZ-OE1 2.63Å; K185-E190 PolarHBondContact NZ-OE1 2.93Å; K185-E190 IonicContact NZ-OE2 3.83Å; K185-T192 HydrophobicContact CB-CG2 4.46Å
186	C	40.3	Very low	42.4	Very low	52 Å²	52	118.3 Å²	118.3	35%	0.351	66%	0.658	S	S	.	*			trans	-79.2	126.7	173.9	-178.4	0	0	0	0	110.6	I188 C189 E190 K191	C186-I188 PolarHBondContact O-N 3.13Å; C186-I188 PolarHBondContact SG-N 3.45Å; C186-C189 VanDerWaalsContact CB-SG 3.59Å; C186-C189 VanDerWaalsContact SG-SG 3.65Å; C186-E190 VanDerWaalsContact O-CA 3.27Å; C186-E190 WeakPolarHBondContact O-CA 3.47Å; C186-E190 PolarHBondContact O-N 2.82Å; C186-K191 PolarHBondContact N-O 3.22Å
187	S	39.5	Very low	40.8	Very low	126 Å²	126	118.3 Å²	118.3	88%	0.881	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-5.1	177.3	-99.1	0	0	0	0	115.2
188	I	36.1	Very low	39.6	Very low	157 Å²	157	119.9 Å²	119.9	81%	0.805	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-31.4	-179.1	-56.2	169.7	0	0	0	111.6	C186	C186-I188 PolarHBondContact O-N 3.13Å; C186-I188 PolarHBondContact SG-N 3.45Å
189	C	39.5	Very low	38.1	Very low	76 Å²	76	119.9 Å²	119.9	51%	0.514	69%	0.693	S	S	.	*	T	Hydrogen-bonded Turn	trans	-128.2	8.3	-177.1	73.2	0	0	0	0	115.1	C186 K191	C186-C189 VanDerWaalsContact CB-SG 3.59Å; C186-C189 VanDerWaalsContact SG-SG 3.65Å; C189-K191 PolarHBondContact O-N 3.32Å
190	E	38.6	Very low	37.4	Very low	133 Å²	133	121.2 Å²	121.2	62%	0.621	70%	0.701	S	S	*	*			trans	55.5	-11.3	175.4	-63.6	-132.3	108.7	0	0	119	K185 C186	K185-E190 VanDerWaalsContact CE-O 3.32Å; K185-E190 WeakPolarHBondContact CE-O 3.43Å; K185-E190 WeakPolarHBondContact CE-OE1 3.48Å; K185-E190 WeakPolarHBondContact CG-O 3.31Å; K185-E190 IonicContact NZ-OE1 2.63Å; K185-E190 PolarHBondContact NZ-OE1 2.93Å; K185-E190 IonicContact NZ-OE2 3.83Å; C186-E190 VanDerWaalsContact O-CA 3.27Å; C186-E190 WeakPolarHBondContact O-CA 3.47Å; C186-E190 PolarHBondContact O-N 2.82Å
191	K	32.4	Very low	36.7	Very low	154 Å²	154	123.2 Å²	123.2	67%	0.67	71%	0.709	S	S	*	*			trans	-68.1	142.5	-179	-69.7	178.2	-178.8	-178.7	0	112.4	C186 C189	C186-K191 PolarHBondContact N-O 3.22Å; C189-K191 PolarHBondContact O-N 3.32Å
192	T	38.5	Very low	35.8	Very low	98 Å²	98	124.2 Å²	124.2	60%	0.601	71%	0.71	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.5	133.6	175.9	28.5	0	0	0	0	111.9	M184 K185	M184-T192 WeakPolarHBondContact O-CA 3.42Å; M184-T192 WeakPolarHBondContact O-CG2 3.32Å; K185-T192 HydrophobicContact CB-CG2 4.46Å
193	Y	37.3	Very low	35.4	Very low	170 Å²	170	122.2 Å²	122.2	67%	0.667	71%	0.707	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.5	138.3	176.7	-106.4	-93.9	0	0	0	111.3	M184	M184-Y193 PolarHBondContact O-N 3.15Å; M184-Y193 VanDerWaalsContact O-N 3.16Å
194	R	33.5	Very low	34.5	Very low	226 Å²	226	124.6 Å²	124.6	85%	0.853	72%	0.72	S	S	*	*			trans	-118.5	125.1	177.6	-142.2	-174.4	-154.4	-174.1	7.5	108.5	G196	R194-G196 PolarHBondContact O-N 3.11Å
195	P	34.2	Very low	33.8	Very low	117 Å²	117	123.9 Å²	123.9	76%	0.76	73%	0.726	S	S	*	*			trans	-71.9	112.8	175.9	-15.2	30.1	0	0	0	110.4
196	G	29.4	Very low	33.5	Very low	76 Å²	76	122.9 Å²	122.9	78%	0.784	74%	0.735	S	S	*	*			trans	-81.6	152.5	162.9	0	0	0	0	0	110.8	R194	R194-G196 PolarHBondContact O-N 3.11Å
197	S	28.1	Very low	33.1	Very low	110 Å²	110	125.4 Å²	125.4	77%	0.769	75%	0.753	S	S	*	*			trans	-78	154.3	-177.8	-169.3	0	0	0	0	113.1
198	S	31.2	Very low	32.5	Very low	117 Å²	117	124.6 Å²	124.6	82%	0.818	75%	0.748	S	S	*	*			trans	77.3	145.9	154.8	-52.7	0	0	0	0	119.3
199	G	29.5	Very low	32.2	Very low	74 Å²	74	122.5 Å²	122.5	76%	0.763	75%	0.747	S	S	*	*			trans	121.4	74.9	145.9	0	0	0	0	0	117
200	N	34.2	Very low	31.5	Very low	169 Å²	169	127.6 Å²	127.6	90%	0.904	76%	0.763	S	S	*	*			trans	-94	98.4	158.7	-144.4	27.5	0	0	0	108.2
201	T	29.2	Very low	31.9	Very low	138 Å²	138	125.8 Å²	125.8	85%	0.847	76%	0.763	S	S	*	*			trans	-154.9	149.8	157.9	35.2	0	0	0	0	111.6
202	T	30.4	Very low	31.6	Very low	129 Å²	129	123.9 Å²	123.9	79%	0.791	77%	0.769	S	S	*	*			trans	-65.3	165	-176.4	35.4	0	0	0	0	115.5
203	P	34.7	Very low	31.1	Very low	122 Å²	122	124.3 Å²	124.3	79%	0.792	78%	0.776	S	S	*	*			trans	-87.5	134.4	-174.1	34	-33.9	0	0	0	113.8
204	T	26	Very low	30.6	Very low	132 Å²	132	120.3 Å²	120.3	81%	0.81	77%	0.773	S	S	*	*			trans	-155.7	123.7	156.3	12.6	0	0	0	0	111.9
205	S	30.4	Very low	30.4	Very low	100 Å²	100	117 Å²	117	70%	0.699	77%	0.772	S	S	*	*			trans	25.5	129	148.6	55.6	0	0	0	0	123.4
206	S	30.6	Very low	30.1	Very low	105 Å²	105	114.8 Å²	114.8	73%	0.734	77%	0.77	S	S	*	*			trans	78.8	121.5	135	53.7	0	0	0	0	123.7
207	S	31	Very low	30.1	Very low	105 Å²	105	116.5 Å²	116.5	73%	0.734	78%	0.777	S	S	*	*			trans	80.4	122.3	132.6	63.9	0	0	0	0	123.5
208	S	27.7	Very low	30.1	Very low	109 Å²	109	117.1 Å²	117.1	76%	0.762	78%	0.781	S	S	*	*			trans	90	119.9	136.2	-57.6	0	0	0	0	123
209	S	29.1	Very low	30	Very low	113 Å²	113	115.9 Å²	115.9	79%	0.79	78%	0.778	S	S	*	*			trans	77.2	105.4	136.6	-55.4	0	0	0	0	123.5
210	Q	26.3	Very low	30	Very low	182 Å²	182	118.1 Å²	118.1	85%	0.85	78%	0.782	S	S	*	*				57.5	160	109.5	-86.1	-99.3	-48.5	0	0	121.1
211	P	45.5	Very low	30.1	Very low	96 Å²	96	115.6 Å²	115.6	62%	0.623	78%	0.778	S	S	*	*				-132.4	-141	-109.3	45.2	-26.1	0	0	0	115
212	S	26.9	Very low	30.2	Very low	114 Å²	114	114.7 Å²	114.7	80%	0.797	78%	0.777	S	S	*	*			trans	81.1	157.3	-179.4	78.8	0	0	0	0	115.1
213	S	27.7	Very low	30.5	Very low	106 Å²	106	114.5 Å²	114.5	74%	0.741	78%	0.781	S	S	*	*			cis	-172.3	164.5	-13.6	39	0	0	0	0	107.1
214	S	27.9	Very low	30.3	Very low	86 Å²	86	114.2 Å²	114.2	60%	0.601	78%	0.782	S	S	*	*			cis	-164.4	-175.1	-8.2	41	0	0	0	0	108.6
215	D	28.8	Very low	31.1	Very low	158 Å²	158	115.9 Å²	115.9	85%	0.845	78%	0.784	S	S	*	*			trans	66.8	152.4	161.2	-45.4	-54.5	0	0	0	118.2
216	G	28.2	Very low	31.3	Very low	69 Å²	69	118.6 Å²	118.6	71%	0.711	79%	0.79	S	S	*	*			cis	171.2	158.2	-6.5	0	0	0	0	0	111.8
217	A	28.9	Very low	31.7	Very low	113 Å²	113	119 Å²	119	93%	0.934	79%	0.79	S	S	*	*			trans	67.6	128.6	166.6	0	0	0	0	0	120.9
218	S	28.3	Very low	32.1	Very low	122 Å²	122	123.2 Å²	123.2	85%	0.853	80%	0.795	S	S	*	*			trans	-91.8	159.6	167.3	-53.6	0	0	0	0	111.6
219	A	28.3	Very low	32.7	Very low	92 Å²	92	123.6 Å²	123.6	76%	0.76	80%	0.795	S	S	*	*				142.6	162	122.8	0	0	0	0	0	115.4
220	S	29.6	Very low	33.6	Very low	120 Å²	120	123.6 Å²	123.6	84%	0.839	80%	0.796	S	S	*	*			trans	86.1	93.8	156.8	-52.9	0	0	0	0	118.2
221	S	36.1	Very low	34.6	Very low	116 Å²	116	119.1 Å²	119.1	81%	0.811	79%	0.789	S	S	*	*			trans	-55.1	142.9	158.6	-42.5	0	0	0	0	112.4
222	S	32.2	Very low	35	Very low	119 Å²	119	126.2 Å²	126.2	83%	0.832	80%	0.804	S	S	*	*			trans	-156.9	117.2	148.9	-82.8	0	0	0	0	109.9
223	S	35.8	Very low	36.7	Very low	126 Å²	126	125.7 Å²	125.7	88%	0.881	79%	0.792	S	S	*	*			trans	-76.7	126	177.7	-59.6	0	0	0	0	110.8
224	S	31.9	Very low	38.4	Very low	116 Å²	116	128 Å²	128	81%	0.811	78%	0.784	S	S	*	*			trans	-126.5	122.4	163.2	-74.3	0	0	0	0	109.4
225	I	41.9	Very low	40.7	Very low	166 Å²	166	128.4 Å²	128.4	85%	0.851	79%	0.785	S	S	*	*			trans	-70.6	128.9	-174.7	-64.8	168.4	0	0	0	109.6
226	L	33.9	Very low	43	Very low	158 Å²	158	125.3 Å²	125.3	83%	0.827	76%	0.762	S	S	*	*			trans	-130.6	148.4	160.3	-71.2	178.2	0	0	0	110.1
227	P	39	Very low	45.5	Very low	113 Å²	113	128.4 Å²	128.4	73%	0.734	76%	0.756	S	S	*	*			trans	-77	156.3	-164.7	-15.2	31.8	0	0	0	114.2	P229	P227-P229 WeakPolarHBondContact O-CD 3.42Å
228	F	39.2	Very low	48.2	Very low	193 Å²	193	123 Å²	123	85%	0.846	71%	0.712	S	S	*	*			trans	-41.5	124.7	173.1	-85.3	-99.2	0	0	0	114.8
229	P	40.9	Very low	50.6	Low	117 Å²	117	121.5 Å²	121.5	76%	0.76	70%	0.701	S	S	*	*			trans	-101.3	80.8	158	18.5	-0	0	0	0	110.6	P227 A231	P227-P229 WeakPolarHBondContact O-CD 3.42Å; P229-A231 PolarHBondContact O-N 3.49Å
230	S	48.7	Very low	53	Low	114 Å²	114	121.8 Å²	121.8	80%	0.797	69%	0.693	S	S	*	*			trans	-72.7	70.6	167.6	-79.6	0	0	0	0	111.2
231	A	47.8	Very low	55.3	Low	87 Å²	87	118.9 Å²	118.9	72%	0.719	67%	0.672	S	S	*	*			trans	-152.3	33.4	-174.3	0	0	0	0	0	116	P229	P229-A231 PolarHBondContact O-N 3.49Å
232	R	52.8	Low	57.2	Low	245 Å²	245	119.3 Å²	119.3	93%	0.925	66%	0.661	S	S	*	*			trans	-137.9	107.8	166.8	-57.3	-177.2	-170.1	-174.9	3.6	106.8
233	D	62.4	Low	59.4	Low	104 Å²	104	119.3 Å²	119.3	56%	0.556	65%	0.646	S	S	*	*	S	Bend		-166.1	45.1	91.7	-173.1	36.4	0	0	0	112.2	K246	D233-K246 VanDerWaalsContact OD2-CE 3.29Å; D233-K246 WeakPolarHBondContact OD2-CE 3.44Å; D233-K246 IonicContact OD2-NZ 3.39Å; D233-K246 PolarHBondContact OD2-NZ 3.38Å
234	R	63.4	Low	61.4	Low	153 Å²	153	114 Å²	114	58%	0.577	61%	0.612	S	S	*	*			trans	-145	74.4	177.7	-64.6	-166.6	-165.6	176.7	5.5	112.6	Y236 G244 F245 K246	R234-Y236 VanDerWaalsContact C-N 3.34Å; R234-Y236 PolarHBondContact O-N 3.39Å; R234-G244 VanDerWaalsContact CD-O 3.27Å; R234-G244 WeakPolarHBondContact CD-O 3.37Å; R234-F245 CarbonylContact C-O 3.57Å; R234-F245 VanDerWaalsContact C-O 3.29Å; R234-F245 VanDerWaalsContact CA-O 3.22Å; R234-F245 WeakPolarHBondContact CA-O 3.32Å; R234-F245 WeakPolarHBondContact CB-O 3.14Å; R234-K246 HydrophobicContact CG-CG 4.22Å
235	P	76.7	Confident	63.7	Low	95 Å²	95	109.9 Å²	109.9	62%	0.617	58%	0.58	S	S	*	*			trans	-72.5	-22	-171.7	26.6	-32.1	0	0	0	114.4
236	Y	77.6	Confident	65.5	Low	93 Å²	93	106.7 Å²	106.7	37%	0.365	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	109.7	-175.5	-56.6	-75.4	0	0	0	110.7	R234 G244 F245 K246 L248	R234-Y236 VanDerWaalsContact C-N 3.34Å; R234-Y236 PolarHBondContact O-N 3.39Å; Y236-G244 CarbonylContact O-C 3.59Å; Y236-G244 WeakPolarHBondContact O-CA 3.17Å; Y236-F245 PolarHBondContact N-O 2.82Å; Y236-F245 PolarHBondContact O-N 3.07Å; Y236-K246 WeakPolarHBondContact CD2-O 3.49Å; Y236-K246 WeakPolarHBondContact CE2-O 3.34Å; Y236-L248 HydrophobicContact CD1-CB 3.86Å; Y236-L248 HydrophobicContact CD1-CD1 3.76Å; Y236-L248 HydrophobicContact CD1-CG 4.38Å; Y236-L248 HydrophobicContact CD2-CB 4.48Å; Y236-L248 VanDerWaalsContact CD2-N 3.27Å; Y236-L248 HydrophobicContact CE1-CB 3.73Å; Y236-L248 HydrophobicContact CE1-CD1 4.13Å; Y236-L248 HydrophobicContact CE1-CG 4.37Å; Y236-L248 HydrophobicContact CE2-CB 4.37Å; Y236-L248 HydrophobicContact CG-CB 4.24Å
237	K	80.5	Confident	67.8	Low	135 Å²	135	104.5 Å²	104.5	59%	0.587	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.8	-179.2	-64.1	179.6	-177.1	176.7	0	111.6	K243 L251	K237-K243 WeakPolarHBondContact CA-O 3.35Å; K237-L251 WeakPolarHBondContact O-CD2 3.22Å
238	C	84.3	Confident	69.7	Low	0 Å²	0	103.5 Å²	103.5	0%	0	53%	0.533	C	S	.	.			trans	-73.9	126.4	173.6	-176.7	0	0	0	0	111.4	V240 Q242 K243 F245 L251 H258	C238-V240 VanDerWaalsContact C-N 3.28Å; C238-V240 PolarHBondContact O-N 3.12Å; C238-Q242 WeakPolarHBondContact O-CA 3.35Å; C238-Q242 PolarHBondContact O-N 2.93Å; C238-K243 PolarHBondContact N-O 3.19Å; C238-F245 HydrophobicContact CB-CE2 4.32Å; C238-L251 VanDerWaalsContact CA-CD1 3.45Å; C238-L251 HydrophobicContact CB-CD1 3.63Å; C238-H258 PolarHBondContact SG-NE2 3.35Å
239	S	78.6	Confident	71.6	Confident	89 Å²	89	98.4 Å²	98.4	62%	0.622	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-38	176.8	51.2	0	0	0	0	113.1	Q242	S239-Q242 PolarHBondContact O-NE2 2.83Å
240	V	79	Confident	73.4	Confident	99 Å²	99	95.6 Å²	95.6	60%	0.6	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-40.2	-173.7	-176.5	0	0	0	0	113.2	C238 H258	C238-V240 VanDerWaalsContact C-N 3.28Å; C238-V240 PolarHBondContact O-N 3.12Å; V240-H258 HydrophobicContact CG1-CB 4.41Å; V240-H258 HydrophobicContact CG2-CB 4.39Å
241	C	78.3	Confident	75	Confident	58 Å²	58	90.8 Å²	90.8	39%	0.392	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	8.2	-173.8	77.2	0	0	0	0	114.8	K243 H254	C241-K243 PolarHBondContact O-N 2.82Å; C241-H254 PolarHBondContact SG-NE2 2.87Å
242	Q	77.3	Confident	76.4	Confident	126 Å²	126	89.5 Å²	89.5	59%	0.589	45%	0.447	S	S	*	.			trans	56.3	10.8	177.1	-60.4	-61.5	-25.7	0	0	116.2	C238 S239 G244	C238-Q242 WeakPolarHBondContact O-CA 3.35Å; C238-Q242 PolarHBondContact O-N 2.93Å; S239-Q242 PolarHBondContact O-NE2 2.83Å; Q242-G244 PolarHBondContact O-N 3.45Å
243	K	76.5	Confident	77.8	Confident	118 Å²	118	82.8 Å²	82.8	51%	0.513	42%	0.421	S	S	.	.			trans	-68.6	125	177.1	-167.3	168.4	-174.9	172.6	0	110.4	K237 C238 C241 F245	K237-K243 WeakPolarHBondContact CA-O 3.35Å; C238-K243 PolarHBondContact N-O 3.19Å; C241-K243 PolarHBondContact O-N 2.82Å; K243-F245 HydrophobicContact CB-CE2 4.04Å; K243-F245 HydrophobicContact CB-CZ 4.2Å; K243-F245 HydrophobicContact CD-CZ 3.96Å; K243-F245 HydrophobicContact CG-CE2 4.12Å; K243-F245 HydrophobicContact CG-CZ 3.89Å; K243-F245 VanDerWaalsContact O-CD2 3.29Å; K243-F245 WeakPolarHBondContact O-CD2 3.48Å; K243-F245 WeakPolarHBondContact O-CE2 3.49Å
244	G	78.3	Confident	78.6	Confident	16 Å²	16	79.4 Å²	79.4	17%	0.165	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.3	176.2	0	0	0	0	0	113.3	R234 Y236 Q242	R234-G244 VanDerWaalsContact CD-O 3.27Å; R234-G244 WeakPolarHBondContact CD-O 3.37Å; Y236-G244 CarbonylContact O-C 3.59Å; Y236-G244 WeakPolarHBondContact O-CA 3.17Å; Q242-G244 PolarHBondContact O-N 3.45Å
245	F	81.4	Confident	79.3	Confident	29 Å²	29	75.1 Å²	75.1	13%	0.127	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	156.7	-178.6	-63.3	-82.7	0	0	0	111.3	R234 Y236 C238 K243 E250 L251 H254	R234-F245 CarbonylContact C-O 3.57Å; R234-F245 VanDerWaalsContact C-O 3.29Å; R234-F245 VanDerWaalsContact CA-O 3.22Å; R234-F245 WeakPolarHBondContact CA-O 3.32Å; R234-F245 WeakPolarHBondContact CB-O 3.14Å; Y236-F245 PolarHBondContact N-O 2.82Å; Y236-F245 PolarHBondContact O-N 3.07Å; C238-F245 HydrophobicContact CB-CE2 4.32Å; K243-F245 HydrophobicContact CB-CE2 4.04Å; K243-F245 HydrophobicContact CB-CZ 4.2Å; K243-F245 HydrophobicContact CD-CZ 3.96Å; K243-F245 HydrophobicContact CG-CE2 4.12Å; K243-F245 HydrophobicContact CG-CZ 3.89Å; K243-F245 VanDerWaalsContact O-CD2 3.29Å; K243-F245 WeakPolarHBondContact O-CD2 3.48Å; K243-F245 WeakPolarHBondContact O-CE2 3.49Å; F245-E250 HydrophobicContact CB-CB 4Å; F245-E250 HydrophobicContact CD1-CB 3.78Å; F245-E250 HydrophobicContact CG-CB 4.15Å; F245-L251 HydrophobicContact CB-CB 4.37Å; F245-L251 HydrophobicContact CD2-CB 3.95Å; F245-L251 HydrophobicContact CD2-CD1 3.96Å; F245-L251 HydrophobicContact CE2-CD1 4.11Å; F245-L251 HydrophobicContact CG-CB 4.32Å; F245-H254 HydrophobicContact CE1-CB 3.96Å; F245-H254 HydrophobicContact CE2-CB 3.92Å; F245-H254 AromaticContact CE2-CD2 3.48Å; F245-H254 VanDerWaalsContact CE2-CD2 3.48Å; F245-H254 WeakPolarHBondContact CE2-CD2 3.27Å; F245-H254 AromaticContact CE2-CG 3.75Å; F245-H254 HydrophobicContact CZ-CB 3.45Å; F245-H254 VanDerWaalsContact CZ-CB 3.45Å; F245-H254 AromaticContact CZ-CD2 3.44Å; F245-H254 VanDerWaalsContact CZ-CD2 3.44Å; F245-H254 WeakPolarHBondContact CZ-CD2 3.26Å; F245-H254 AromaticContact CZ-CG 3.25Å; F245-H254 AromaticContact CZ-ND1 3.86Å
246	K	79.4	Confident	79.5	Confident	99 Å²	99	73.8 Å²	73.8	43%	0.43	37%	0.371	S	S	.	.	S	Bend	trans	-80.4	-35	-179.5	-66.8	-152.6	171	-157.1	0	112	D233 R234 Y236 E250	D233-K246 VanDerWaalsContact OD2-CE 3.29Å; D233-K246 WeakPolarHBondContact OD2-CE 3.44Å; D233-K246 IonicContact OD2-NZ 3.39Å; D233-K246 PolarHBondContact OD2-NZ 3.38Å; R234-K246 HydrophobicContact CG-CG 4.22Å; Y236-K246 WeakPolarHBondContact CD2-O 3.49Å; Y236-K246 WeakPolarHBondContact CE2-O 3.34Å; K246-E250 PolarHBondContact N-OE2 3.14Å
247	H	82.3	Confident	79.5	Confident	111 Å²	111	74.2 Å²	74.2	51%	0.514	38%	0.383	S	S	.	.	S	Bend	trans	-127.3	147.6	-178.3	-52.7	-67.7	0	0	0	112.1	S249 E250 L251	H247-S249 PolarHBondContact O-N 3.19Å; H247-E250 HydrophobicContact CB-CG 4.26Å; H247-E250 PolarHBondContact N-OE2 2.74Å; H247-E250 WeakPolarHBondContact O-CB 3.22Å; H247-E250 PolarHBondContact O-N 2.92Å; H247-L251 PolarHBondContact O-N 3.41Å
248	L	79.3	Confident	79.3	Confident	92 Å²	92	71.5 Å²	71.5	48%	0.482	37%	0.372	S	S	.	.	H	α-helix	trans	-56.6	-38.2	177.8	-176.5	60.5	0	0	0	111.9	Y236 E250 L251 T252	Y236-L248 HydrophobicContact CD1-CB 3.86Å; Y236-L248 HydrophobicContact CD1-CD1 3.76Å; Y236-L248 HydrophobicContact CD1-CG 4.38Å; Y236-L248 HydrophobicContact CD2-CB 4.48Å; Y236-L248 VanDerWaalsContact CD2-N 3.27Å; Y236-L248 HydrophobicContact CE1-CB 3.73Å; Y236-L248 HydrophobicContact CE1-CD1 4.13Å; Y236-L248 HydrophobicContact CE1-CG 4.37Å; Y236-L248 HydrophobicContact CE2-CB 4.37Å; Y236-L248 HydrophobicContact CG-CB 4.24Å; L248-E250 PolarHBondContact O-N 3.47Å; L248-L251 HydrophobicContact CD1-CD2 4.3Å; L248-L251 WeakPolarHBondContact O-CB 3.08Å; L248-L251 PolarHBondContact O-N 3.04Å; L248-L251 VanDerWaalsContact O-N 3.08Å; L248-T252 PolarHBondContact O-N 3.36Å; L248-T252 PolarHBondContact O-OG1 2.93Å; L248-T252 VanDerWaalsContact O-OG1 3.06Å
249	S	78.8	Confident	78.8	Confident	87 Å²	87	75.6 Å²	75.6	61%	0.608	40%	0.398	S	S	*	.	H	α-helix	trans	-61.6	-28.5	176.5	55.7	0	0	0	0	113.9	H247 R253	H247-S249 PolarHBondContact O-N 3.19Å; S249-R253 WeakPolarHBondContact O-CB 3.38Å; S249-R253 PolarHBondContact O-N 3.5Å
250	E	78.1	Confident	78.6	Confident	58 Å²	58	73.5 Å²	73.5	27%	0.271	39%	0.39	S	S	.	.	H	α-helix	trans	-75.1	-39.4	173.1	-59.4	-177.1	128.7	0	0	111.5	F245 K246 H247 L248 R253 H254	F245-E250 HydrophobicContact CB-CB 4Å; F245-E250 HydrophobicContact CD1-CB 3.78Å; F245-E250 HydrophobicContact CG-CB 4.15Å; K246-E250 PolarHBondContact N-OE2 3.14Å; H247-E250 HydrophobicContact CB-CG 4.26Å; H247-E250 PolarHBondContact N-OE2 2.74Å; H247-E250 WeakPolarHBondContact O-CB 3.22Å; H247-E250 PolarHBondContact O-N 2.92Å; L248-E250 PolarHBondContact O-N 3.47Å; E250-R253 PolarHBondContact O-N 3.28Å; E250-H254 WeakPolarHBondContact O-CB 3.47Å; E250-H254 PolarHBondContact O-N 3.17Å
251	L	81.5	Confident	78.6	Confident	12 Å²	12	73.8 Å²	73.8	6%	0.063	38%	0.384	C	S	.	.	H	α-helix	trans	-63.1	-54.2	174.7	170.4	57.8	0	0	0	110.9	K237 C238 F245 H247 L248 R253 H254 E255	K237-L251 WeakPolarHBondContact O-CD2 3.22Å; C238-L251 VanDerWaalsContact CA-CD1 3.45Å; C238-L251 HydrophobicContact CB-CD1 3.63Å; F245-L251 HydrophobicContact CB-CB 4.37Å; F245-L251 HydrophobicContact CD2-CB 3.95Å; F245-L251 HydrophobicContact CD2-CD1 3.96Å; F245-L251 HydrophobicContact CE2-CD1 4.11Å; F245-L251 HydrophobicContact CG-CB 4.32Å; H247-L251 PolarHBondContact O-N 3.41Å; L248-L251 HydrophobicContact CD1-CD2 4.3Å; L248-L251 WeakPolarHBondContact O-CB 3.08Å; L248-L251 PolarHBondContact O-N 3.04Å; L248-L251 VanDerWaalsContact O-N 3.08Å; L251-R253 PolarHBondContact O-N 2.86Å; L251-H254 CarbonylContact O-C 3.59Å; L251-H254 WeakPolarHBondContact O-CA 3.44Å; L251-H254 WeakPolarHBondContact O-CB 3.25Å; L251-H254 PolarHBondContact O-N 2.73Å; L251-E255 HydrophobicContact CD1-CG 3.9Å; L251-E255 HydrophobicContact CG-CG 4.43Å; L251-E255 WeakPolarHBondContact O-CG 3.22Å; L251-E255 PolarHBondContact O-N 3.34Å
252	T	78.9	Confident	78.7	Confident	61 Å²	61	76.9 Å²	76.9	37%	0.374	39%	0.391	S	S	.	.	H	α-helix	trans	-57.4	-35.5	177.7	-49.6	0	0	0	0	112	L248 E255	L248-T252 PolarHBondContact O-N 3.36Å; L248-T252 PolarHBondContact O-OG1 2.93Å; L248-T252 VanDerWaalsContact O-OG1 3.06Å; T252-E255 WeakPolarHBondContact CA-OE2 3.1Å
253	R	80.6	Confident	78.9	Confident	104 Å²	104	74.4 Å²	74.4	39%	0.392	39%	0.386	S	S	.	.	H	α-helix	trans	-71.1	-31.9	174.4	-179.5	175.7	67.3	161.8	-11.8	112.9	S249 E250 L251 Q275	S249-R253 WeakPolarHBondContact O-CB 3.38Å; S249-R253 PolarHBondContact O-N 3.5Å; E250-R253 PolarHBondContact O-N 3.28Å; L251-R253 PolarHBondContact O-N 2.86Å; R253-Q275 HydrophobicContact CG-CG 4.1Å
254	H	79.9	Confident	79.1	Confident	33 Å²	33	71.8 Å²	71.8	15%	0.153	38%	0.375	C	S	.	.	H	α-helix	trans	-75.8	-35.6	175.5	172.3	65.5	0	0	0	112.4	C241 F245 E250 L251 R256 V257 H258	C241-H254 PolarHBondContact SG-NE2 2.87Å; F245-H254 HydrophobicContact CE1-CB 3.96Å; F245-H254 HydrophobicContact CE2-CB 3.92Å; F245-H254 AromaticContact CE2-CD2 3.48Å; F245-H254 VanDerWaalsContact CE2-CD2 3.48Å; F245-H254 WeakPolarHBondContact CE2-CD2 3.27Å; F245-H254 AromaticContact CE2-CG 3.75Å; F245-H254 HydrophobicContact CZ-CB 3.45Å; F245-H254 VanDerWaalsContact CZ-CB 3.45Å; F245-H254 AromaticContact CZ-CD2 3.44Å; F245-H254 VanDerWaalsContact CZ-CD2 3.44Å; F245-H254 WeakPolarHBondContact CZ-CD2 3.26Å; F245-H254 AromaticContact CZ-CG 3.25Å; F245-H254 AromaticContact CZ-ND1 3.86Å; E250-H254 WeakPolarHBondContact O-CB 3.47Å; E250-H254 PolarHBondContact O-N 3.17Å; L251-H254 CarbonylContact O-C 3.59Å; L251-H254 WeakPolarHBondContact O-CA 3.44Å; L251-H254 WeakPolarHBondContact O-CB 3.25Å; L251-H254 PolarHBondContact O-N 2.73Å; H254-R256 PolarHBondContact O-N 3.09Å; H254-V257 WeakPolarHBondContact O-CB 3.37Å; H254-V257 VanDerWaalsContact O-CG2 3.32Å; H254-V257 WeakPolarHBondContact O-CG2 3.4Å; H254-V257 PolarHBondContact O-N 3.3Å; H254-H258 AromaticContact CD2-NE2 3.92Å; H254-H258 AromaticContact CE1-NE2 3.69Å; H254-H258 AromaticContact NE2-NE2 3.15Å; H254-H258 PolarHBondContact NE2-NE2 3.35Å; H254-H258 VanDerWaalsContact NE2-NE2 3.15Å
255	E	78.3	Confident	79.4	Confident	63 Å²	63	78.5 Å²	78.5	29%	0.294	40%	0.4	S	S	.	.	H	α-helix	trans	-59.6	-31.5	177.5	-73.3	167.9	153.6	0	0	112.4	L251 T252 V257 H258 T259	L251-E255 HydrophobicContact CD1-CG 3.9Å; L251-E255 HydrophobicContact CG-CG 4.43Å; L251-E255 WeakPolarHBondContact O-CG 3.22Å; L251-E255 PolarHBondContact O-N 3.34Å; T252-E255 WeakPolarHBondContact CA-OE2 3.1Å; E255-V257 PolarHBondContact O-N 3.27Å; E255-V257 VanDerWaalsContact O-N 3.08Å; E255-H258 PolarHBondContact O-N 2.79Å; E255-T259 PolarHBondContact O-N 3.29Å
256	R	81.8	Confident	79.6	Confident	67 Å²	67	77.7 Å²	77.7	25%	0.253	40%	0.397	S	S	.	.	H	α-helix	trans	-59.4	-16.3	170.4	-62.4	178	-172.5	169.2	2.8	114.8	H254 T259 G260 E261 S274	H254-R256 PolarHBondContact O-N 3.09Å; R256-T259 WeakPolarHBondContact CA-OG1 3.5Å; R256-G260 WeakPolarHBondContact O-CA 3.36Å; R256-G260 PolarHBondContact O-N 2.79Å; R256-G260 VanDerWaalsContact O-N 3.13Å; R256-E261 HydrophobicContact CB-CB 4.36Å; R256-E261 HydrophobicContact CG-CB 4.15Å; R256-E261 PolarHBondContact O-N 2.84Å; R256-S274 PolarHBondContact NH1-O 3.39Å
257	V	75.9	Confident	79.6	Confident	102 Å²	102	79.8 Å²	79.8	62%	0.618	41%	0.413	S	S	*	.	H	α-helix	trans	-74.6	-32.9	172.1	-176.9	0	0	0	0	110.7	H254 E255	H254-V257 WeakPolarHBondContact O-CB 3.37Å; H254-V257 VanDerWaalsContact O-CG2 3.32Å; H254-V257 WeakPolarHBondContact O-CG2 3.4Å; H254-V257 PolarHBondContact O-N 3.3Å; E255-V257 PolarHBondContact O-N 3.27Å; E255-V257 VanDerWaalsContact O-N 3.08Å
258	H	76.6	Confident	79.4	Confident	78 Å²	78	78.7 Å²	78.7	36%	0.361	41%	0.414	S	S	.	.	H	α-helix	trans	-85.3	-41.4	178.5	-56	-59.2	0	0	0	111.9	C238 V240 H254 E255 G260	C238-H258 PolarHBondContact SG-NE2 3.35Å; V240-H258 HydrophobicContact CG1-CB 4.41Å; V240-H258 HydrophobicContact CG2-CB 4.39Å; H254-H258 AromaticContact CD2-NE2 3.92Å; H254-H258 AromaticContact CE1-NE2 3.69Å; H254-H258 AromaticContact NE2-NE2 3.15Å; H254-H258 PolarHBondContact NE2-NE2 3.35Å; H254-H258 VanDerWaalsContact NE2-NE2 3.15Å; E255-H258 PolarHBondContact O-N 2.79Å; H258-G260 VanDerWaalsContact C-N 3.3Å; H258-G260 PolarHBondContact O-N 3.03Å
259	T	74.5	Confident	79.6	Confident	86 Å²	86	75.9 Å²	75.9	53%	0.528	40%	0.402	S	S	.	.	H	α-helix	trans	-78.1	-14	177.3	64.5	0	0	0	0	113.4	E255 R256 E261	E255-T259 PolarHBondContact O-N 3.29Å; R256-T259 WeakPolarHBondContact CA-OG1 3.5Å; T259-E261 PolarHBondContact O-N 3.16Å; T259-E261 WeakPolarHBondContact OG1-CG 3.42Å
260	G	74.8	Confident	79.7	Confident	44 Å²	44	80.1 Å²	80.1	45%	0.454	42%	0.418	S	S	.	.			trans	71.5	3.9	-176.9	0	0	0	0	0	114.6	R256 H258 K262	R256-G260 WeakPolarHBondContact O-CA 3.36Å; R256-G260 PolarHBondContact O-N 2.79Å; R256-G260 VanDerWaalsContact O-N 3.13Å; H258-G260 VanDerWaalsContact C-N 3.3Å; H258-G260 PolarHBondContact O-N 3.03Å; G260-K262 PolarHBondContact O-N 3.44Å
261	E	77.5	Confident	79.8	Confident	105 Å²	105	83.3 Å²	83.3	49%	0.491	43%	0.431	S	S	.	.			trans	-58.3	127.7	-176.9	-79.9	175.4	-161.4	0	0	112.9	R256 T259	R256-E261 HydrophobicContact CB-CB 4.36Å; R256-E261 HydrophobicContact CG-CB 4.15Å; R256-E261 PolarHBondContact O-N 2.84Å; T259-E261 PolarHBondContact O-N 3.16Å; T259-E261 WeakPolarHBondContact OG1-CG 3.42Å
262	K	80.8	Confident	79.8	Confident	124 Å²	124	84.1 Å²	84.1	54%	0.539	44%	0.439	S	S	.	.			trans	-127.7	77.1	179.6	-72.8	157.6	176.6	174.6	0	110.2	G260 F264 A272 F273	G260-K262 PolarHBondContact O-N 3.44Å; K262-F264 PolarHBondContact O-N 3.03Å; K262-A272 HydrophobicContact CB-CB 3.56Å; K262-A272 HydrophobicContact CD-CB 4.3Å; K262-A272 WeakPolarHBondContact CD-O 3.43Å; K262-A272 HydrophobicContact CG-CB 4.44Å; K262-F273 CarbonylContact C-O 3.59Å; K262-F273 VanDerWaalsContact C-O 3.28Å; K262-F273 VanDerWaalsContact CA-O 3.32Å; K262-F273 WeakPolarHBondContact CA-O 3.47Å
263	P	81.8	Confident	80	Confident	73 Å²	73	83.4 Å²	83.4	47%	0.474	43%	0.431	S	S	.	.			trans	-65	-21.8	-174.8	-22.5	35.1	0	0	0	114.1
264	F	81	Confident	80	Confident	64 Å²	64	80 Å²	80	28%	0.281	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	88.7	-172.1	-55.1	-77.9	0	0	0	110.2	K262 A272 F273 S276 L279	K262-F264 PolarHBondContact O-N 3.03Å; F264-A272 CarbonylContact O-C 3.37Å; F264-A272 WeakPolarHBondContact O-CA 3.26Å; F264-F273 HydrophobicContact CB-CB 4.46Å; F264-F273 WeakPolarHBondContact CB-O 3.34Å; F264-F273 WeakPolarHBondContact CD2-O 3.48Å; F264-F273 PolarHBondContact N-O 2.79Å; F264-F273 PolarHBondContact O-N 3.05Å; F264-S276 VanDerWaalsContact CD2-N 3.35Å; F264-L279 HydrophobicContact CB-CB 3.99Å; F264-L279 HydrophobicContact CB-CD2 3.82Å
265	K	83.3	Confident	80.1	Confident	157 Å²	157	80.4 Å²	80.4	68%	0.683	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	152.9	175.7	-60.6	-175.6	-179.7	-179.9	0	111.1	A272 L279	K265-A272 HydrophobicContact CG-CB 3.94Å; K265-L279 WeakPolarHBondContact O-CD1 3.38Å; K265-L279 WeakPolarHBondContact O-CD2 3.23Å
266	C	85.6	Confident	80.2	Confident	11 Å²	11	80.2 Å²	80.2	7%	0.074	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.3	171.1	-172.9	0	0	0	0	110.4	T268 C269 K271 L279	C266-T268 PolarHBondContact O-N 3.17Å; C266-C269 WeakPolarHBondContact CB-O 3.5Å; C266-K271 WeakPolarHBondContact CB-O 3.36Å; C266-K271 PolarHBondContact N-O 2.83Å; C266-L279 HydrophobicContact CB-CD1 3.69Å
267	D	80.4	Confident	80	Confident	143 Å²	143	80.3 Å²	80.3	77%	0.765	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-9.2	-178.3	-40.2	-70.4	0	0	0	112.5
268	T	78.4	Confident	80.1	Confident	89 Å²	89	79.7 Å²	79.7	55%	0.546	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-12	-176.4	-33.5	0	0	0	0	113.4	C266 H286	C266-T268 PolarHBondContact O-N 3.17Å; T268-H286 HydrophobicContact CG2-CB 4.27Å
269	C	83.6	Confident	80.2	Confident	33 Å²	33	76.9 Å²	76.9	22%	0.223	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	162.2	171.1	71.1	0	0	0	0	111.4	C266 K271 H282 H286	C266-C269 WeakPolarHBondContact CB-O 3.5Å; C269-K271 PolarHBondContact O-N 2.9Å; C269-H282 PolarHBondContact SG-NE2 3.5Å; C269-H286 WeakPolarHBondContact CB-NE2 3.23Å; C269-H286 PolarHBondContact SG-NE2 2.89Å
270	D	80.6	Confident	80.3	Confident	176 Å²	176	77.6 Å²	77.6	94%	0.941	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	15.4	-173	-48	-63.8	0	0	0	115.9
271	K	79	Confident	80.2	Confident	125 Å²	125	79.6 Å²	79.6	54%	0.543	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.7	-179.8	-67	-174.1	179.6	-177	0	111.3	C266 C269 F273	C266-K271 WeakPolarHBondContact CB-O 3.36Å; C266-K271 PolarHBondContact N-O 2.83Å; C269-K271 PolarHBondContact O-N 2.9Å; K271-F273 HydrophobicContact CB-CE2 3.87Å; K271-F273 HydrophobicContact CB-CZ 3.97Å
272	A	83.1	Confident	80.2	Confident	28 Å²	28	75.5 Å²	75.5	23%	0.231	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	145.7	175.8	0	0	0	0	0	112.1	K262 F264 K265	K262-A272 HydrophobicContact CB-CB 3.56Å; K262-A272 HydrophobicContact CD-CB 4.3Å; K262-A272 WeakPolarHBondContact CD-O 3.43Å; K262-A272 HydrophobicContact CG-CB 4.44Å; F264-A272 CarbonylContact O-C 3.37Å; F264-A272 WeakPolarHBondContact O-CA 3.26Å; K265-A272 HydrophobicContact CG-CB 3.94Å
273	F	82.4	Confident	79.9	Confident	47 Å²	47	72.4 Å²	72.4	21%	0.206	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.4	-173.7	-57.4	-90.7	0	0	0	111.3	K262 F264 K271 Q275 H278 L279 H282	K262-F273 CarbonylContact C-O 3.59Å; K262-F273 VanDerWaalsContact C-O 3.28Å; K262-F273 VanDerWaalsContact CA-O 3.32Å; K262-F273 WeakPolarHBondContact CA-O 3.47Å; F264-F273 HydrophobicContact CB-CB 4.46Å; F264-F273 WeakPolarHBondContact CB-O 3.34Å; F264-F273 WeakPolarHBondContact CD2-O 3.48Å; F264-F273 PolarHBondContact N-O 2.79Å; F264-F273 PolarHBondContact O-N 3.05Å; K271-F273 HydrophobicContact CB-CE2 3.87Å; K271-F273 HydrophobicContact CB-CZ 3.97Å; F273-Q275 VanDerWaalsContact C-N 3.32Å; F273-H278 HydrophobicContact CB-CB 4.16Å; F273-H278 HydrophobicContact CD1-CB 3.91Å; F273-H278 HydrophobicContact CG-CB 4.25Å; F273-L279 HydrophobicContact CD2-CB 4.09Å; F273-L279 HydrophobicContact CD2-CD1 4.08Å; F273-L279 HydrophobicContact CE2-CD1 4.32Å; F273-H282 HydrophobicContact CE1-CB 4.14Å; F273-H282 HydrophobicContact CE2-CB 3.8Å; F273-H282 AromaticContact CE2-CD2 3.3Å; F273-H282 WeakPolarHBondContact CE2-CD2 3.45Å; F273-H282 AromaticContact CE2-CG 3.66Å; F273-H282 HydrophobicContact CZ-CB 3.49Å; F273-H282 VanDerWaalsContact CZ-CB 3.49Å; F273-H282 AromaticContact CZ-CD2 3.41Å; F273-H282 VanDerWaalsContact CZ-CD2 3.41Å; F273-H282 WeakPolarHBondContact CZ-CD2 3.49Å; F273-H282 AromaticContact CZ-CG 3.34Å
274	S	81.2	Confident	79.3	Confident	31 Å²	31	74.1 Å²	74.1	22%	0.217	38%	0.379	C	S	.	.	S	Bend	trans	-80.9	-9.5	176.9	54.9	0	0	0	0	114	R256	R256-S274 PolarHBondContact NH1-O 3.39Å
275	Q	82.1	Confident	78.7	Confident	42 Å²	42	74 Å²	74	20%	0.196	38%	0.384	C	S	.	.	S	Bend	trans	-138.3	136.3	-178.3	-56.7	-174.6	54.5	0	0	111.8	R253 F273 S277 H278 L279	R253-Q275 HydrophobicContact CG-CG 4.1Å; F273-Q275 VanDerWaalsContact C-N 3.32Å; Q275-S277 VanDerWaalsContact C-N 3.32Å; Q275-S277 PolarHBondContact O-N 3.44Å; Q275-H278 HydrophobicContact CB-CB 4.48Å; Q275-H278 PolarHBondContact NE2-CE1 3.02Å; Q275-H278 PolarHBondContact O-N 2.92Å; Q275-H278 VanDerWaalsContact O-N 3.12Å; Q275-L279 PolarHBondContact O-N 3.06Å
276	S	79.8	Confident	78.2	Confident	59 Å²	59	70.8 Å²	70.8	41%	0.413	37%	0.371	S	S	.	.	H	α-helix	trans	-58.9	-38.7	177	177	0	0	0	0	113	F264 H278 L279 Q280	F264-S276 VanDerWaalsContact CD2-N 3.35Å; S276-H278 VanDerWaalsContact C-N 3.25Å; S276-H278 PolarHBondContact O-N 3.16Å; S276-L279 WeakPolarHBondContact O-CB 3.37Å; S276-L279 PolarHBondContact O-N 2.88Å; S276-L279 VanDerWaalsContact O-N 3.14Å; S276-Q280 WeakPolarHBondContact O-CB 3.4Å; S276-Q280 WeakPolarHBondContact O-CG 3.24Å; S276-Q280 PolarHBondContact O-N 2.74Å
277	S	76.8	Confident	77.2	Confident	69 Å²	69	72.2 Å²	72.2	48%	0.483	38%	0.381	S	S	.	.	H	α-helix	trans	-59.1	-33.9	175.9	53.7	0	0	0	0	113.4	Q275 H281	Q275-S277 VanDerWaalsContact C-N 3.32Å; Q275-S277 PolarHBondContact O-N 3.44Å; S277-H281 WeakPolarHBondContact O-CB 3.24Å; S277-H281 PolarHBondContact O-N 3.46Å
278	H	78.8	Confident	76.3	Confident	90 Å²	90	72.5 Å²	72.5	42%	0.417	38%	0.383	S	S	.	.	H	α-helix	trans	-76.4	-36.7	176.5	-64.1	172.4	0	0	0	111.8	F273 Q275 S276 H281 H282	F273-H278 HydrophobicContact CB-CB 4.16Å; F273-H278 HydrophobicContact CD1-CB 3.91Å; F273-H278 HydrophobicContact CG-CB 4.25Å; Q275-H278 HydrophobicContact CB-CB 4.48Å; Q275-H278 PolarHBondContact NE2-CE1 3.02Å; Q275-H278 PolarHBondContact O-N 2.92Å; Q275-H278 VanDerWaalsContact O-N 3.12Å; S276-H278 VanDerWaalsContact C-N 3.25Å; S276-H278 PolarHBondContact O-N 3.16Å; H278-H281 PolarHBondContact O-N 3.32Å; H278-H282 WeakPolarHBondContact O-CB 2.97Å; H278-H282 PolarHBondContact O-N 3.41Å
279	L	78.9	Confident	75.4	Confident	18 Å²	18	74.8 Å²	74.8	9%	0.094	39%	0.387	C	S	.	.	H	α-helix	trans	-62.2	-50	171	172.3	61.8	0	0	0	111	F264 K265 C266 F273 Q275 S276 H281 H282 Q283	F264-L279 HydrophobicContact CB-CB 3.99Å; F264-L279 HydrophobicContact CB-CD2 3.82Å; K265-L279 WeakPolarHBondContact O-CD1 3.38Å; K265-L279 WeakPolarHBondContact O-CD2 3.23Å; C266-L279 HydrophobicContact CB-CD1 3.69Å; F273-L279 HydrophobicContact CD2-CB 4.09Å; F273-L279 HydrophobicContact CD2-CD1 4.08Å; F273-L279 HydrophobicContact CE2-CD1 4.32Å; Q275-L279 PolarHBondContact O-N 3.06Å; S276-L279 WeakPolarHBondContact O-CB 3.37Å; S276-L279 PolarHBondContact O-N 2.88Å; S276-L279 VanDerWaalsContact O-N 3.14Å; L279-H281 VanDerWaalsContact C-N 3.26Å; L279-H281 PolarHBondContact O-N 3.2Å; L279-H282 CarbonylContact O-C 3.58Å; L279-H282 WeakPolarHBondContact O-CA 3.22Å; L279-H282 WeakPolarHBondContact O-CB 3.16Å; L279-H282 PolarHBondContact O-N 2.59Å; L279-Q283 HydrophobicContact CD1-CG 4.06Å; L279-Q283 HydrophobicContact CG-CG 4.41Å; L279-Q283 WeakPolarHBondContact O-CG 3.24Å; L279-Q283 PolarHBondContact O-N 3.13Å
280	Q	75.8	Confident	74.7	Confident	102 Å²	102	80 Å²	80	48%	0.477	40%	0.402	S	S	.	.	H	α-helix	trans	-54.4	-40.6	174.4	-81.3	-90.4	-32	0	0	112.7	S276	S276-Q280 WeakPolarHBondContact O-CB 3.4Å; S276-Q280 WeakPolarHBondContact O-CG 3.24Å; S276-Q280 PolarHBondContact O-N 2.74Å
281	H	72.6	Confident	74.2	Confident	86 Å²	86	75.6 Å²	75.6	40%	0.398	38%	0.383	S	S	.	.	H	α-helix	trans	-67.9	-40.1	174.5	-174.5	98	0	0	0	112.1	S277 H278 L279 R284 H303	S277-H281 WeakPolarHBondContact O-CB 3.24Å; S277-H281 PolarHBondContact O-N 3.46Å; H278-H281 PolarHBondContact O-N 3.32Å; L279-H281 VanDerWaalsContact C-N 3.26Å; L279-H281 PolarHBondContact O-N 3.2Å; H281-R284 PolarHBondContact O-N 2.97Å; H281-H303 AromaticContact CD2-CE1 3.85Å; H281-H303 AromaticContact CE1-CD2 3.76Å; H281-H303 AromaticContact CE1-CE1 3.28Å; H281-H303 PolarHBondContact CE1-CE1 3.44Å; H281-H303 AromaticContact CE1-CG 3.56Å; H281-H303 AromaticContact CE1-ND1 3.23Å; H281-H303 PolarHBondContact CE1-ND1 3.18Å; H281-H303 AromaticContact CE1-NE2 3.66Å; H281-H303 AromaticContact ND1-CE1 3.81Å; H281-H303 AromaticContact ND1-ND1 3.75Å; H281-H303 AromaticContact NE2-CD2 3.75Å; H281-H303 AromaticContact NE2-CE1 3.3Å; H281-H303 PolarHBondContact NE2-CE1 3.14Å; H281-H303 VanDerWaalsContact NE2-CE1 3.3Å; H281-H303 AromaticContact NE2-ND1 3.73Å; H281-H303 AromaticContact NE2-NE2 3.34Å; H281-H303 PolarHBondContact NE2-NE2 3.28Å
282	H	78	Confident	73.7	Confident	19 Å²	19	72.5 Å²	72.5	9%	0.088	37%	0.37	C	S	.	.	H	α-helix	trans	-69.9	-36.5	177.9	176.4	51.5	0	0	0	113.2	C269 F273 H278 L279 R284 T285	C269-H282 PolarHBondContact SG-NE2 3.5Å; F273-H282 HydrophobicContact CE1-CB 4.14Å; F273-H282 HydrophobicContact CE2-CB 3.8Å; F273-H282 AromaticContact CE2-CD2 3.3Å; F273-H282 WeakPolarHBondContact CE2-CD2 3.45Å; F273-H282 AromaticContact CE2-CG 3.66Å; F273-H282 HydrophobicContact CZ-CB 3.49Å; F273-H282 VanDerWaalsContact CZ-CB 3.49Å; F273-H282 AromaticContact CZ-CD2 3.41Å; F273-H282 VanDerWaalsContact CZ-CD2 3.41Å; F273-H282 WeakPolarHBondContact CZ-CD2 3.49Å; F273-H282 AromaticContact CZ-CG 3.34Å; H278-H282 WeakPolarHBondContact O-CB 2.97Å; H278-H282 PolarHBondContact O-N 3.41Å; L279-H282 CarbonylContact O-C 3.58Å; L279-H282 WeakPolarHBondContact O-CA 3.22Å; L279-H282 WeakPolarHBondContact O-CB 3.16Å; L279-H282 PolarHBondContact O-N 2.59Å; H282-R284 PolarHBondContact O-N 3.26Å; H282-T285 PolarHBondContact CE1-OG1 3.2Å; H282-T285 VanDerWaalsContact CE1-OG1 3.32Å; H282-T285 PolarHBondContact ND1-OG1 3.38Å; H282-T285 VanDerWaalsContact ND1-OG1 3.09Å; H282-T285 WeakPolarHBondContact O-CA 3.31Å; H282-T285 VanDerWaalsContact O-CB 3.26Å; H282-T285 WeakPolarHBondContact O-CB 3.42Å; H282-T285 WeakPolarHBondContact O-CG2 3.47Å; H282-T285 PolarHBondContact O-N 3.22Å; H282-T285 PolarHBondContact O-OG1 2.98Å
283	Q	74.2	Confident	73	Confident	58 Å²	58	78.1 Å²	78.1	27%	0.271	39%	0.389	S	S	.	.	H	α-helix	trans	-58.4	-32.6	175.8	-76.2	166.3	-34.8	0	0	111.8	L279 T285 H286 S287	L279-Q283 HydrophobicContact CD1-CG 4.06Å; L279-Q283 HydrophobicContact CG-CG 4.41Å; L279-Q283 WeakPolarHBondContact O-CG 3.24Å; L279-Q283 PolarHBondContact O-N 3.13Å; Q283-T285 PolarHBondContact O-N 3.06Å; Q283-H286 WeakPolarHBondContact O-CB 3.14Å; Q283-H286 PolarHBondContact O-N 2.92Å; Q283-S287 PolarHBondContact O-N 3.4Å
284	R	70.8	Confident	72.2	Confident	109 Å²	109	76.1 Å²	76.1	41%	0.411	38%	0.381	S	S	.	.	H	α-helix	trans	-66.1	-13.8	171.1	-57.9	173.5	-164.8	172	4.5	113.8	H281 H282 K302	H281-R284 PolarHBondContact O-N 2.97Å; H282-R284 PolarHBondContact O-N 3.26Å; R284-K302 WeakPolarHBondContact O-CD 3.45Å; R284-K302 PolarHBondContact O-NZ 3.11Å
285	T	67.7	Low	71.5	Confident	62 Å²	62	79.5 Å²	79.5	38%	0.38	41%	0.411	S	S	.	.	H	α-helix	trans	-75.2	-28.3	170.7	72.2	0	0	0	0	111.8	H282 Q283 K302	H282-T285 PolarHBondContact CE1-OG1 3.2Å; H282-T285 VanDerWaalsContact CE1-OG1 3.32Å; H282-T285 PolarHBondContact ND1-OG1 3.38Å; H282-T285 VanDerWaalsContact ND1-OG1 3.09Å; H282-T285 WeakPolarHBondContact O-CA 3.31Å; H282-T285 VanDerWaalsContact O-CB 3.26Å; H282-T285 WeakPolarHBondContact O-CB 3.42Å; H282-T285 WeakPolarHBondContact O-CG2 3.47Å; H282-T285 PolarHBondContact O-N 3.22Å; H282-T285 PolarHBondContact O-OG1 2.98Å; Q283-T285 PolarHBondContact O-N 3.06Å; T285-K302 VanDerWaalsContact C-NZ 3.34Å; T285-K302 PolarHBondContact O-NZ 3.47Å
286	H	73.1	Confident	70.6	Confident	90 Å²	90	82.3 Å²	82.3	42%	0.417	43%	0.43	S	S	.	.	H	α-helix	trans	-80.8	-37.2	173.5	-62.7	-70.6	0	0	0	113.2	T268 C269 Q283	T268-H286 HydrophobicContact CG2-CB 4.27Å; C269-H286 WeakPolarHBondContact CB-NE2 3.23Å; C269-H286 PolarHBondContact SG-NE2 2.89Å; Q283-H286 WeakPolarHBondContact O-CB 3.14Å; Q283-H286 PolarHBondContact O-N 2.92Å
287	S	64.5	Low	69.9	Low	40 Å²	40	81.6 Å²	81.6	28%	0.28	43%	0.425	S	S	.	.	S	Bend	trans	-70.1	143.3	172.5	83.7	0	0	0	0	111.2	Q283 E289 K302	Q283-S287 PolarHBondContact O-N 3.4Å; S287-E289 PolarHBondContact O-N 3.48Å; S287-K302 PolarHBondContact O-NZ 3.16Å
288	N	60.9	Low	69.6	Low	150 Å²	150	86 Å²	86	80%	0.802	44%	0.438	S	S	*	.			trans	-79	-1.4	175.4	-84.6	-39.4	0	0	0	113.4
289	E	60.1	Low	69.1	Low	137 Å²	137	87.8 Å²	87.8	64%	0.64	44%	0.444	S	S	*	.			trans	-64.8	137.7	-179.8	-59.6	-175.9	149.1	0	0	111.7	S287	S287-E289 PolarHBondContact O-N 3.48Å
290	R	68.6	Low	68.9	Low	141 Å²	141	88.4 Å²	88.4	53%	0.532	45%	0.45	S	S	.	.			trans	-132.9	75.8	178.6	-69.2	168.1	175.3	-138.2	12.6	108.3	F292 S300 F301 K302	R290-F292 PolarHBondContact O-N 2.94Å; R290-F292 VanDerWaalsContact O-N 3.12Å; R290-S300 WeakPolarHBondContact CD-O 3.46Å; R290-S300 PolarHBondContact NH1-O 2.93Å; R290-F301 CarbonylContact C-O 3.59Å; R290-F301 VanDerWaalsContact C-O 3.27Å; R290-F301 WeakPolarHBondContact CA-O 3.48Å; R290-K302 HydrophobicContact CG-CG 4Å
291	P	69.9	Low	68.8	Low	85 Å²	85	85.7 Å²	85.7	55%	0.552	44%	0.437	S	S	*	.			trans	-63.6	-22.9	-168	-23.9	35.4	0	0	0	114	K293	P291-K293 PolarHBondContact O-N 3.2Å
292	F	69.1	Low	68.5	Low	59 Å²	59	83.6 Å²	83.6	26%	0.259	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	93.2	-171.9	-55.3	-75.9	0	0	0	110.4	R290 F301 H303 R304 L307	R290-F292 PolarHBondContact O-N 2.94Å; R290-F292 VanDerWaalsContact O-N 3.12Å; F292-F301 HydrophobicContact CB-CB 4.4Å; F292-F301 PolarHBondContact N-O 3.46Å; F292-F301 PolarHBondContact O-N 3.33Å; F292-H303 VanDerWaalsContact CD2-C 3.45Å; F292-R304 HydrophobicContact CD1-CB 3.81Å; F292-R304 HydrophobicContact CD1-CG 4.37Å; F292-R304 HydrophobicContact CE1-CB 3.76Å; F292-R304 HydrophobicContact CE1-CG 4.47Å; F292-R304 HydrophobicContact CG-CB 4.29Å; F292-R304 HydrophobicContact CZ-CB 4.19Å; F292-L307 HydrophobicContact CB-CB 3.97Å; F292-L307 HydrophobicContact CB-CD2 3.83Å; F292-L307 HydrophobicContact CB-CG 4.49Å
293	K	68.4	Low	67.9	Low	147 Å²	147	83.6 Å²	83.6	64%	0.639	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	142.8	179.7	-55.3	-165.2	177.6	177	0	112.5	P291 S300 L307	P291-K293 PolarHBondContact O-N 3.2Å; K293-S300 WeakPolarHBondContact CG-OG 3.07Å; K293-L307 WeakPolarHBondContact O-CD2 3.24Å
294	C	65.4	Low	67.5	Low	4 Å²	4	86.8 Å²	86.8	3%	0.027	44%	0.437	C	S	.	.			trans	-77.1	123.5	168.8	176.3	0	0	0	0	110.7	V296 C297 E298 K299 L307 M311 H314	C294-V296 PolarHBondContact O-N 3.45Å; C294-V296 PolarHBondContact SG-N 3.35Å; C294-C297 PolarHBondContact SG-N 3.27Å; C294-C297 VanDerWaalsContact SG-SG 3.67Å; C294-E298 WeakPolarHBondContact O-CA 3.2Å; C294-E298 PolarHBondContact O-N 3.13Å; C294-K299 HydrophobicContact CB-CB 4.41Å; C294-K299 WeakPolarHBondContact CB-O 3.46Å; C294-K299 PolarHBondContact N-O 3.26Å; C294-L307 HydrophobicContact CB-CD1 3.95Å; C294-M311 HydrophobicContact CB-CE 3.73Å; C294-M311 WeakPolarHBondContact SG-CE 3.4Å; C294-H314 PolarHBondContact SG-NE2 3.36Å
295	A	65.4	Low	67	Low	103 Å²	103	85.1 Å²	85.1	85%	0.851	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.3	175.1	0	0	0	0	0	113.8
296	V	64.4	Low	66.9	Low	100 Å²	100	85.3 Å²	85.3	61%	0.606	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-29.4	-173.1	-174.8	0	0	0	0	113.2	C294 H314	C294-V296 PolarHBondContact O-N 3.45Å; C294-V296 PolarHBondContact SG-N 3.35Å; V296-H314 HydrophobicContact CG1-CB 4.15Å
297	C	64.9	Low	66.5	Low	45 Å²	45	82.3 Å²	82.3	30%	0.304	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.3	18.8	-179.5	77.1	0	0	0	0	114.3	C294 K299 H310 H314	C294-C297 PolarHBondContact SG-N 3.27Å; C294-C297 VanDerWaalsContact SG-SG 3.67Å; C297-K299 PolarHBondContact O-N 2.89Å; C297-H310 PolarHBondContact SG-NE2 3.01Å; C297-H314 PolarHBondContact SG-CE1 2.97Å; C297-H314 PolarHBondContact SG-NE2 2.89Å; C297-H314 VanDerWaalsContact SG-NE2 3.37Å
298	E	70.4	Confident	66.4	Low	162 Å²	162	82.7 Å²	82.7	76%	0.757	43%	0.425	S	S	*	.			trans	60.2	-4	172.3	-55.2	-172.5	157.9	0	0	116.8	C294 S300	C294-E298 WeakPolarHBondContact O-CA 3.2Å; C294-E298 PolarHBondContact O-N 3.13Å; E298-S300 PolarHBondContact O-N 3.4Å; E298-S300 VanDerWaalsContact O-N 3.16Å; E298-S300 PolarHBondContact O-OG 3.18Å
299	K	68.2	Low	66.5	Low	126 Å²	126	80.1 Å²	80.1	55%	0.548	40%	0.404	S	S	.	.			trans	-54.3	123.8	176.1	-73.1	-178.6	-174.4	175	0	110.3	C294 C297 F301	C294-K299 HydrophobicContact CB-CB 4.41Å; C294-K299 WeakPolarHBondContact CB-O 3.46Å; C294-K299 PolarHBondContact N-O 3.26Å; C297-K299 PolarHBondContact O-N 2.89Å; K299-F301 HydrophobicContact CB-CE2 3.75Å; K299-F301 HydrophobicContact CB-CZ 3.94Å; K299-F301 WeakPolarHBondContact O-CD2 3.15Å; K299-F301 WeakPolarHBondContact O-CE2 3.31Å
300	S	74.6	Confident	66.7	Low	31 Å²	31	74.6 Å²	74.6	22%	0.217	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.9	-175.1	-54.5	0	0	0	0	110.6	R290 K293 E298	R290-S300 WeakPolarHBondContact CD-O 3.46Å; R290-S300 PolarHBondContact NH1-O 2.93Å; K293-S300 WeakPolarHBondContact CG-OG 3.07Å; E298-S300 PolarHBondContact O-N 3.4Å; E298-S300 VanDerWaalsContact O-N 3.16Å; E298-S300 PolarHBondContact O-OG 3.18Å
301	F	73.4	Confident	66.2	Low	45 Å²	45	70.5 Å²	70.5	20%	0.197	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	150.3	-175.3	-60.5	-90.4	0	0	0	111.6	R290 F292 K299 H303 H306 L307 H310	R290-F301 CarbonylContact C-O 3.59Å; R290-F301 VanDerWaalsContact C-O 3.27Å; R290-F301 WeakPolarHBondContact CA-O 3.48Å; F292-F301 HydrophobicContact CB-CB 4.4Å; F292-F301 PolarHBondContact N-O 3.46Å; F292-F301 PolarHBondContact O-N 3.33Å; K299-F301 HydrophobicContact CB-CE2 3.75Å; K299-F301 HydrophobicContact CB-CZ 3.94Å; K299-F301 WeakPolarHBondContact O-CD2 3.15Å; K299-F301 WeakPolarHBondContact O-CE2 3.31Å; F301-H303 VanDerWaalsContact C-N 3.33Å; F301-H306 HydrophobicContact CB-CB 4.21Å; F301-H306 HydrophobicContact CD1-CB 3.94Å; F301-H306 HydrophobicContact CG-CB 4.34Å; F301-L307 HydrophobicContact CB-CB 4.38Å; F301-L307 HydrophobicContact CD2-CB 4.09Å; F301-L307 HydrophobicContact CD2-CD1 3.88Å; F301-L307 HydrophobicContact CE2-CD1 4.16Å; F301-L307 HydrophobicContact CG-CB 4.41Å; F301-H310 HydrophobicContact CE1-CB 4.04Å; F301-H310 HydrophobicContact CE2-CB 3.9Å; F301-H310 AromaticContact CE2-CD2 3.25Å; F301-H310 WeakPolarHBondContact CE2-CD2 3.45Å; F301-H310 AromaticContact CE2-CG 3.7Å; F301-H310 HydrophobicContact CZ-CB 3.51Å; F301-H310 AromaticContact CZ-CD2 3.28Å; F301-H310 WeakPolarHBondContact CZ-CD2 3.35Å; F301-H310 AromaticContact CZ-CG 3.3Å
302	K	65.8	Low	66	Low	42 Å²	42	68.8 Å²	68.8	18%	0.183	35%	0.349	C	S	.	.	S	Bend	trans	-74.9	-19.7	176.7	-63.9	-167.1	165.3	-146.8	0	113.7	R284 T285 S287 R290	R284-K302 WeakPolarHBondContact O-CD 3.45Å; R284-K302 PolarHBondContact O-NZ 3.11Å; T285-K302 VanDerWaalsContact C-NZ 3.34Å; T285-K302 PolarHBondContact O-NZ 3.47Å; S287-K302 PolarHBondContact O-NZ 3.16Å; R290-K302 HydrophobicContact CG-CG 4Å
303	H	65.2	Low	65.4	Low	20 Å²	20	70.1 Å²	70.1	9%	0.093	36%	0.361	C	S	.	.	S	Bend	trans	-139.1	141.3	-174.9	-48.4	-47.6	0	0	0	112	H281 F292 F301 S305 H306 L307	H281-H303 AromaticContact CD2-CE1 3.85Å; H281-H303 AromaticContact CE1-CD2 3.76Å; H281-H303 AromaticContact CE1-CE1 3.28Å; H281-H303 PolarHBondContact CE1-CE1 3.44Å; H281-H303 AromaticContact CE1-CG 3.56Å; H281-H303 AromaticContact CE1-ND1 3.23Å; H281-H303 PolarHBondContact CE1-ND1 3.18Å; H281-H303 AromaticContact CE1-NE2 3.66Å; H281-H303 AromaticContact ND1-CE1 3.81Å; H281-H303 AromaticContact ND1-ND1 3.75Å; H281-H303 AromaticContact NE2-CD2 3.75Å; H281-H303 AromaticContact NE2-CE1 3.3Å; H281-H303 PolarHBondContact NE2-CE1 3.14Å; H281-H303 VanDerWaalsContact NE2-CE1 3.3Å; H281-H303 AromaticContact NE2-ND1 3.73Å; H281-H303 AromaticContact NE2-NE2 3.34Å; H281-H303 PolarHBondContact NE2-NE2 3.28Å; F292-H303 VanDerWaalsContact CD2-C 3.45Å; F301-H303 VanDerWaalsContact C-N 3.33Å; H303-S305 VanDerWaalsContact C-N 3.32Å; H303-S305 PolarHBondContact O-N 3.45Å; H303-H306 AromaticContact CD2-CE1 3.75Å; H303-H306 AromaticContact CD2-ND1 3.76Å; H303-H306 WeakPolarHBondContact O-CB 3.48Å; H303-H306 PolarHBondContact O-N 3.11Å; H303-H306 VanDerWaalsContact O-N 3.09Å; H303-L307 PolarHBondContact O-N 3.46Å
304	R	65.8	Low	64.6	Low	125 Å²	125	66.6 Å²	66.6	47%	0.472	35%	0.347	S	S	.	.	H	α-helix	trans	-58.9	-39	178.2	-174.8	169.5	166.9	138	-10.3	112.7	E152 F292 H306 L307 V308	E152-R304 IonicContact OE1-CZ 2.92Å; E152-R304 IonicContact OE1-NH1 3.37Å; E152-R304 IonicContact OE1-NH2 3.17Å; E152-R304 PolarHBondContact OE1-NH2 2.78Å; F292-R304 HydrophobicContact CD1-CB 3.81Å; F292-R304 HydrophobicContact CD1-CG 4.37Å; F292-R304 HydrophobicContact CE1-CB 3.76Å; F292-R304 HydrophobicContact CE1-CG 4.47Å; F292-R304 HydrophobicContact CG-CB 4.29Å; F292-R304 HydrophobicContact CZ-CB 4.19Å; R304-H306 VanDerWaalsContact C-N 3.27Å; R304-H306 PolarHBondContact O-N 2.74Å; R304-L307 WeakPolarHBondContact O-CB 3.45Å; R304-L307 PolarHBondContact O-N 3.03Å; R304-L307 VanDerWaalsContact O-N 3.16Å; R304-V308 HydrophobicContact CG-CG2 4.32Å; R304-V308 WeakPolarHBondContact O-CG2 3.24Å; R304-V308 PolarHBondContact O-N 2.89Å
305	S	60.6	Low	64.3	Low	74 Å²	74	69.5 Å²	69.5	52%	0.517	37%	0.367	S	S	.	.	H	α-helix	trans	-58.4	-36.8	174.9	53.4	0	0	0	0	113	H303 R309	H303-S305 VanDerWaalsContact C-N 3.32Å; H303-S305 PolarHBondContact O-N 3.45Å; S305-R309 VanDerWaalsContact O-CB 3.32Å; S305-R309 WeakPolarHBondContact O-CB 3.2Å; S305-R309 PolarHBondContact O-N 3.41Å
306	H	66.7	Low	63.5	Low	65 Å²	65	67 Å²	67	30%	0.301	35%	0.352	S	S	.	.	H	α-helix	trans	-74.1	-34.8	177.1	-67.7	-175.5	0	0	0	112.4	F301 H303 R304 R309 H310	F301-H306 HydrophobicContact CB-CB 4.21Å; F301-H306 HydrophobicContact CD1-CB 3.94Å; F301-H306 HydrophobicContact CG-CB 4.34Å; H303-H306 AromaticContact CD2-CE1 3.75Å; H303-H306 AromaticContact CD2-ND1 3.76Å; H303-H306 WeakPolarHBondContact O-CB 3.48Å; H303-H306 PolarHBondContact O-N 3.11Å; H303-H306 VanDerWaalsContact O-N 3.09Å; R304-H306 VanDerWaalsContact C-N 3.27Å; R304-H306 PolarHBondContact O-N 2.74Å; H306-R309 PolarHBondContact CD2-NH2 2.95Å; H306-R309 PolarHBondContact NE2-NH2 3.27Å; H306-H310 VanDerWaalsContact O-CB 3.3Å; H306-H310 WeakPolarHBondContact O-CB 3.26Å; H306-H310 PolarHBondContact O-N 3.06Å
307	L	63.8	Low	62.8	Low	28 Å²	28	67.5 Å²	67.5	15%	0.147	35%	0.348	C	S	.	.	H	α-helix	trans	-64.2	-49.3	171	173.2	63.6	0	0	0	110.6	F292 K293 C294 F301 H303 R304 R309 H310 M311	F292-L307 HydrophobicContact CB-CB 3.97Å; F292-L307 HydrophobicContact CB-CD2 3.83Å; F292-L307 HydrophobicContact CB-CG 4.49Å; K293-L307 WeakPolarHBondContact O-CD2 3.24Å; C294-L307 HydrophobicContact CB-CD1 3.95Å; F301-L307 HydrophobicContact CB-CB 4.38Å; F301-L307 HydrophobicContact CD2-CB 4.09Å; F301-L307 HydrophobicContact CD2-CD1 3.88Å; F301-L307 HydrophobicContact CE2-CD1 4.16Å; F301-L307 HydrophobicContact CG-CB 4.41Å; H303-L307 PolarHBondContact O-N 3.46Å; R304-L307 WeakPolarHBondContact O-CB 3.45Å; R304-L307 PolarHBondContact O-N 3.03Å; R304-L307 VanDerWaalsContact O-N 3.16Å; L307-R309 PolarHBondContact O-N 3.22Å; L307-H310 CarbonylContact O-C 3.45Å; L307-H310 WeakPolarHBondContact O-CA 3.46Å; L307-H310 WeakPolarHBondContact O-CB 3.32Å; L307-H310 PolarHBondContact O-N 3.5Å; L307-M311 HydrophobicContact CD1-CE 3.49Å; L307-M311 VanDerWaalsContact CD1-CE 3.49Å; L307-M311 HydrophobicContact CD1-SD 4.24Å; L307-M311 HydrophobicContact CG-CE 4.41Å; L307-M311 WeakPolarHBondContact O-CE 3.37Å; L307-M311 PolarHBondContact O-N 3.44Å
308	V	63.5	Low	62.1	Low	47 Å²	47	68.4 Å²	68.4	29%	0.285	35%	0.347	S	S	.	.	H	α-helix	trans	-58.2	-49.5	177.3	171.5	0	0	0	0	110.6	R304 H310 M311 Y312	R304-V308 HydrophobicContact CG-CG2 4.32Å; R304-V308 WeakPolarHBondContact O-CG2 3.24Å; R304-V308 PolarHBondContact O-N 2.89Å; V308-H310 PolarHBondContact O-N 3.47Å; V308-H310 VanDerWaalsContact O-N 3.17Å; V308-M311 PolarHBondContact O-N 3.45Å; V308-Y312 HydrophobicContact CG1-CE2 4.12Å; V308-Y312 WeakPolarHBondContact CG1-OH 3.38Å; V308-Y312 WeakPolarHBondContact O-CD2 3.48Å; V308-Y312 VanDerWaalsContact O-CE2 3.23Å; V308-Y312 WeakPolarHBondContact O-CE2 3.36Å
309	R	61.8	Low	61.3	Low	97 Å²	97	61.7 Å²	61.7	37%	0.366	32%	0.317	S	S	.	.	H	α-helix	trans	-56.5	-32	173.2	-172.5	177.8	61.6	-154.9	-10	113.1	S305 H306 L307 Y312 E331	S305-R309 VanDerWaalsContact O-CB 3.32Å; S305-R309 WeakPolarHBondContact O-CB 3.2Å; S305-R309 PolarHBondContact O-N 3.41Å; H306-R309 PolarHBondContact CD2-NH2 2.95Å; H306-R309 PolarHBondContact NE2-NH2 3.27Å; L307-R309 PolarHBondContact O-N 3.22Å; R309-Y312 WeakPolarHBondContact O-CD2 3.09Å; R309-E331 IonicContact CZ-OE1 3.67Å; R309-E331 IonicContact NH1-OE1 2.88Å; R309-E331 PolarHBondContact NH1-OE1 3.38Å
310	H	64.7	Low	60.6	Low	21 Å²	21	56.8 Å²	56.8	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-75.7	-28.3	176.4	175.3	48.3	0	0	0	113.3	C297 F301 H306 L307 V308 Y312 V313 H314	C297-H310 PolarHBondContact SG-NE2 3.01Å; F301-H310 HydrophobicContact CE1-CB 4.04Å; F301-H310 HydrophobicContact CE2-CB 3.9Å; F301-H310 AromaticContact CE2-CD2 3.25Å; F301-H310 WeakPolarHBondContact CE2-CD2 3.45Å; F301-H310 AromaticContact CE2-CG 3.7Å; F301-H310 HydrophobicContact CZ-CB 3.51Å; F301-H310 AromaticContact CZ-CD2 3.28Å; F301-H310 WeakPolarHBondContact CZ-CD2 3.35Å; F301-H310 AromaticContact CZ-CG 3.3Å; H306-H310 VanDerWaalsContact O-CB 3.3Å; H306-H310 WeakPolarHBondContact O-CB 3.26Å; H306-H310 PolarHBondContact O-N 3.06Å; L307-H310 CarbonylContact O-C 3.45Å; L307-H310 WeakPolarHBondContact O-CA 3.46Å; L307-H310 WeakPolarHBondContact O-CB 3.32Å; L307-H310 PolarHBondContact O-N 3.5Å; V308-H310 PolarHBondContact O-N 3.47Å; V308-H310 VanDerWaalsContact O-N 3.17Å; H310-Y312 PolarHBondContact O-N 3.33Å; H310-V313 VanDerWaalsContact O-CB 3.28Å; H310-V313 WeakPolarHBondContact O-CB 3.37Å; H310-V313 WeakPolarHBondContact O-CG2 3.07Å; H310-V313 PolarHBondContact O-N 3.33Å; H310-H314 AromaticContact CE1-NE2 3.46Å; H310-H314 PolarHBondContact CE1-NE2 2.99Å; H310-H314 AromaticContact NE2-NE2 3.2Å; H310-H314 PolarHBondContact NE2-NE2 3.38Å
311	M	58.6	Low	59.2	Low	54 Å²	54	59.5 Å²	59.5	27%	0.266	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-29.9	179.5	-63.7	-52.2	83	0	0	112.3	C294 L307 V308 V313 H314 S315	C294-M311 HydrophobicContact CB-CE 3.73Å; C294-M311 WeakPolarHBondContact SG-CE 3.4Å; L307-M311 HydrophobicContact CD1-CE 3.49Å; L307-M311 VanDerWaalsContact CD1-CE 3.49Å; L307-M311 HydrophobicContact CD1-SD 4.24Å; L307-M311 HydrophobicContact CG-CE 4.41Å; L307-M311 WeakPolarHBondContact O-CE 3.37Å; L307-M311 PolarHBondContact O-N 3.44Å; V308-M311 PolarHBondContact O-N 3.45Å; M311-V313 PolarHBondContact O-N 3.35Å; M311-V313 VanDerWaalsContact O-N 3.13Å; M311-H314 WeakPolarHBondContact O-CA 3.5Å; M311-H314 WeakPolarHBondContact O-CB 2.89Å; M311-H314 PolarHBondContact O-N 3.14Å; M311-S315 PolarHBondContact O-N 2.62Å; M311-S315 VanDerWaalsContact O-N 3.08Å
312	Y	64.8	Low	58.2	Low	50 Å²	50	57.8 Å²	57.8	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-12.8	173.8	-48	-55.8	0	0	0	114.3	V308 R309 H310 H314 G316 L319	V308-Y312 HydrophobicContact CG1-CE2 4.12Å; V308-Y312 WeakPolarHBondContact CG1-OH 3.38Å; V308-Y312 WeakPolarHBondContact O-CD2 3.48Å; V308-Y312 VanDerWaalsContact O-CE2 3.23Å; V308-Y312 WeakPolarHBondContact O-CE2 3.36Å; R309-Y312 WeakPolarHBondContact O-CD2 3.09Å; H310-Y312 PolarHBondContact O-N 3.33Å; Y312-H314 VanDerWaalsContact C-N 3.27Å; Y312-G316 PolarHBondContact O-N 2.8Å; Y312-L319 HydrophobicContact CD1-CD1 4.39Å; Y312-L319 HydrophobicContact CD1-CG 4.27Å; Y312-L319 HydrophobicContact CD2-CD1 4.48Å; Y312-L319 HydrophobicContact CE1-CD1 3.65Å; Y312-L319 HydrophobicContact CE1-CD2 4.18Å; Y312-L319 HydrophobicContact CE1-CG 3.92Å; Y312-L319 HydrophobicContact CE2-CD1 3.76Å; Y312-L319 HydrophobicContact CE2-CG 4.48Å; Y312-L319 WeakPolarHBondContact OH-CD1 3.11Å
313	V	56.6	Low	57.3	Low	86 Å²	86	60.2 Å²	60.2	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-73.4	-24.2	169.6	-176	0	0	0	0	111.2	H310 M311	H310-V313 VanDerWaalsContact O-CB 3.28Å; H310-V313 WeakPolarHBondContact O-CB 3.37Å; H310-V313 WeakPolarHBondContact O-CG2 3.07Å; H310-V313 PolarHBondContact O-N 3.33Å; M311-V313 PolarHBondContact O-N 3.35Å; M311-V313 VanDerWaalsContact O-N 3.13Å
314	H	52.8	Low	56.6	Low	73 Å²	73	66.1 Å²	66.1	34%	0.338	34%	0.343	S	S	.	.	H	α-helix	trans	-97.5	-38.4	-179.9	-56.5	-58.7	0	0	0	112.8	C294 V296 C297 H310 M311 Y312	C294-H314 PolarHBondContact SG-NE2 3.36Å; V296-H314 HydrophobicContact CG1-CB 4.15Å; C297-H314 PolarHBondContact SG-CE1 2.97Å; C297-H314 PolarHBondContact SG-NE2 2.89Å; C297-H314 VanDerWaalsContact SG-NE2 3.37Å; H310-H314 AromaticContact CE1-NE2 3.46Å; H310-H314 PolarHBondContact CE1-NE2 2.99Å; H310-H314 AromaticContact NE2-NE2 3.2Å; H310-H314 PolarHBondContact NE2-NE2 3.38Å; M311-H314 WeakPolarHBondContact O-CA 3.5Å; M311-H314 WeakPolarHBondContact O-CB 2.89Å; M311-H314 PolarHBondContact O-N 3.14Å; Y312-H314 VanDerWaalsContact C-N 3.27Å
315	S	57.3	Low	55.7	Low	65 Å²	65	62.4 Å²	62.4	46%	0.455	34%	0.336	S	S	.	.	H	α-helix	trans	-77.2	-22	178.5	64.8	0	0	0	0	113.9	M311 E317	M311-S315 PolarHBondContact O-N 2.62Å; M311-S315 VanDerWaalsContact O-N 3.08Å; S315-E317 PolarHBondContact O-N 2.8Å
316	G	48.8	Very low	55.3	Low	51 Å²	51	64.7 Å²	64.7	53%	0.526	34%	0.338	S	S	.	.			trans	72	-12.1	-177.4	0	0	0	0	0	114.9	Y312 H318	Y312-G316 PolarHBondContact O-N 2.8Å; G316-H318 PolarHBondContact O-CD2 3.26Å; G316-H318 VanDerWaalsContact O-CD2 3.24Å
317	E	49.7	Very low	54.3	Low	111 Å²	111	65.8 Å²	65.8	52%	0.519	35%	0.346	S	S	.	.			trans	-73.2	125	176.3	-64.7	-179.5	157.5	0	0	111.2	S315	S315-E317 PolarHBondContact O-N 2.8Å
318	H	51.8	Low	54	Low	64 Å²	64	69.3 Å²	69.3	30%	0.296	36%	0.361	S	S	.	.			trans	-101.4	112.3	-179	-77.5	-105.2	0	0	0	110.6	G316 F320 H328 K330	G316-H318 PolarHBondContact O-CD2 3.26Å; G316-H318 VanDerWaalsContact O-CD2 3.24Å; H318-F320 VanDerWaalsContact C-N 3.27Å; H318-F320 PolarHBondContact O-N 2.74Å; H318-H328 HydrophobicContact CB-CB 3.6Å; H318-H328 PolarHBondContact ND1-O 2.89Å; H318-K330 WeakPolarHBondContact CE1-CE 3.46Å
319	L	51.8	Low	53.6	Low	21 Å²	21	68.6 Å²	68.6	11%	0.11	35%	0.354	C	S	.	.	S	Bend	trans	-69.5	-17.2	-173.4	-62.5	-174	0	0	0	115.7	Y312	Y312-L319 HydrophobicContact CD1-CD1 4.39Å; Y312-L319 HydrophobicContact CD1-CG 4.27Å; Y312-L319 HydrophobicContact CD2-CD1 4.48Å; Y312-L319 HydrophobicContact CE1-CD1 3.65Å; Y312-L319 HydrophobicContact CE1-CD2 4.18Å; Y312-L319 HydrophobicContact CE1-CG 3.92Å; Y312-L319 HydrophobicContact CE2-CD1 3.76Å; Y312-L319 HydrophobicContact CE2-CG 4.48Å; Y312-L319 WeakPolarHBondContact OH-CD1 3.11Å
320	F	53.6	Low	53.1	Low	23 Å²	23	69 Å²	69	10%	0.101	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	85.9	-171.8	-61.8	-68	0	0	0	110.1	F128 A140 H318 F329 L335	F128-F320 HydrophobicContact CD1-CD1 4.39Å; A140-F320 HydrophobicContact CB-CE1 4.27Å; H318-F320 VanDerWaalsContact C-N 3.27Å; H318-F320 PolarHBondContact O-N 2.74Å; F320-F329 HydrophobicContact CB-CB 3.97Å; F320-F329 WeakPolarHBondContact O-CD2 3.22Å; F320-F329 PolarHBondContact O-N 2.86Å; F320-L335 HydrophobicContact CB-CB 4.31Å; F320-L335 HydrophobicContact CB-CD2 3.97Å; F320-L335 HydrophobicContact CD1-CD2 4.27Å
321	K	46.7	Very low	52.5	Low	87 Å²	87	71.1 Å²	71.1	38%	0.378	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	134.2	168.9	-173.4	178.7	179.5	-177.3	0	109.5	E326	K321-E326 VanDerWaalsContact CE-OE1 3.27Å; K321-E326 WeakPolarHBondContact CE-OE1 3.04Å; K321-E326 IonicContact NZ-OE1 3.46Å; K321-E326 PolarHBondContact NZ-OE1 3.34Å
322	C	50.8	Low	52	Low	10 Å²	10	70.3 Å²	70.3	7%	0.068	37%	0.369	C	S	.	.			trans	-84.2	114.8	163.9	-177.5	0	0	0	0	109.6	L324 C325 E326 L327 F329 L335	C322-L324 PolarHBondContact O-N 3.12Å; C322-C325 VanDerWaalsContact CB-SG 3.52Å; C322-C325 PolarHBondContact O-N 3.22Å; C322-E326 WeakPolarHBondContact O-CA 3.44Å; C322-E326 PolarHBondContact O-N 3.05Å; C322-L327 PolarHBondContact N-O 2.76Å; C322-F329 HydrophobicContact CB-CE2 4.08Å; C322-L335 HydrophobicContact CB-CD1 3.79Å
323	N	48.2	Very low	51.4	Low	92 Å²	92	69.8 Å²	69.8	49%	0.492	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.1	-176.7	-61.3	-15.3	0	0	0	114.2
324	L	50	Low	51.3	Low	145 Å²	145	70.2 Å²	70.2	76%	0.759	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-14.5	-176.3	-67	172.9	0	0	0	114.2	C322 C340	C322-L324 PolarHBondContact O-N 3.12Å; L324-C340 WeakPolarHBondContact CB-SG 3.45Å; L324-C340 HydrophobicContact CD1-CB 4.3Å; L324-C340 VanDerWaalsContact CD1-SG 3.59Å
325	C	47.9	Very low	51.4	Low	46 Å²	46	67.4 Å²	67.4	31%	0.311	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	2.6	-178.9	74.8	0	0	0	0	114.5	C322 L327 H338	C322-C325 VanDerWaalsContact CB-SG 3.52Å; C322-C325 PolarHBondContact O-N 3.22Å; C325-L327 PolarHBondContact O-N 3.31Å; C325-H338 PolarHBondContact SG-NE2 3.07Å
326	E	51.4	Low	51	Low	123 Å²	123	68.6 Å²	68.6	58%	0.575	36%	0.357	S	S	*	.			trans	54	14.5	-179.8	-51.6	-151.6	109.5	0	0	115.8	K321 C322 H328	K321-E326 VanDerWaalsContact CE-OE1 3.27Å; K321-E326 WeakPolarHBondContact CE-OE1 3.04Å; K321-E326 IonicContact NZ-OE1 3.46Å; K321-E326 PolarHBondContact NZ-OE1 3.34Å; C322-E326 WeakPolarHBondContact O-CA 3.44Å; C322-E326 PolarHBondContact O-N 3.05Å; E326-H328 PolarHBondContact O-CE1 3.17Å; E326-H328 VanDerWaalsContact O-CE1 3.28Å; E326-H328 PolarHBondContact O-ND1 3.27Å
327	L	46.1	Very low	50.9	Low	87 Å²	87	73.8 Å²	73.8	46%	0.455	37%	0.367	S	S	.	.			trans	-73.7	139.4	172.8	-66.6	177.4	0	0	0	110.6	C322 C325 F329	C322-L327 PolarHBondContact N-O 2.76Å; C325-L327 PolarHBondContact O-N 3.31Å; L327-F329 HydrophobicContact CB-CE2 3.73Å; L327-F329 HydrophobicContact CB-CZ 3.87Å; L327-F329 HydrophobicContact CD1-CZ 4.48Å; L327-F329 WeakPolarHBondContact O-CE2 3.42Å
328	H	56.7	Low	51.3	Low	102 Å²	102	70.3 Å²	70.3	47%	0.472	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.9	-172.6	-73.7	83.7	0	0	0	109.7	H318 E326	H318-H328 HydrophobicContact CB-CB 3.6Å; H318-H328 PolarHBondContact ND1-O 2.89Å; E326-H328 PolarHBondContact O-CE1 3.17Å; E326-H328 VanDerWaalsContact O-CE1 3.28Å; E326-H328 PolarHBondContact O-ND1 3.27Å
329	F	56.3	Low	51.2	Low	32 Å²	32	69.5 Å²	69.5	14%	0.14	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	156.2	-174.9	-61.1	-87.5	0	0	0	111.7	F320 C322 L327 E334 L335 H338	F320-F329 HydrophobicContact CB-CB 3.97Å; F320-F329 WeakPolarHBondContact O-CD2 3.22Å; F320-F329 PolarHBondContact O-N 2.86Å; C322-F329 HydrophobicContact CB-CE2 4.08Å; L327-F329 HydrophobicContact CB-CE2 3.73Å; L327-F329 HydrophobicContact CB-CZ 3.87Å; L327-F329 HydrophobicContact CD1-CZ 4.48Å; L327-F329 WeakPolarHBondContact O-CE2 3.42Å; F329-E334 HydrophobicContact CB-CB 4.24Å; F329-E334 HydrophobicContact CD1-CB 3.81Å; F329-E334 HydrophobicContact CG-CB 4.37Å; F329-L335 HydrophobicContact CB-CB 4.47Å; F329-L335 HydrophobicContact CD2-CB 4.25Å; F329-L335 HydrophobicContact CD2-CD1 3.92Å; F329-L335 HydrophobicContact CE2-CD1 4.01Å; F329-L335 HydrophobicContact CG-CB 4.4Å; F329-H338 HydrophobicContact CE1-CB 4.35Å; F329-H338 HydrophobicContact CE2-CB 4.45Å; F329-H338 HydrophobicContact CZ-CB 3.92Å; F329-H338 AromaticContact CZ-CG 3.61Å; F329-H338 AromaticContact CZ-ND1 3.74Å
330	K	51.1	Low	50.9	Low	106 Å²	106	70.3 Å²	70.3	46%	0.461	36%	0.358	S	S	.	.	S	Bend	trans	-100	-10.2	-178.8	-63.4	-170.7	179.1	-166.5	0	112.7	H318 E334	H318-K330 WeakPolarHBondContact CE1-CE 3.46Å; K330-E334 PolarHBondContact N-OE2 2.78Å; K330-E334 VanDerWaalsContact N-OE2 3.14Å
331	E	52.7	Low	50.7	Low	65 Å²	65	73.6 Å²	73.6	30%	0.304	37%	0.374	S	S	.	.	S	Bend	trans	-142.2	146.8	178.9	-164.1	168.7	-127.9	0	0	111.4	R309 S333 E334 L335	R309-E331 IonicContact CZ-OE1 3.67Å; R309-E331 IonicContact NH1-OE1 2.88Å; R309-E331 PolarHBondContact NH1-OE1 3.38Å; E331-S333 VanDerWaalsContact C-N 3.29Å; E331-S333 VanDerWaalsContact CG-OG 3.24Å; E331-S333 WeakPolarHBondContact CG-OG 3.38Å; E331-S333 PolarHBondContact O-N 2.62Å; E331-S333 PolarHBondContact OE2-OG 3.11Å; E331-E334 HydrophobicContact CB-CG 4.06Å; E331-E334 PolarHBondContact N-OE2 3.02Å; E331-E334 WeakPolarHBondContact O-CB 3.49Å; E331-E334 PolarHBondContact O-N 2.93Å; E331-L335 PolarHBondContact O-N 3.4Å
332	S	47.6	Very low	50.5	Low	38 Å²	38	74.9 Å²	74.9	27%	0.266	39%	0.391	S	S	.	.	H	α-helix	trans	-65.6	-31.6	177.6	53.3	0	0	0	0	112.5	E334 L335 L336	S332-E334 VanDerWaalsContact C-N 3.32Å; S332-E334 PolarHBondContact O-N 3.25Å; S332-L335 PolarHBondContact O-N 2.95Å; S332-L336 WeakPolarHBondContact O-CB 3.33Å; S332-L336 VanDerWaalsContact O-CG 3.25Å; S332-L336 WeakPolarHBondContact O-CG 3.21Å; S332-L336 PolarHBondContact O-N 3.32Å
333	S	52.4	Low	50.1	Low	39 Å²	39	84.2 Å²	84.2	27%	0.273	43%	0.434	S	S	.	.	H	α-helix	trans	-62	-37.3	173.9	65.1	0	0	0	0	112.3	E331 L336 H337	E331-S333 VanDerWaalsContact C-N 3.29Å; E331-S333 VanDerWaalsContact CG-OG 3.24Å; E331-S333 WeakPolarHBondContact CG-OG 3.38Å; E331-S333 PolarHBondContact O-N 2.62Å; E331-S333 PolarHBondContact OE2-OG 3.11Å; S333-L336 PolarHBondContact O-N 3.3Å; S333-H337 WeakPolarHBondContact O-CB 3.33Å; S333-H337 PolarHBondContact O-N 2.79Å; S333-H337 PolarHBondContact O-ND1 2.92Å
334	E	54.8	Low	50.3	Low	94 Å²	94	82.9 Å²	82.9	44%	0.439	44%	0.441	S	S	.	.	H	α-helix	trans	-67.9	-38.9	177	-66.2	178.5	152.8	0	0	110.9	F329 K330 E331 S332 H338	F329-E334 HydrophobicContact CB-CB 4.24Å; F329-E334 HydrophobicContact CD1-CB 3.81Å; F329-E334 HydrophobicContact CG-CB 4.37Å; K330-E334 PolarHBondContact N-OE2 2.78Å; K330-E334 VanDerWaalsContact N-OE2 3.14Å; E331-E334 HydrophobicContact CB-CG 4.06Å; E331-E334 PolarHBondContact N-OE2 3.02Å; E331-E334 WeakPolarHBondContact O-CB 3.49Å; E331-E334 PolarHBondContact O-N 2.93Å; S332-E334 VanDerWaalsContact C-N 3.32Å; S332-E334 PolarHBondContact O-N 3.25Å; E334-H338 WeakPolarHBondContact O-CB 3.35Å; E334-H338 PolarHBondContact O-N 3.02Å
335	L	53.8	Low	50.4	Low	15 Å²	15	78.3 Å²	78.3	8%	0.079	42%	0.422	C	S	.	.	H	α-helix	trans	-72.1	-39.1	173.9	178.8	62.7	0	0	0	112.1	R126 F128 F320 C322 F329 E331 S332 H338	R126-L335 PolarHBondContact NH2-O 3.11Å; F128-L335 HydrophobicContact CD1-CD2 4.46Å; F128-L335 HydrophobicContact CE1-CD2 4.13Å; F320-L335 HydrophobicContact CB-CB 4.31Å; F320-L335 HydrophobicContact CB-CD2 3.97Å; F320-L335 HydrophobicContact CD1-CD2 4.27Å; C322-L335 HydrophobicContact CB-CD1 3.79Å; F329-L335 HydrophobicContact CB-CB 4.47Å; F329-L335 HydrophobicContact CD2-CB 4.25Å; F329-L335 HydrophobicContact CD2-CD1 3.92Å; F329-L335 HydrophobicContact CE2-CD1 4.01Å; F329-L335 HydrophobicContact CG-CB 4.4Å; E331-L335 PolarHBondContact O-N 3.4Å; S332-L335 PolarHBondContact O-N 2.95Å; L335-H338 WeakPolarHBondContact O-CB 3.36Å; L335-H338 PolarHBondContact O-N 2.6Å
336	L	48.8	Very low	51	Low	90 Å²	90	83 Å²	83	47%	0.471	43%	0.433	S	S	.	.	H	α-helix	trans	-62.4	-43.8	177.7	-77	169.8	0	0	0	111.5	R126 S332 S333	R126-L336 PolarHBondContact NH1-O 3.32Å; S332-L336 WeakPolarHBondContact O-CB 3.33Å; S332-L336 VanDerWaalsContact O-CG 3.25Å; S332-L336 WeakPolarHBondContact O-CG 3.21Å; S332-L336 PolarHBondContact O-N 3.32Å; S333-L336 PolarHBondContact O-N 3.3Å
337	H	47.8	Very low	51.4	Low	160 Å²	160	79.9 Å²	79.9	74%	0.741	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	2	175.7	-63.5	148	0	0	0	114.6	S333 P339	S333-H337 WeakPolarHBondContact O-CB 3.33Å; S333-H337 PolarHBondContact O-N 2.79Å; S333-H337 PolarHBondContact O-ND1 2.92Å; H337-P339 WeakPolarHBondContact O-CD 3.34Å
338	H	56.6	Low	52.5	Low	37 Å²	37	78.3 Å²	78.3	17%	0.171	41%	0.413	C	S	.	.			trans	-71.8	111.5	171.2	176.9	56.6	0	0	0	109	C325 F329 E334 L335 C340	C325-H338 PolarHBondContact SG-NE2 3.07Å; F329-H338 HydrophobicContact CE1-CB 4.35Å; F329-H338 HydrophobicContact CE2-CB 4.45Å; F329-H338 HydrophobicContact CZ-CB 3.92Å; F329-H338 AromaticContact CZ-CG 3.61Å; F329-H338 AromaticContact CZ-ND1 3.74Å; E334-H338 WeakPolarHBondContact O-CB 3.35Å; E334-H338 PolarHBondContact O-N 3.02Å; L335-H338 WeakPolarHBondContact O-CB 3.36Å; L335-H338 PolarHBondContact O-N 2.6Å; H338-C340 PolarHBondContact O-N 2.78Å
339	P	50.2	Low	53.1	Low	48 Å²	48	81.7 Å²	81.7	31%	0.312	42%	0.421	S	S	.	.			trans	-74.1	100.9	172.8	-3.7	23.6	0	0	0	105.9	H337 H341 F348	H337-P339 WeakPolarHBondContact O-CD 3.34Å; P339-H341 PolarHBondContact O-N 3.26Å; P339-F348 HydrophobicContact CG-CE2 4.3Å; P339-F348 HydrophobicContact CG-CZ 4.14Å
340	C	45	Very low	54.1	Low	38 Å²	38	80.3 Å²	80.3	26%	0.257	42%	0.415	S	S	.	.			trans	-71.8	116.8	176.8	-171.2	0	0	0	0	108.4	L324 H338	L324-C340 WeakPolarHBondContact CB-SG 3.45Å; L324-C340 HydrophobicContact CD1-CB 4.3Å; L324-C340 VanDerWaalsContact CD1-SG 3.59Å; H338-C340 PolarHBondContact O-N 2.78Å
341	H	50.8	Low	55.2	Low	91 Å²	91	80.1 Å²	80.1	42%	0.421	43%	0.434	S	S	.	.			trans	-139.2	154.6	-176.6	-72.9	10.8	0	0	0	108.6	P339 S345	P339-H341 PolarHBondContact O-N 3.26Å; H341-S345 WeakPolarHBondContact CB-OG 3.45Å
342	P	42.3	Very low	56	Low	114 Å²	114	81.9 Å²	81.9	74%	0.74	45%	0.449	S	S	*	.	S	Bend	trans	-52.3	151.6	176.6	-25.6	33.8	0	0	0	113.5	G344 S345	P342-G344 PolarHBondContact O-N 3.43Å; P342-S345 PolarHBondContact O-N 3.14Å; P342-S345 PolarHBondContact O-OG 3.01Å
343	Q	41.4	Very low	57.2	Low	207 Å²	207	82.5 Å²	82.5	97%	0.967	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	121.4	-169.7	-162.1	-179.2	36.8	0	0	112.5
344	G	52.3	Low	58	Low	63 Å²	63	82.6 Å²	82.6	65%	0.649	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	-8.2	173.5	0	0	0	0	0	116.1	P342	P342-G344 PolarHBondContact O-N 3.43Å
345	S	53.3	Low	58.7	Low	50 Å²	50	83.9 Å²	83.9	35%	0.35	46%	0.464	S	S	.	.			trans	-58.3	141.9	172.8	72.4	0	0	0	0	111.8	H341 P342	H341-S345 WeakPolarHBondContact CB-OG 3.45Å; P342-S345 PolarHBondContact O-N 3.14Å; P342-S345 PolarHBondContact O-OG 3.01Å
346	R	60.8	Low	59.3	Low	143 Å²	143	83.5 Å²	83.5	54%	0.54	46%	0.463	S	S	.	.			trans	-130.9	73.8	180	-73.9	167.1	171	-130.4	14.1	107.7	F348 G356 F357	R346-F348 PolarHBondContact O-N 3.5Å; R346-G356 WeakPolarHBondContact CD-O 3.18Å; R346-G356 PolarHBondContact NH1-O 3.14Å; R346-F357 CarbonylContact C-O 3.29Å; R346-F357 WeakPolarHBondContact CA-O 3.43Å
347	P	58.9	Low	60.3	Low	58 Å²	58	81.1 Å²	81.1	38%	0.377	45%	0.449	S	S	.	.			trans	-63.4	-30.1	-165.4	22.2	-32.3	0	0	0	113	R349	P347-R349 PolarHBondContact O-N 3.3Å; P347-R349 VanDerWaalsContact O-N 3.15Å
348	F	68.5	Low	60.8	Low	55 Å²	55	80.5 Å²	80.5	24%	0.241	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	90.7	180	-54	-67.6	0	0	0	110.2	P339 R346 G356 F357 P360 L363	P339-F348 HydrophobicContact CG-CE2 4.3Å; P339-F348 HydrophobicContact CG-CZ 4.14Å; R346-F348 PolarHBondContact O-N 3.5Å; F348-G356 CarbonylContact O-C 3.58Å; F348-F357 HydrophobicContact CB-CB 4.37Å; F348-F357 PolarHBondContact N-O 3.1Å; F348-F357 PolarHBondContact O-N 3.38Å; F348-P360 HydrophobicContact CD1-CB 4.4Å; F348-P360 HydrophobicContact CD1-CG 4.03Å; F348-P360 HydrophobicContact CD2-CG 4.25Å; F348-P360 HydrophobicContact CE1-CB 4.47Å; F348-P360 HydrophobicContact CE1-CG 3.69Å; F348-P360 HydrophobicContact CE2-CG 3.91Å; F348-P360 HydrophobicContact CG-CG 4.31Å; F348-P360 HydrophobicContact CZ-CG 3.62Å; F348-L363 HydrophobicContact CB-CB 3.99Å; F348-L363 HydrophobicContact CB-CD2 3.79Å; F348-L363 HydrophobicContact CB-CG 4.49Å
349	R	69.6	Low	61	Low	173 Å²	173	85.8 Å²	85.8	65%	0.653	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.7	177.6	-68.5	-178.2	178	-100.8	10.6	111.9	P347 G354 K355	P347-R349 PolarHBondContact O-N 3.3Å; P347-R349 VanDerWaalsContact O-N 3.15Å; R349-G354 PolarHBondContact NH1-O 3.13Å; R349-K355 WeakPolarHBondContact CA-O 3.29Å
350	C	77.8	Confident	61.4	Low	2 Å²	2	85.9 Å²	85.9	1%	0.014	46%	0.463	C	S	.	.			trans	-77.1	121	173.3	-173.2	0	0	0	0	111.1	T352 C353 G354 K355 F357 L363 H370	C350-T352 VanDerWaalsContact C-N 3.29Å; C350-T352 PolarHBondContact O-N 3.31Å; C350-C353 PolarHBondContact O-N 3.47Å; C350-G354 WeakPolarHBondContact O-CA 3.25Å; C350-G354 PolarHBondContact O-N 2.81Å; C350-K355 PolarHBondContact N-O 3.3Å; C350-F357 HydrophobicContact CB-CE2 4.38Å; C350-L363 HydrophobicContact CB-CD1 3.6Å; C350-H370 PolarHBondContact SG-CD2 3.21Å; C350-H370 PolarHBondContact SG-NE2 2.95Å
351	A	73.6	Confident	62.4	Low	102 Å²	102	86.6 Å²	86.6	84%	0.843	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-41.5	178.7	0	0	0	0	0	112.6	C353	A351-C353 PolarHBondContact O-N 2.63Å
352	T	70.3	Confident	63.3	Low	103 Å²	103	84.2 Å²	84.2	63%	0.632	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.6	-176	-32.7	0	0	0	0	115.1	C350 H370	C350-T352 VanDerWaalsContact C-N 3.29Å; C350-T352 PolarHBondContact O-N 3.31Å; T352-H370 HydrophobicContact CG2-CB 4.16Å
353	C	72.3	Confident	64.6	Low	51 Å²	51	79.7 Å²	79.7	35%	0.345	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.9	7.9	-174	81.7	0	0	0	0	116.1	C350 A351 K355 H366	C350-C353 PolarHBondContact O-N 3.47Å; A351-C353 PolarHBondContact O-N 2.63Å; C353-K355 PolarHBondContact O-N 2.65Å; C353-K355 VanDerWaalsContact SG-CG 3.55Å; C353-H366 PolarHBondContact SG-NE2 2.96Å
354	G	69.1	Low	66	Low	40 Å²	40	76.8 Å²	76.8	41%	0.412	41%	0.409	S	S	.	.			trans	68.4	-7.6	177.1	0	0	0	0	0	116.5	R349 C350 G356	R349-G354 PolarHBondContact NH1-O 3.13Å; C350-G354 WeakPolarHBondContact O-CA 3.25Å; C350-G354 PolarHBondContact O-N 2.81Å; G354-G356 PolarHBondContact O-N 3.31Å
355	K	70.6	Confident	66.8	Low	122 Å²	122	77.3 Å²	77.3	53%	0.53	39%	0.394	S	S	.	.			trans	-62.5	123.9	-177.8	-72.3	177.6	-174.3	171.6	0	110.8	R349 C350 C353 F357	R349-K355 WeakPolarHBondContact CA-O 3.29Å; C350-K355 PolarHBondContact N-O 3.3Å; C353-K355 PolarHBondContact O-N 2.65Å; C353-K355 VanDerWaalsContact SG-CG 3.55Å; K355-F357 HydrophobicContact CB-CE2 3.74Å; K355-F357 HydrophobicContact CB-CZ 4Å; K355-F357 WeakPolarHBondContact O-CD2 3.27Å; K355-F357 WeakPolarHBondContact O-CE2 3.31Å
356	G	66.1	Low	67.8	Low	6 Å²	6	76 Å²	76	6%	0.062	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.2	174.9	0	0	0	0	0	113	R346 F348 G354	R346-G356 WeakPolarHBondContact CD-O 3.18Å; R346-G356 PolarHBondContact NH1-O 3.14Å; F348-G356 CarbonylContact O-C 3.58Å; G354-G356 PolarHBondContact O-N 3.31Å
357	F	69.8	Low	68.4	Low	41 Å²	41	72.6 Å²	72.6	18%	0.18	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	154.7	177.3	-62.7	-88.4	0	0	0	111	R346 F348 C350 K355 D362 L363 H366	R346-F357 CarbonylContact C-O 3.29Å; R346-F357 WeakPolarHBondContact CA-O 3.43Å; F348-F357 HydrophobicContact CB-CB 4.37Å; F348-F357 PolarHBondContact N-O 3.1Å; F348-F357 PolarHBondContact O-N 3.38Å; C350-F357 HydrophobicContact CB-CE2 4.38Å; K355-F357 HydrophobicContact CB-CE2 3.74Å; K355-F357 HydrophobicContact CB-CZ 4Å; K355-F357 WeakPolarHBondContact O-CD2 3.27Å; K355-F357 WeakPolarHBondContact O-CE2 3.31Å; F357-D362 HydrophobicContact CB-CB 4.28Å; F357-D362 HydrophobicContact CD1-CB 4.07Å; F357-L363 HydrophobicContact CB-CB 4.18Å; F357-L363 HydrophobicContact CD2-CB 4.06Å; F357-L363 HydrophobicContact CD2-CD1 3.79Å; F357-L363 HydrophobicContact CE2-CD1 4.14Å; F357-L363 HydrophobicContact CG-CB 4.25Å; F357-H366 HydrophobicContact CE1-CB 3.79Å; F357-H366 HydrophobicContact CE2-CB 3.85Å; F357-H366 AromaticContact CE2-CD2 3.25Å; F357-H366 WeakPolarHBondContact CE2-CD2 3.45Å; F357-H366 AromaticContact CE2-CG 3.6Å; F357-H366 HydrophobicContact CZ-CB 3.4Å; F357-H366 AromaticContact CZ-CD2 3.29Å; F357-H366 WeakPolarHBondContact CZ-CD2 3.46Å; F357-H366 AromaticContact CZ-CG 3.16Å; F357-H366 AromaticContact CZ-ND1 3.84Å; F357-H366 AromaticContact CZ-NE2 3.99Å
358	K	57.5	Low	69	Low	146 Å²	146	76 Å²	76	64%	0.635	38%	0.378	S	S	*	.	S	Bend	trans	-82.7	-18.6	178.8	-67	-171.8	175.4	-171	0	113.4
359	R	60.7	Low	68.8	Low	149 Å²	149	76.2 Å²	76.2	56%	0.562	38%	0.384	S	S	*	.	S	Bend	trans	-137.6	150.4	-178.6	-67.1	179.5	-73.6	-157.1	-6.8	111.9	S361 D362 L363	R359-S361 VanDerWaalsContact C-N 3.28Å; R359-S361 WeakPolarHBondContact CB-OG 3.27Å; R359-S361 PolarHBondContact O-N 2.91Å; R359-D362 HydrophobicContact CB-CB 4.41Å; R359-D362 IonicContact CZ-OD1 2.67Å; R359-D362 IonicContact CZ-OD2 2.63Å; R359-D362 IonicContact NE-OD1 2.69Å; R359-D362 PolarHBondContact NE-OD1 2.78Å; R359-D362 IonicContact NE-OD2 2.63Å; R359-D362 PolarHBondContact NE-OD2 3.3Å; R359-D362 IonicContact NH2-OD1 3.68Å; R359-D362 IonicContact NH2-OD2 3.65Å; R359-D362 PolarHBondContact NH2-OD2 3.39Å; R359-D362 PolarHBondContact O-N 2.9Å; R359-L363 PolarHBondContact O-N 2.83Å
360	P	59.3	Low	68.8	Low	49 Å²	49	71.3 Å²	71.3	32%	0.318	37%	0.368	S	S	.	.	H	α-helix	trans	-64.4	-30	174.5	-17.3	28.8	0	0	0	113.4	F348 D362 R364	F348-P360 HydrophobicContact CD1-CB 4.4Å; F348-P360 HydrophobicContact CD1-CG 4.03Å; F348-P360 HydrophobicContact CD2-CG 4.25Å; F348-P360 HydrophobicContact CE1-CB 4.47Å; F348-P360 HydrophobicContact CE1-CG 3.69Å; F348-P360 HydrophobicContact CE2-CG 3.91Å; F348-P360 HydrophobicContact CG-CG 4.31Å; F348-P360 HydrophobicContact CZ-CG 3.62Å; P360-D362 VanDerWaalsContact C-N 3.3Å; P360-D362 PolarHBondContact O-N 2.62Å; P360-R364 WeakPolarHBondContact O-CB 3.34Å; P360-R364 WeakPolarHBondContact O-CG 3.2Å; P360-R364 PolarHBondContact O-N 3.22Å; P360-R364 PolarHBondContact O-NE 3.18Å
361	S	65.6	Low	68.2	Low	54 Å²	54	73.2 Å²	73.2	38%	0.378	38%	0.382	S	S	.	.	H	α-helix	trans	-58.1	-45.3	172.9	49.1	0	0	0	0	111.7	R359 R364 Q365	R359-S361 VanDerWaalsContact C-N 3.28Å; R359-S361 WeakPolarHBondContact CB-OG 3.27Å; R359-S361 PolarHBondContact O-N 2.91Å; S361-R364 PolarHBondContact O-N 2.93Å; S361-Q365 VanDerWaalsContact O-CB 3.26Å; S361-Q365 WeakPolarHBondContact O-CB 3.25Å; S361-Q365 PolarHBondContact O-N 3.25Å
362	D	68.7	Low	67.5	Low	41 Å²	41	76.9 Å²	76.9	22%	0.219	38%	0.382	C	S	.	.	H	α-helix	trans	-75.7	-35.8	-171.7	-53	-2.3	0	0	0	109.3	F357 R359 P360 H366	F357-D362 HydrophobicContact CB-CB 4.28Å; F357-D362 HydrophobicContact CD1-CB 4.07Å; R359-D362 HydrophobicContact CB-CB 4.41Å; R359-D362 IonicContact CZ-OD1 2.67Å; R359-D362 IonicContact CZ-OD2 2.63Å; R359-D362 IonicContact NE-OD1 2.69Å; R359-D362 PolarHBondContact NE-OD1 2.78Å; R359-D362 IonicContact NE-OD2 2.63Å; R359-D362 PolarHBondContact NE-OD2 3.3Å; R359-D362 IonicContact NH2-OD1 3.68Å; R359-D362 IonicContact NH2-OD2 3.65Å; R359-D362 PolarHBondContact NH2-OD2 3.39Å; R359-D362 PolarHBondContact O-N 2.9Å; P360-D362 VanDerWaalsContact C-N 3.3Å; P360-D362 PolarHBondContact O-N 2.62Å; D362-H366 WeakPolarHBondContact O-CB 3.49Å; D362-H366 PolarHBondContact O-N 2.92Å
363	L	70.9	Confident	67	Low	18 Å²	18	78.9 Å²	78.9	9%	0.094	38%	0.384	C	S	.	.	H	α-helix	trans	-61.8	-54.9	168.3	174	59	0	0	0	111.7	F348 C350 F357 R359 Q365 H366 E367	F348-L363 HydrophobicContact CB-CB 3.99Å; F348-L363 HydrophobicContact CB-CD2 3.79Å; F348-L363 HydrophobicContact CB-CG 4.49Å; C350-L363 HydrophobicContact CB-CD1 3.6Å; F357-L363 HydrophobicContact CB-CB 4.18Å; F357-L363 HydrophobicContact CD2-CB 4.06Å; F357-L363 HydrophobicContact CD2-CD1 3.79Å; F357-L363 HydrophobicContact CE2-CD1 4.14Å; F357-L363 HydrophobicContact CG-CB 4.25Å; R359-L363 PolarHBondContact O-N 2.83Å; L363-Q365 PolarHBondContact O-N 3.49Å; L363-H366 CarbonylContact O-C 3.58Å; L363-H366 WeakPolarHBondContact O-CA 3.44Å; L363-H366 WeakPolarHBondContact O-CB 3.12Å; L363-H366 PolarHBondContact O-N 2.89Å; L363-E367 HydrophobicContact CD1-CG 3.89Å; L363-E367 WeakPolarHBondContact CD1-OE1 3.26Å; L363-E367 HydrophobicContact CG-CG 4.3Å; L363-E367 WeakPolarHBondContact CG-OE1 3.39Å; L363-E367 WeakPolarHBondContact O-CG 3.11Å; L363-E367 PolarHBondContact O-N 3.39Å
364	R	69.9	Low	66.8	Low	146 Å²	146	82.3 Å²	82.3	55%	0.551	39%	0.389	S	S	*	.	H	α-helix	trans	-60.8	-30.7	179.1	-73.1	-176.3	-70	-121.1	5.6	113.3	P360 S361 E367 R368	P360-R364 WeakPolarHBondContact O-CB 3.34Å; P360-R364 WeakPolarHBondContact O-CG 3.2Å; P360-R364 PolarHBondContact O-N 3.22Å; P360-R364 PolarHBondContact O-NE 3.18Å; S361-R364 PolarHBondContact O-N 2.93Å; R364-E367 WeakPolarHBondContact CA-OE2 3.34Å; R364-R368 PolarHBondContact O-NH1 3.19Å
365	Q	68.7	Low	66.9	Low	74 Å²	74	83.9 Å²	83.9	35%	0.346	39%	0.393	S	S	.	.	H	α-helix	trans	-72	-30.6	172.8	-179	174.3	5.4	0	0	112.3	S361 L363 Q387	S361-Q365 VanDerWaalsContact O-CB 3.26Å; S361-Q365 WeakPolarHBondContact O-CB 3.25Å; S361-Q365 PolarHBondContact O-N 3.25Å; L363-Q365 PolarHBondContact O-N 3.49Å; Q365-Q387 VanDerWaalsContact NE2-CD 3.31Å; Q365-Q387 PolarHBondContact O-NE2 3.25Å
366	H	75.6	Confident	67.1	Low	22 Å²	22	81.4 Å²	81.4	10%	0.102	38%	0.382	C	S	.	.	H	α-helix	trans	-80.3	-33.9	174.2	172.8	60.9	0	0	0	113.5	C353 F357 D362 L363 R368 T369 H370	C353-H366 PolarHBondContact SG-NE2 2.96Å; F357-H366 HydrophobicContact CE1-CB 3.79Å; F357-H366 HydrophobicContact CE2-CB 3.85Å; F357-H366 AromaticContact CE2-CD2 3.25Å; F357-H366 WeakPolarHBondContact CE2-CD2 3.45Å; F357-H366 AromaticContact CE2-CG 3.6Å; F357-H366 HydrophobicContact CZ-CB 3.4Å; F357-H366 AromaticContact CZ-CD2 3.29Å; F357-H366 WeakPolarHBondContact CZ-CD2 3.46Å; F357-H366 AromaticContact CZ-CG 3.16Å; F357-H366 AromaticContact CZ-ND1 3.84Å; F357-H366 AromaticContact CZ-NE2 3.99Å; D362-H366 WeakPolarHBondContact O-CB 3.49Å; D362-H366 PolarHBondContact O-N 2.92Å; L363-H366 CarbonylContact O-C 3.58Å; L363-H366 WeakPolarHBondContact O-CA 3.44Å; L363-H366 WeakPolarHBondContact O-CB 3.12Å; L363-H366 PolarHBondContact O-N 2.89Å; H366-R368 PolarHBondContact O-N 3Å; H366-T369 PolarHBondContact CE1-OG1 2.8Å; H366-T369 VanDerWaalsContact CE1-OG1 3.26Å; H366-T369 PolarHBondContact ND1-OG1 3.38Å; H366-T369 WeakPolarHBondContact O-CA 3.4Å; H366-T369 VanDerWaalsContact O-CB 3.24Å; H366-T369 WeakPolarHBondContact O-CB 3.46Å; H366-T369 PolarHBondContact O-N 3.29Å; H366-T369 PolarHBondContact O-OG1 2.85Å; H366-H370 AromaticContact CD2-NE2 3.74Å; H366-H370 AromaticContact CE1-CE1 3.63Å; H366-H370 AromaticContact CE1-NE2 3.5Å; H366-H370 PolarHBondContact CE1-NE2 2.91Å; H366-H370 AromaticContact NE2-CE1 3.52Å; H366-H370 AromaticContact NE2-NE2 3.01Å; H366-H370 PolarHBondContact NE2-NE2 2.87Å
367	E	72.6	Confident	67.3	Low	72 Å²	72	85.8 Å²	85.8	34%	0.336	40%	0.401	S	S	.	.	H	α-helix	trans	-61.3	-35.7	176.6	-74	163.8	158.7	0	0	111.3	L363 R364 T369 H370 S371	L363-E367 HydrophobicContact CD1-CG 3.89Å; L363-E367 WeakPolarHBondContact CD1-OE1 3.26Å; L363-E367 HydrophobicContact CG-CG 4.3Å; L363-E367 WeakPolarHBondContact CG-OE1 3.39Å; L363-E367 WeakPolarHBondContact O-CG 3.11Å; L363-E367 PolarHBondContact O-N 3.39Å; R364-E367 WeakPolarHBondContact CA-OE2 3.34Å; E367-T369 PolarHBondContact O-N 2.91Å; E367-H370 PolarHBondContact O-N 3.31Å; E367-S371 PolarHBondContact O-N 3.02Å
368	R	70.9	Confident	67.4	Low	130 Å²	130	83.9 Å²	83.9	49%	0.491	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-12.8	168	-65.8	-176.8	-174	104.1	-7.2	114.5	R364 H366 S371 K386	R364-R368 PolarHBondContact O-NH1 3.19Å; H366-R368 PolarHBondContact O-N 3Å; R368-S371 VanDerWaalsContact CA-OG 3.32Å; R368-S371 WeakPolarHBondContact CA-OG 3.32Å; R368-S371 PolarHBondContact O-OG 3.41Å; R368-S371 VanDerWaalsContact O-OG 3.11Å; R368-K386 WeakPolarHBondContact O-CD 3.47Å; R368-K386 PolarHBondContact O-NZ 2.93Å
369	T	65.7	Low	68.1	Low	60 Å²	60	82.5 Å²	82.5	37%	0.368	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-20.4	172.4	72.1	0	0	0	0	113	H366 E367 K386	H366-T369 PolarHBondContact CE1-OG1 2.8Å; H366-T369 VanDerWaalsContact CE1-OG1 3.26Å; H366-T369 PolarHBondContact ND1-OG1 3.38Å; H366-T369 WeakPolarHBondContact O-CA 3.4Å; H366-T369 VanDerWaalsContact O-CB 3.24Å; H366-T369 WeakPolarHBondContact O-CB 3.46Å; H366-T369 PolarHBondContact O-N 3.29Å; H366-T369 PolarHBondContact O-OG1 2.85Å; E367-T369 PolarHBondContact O-N 2.91Å; T369-K386 PolarHBondContact O-NZ 3.29Å
370	H	68.6	Low	68.5	Low	69 Å²	69	80.1 Å²	80.1	32%	0.319	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-35.5	172.6	-51.8	-52	0	0	0	112.5	C350 T352 H366 E367 E372	C350-H370 PolarHBondContact SG-CD2 3.21Å; C350-H370 PolarHBondContact SG-NE2 2.95Å; T352-H370 HydrophobicContact CG2-CB 4.16Å; H366-H370 AromaticContact CD2-NE2 3.74Å; H366-H370 AromaticContact CE1-CE1 3.63Å; H366-H370 AromaticContact CE1-NE2 3.5Å; H366-H370 PolarHBondContact CE1-NE2 2.91Å; H366-H370 AromaticContact NE2-CE1 3.52Å; H366-H370 AromaticContact NE2-NE2 3.01Å; H366-H370 PolarHBondContact NE2-NE2 2.87Å; E367-H370 PolarHBondContact O-N 3.31Å; H370-E372 PolarHBondContact O-N 2.93Å
371	S	65.3	Low	68.6	Low	42 Å²	42	80 Å²	80	29%	0.294	39%	0.387	S	S	.	.	S	Bend	trans	-62.4	133.5	170.8	63.3	0	0	0	0	110.5	E367 R368 E373 K386	E367-S371 PolarHBondContact O-N 3.02Å; R368-S371 VanDerWaalsContact CA-OG 3.32Å; R368-S371 WeakPolarHBondContact CA-OG 3.32Å; R368-S371 PolarHBondContact O-OG 3.41Å; R368-S371 VanDerWaalsContact O-OG 3.11Å; S371-E373 PolarHBondContact O-N 3.28Å; S371-K386 PolarHBondContact O-NZ 2.91Å
372	E	59.2	Low	68.6	Low	180 Å²	180	83.7 Å²	83.7	84%	0.841	40%	0.398	S	S	*	.			trans	-70.1	-21.8	175.7	-60.9	-152.7	131.4	0	0	112.7	H370 R374	H370-E372 PolarHBondContact O-N 2.93Å; E372-R374 PolarHBondContact O-N 3.27Å
373	E	60.7	Low	68.2	Low	144 Å²	144	86.3 Å²	86.3	67%	0.673	41%	0.41	S	S	*	.			trans	-50.9	132.9	174.7	-62.9	-177.6	179.5	0	0	112.9	S371	S371-E373 PolarHBondContact O-N 3.28Å
374	R	68.3	Low	68	Low	123 Å²	123	87.2 Å²	87.2	46%	0.464	42%	0.418	S	S	.	.			trans	-131.9	75.9	179.8	-71.7	162.7	176.9	-129.8	13.5	109.1	E372 F376 H377 S384 F385 K386	E372-R374 PolarHBondContact O-N 3.27Å; R374-F376 PolarHBondContact O-N 3.22Å; R374-H377 PolarHBondContact O-NE2 3.18Å; R374-S384 VanDerWaalsContact CB-CB 3.48Å; R374-S384 WeakPolarHBondContact CD-O 3.49Å; R374-S384 PolarHBondContact NH1-O 3.07Å; R374-F385 CarbonylContact C-O 3.57Å; R374-F385 VanDerWaalsContact C-O 3.27Å; R374-F385 WeakPolarHBondContact CA-O 3.4Å; R374-K386 HydrophobicContact CG-CG 3.75Å
375	P	70.1	Confident	68.1	Low	74 Å²	74	82 Å²	82	48%	0.481	40%	0.399	S	S	.	.			trans	-63.8	-12	-164.9	-24.9	35.6	0	0	0	115.9	H377	P375-H377 PolarHBondContact O-ND1 2.82Å
376	F	75.1	Confident	67.8	Low	70 Å²	70	81 Å²	81	31%	0.307	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	98.4	-173.2	-56.4	-74.6	0	0	0	110.4	R374 F385 H388 L391	R374-F376 PolarHBondContact O-N 3.22Å; F376-F385 HydrophobicContact CB-CB 4.32Å; F376-F385 PolarHBondContact N-O 2.82Å; F376-F385 PolarHBondContact O-N 2.84Å; F376-H388 HydrophobicContact CD1-CB 3.86Å; F376-H388 AromaticContact CD1-CD2 3.84Å; F376-H388 HydrophobicContact CD2-CB 4.49Å; F376-H388 HydrophobicContact CE1-CB 3.71Å; F376-H388 HydrophobicContact CE2-CB 4.35Å; F376-H388 HydrophobicContact CG-CB 4.25Å; F376-H388 HydrophobicContact CZ-CB 3.97Å; F376-L391 HydrophobicContact CB-CB 4.09Å; F376-L391 HydrophobicContact CB-CD2 3.86Å
377	H	70.1	Confident	67.4	Low	98 Å²	98	81.5 Å²	81.5	45%	0.454	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	149	-178.2	-49.5	89.6	0	0	0	111.1	R374 P375 L391	R374-H377 PolarHBondContact O-NE2 3.18Å; P375-H377 PolarHBondContact O-ND1 2.82Å; H377-L391 VanDerWaalsContact O-CD1 3.31Å; H377-L391 WeakPolarHBondContact O-CD1 3.35Å; H377-L391 WeakPolarHBondContact O-CD2 3.17Å
378	C	71.3	Confident	67.1	Low	0 Å²	0	83.4 Å²	83.4	0%	0	41%	0.405	C	S	.	.			trans	-99.9	111.7	171.2	-167	0	0	0	0	109.8	E380 C381 Q382 M383 F385 L391	C378-E380 PolarHBondContact O-N 3.23Å; C378-E380 VanDerWaalsContact O-N 3.11Å; C378-C381 PolarHBondContact O-N 3.26Å; C378-Q382 WeakPolarHBondContact O-CA 3.39Å; C378-Q382 PolarHBondContact O-N 3.29Å; C378-M383 WeakPolarHBondContact CB-O 3.48Å; C378-M383 PolarHBondContact N-O 3.2Å; C378-F385 HydrophobicContact CB-CE2 4.34Å; C378-L391 HydrophobicContact CB-CD1 3.53Å
379	D	72.8	Confident	67	Low	117 Å²	117	83.4 Å²	83.4	63%	0.626	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.6	-174.6	-43.3	-62.8	0	0	0	112.6
380	E	68.8	Low	67.1	Low	100 Å²	100	81.1 Å²	81.1	47%	0.467	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-18	-175.1	-64	159.1	-132.9	0	0	113.8	C378 R395 H398	C378-E380 PolarHBondContact O-N 3.23Å; C378-E380 VanDerWaalsContact O-N 3.11Å; E380-R395 IonicContact OE1-CZ 3.9Å; E380-R395 IonicContact OE1-NE 3.43Å; E380-R395 PolarHBondContact OE1-NE 2.74Å; E380-R395 IonicContact OE1-NH2 3.8Å; E380-R395 PolarHBondContact OE1-NH2 2.79Å; E380-H398 WeakPolarHBondContact OE2-CB 3.29Å; E380-H398 IonicContact OE2-CD2 3.19Å; E380-H398 PolarHBondContact OE2-CD2 2.93Å; E380-H398 IonicContact OE2-CG 2.92Å
381	C	62.9	Low	67.1	Low	46 Å²	46	78.7 Å²	78.7	31%	0.311	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.9	6	-177.5	72.5	0	0	0	0	115.6	C378 M383 H394 H398	C378-C381 PolarHBondContact O-N 3.26Å; C381-M383 PolarHBondContact O-N 3.1Å; C381-H394 PolarHBondContact SG-NE2 3.39Å; C381-H398 WeakPolarHBondContact CB-NE2 3.42Å; C381-H398 PolarHBondContact SG-NE2 3.35Å
382	Q	65.3	Low	67.4	Low	132 Å²	132	79.3 Å²	79.3	62%	0.617	38%	0.384	S	S	*	.			trans	56.6	13.4	-177.3	-55.4	-60.2	-15.6	0	0	116.3	C378 S384	C378-Q382 WeakPolarHBondContact O-CA 3.39Å; C378-Q382 PolarHBondContact O-N 3.29Å; Q382-S384 PolarHBondContact O-N 3.1Å
383	M	60.3	Low	67.6	Low	96 Å²	96	75.4 Å²	75.4	47%	0.473	36%	0.362	S	S	.	.			trans	-66.9	122.6	171.8	-73.4	-157.3	76.7	0	0	111.3	C378 C381 F385	C378-M383 WeakPolarHBondContact CB-O 3.48Å; C378-M383 PolarHBondContact N-O 3.2Å; C381-M383 PolarHBondContact O-N 3.1Å; M383-F385 HydrophobicContact CB-CE2 3.64Å; M383-F385 HydrophobicContact CB-CZ 3.84Å; M383-F385 VanDerWaalsContact O-CD2 3.31Å; M383-F385 WeakPolarHBondContact O-CD2 3.45Å; M383-F385 WeakPolarHBondContact O-CE2 3.44Å; M383-F385 HydrophobicContact SD-CZ 4.46Å
384	S	66.8	Low	68	Low	36 Å²	36	69.7 Å²	69.7	25%	0.252	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134	179	-4.2	0	0	0	0	111.7	R374 Q382	R374-S384 VanDerWaalsContact CB-CB 3.48Å; R374-S384 WeakPolarHBondContact CD-O 3.49Å; R374-S384 PolarHBondContact NH1-O 3.07Å; Q382-S384 PolarHBondContact O-N 3.1Å
385	F	70.3	Confident	67.8	Low	37 Å²	37	69.3 Å²	69.3	16%	0.162	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.3	-176.6	-62.9	-88.4	0	0	0	111.6	R374 F376 C378 M383 Q387 A390 L391 H394	R374-F385 CarbonylContact C-O 3.57Å; R374-F385 VanDerWaalsContact C-O 3.27Å; R374-F385 WeakPolarHBondContact CA-O 3.4Å; F376-F385 HydrophobicContact CB-CB 4.32Å; F376-F385 PolarHBondContact N-O 2.82Å; F376-F385 PolarHBondContact O-N 2.84Å; C378-F385 HydrophobicContact CB-CE2 4.34Å; M383-F385 HydrophobicContact CB-CE2 3.64Å; M383-F385 HydrophobicContact CB-CZ 3.84Å; M383-F385 VanDerWaalsContact O-CD2 3.31Å; M383-F385 WeakPolarHBondContact O-CD2 3.45Å; M383-F385 WeakPolarHBondContact O-CE2 3.44Å; M383-F385 HydrophobicContact SD-CZ 4.46Å; F385-Q387 VanDerWaalsContact C-N 3.26Å; F385-Q387 PolarHBondContact O-N 3.19Å; F385-A390 HydrophobicContact CB-CB 4.34Å; F385-A390 HydrophobicContact CD1-CB 3.91Å; F385-A390 HydrophobicContact CG-CB 4.39Å; F385-L391 HydrophobicContact CB-CB 4.26Å; F385-L391 HydrophobicContact CD2-CB 3.9Å; F385-L391 HydrophobicContact CD2-CD1 3.94Å; F385-L391 HydrophobicContact CE2-CD1 4.19Å; F385-L391 HydrophobicContact CG-CB 4.2Å; F385-H394 HydrophobicContact CE1-CB 3.92Å; F385-H394 HydrophobicContact CE2-CB 3.9Å; F385-H394 AromaticContact CE2-CD2 3.2Å; F385-H394 WeakPolarHBondContact CE2-CD2 3.48Å; F385-H394 AromaticContact CE2-CG 3.64Å; F385-H394 AromaticContact CE2-NE2 3.87Å; F385-H394 HydrophobicContact CZ-CB 3.44Å; F385-H394 VanDerWaalsContact CZ-CB 3.44Å; F385-H394 AromaticContact CZ-CD2 3.24Å; F385-H394 WeakPolarHBondContact CZ-CD2 3.17Å; F385-H394 AromaticContact CZ-CG 3.2Å; F385-H394 AromaticContact CZ-ND1 3.8Å; F385-H394 AromaticContact CZ-NE2 3.79Å
386	K	63.9	Low	67.7	Low	52 Å²	52	71.6 Å²	71.6	23%	0.226	33%	0.333	C	S	.	.	S	Bend	trans	-75.2	-13.2	176.8	-61.5	-173	166.4	-138.1	0	113.5	R368 T369 S371 R374	R368-K386 WeakPolarHBondContact O-CD 3.47Å; R368-K386 PolarHBondContact O-NZ 2.93Å; T369-K386 PolarHBondContact O-NZ 3.29Å; S371-K386 PolarHBondContact O-NZ 2.91Å; R374-K386 HydrophobicContact CG-CG 3.75Å
387	Q	67.5	Low	67	Low	33 Å²	33	72 Å²	72	15%	0.154	34%	0.341	C	S	.	.	S	Bend	trans	-148.4	133.5	-171	-60.9	177.7	4.5	0	0	111.4	Q365 F385 Y389 A390 L391	Q365-Q387 VanDerWaalsContact NE2-CD 3.31Å; Q365-Q387 PolarHBondContact O-NE2 3.25Å; F385-Q387 VanDerWaalsContact C-N 3.26Å; F385-Q387 PolarHBondContact O-N 3.19Å; Q387-Y389 HydrophobicContact CB-CD1 4.25Å; Q387-Y389 HydrophobicContact CB-CE1 3.92Å; Q387-Y389 PolarHBondContact O-N 3.4Å; Q387-Y389 VanDerWaalsContact OE1-CZ 3.31Å; Q387-Y389 PolarHBondContact OE1-OH 3.39Å; Q387-A390 WeakPolarHBondContact O-CB 3.39Å; Q387-A390 PolarHBondContact O-N 2.75Å; Q387-L391 PolarHBondContact O-N 3.32Å
388	H	66.1	Low	66.7	Low	112 Å²	112	71.7 Å²	71.7	52%	0.519	34%	0.339	S	S	.	.	H	α-helix	trans	-56.7	-42.5	-173.9	-176.4	-113.7	0	0	0	114.5	F376 A390 L391 V392	F376-H388 HydrophobicContact CD1-CB 3.86Å; F376-H388 AromaticContact CD1-CD2 3.84Å; F376-H388 HydrophobicContact CD2-CB 4.49Å; F376-H388 HydrophobicContact CE1-CB 3.71Å; F376-H388 HydrophobicContact CE2-CB 4.35Å; F376-H388 HydrophobicContact CG-CB 4.25Å; F376-H388 HydrophobicContact CZ-CB 3.97Å; H388-A390 PolarHBondContact O-N 2.94Å; H388-L391 WeakPolarHBondContact O-CB 3.32Å; H388-L391 PolarHBondContact O-N 3.38Å; H388-V392 WeakPolarHBondContact O-CG2 3.26Å; H388-V392 PolarHBondContact O-N 3.07Å
389	Y	68.8	Low	66.2	Low	130 Å²	130	77.7 Å²	77.7	51%	0.51	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-26.6	178.6	78	-97.7	0	0	0	112.5	Q387 R393	Q387-Y389 HydrophobicContact CB-CD1 4.25Å; Q387-Y389 HydrophobicContact CB-CE1 3.92Å; Q387-Y389 PolarHBondContact O-N 3.4Å; Q387-Y389 VanDerWaalsContact OE1-CZ 3.31Å; Q387-Y389 PolarHBondContact OE1-OH 3.39Å; Y389-R393 WeakPolarHBondContact O-CB 3.36Å; Y389-R393 PolarHBondContact O-N 3.1Å
390	A	66.9	Low	65.3	Low	13 Å²	13	76.8 Å²	76.8	11%	0.107	36%	0.361	C	S	.	.	H	α-helix	trans	-72.3	-39.5	178.2	0	0	0	0	0	110.5	F385 Q387 H388 R393 H394	F385-A390 HydrophobicContact CB-CB 4.34Å; F385-A390 HydrophobicContact CD1-CB 3.91Å; F385-A390 HydrophobicContact CG-CB 4.39Å; Q387-A390 WeakPolarHBondContact O-CB 3.39Å; Q387-A390 PolarHBondContact O-N 2.75Å; H388-A390 PolarHBondContact O-N 2.94Å; A390-R393 PolarHBondContact O-N 3.43Å; A390-H394 VanDerWaalsContact O-CB 3.26Å; A390-H394 WeakPolarHBondContact O-CB 3.43Å; A390-H394 PolarHBondContact O-N 3.46Å
391	L	69.6	Low	64.7	Low	17 Å²	17	75.8 Å²	75.8	9%	0.089	36%	0.363	C	S	.	.	H	α-helix	trans	-60.4	-51.7	167.8	170.6	62.9	0	0	0	111.2	F376 H377 C378 F385 Q387 H388 R393 H394 R395	F376-L391 HydrophobicContact CB-CB 4.09Å; F376-L391 HydrophobicContact CB-CD2 3.86Å; H377-L391 VanDerWaalsContact O-CD1 3.31Å; H377-L391 WeakPolarHBondContact O-CD1 3.35Å; H377-L391 WeakPolarHBondContact O-CD2 3.17Å; C378-L391 HydrophobicContact CB-CD1 3.53Å; F385-L391 HydrophobicContact CB-CB 4.26Å; F385-L391 HydrophobicContact CD2-CB 3.9Å; F385-L391 HydrophobicContact CD2-CD1 3.94Å; F385-L391 HydrophobicContact CE2-CD1 4.19Å; F385-L391 HydrophobicContact CG-CB 4.2Å; Q387-L391 PolarHBondContact O-N 3.32Å; H388-L391 WeakPolarHBondContact O-CB 3.32Å; H388-L391 PolarHBondContact O-N 3.38Å; L391-R393 VanDerWaalsContact C-N 3.26Å; L391-R393 PolarHBondContact O-N 3.43Å; L391-H394 CarbonylContact O-C 3.27Å; L391-H394 WeakPolarHBondContact O-CA 3.37Å; L391-H394 WeakPolarHBondContact O-CB 3.29Å; L391-H394 PolarHBondContact O-N 3.14Å; L391-R395 HydrophobicContact CD1-CG 3.97Å; L391-R395 HydrophobicContact CG-CG 4.47Å; L391-R395 PolarHBondContact O-N 3.5Å
392	V	70.3	Confident	64.2	Low	56 Å²	56	77.2 Å²	77.2	34%	0.339	37%	0.374	S	S	.	.	H	α-helix	trans	-58.5	-37.2	179.6	172.8	0	0	0	0	112.1	H388	H388-V392 WeakPolarHBondContact O-CG2 3.26Å; H388-V392 PolarHBondContact O-N 3.07Å
393	R	64.3	Low	63.9	Low	97 Å²	97	75 Å²	75	37%	0.366	37%	0.366	S	S	.	.	H	α-helix	trans	-70.2	-37.5	173.2	-179	-179.3	59.6	-174.2	-8.1	112	Y389 A390 L391 R396 Q417	Y389-R393 WeakPolarHBondContact O-CB 3.36Å; Y389-R393 PolarHBondContact O-N 3.1Å; A390-R393 PolarHBondContact O-N 3.43Å; L391-R393 VanDerWaalsContact C-N 3.26Å; L391-R393 PolarHBondContact O-N 3.43Å; R393-R396 WeakPolarHBondContact O-CB 3.47Å; R393-R396 PolarHBondContact O-N 3.19Å; R393-Q417 VanDerWaalsContact NH1-OE1 3.1Å
394	H	67.9	Low	64	Low	24 Å²	24	74.9 Å²	74.9	11%	0.111	36%	0.36	C	S	.	.	H	α-helix	trans	-70.7	-37.6	179	170	66.6	0	0	0	112.8	C381 F385 A390 L391 R396 T397 H398	C381-H394 PolarHBondContact SG-NE2 3.39Å; F385-H394 HydrophobicContact CE1-CB 3.92Å; F385-H394 HydrophobicContact CE2-CB 3.9Å; F385-H394 AromaticContact CE2-CD2 3.2Å; F385-H394 WeakPolarHBondContact CE2-CD2 3.48Å; F385-H394 AromaticContact CE2-CG 3.64Å; F385-H394 AromaticContact CE2-NE2 3.87Å; F385-H394 HydrophobicContact CZ-CB 3.44Å; F385-H394 VanDerWaalsContact CZ-CB 3.44Å; F385-H394 AromaticContact CZ-CD2 3.24Å; F385-H394 WeakPolarHBondContact CZ-CD2 3.17Å; F385-H394 AromaticContact CZ-CG 3.2Å; F385-H394 AromaticContact CZ-ND1 3.8Å; F385-H394 AromaticContact CZ-NE2 3.79Å; A390-H394 VanDerWaalsContact O-CB 3.26Å; A390-H394 WeakPolarHBondContact O-CB 3.43Å; A390-H394 PolarHBondContact O-N 3.46Å; L391-H394 CarbonylContact O-C 3.27Å; L391-H394 WeakPolarHBondContact O-CA 3.37Å; L391-H394 WeakPolarHBondContact O-CB 3.29Å; L391-H394 PolarHBondContact O-N 3.14Å; H394-R396 PolarHBondContact O-N 2.98Å; H394-R396 VanDerWaalsContact O-N 3.11Å; H394-T397 PolarHBondContact ND1-OG1 3.39Å; H394-T397 WeakPolarHBondContact O-CA 3.02Å; H394-T397 WeakPolarHBondContact O-CB 3.43Å; H394-T397 PolarHBondContact O-N 3.17Å; H394-T397 PolarHBondContact O-OG1 3.19Å; H394-H398 AromaticContact CE1-NE2 3.5Å; H394-H398 PolarHBondContact CE1-NE2 3.33Å; H394-H398 AromaticContact NE2-NE2 3.58Å
395	R	65.9	Low	63.8	Low	115 Å²	115	76.8 Å²	76.8	43%	0.434	37%	0.372	S	S	.	.	H	α-helix	trans	-57.7	-27.1	172.9	-70.1	-170.9	67.6	-163.6	-0.3	113.2	E380 L391 T397 H398	E380-R395 IonicContact OE1-CZ 3.9Å; E380-R395 IonicContact OE1-NE 3.43Å; E380-R395 PolarHBondContact OE1-NE 2.74Å; E380-R395 IonicContact OE1-NH2 3.8Å; E380-R395 PolarHBondContact OE1-NH2 2.79Å; L391-R395 HydrophobicContact CD1-CG 3.97Å; L391-R395 HydrophobicContact CG-CG 4.47Å; L391-R395 PolarHBondContact O-N 3.5Å; R395-T397 PolarHBondContact O-N 3.38Å; R395-H398 PolarHBondContact O-N 2.91Å
396	R	67.1	Low	63.3	Low	122 Å²	122	78.2 Å²	78.2	46%	0.46	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.7	172.1	-58.6	174.4	-172.1	-168.7	-3.8	113.9	R393 H394 M416	R393-R396 WeakPolarHBondContact O-CB 3.47Å; R393-R396 PolarHBondContact O-N 3.19Å; H394-R396 PolarHBondContact O-N 2.98Å; H394-R396 VanDerWaalsContact O-N 3.11Å; R396-M416 HydrophobicContact CB-CE 4.07Å; R396-M416 HydrophobicContact CB-SD 3.82Å
397	T	60.1	Low	62.9	Low	79 Å²	79	83.1 Å²	83.1	49%	0.485	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-14	175.1	66.8	0	0	0	0	113.8	H394 R395 M416	H394-T397 PolarHBondContact ND1-OG1 3.39Å; H394-T397 WeakPolarHBondContact O-CA 3.02Å; H394-T397 WeakPolarHBondContact O-CB 3.43Å; H394-T397 PolarHBondContact O-N 3.17Å; H394-T397 PolarHBondContact O-OG1 3.19Å; R395-T397 PolarHBondContact O-N 3.38Å; T397-M416 HydrophobicContact CG2-SD 4.38Å
398	H	63	Low	62.4	Low	91 Å²	91	81.9 Å²	81.9	42%	0.421	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-20.7	170.3	-59.9	-46.7	0	0	0	112.7	E380 C381 H394 R395	E380-H398 WeakPolarHBondContact OE2-CB 3.29Å; E380-H398 IonicContact OE2-CD2 3.19Å; E380-H398 PolarHBondContact OE2-CD2 2.93Å; E380-H398 IonicContact OE2-CG 2.92Å; C381-H398 WeakPolarHBondContact CB-NE2 3.42Å; C381-H398 PolarHBondContact SG-NE2 3.35Å; H394-H398 AromaticContact CE1-NE2 3.5Å; H394-H398 PolarHBondContact CE1-NE2 3.33Å; H394-H398 AromaticContact NE2-NE2 3.58Å; R395-H398 PolarHBondContact O-N 2.91Å
399	K	61.4	Low	62	Low	127 Å²	127	81.6 Å²	81.6	55%	0.552	40%	0.4	S	S	*	.	S	Bend	trans	-77.8	146.9	169.3	-71.5	-160	177.3	-167	0	111.7	D403	K399-D403 HydrophobicContact CB-CB 4.26Å; K399-D403 HydrophobicContact CD-CB 4.34Å; K399-D403 WeakPolarHBondContact CD-OD2 3.37Å; K399-D403 WeakPolarHBondContact CE-OD2 3.48Å; K399-D403 IonicContact NZ-OD2 3.61Å; K399-D403 PolarHBondContact NZ-OD2 2.96Å
400	D	54.2	Low	61.3	Low	98 Å²	98	80.8 Å²	80.8	52%	0.524	40%	0.404	S	S	.	.			trans	-49.3	146.8	-176.4	-171.1	-80.1	0	0	0	113.3	S402 D403	D400-S402 PolarHBondContact O-N 3.15Å; D400-S402 WeakPolarHBondContact OD1-CB 3.39Å; D400-S402 PolarHBondContact OD1-N 3.24Å; D400-S402 PolarHBondContact OD1-OG 2.84Å; D400-D403 PolarHBondContact O-N 2.78Å
401	P	55.4	Low	60.5	Low	78 Å²	78	81.8 Å²	81.8	51%	0.506	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-47.1	-21.5	171.1	-29.8	36.5	0	0	0	116.2	R404	P401-R404 WeakPolarHBondContact O-CG 3.42Å
402	S	53.4	Low	59.8	Low	77 Å²	77	88.8 Å²	88.8	54%	0.538	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-66.8	-34.2	173.6	-54.4	0	0	0	0	113.9	D400 R404 R407	D400-S402 PolarHBondContact O-N 3.15Å; D400-S402 WeakPolarHBondContact OD1-CB 3.39Å; D400-S402 PolarHBondContact OD1-N 3.24Å; D400-S402 PolarHBondContact OD1-OG 2.84Å; S402-R404 PolarHBondContact O-N 3.41Å; S402-R407 PolarHBondContact O-NH2 3.21Å
403	D	58.8	Low	58.9	Low	84 Å²	84	92 Å²	92	45%	0.449	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-86.1	26.8	-178.9	-160.4	18.5	0	0	0	112.5	K399 D400 P405	K399-D403 HydrophobicContact CB-CB 4.26Å; K399-D403 HydrophobicContact CD-CB 4.34Å; K399-D403 WeakPolarHBondContact CD-OD2 3.37Å; K399-D403 WeakPolarHBondContact CE-OD2 3.48Å; K399-D403 IonicContact NZ-OD2 3.61Å; K399-D403 PolarHBondContact NZ-OD2 2.96Å; D400-D403 PolarHBondContact O-N 2.78Å; D403-P405 VanDerWaalsContact O-CD 3.31Å; D403-P405 WeakPolarHBondContact O-CD 3.27Å
404	R	62.8	Low	58.3	Low	95 Å²	95	87.7 Å²	87.7	36%	0.358	44%	0.443	S	S	.	.			trans	-86.6	110.7	177	-66.8	-172.4	-173.8	172.3	9.5	110.3	P401 S402 F406 G414 M416	P401-R404 WeakPolarHBondContact O-CG 3.42Å; S402-R404 PolarHBondContact O-N 3.41Å; R404-F406 VanDerWaalsContact C-N 3.26Å; R404-F406 PolarHBondContact O-N 3.01Å; R404-G414 WeakPolarHBondContact CD-O 3.15Å; R404-G414 PolarHBondContact NH1-O 3.07Å; R404-M416 HydrophobicContact CB-CE 4.11Å; R404-M416 HydrophobicContact CG-CE 3.78Å; R404-M416 HydrophobicContact CG-SD 4.37Å
405	P	61.2	Low	58	Low	76 Å²	76	88.6 Å²	88.6	49%	0.494	45%	0.447	S	S	.	.	S	Bend	trans	-70	-19.8	-168.4	-20.6	33.5	0	0	0	114.8	D403	D403-P405 VanDerWaalsContact O-CD 3.31Å; D403-P405 WeakPolarHBondContact O-CD 3.27Å
406	F	61.6	Low	57.6	Low	66 Å²	66	84.7 Å²	84.7	29%	0.289	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	81.5	-172.9	-54.1	-69.5	0	0	0	109.5	R404 F415 P418 L421	R404-F406 VanDerWaalsContact C-N 3.26Å; R404-F406 PolarHBondContact O-N 3.01Å; F406-F415 HydrophobicContact CB-CB 4.36Å; F406-F415 PolarHBondContact N-O 3.46Å; F406-F415 WeakPolarHBondContact O-CB 3.37Å; F406-F415 PolarHBondContact O-N 3.09Å; F406-P418 HydrophobicContact CD1-CB 4.5Å; F406-P418 HydrophobicContact CD1-CG 4.08Å; F406-P418 HydrophobicContact CD2-CG 4.31Å; F406-P418 HydrophobicContact CE1-CG 3.7Å; F406-P418 HydrophobicContact CE2-CG 3.93Å; F406-P418 HydrophobicContact CG-CG 4.37Å; F406-P418 HydrophobicContact CZ-CG 3.61Å; F406-L421 HydrophobicContact CB-CB 4Å; F406-L421 HydrophobicContact CB-CD2 3.78Å; F406-L421 HydrophobicContact CB-CG 4.49Å
407	R	55.7	Low	57	Low	155 Å²	155	81.3 Å²	81.3	59%	0.585	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	143.9	176.1	-60.7	-174.6	-179.8	-160.5	1.2	110.6	S402 L421	S402-R407 PolarHBondContact O-NH2 3.21Å; R407-L421 WeakPolarHBondContact O-CD2 3.41Å
408	C	56.3	Low	56.5	Low	8 Å²	8	80.7 Å²	80.7	5%	0.054	42%	0.42	C	S	.	.			trans	-79.2	137.4	171	-171.9	0	0	0	0	109.9	L410 C411 K413 F415 L421 H428	C408-L410 VanDerWaalsContact C-N 3.28Å; C408-C411 CarbonylContact C-O 3.51Å; C408-C411 WeakPolarHBondContact CB-O 3.16Å; C408-K413 PolarHBondContact N-O 2.56Å; C408-K413 VanDerWaalsContact N-O 3.1Å; C408-F415 HydrophobicContact CB-CE2 4.42Å; C408-L421 HydrophobicContact CB-CD1 3.65Å; C408-H428 VanDerWaalsContact SG-CD2 3.58Å
409	S	57.8	Low	55.9	Low	105 Å²	105	79.4 Å²	79.4	73%	0.734	42%	0.422	S	S	*	.	S	Bend	trans	-77.8	-13.8	175.8	46	0	0	0	0	113.3
410	L	54.2	Low	55.7	Low	113 Å²	113	78 Å²	78	59%	0.592	42%	0.417	S	S	*	.	S	Bend	trans	-105.1	-8.3	-176.6	-57.4	175.3	0	0	0	112.9	C408 H428	C408-L410 VanDerWaalsContact C-N 3.28Å; L410-H428 HydrophobicContact CB-CB 4.16Å; L410-H428 HydrophobicContact CD1-CB 3.52Å; L410-H428 HydrophobicContact CG-CB 4.49Å
411	C	49.5	Very low	55.7	Low	34 Å²	34	74.3 Å²	74.3	23%	0.23	40%	0.397	C	S	.	.	S	Bend	trans	-164.3	156.4	162.8	69.7	0	0	0	0	110.4	C408 K413 H424 H428	C408-C411 CarbonylContact C-O 3.51Å; C408-C411 WeakPolarHBondContact CB-O 3.16Å; C411-K413 PolarHBondContact O-N 2.88Å; C411-H424 PolarHBondContact SG-NE2 3.01Å; C411-H428 PolarHBondContact SG-CE1 3.13Å; C411-H428 PolarHBondContact SG-NE2 3.02Å; C411-H428 VanDerWaalsContact SG-NE2 3.35Å
412	D	54.8	Low	55.8	Low	164 Å²	164	75.3 Å²	75.3	88%	0.877	40%	0.398	S	S	*	.	S	Bend	trans	-68.3	19.1	-174.9	-57.4	-65	0	0	0	116.2	G414	D412-G414 PolarHBondContact O-N 2.85Å
413	K	51.5	Low	55.9	Low	124 Å²	124	79.4 Å²	79.4	54%	0.539	40%	0.403	S	S	.	.			trans	-75.4	110.4	175.2	-67.3	175.3	-172.7	162.1	0	109.9	C408 C411 F415	C408-K413 PolarHBondContact N-O 2.56Å; C408-K413 VanDerWaalsContact N-O 3.1Å; C411-K413 PolarHBondContact O-N 2.88Å; K413-F415 HydrophobicContact CB-CE2 3.64Å; K413-F415 HydrophobicContact CB-CZ 3.86Å; K413-F415 VanDerWaalsContact O-CD2 3.27Å; K413-F415 WeakPolarHBondContact O-CD2 3.28Å; K413-F415 WeakPolarHBondContact O-CE2 3.45Å
414	G	52.8	Low	55.6	Low	7 Å²	7	76.4 Å²	76.4	7%	0.072	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	140.6	167.7	0	0	0	0	0	112.9	R404 D412	R404-G414 WeakPolarHBondContact CD-O 3.15Å; R404-G414 PolarHBondContact NH1-O 3.07Å; D412-G414 PolarHBondContact O-N 2.85Å
415	F	61.7	Low	55.2	Low	42 Å²	42	75 Å²	75	18%	0.184	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153.1	177.2	-62.7	-90	0	0	0	112.1	F406 C408 K413 H420 L421 H424	F406-F415 HydrophobicContact CB-CB 4.36Å; F406-F415 PolarHBondContact N-O 3.46Å; F406-F415 WeakPolarHBondContact O-CB 3.37Å; F406-F415 PolarHBondContact O-N 3.09Å; C408-F415 HydrophobicContact CB-CE2 4.42Å; K413-F415 HydrophobicContact CB-CE2 3.64Å; K413-F415 HydrophobicContact CB-CZ 3.86Å; K413-F415 VanDerWaalsContact O-CD2 3.27Å; K413-F415 WeakPolarHBondContact O-CD2 3.28Å; K413-F415 WeakPolarHBondContact O-CE2 3.45Å; F415-H420 HydrophobicContact CB-CB 4.45Å; F415-H420 HydrophobicContact CD1-CB 3.98Å; F415-L421 HydrophobicContact CB-CB 4.17Å; F415-L421 HydrophobicContact CD2-CB 4.24Å; F415-L421 HydrophobicContact CD2-CD1 3.96Å; F415-L421 HydrophobicContact CE2-CD1 4.42Å; F415-L421 HydrophobicContact CG-CB 4.34Å; F415-H424 HydrophobicContact CE1-CB 3.87Å; F415-H424 HydrophobicContact CE2-CB 3.86Å; F415-H424 AromaticContact CE2-CD2 3.11Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.38Å; F415-H424 AromaticContact CE2-CG 3.54Å; F415-H424 AromaticContact CE2-NE2 3.84Å; F415-H424 HydrophobicContact CZ-CB 3.47Å; F415-H424 VanDerWaalsContact CZ-CB 3.47Å; F415-H424 AromaticContact CZ-CD2 3.21Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.4Å; F415-H424 AromaticContact CZ-CG 3.16Å; F415-H424 AromaticContact CZ-ND1 3.78Å; F415-H424 AromaticContact CZ-NE2 3.8Å
416	M	57.2	Low	54.8	Low	34 Å²	34	75.9 Å²	75.9	17%	0.167	38%	0.381	C	S	.	.	S	Bend	trans	-90.9	-11	-178.5	-62	-91.6	64.9	0	0	113.9	R396 T397 R404	R396-M416 HydrophobicContact CB-CE 4.07Å; R396-M416 HydrophobicContact CB-SD 3.82Å; T397-M416 HydrophobicContact CG2-SD 4.38Å; R404-M416 HydrophobicContact CB-CE 4.11Å; R404-M416 HydrophobicContact CG-CE 3.78Å; R404-M416 HydrophobicContact CG-SD 4.37Å
417	Q	54	Low	54.3	Low	51 Å²	51	77.7 Å²	77.7	24%	0.238	40%	0.397	C	S	.	.	S	Bend	trans	-139.9	140.7	-178.8	-61.1	-167.1	-106	0	0	110.4	R393 S419 H420 L421	R393-Q417 VanDerWaalsContact NH1-OE1 3.1Å; Q417-S419 PolarHBondContact O-N 3.27Å; Q417-H420 HydrophobicContact CB-CB 4.45Å; Q417-H420 PolarHBondContact O-N 2.81Å; Q417-H420 PolarHBondContact OE1-CE1 3.19Å; Q417-L421 PolarHBondContact O-N 3.25Å; Q417-L421 VanDerWaalsContact O-N 3.1Å
418	P	48.5	Very low	54.1	Low	65 Å²	65	73.5 Å²	73.5	42%	0.422	38%	0.384	S	S	.	.	H	α-helix	trans	-57.5	-38.5	175	-21.1	30.4	0	0	0	112.1	F406 H420 L421 L422	F406-P418 HydrophobicContact CD1-CB 4.5Å; F406-P418 HydrophobicContact CD1-CG 4.08Å; F406-P418 HydrophobicContact CD2-CG 4.31Å; F406-P418 HydrophobicContact CE1-CG 3.7Å; F406-P418 HydrophobicContact CE2-CG 3.93Å; F406-P418 HydrophobicContact CG-CG 4.37Å; F406-P418 HydrophobicContact CZ-CG 3.61Å; P418-H420 VanDerWaalsContact C-N 3.26Å; P418-H420 PolarHBondContact O-N 2.8Å; P418-L421 PolarHBondContact O-N 2.92Å; P418-L422 WeakPolarHBondContact O-CB 3.19Å; P418-L422 VanDerWaalsContact O-CG 3.29Å; P418-L422 WeakPolarHBondContact O-CG 3.3Å; P418-L422 PolarHBondContact O-N 3.49Å
419	S	50.7	Low	53.7	Low	65 Å²	65	75.4 Å²	75.4	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-60.5	-32.7	177.4	55.8	0	0	0	0	113.6	Q417 Y423	Q417-S419 PolarHBondContact O-N 3.27Å; S419-Y423 WeakPolarHBondContact O-CB 3.5Å; S419-Y423 PolarHBondContact O-N 3.34Å; S419-Y423 VanDerWaalsContact O-N 3.1Å
420	H	57.1	Low	52.8	Low	97 Å²	97	76.4 Å²	76.4	45%	0.449	40%	0.399	S	S	.	.	H	α-helix	trans	-82.4	-33.2	176.8	-63.5	163.4	0	0	0	111.9	F415 Q417 P418 H424	F415-H420 HydrophobicContact CB-CB 4.45Å; F415-H420 HydrophobicContact CD1-CB 3.98Å; Q417-H420 HydrophobicContact CB-CB 4.45Å; Q417-H420 PolarHBondContact O-N 2.81Å; Q417-H420 PolarHBondContact OE1-CE1 3.19Å; P418-H420 VanDerWaalsContact C-N 3.26Å; P418-H420 PolarHBondContact O-N 2.8Å; H420-H424 WeakPolarHBondContact O-CB 3.4Å; H420-H424 PolarHBondContact O-N 3.2Å
421	L	56	Low	52.3	Low	20 Å²	20	77.8 Å²	77.8	11%	0.105	41%	0.407	C	S	.	.	H	α-helix	trans	-62.9	-48.5	169	172.4	59.5	0	0	0	110.8	F406 R407 C408 F415 Q417 P418 Y423 H424 Q425	F406-L421 HydrophobicContact CB-CB 4Å; F406-L421 HydrophobicContact CB-CD2 3.78Å; F406-L421 HydrophobicContact CB-CG 4.49Å; R407-L421 WeakPolarHBondContact O-CD2 3.41Å; C408-L421 HydrophobicContact CB-CD1 3.65Å; F415-L421 HydrophobicContact CB-CB 4.17Å; F415-L421 HydrophobicContact CD2-CB 4.24Å; F415-L421 HydrophobicContact CD2-CD1 3.96Å; F415-L421 HydrophobicContact CE2-CD1 4.42Å; F415-L421 HydrophobicContact CG-CB 4.34Å; Q417-L421 PolarHBondContact O-N 3.25Å; Q417-L421 VanDerWaalsContact O-N 3.1Å; P418-L421 PolarHBondContact O-N 2.92Å; L421-Y423 PolarHBondContact O-N 3.43Å; L421-H424 CarbonylContact O-C 3.52Å; L421-H424 WeakPolarHBondContact O-CA 3.26Å; L421-H424 WeakPolarHBondContact O-CB 3.4Å; L421-H424 PolarHBondContact O-N 2.96Å; L421-Q425 HydrophobicContact CD1-CG 3.95Å; L421-Q425 HydrophobicContact CG-CG 4.35Å; L421-Q425 WeakPolarHBondContact O-CG 3.44Å; L421-Q425 PolarHBondContact O-N 3.4Å
422	L	56.5	Low	52.3	Low	99 Å²	99	78.9 Å²	78.9	52%	0.518	41%	0.411	S	S	.	.	H	α-helix	trans	-59.6	-46	178.1	-72.1	165.8	0	0	0	111.7	P418 H424 Q425 H426	P418-L422 WeakPolarHBondContact O-CB 3.19Å; P418-L422 VanDerWaalsContact O-CG 3.29Å; P418-L422 WeakPolarHBondContact O-CG 3.3Å; P418-L422 PolarHBondContact O-N 3.49Å; L422-H424 VanDerWaalsContact C-N 3.27Å; L422-H424 PolarHBondContact O-N 3.42Å; L422-Q425 PolarHBondContact O-N 2.93Å; L422-H426 PolarHBondContact O-N 3.43Å; L422-H426 PolarHBondContact O-ND1 3.45Å
423	Y	54.8	Low	52.1	Low	164 Å²	164	75.7 Å²	75.7	64%	0.643	39%	0.393	S	S	*	.	H	α-helix	trans	-63.2	-33.9	174.5	-174.9	-102.9	0	0	0	112.5	S419 L421	S419-Y423 WeakPolarHBondContact O-CB 3.5Å; S419-Y423 PolarHBondContact O-N 3.34Å; S419-Y423 VanDerWaalsContact O-N 3.1Å; L421-Y423 PolarHBondContact O-N 3.43Å
424	H	53.8	Low	52	Low	21 Å²	21	72.6 Å²	72.6	10%	0.097	38%	0.38	C	S	.	.	H	α-helix	trans	-74.7	-33.2	174.6	178.1	58.6	0	0	0	113.2	C411 F415 H420 L421 L422 H426 V427 H428	C411-H424 PolarHBondContact SG-NE2 3.01Å; F415-H424 HydrophobicContact CE1-CB 3.87Å; F415-H424 HydrophobicContact CE2-CB 3.86Å; F415-H424 AromaticContact CE2-CD2 3.11Å; F415-H424 WeakPolarHBondContact CE2-CD2 3.38Å; F415-H424 AromaticContact CE2-CG 3.54Å; F415-H424 AromaticContact CE2-NE2 3.84Å; F415-H424 HydrophobicContact CZ-CB 3.47Å; F415-H424 VanDerWaalsContact CZ-CB 3.47Å; F415-H424 AromaticContact CZ-CD2 3.21Å; F415-H424 WeakPolarHBondContact CZ-CD2 3.4Å; F415-H424 AromaticContact CZ-CG 3.16Å; F415-H424 AromaticContact CZ-ND1 3.78Å; F415-H424 AromaticContact CZ-NE2 3.8Å; H420-H424 WeakPolarHBondContact O-CB 3.4Å; H420-H424 PolarHBondContact O-N 3.2Å; L421-H424 CarbonylContact O-C 3.52Å; L421-H424 WeakPolarHBondContact O-CA 3.26Å; L421-H424 WeakPolarHBondContact O-CB 3.4Å; L421-H424 PolarHBondContact O-N 2.96Å; L422-H424 VanDerWaalsContact C-N 3.27Å; L422-H424 PolarHBondContact O-N 3.42Å; H424-H426 PolarHBondContact O-N 3.3Å; H424-V427 WeakPolarHBondContact O-CA 3.46Å; H424-V427 VanDerWaalsContact O-CB 3.25Å; H424-V427 WeakPolarHBondContact O-CB 3.33Å; H424-V427 PolarHBondContact O-N 2.91Å; H424-H428 AromaticContact CD2-NE2 3.65Å; H424-H428 AromaticContact CE1-NE2 3.32Å; H424-H428 PolarHBondContact CE1-NE2 3.28Å; H424-H428 VanDerWaalsContact CE1-NE2 3.32Å; H424-H428 AromaticContact NE2-CD2 3.78Å; H424-H428 AromaticContact NE2-CE1 3.91Å; H424-H428 AromaticContact NE2-NE2 2.93Å; H424-H428 PolarHBondContact NE2-NE2 2.95Å; H424-H428 PolarHBondContact O-CD2 2.71Å
425	Q	52.8	Low	51.9	Low	64 Å²	64	77.1 Å²	77.1	30%	0.299	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-31.8	173.3	-77	168.5	-45.7	0	0	111.5	L421 L422 V427 H428	L421-Q425 HydrophobicContact CD1-CG 3.95Å; L421-Q425 HydrophobicContact CG-CG 4.35Å; L421-Q425 WeakPolarHBondContact O-CG 3.44Å; L421-Q425 PolarHBondContact O-N 3.4Å; L422-Q425 PolarHBondContact O-N 2.93Å; Q425-V427 PolarHBondContact O-N 2.86Å; Q425-H428 PolarHBondContact O-N 3.25Å; Q425-H428 VanDerWaalsContact O-N 3.14Å
426	H	54	Low	51.3	Low	96 Å²	96	75.7 Å²	75.7	44%	0.444	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-63.7	-20.6	170.1	-72.2	60.6	0	0	0	113.3	L422 H424 H428	L422-H426 PolarHBondContact O-N 3.43Å; L422-H426 PolarHBondContact O-ND1 3.45Å; H424-H426 PolarHBondContact O-N 3.3Å; H426-H428 VanDerWaalsContact C-N 3.31Å
427	V	51.4	Low	50.8	Low	104 Å²	104	78.5 Å²	78.5	63%	0.63	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-78.9	-15.4	177.1	-173.2	0	0	0	0	112	H424 Q425 G429	H424-V427 WeakPolarHBondContact O-CA 3.46Å; H424-V427 VanDerWaalsContact O-CB 3.25Å; H424-V427 WeakPolarHBondContact O-CB 3.33Å; H424-V427 PolarHBondContact O-N 2.91Å; Q425-V427 PolarHBondContact O-N 2.86Å; V427-G429 VanDerWaalsContact C-N 3.34Å
428	H	50.3	Low	50.8	Low	67 Å²	67	80.9 Å²	80.9	31%	0.31	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-91.6	14	-179.3	-69.7	-73.3	0	0	0	114.4	C408 L410 C411 H424 Q425 H426	C408-H428 VanDerWaalsContact SG-CD2 3.58Å; L410-H428 HydrophobicContact CB-CB 4.16Å; L410-H428 HydrophobicContact CD1-CB 3.52Å; L410-H428 HydrophobicContact CG-CB 4.49Å; C411-H428 PolarHBondContact SG-CE1 3.13Å; C411-H428 PolarHBondContact SG-NE2 3.02Å; C411-H428 VanDerWaalsContact SG-NE2 3.35Å; H424-H428 AromaticContact CD2-NE2 3.65Å; H424-H428 AromaticContact CE1-NE2 3.32Å; H424-H428 PolarHBondContact CE1-NE2 3.28Å; H424-H428 VanDerWaalsContact CE1-NE2 3.32Å; H424-H428 AromaticContact NE2-CD2 3.78Å; H424-H428 AromaticContact NE2-CE1 3.91Å; H424-H428 AromaticContact NE2-NE2 2.93Å; H424-H428 PolarHBondContact NE2-NE2 2.95Å; H424-H428 PolarHBondContact O-CD2 2.71Å; Q425-H428 PolarHBondContact O-N 3.25Å; Q425-H428 VanDerWaalsContact O-N 3.14Å; H426-H428 VanDerWaalsContact C-N 3.31Å
429	G	49.2	Very low	51.4	Low	48 Å²	48	80 Å²	80	50%	0.495	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	76.2	173.1	0	0	0	0	0	114.2	V427	V427-G429 VanDerWaalsContact C-N 3.34Å
430	M	38.3	Very low	51.7	Low	125 Å²	125	83 Å²	83	62%	0.616	45%	0.445	S	S	*	.			trans	-115.9	84.3	138.6	-75.2	-160.2	76.1	0	0	107.2	N432 L433	M430-N432 PolarHBondContact O-N 2.74Å; M430-L433 HydrophobicContact CB-CD1 3.98Å; M430-L433 HydrophobicContact CB-CG 4.34Å; M430-L433 HydrophobicContact CE-CD1 3.99Å; M430-L433 HydrophobicContact CE-CD2 3.79Å; M430-L433 HydrophobicContact CE-CG 4Å; M430-L433 HydrophobicContact SD-CD1 3.94Å
431	D	43.8	Very low	51.6	Low	143 Å²	143	84.5 Å²	84.5	77%	0.765	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	130.9	172.2	-70.6	-55.4	0	0	0	109.3	L433	D431-L433 PolarHBondContact O-N 2.98Å
432	N	48.7	Very low	51.1	Low	56 Å²	56	87.8 Å²	87.8	30%	0.299	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	42.8	157.6	-62.8	-18.7	0	0	0	117.9	M430 K435 E442	M430-N432 PolarHBondContact O-N 2.74Å; N432-K435 VanDerWaalsContact O-CE 3.27Å; N432-K435 WeakPolarHBondContact O-CE 3.45Å; N432-E442 HydrophobicContact CB-CB 3.73Å; N432-E442 HydrophobicContact CB-CG 4.13Å; N432-E442 VanDerWaalsContact CB-OE2 3.26Å; N432-E442 WeakPolarHBondContact CB-OE2 3.43Å; N432-E442 VanDerWaalsContact CG-OE2 3.24Å; N432-E442 PolarHBondContact ND2-OE2 3.32Å
433	L	50	Low	51.1	Low	97 Å²	97	84.8 Å²	84.8	51%	0.508	45%	0.448	S	S	.	.			trans	-66.3	-29.9	168.8	-84.6	169.7	0	0	0	114.6	M430 D431 K435	M430-L433 HydrophobicContact CB-CD1 3.98Å; M430-L433 HydrophobicContact CB-CG 4.34Å; M430-L433 HydrophobicContact CE-CD1 3.99Å; M430-L433 HydrophobicContact CE-CD2 3.79Å; M430-L433 HydrophobicContact CE-CG 4Å; M430-L433 HydrophobicContact SD-CD1 3.94Å; D431-L433 PolarHBondContact O-N 2.98Å; L433-K435 PolarHBondContact O-N 3.1Å
434	F	50.9	Low	50.7	Low	59 Å²	59	80.4 Å²	80.4	26%	0.259	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	83.8	-175.1	-59.1	-69.8	0	0	0	110.5	F443 L449	F434-F443 HydrophobicContact CB-CB 4.14Å; F434-F443 WeakPolarHBondContact O-CB 3.48Å; F434-F443 WeakPolarHBondContact O-CD2 3.32Å; F434-F443 PolarHBondContact O-N 3.09Å; F434-L449 HydrophobicContact CB-CB 4.07Å; F434-L449 HydrophobicContact CB-CD2 3.86Å; F434-L449 HydrophobicContact CD1-CD2 4.38Å
435	K	50	Low	50.6	Low	102 Å²	102	83 Å²	83	44%	0.443	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.6	175.3	-47.3	-160.3	-173.2	-162.4	0	110.4	N432 L433 A437 K441 E442	N432-K435 VanDerWaalsContact O-CE 3.27Å; N432-K435 WeakPolarHBondContact O-CE 3.45Å; L433-K435 PolarHBondContact O-N 3.1Å; K435-A437 PolarHBondContact O-N 3.24Å; K435-K441 WeakPolarHBondContact CA-O 3.28Å; K435-E442 HydrophobicContact CD-CG 4.06Å; K435-E442 WeakPolarHBondContact CE-OE1 3.37Å; K435-E442 HydrophobicContact CG-CG 4.15Å; K435-E442 IonicContact NZ-OE1 3.85Å; K435-E442 PolarHBondContact NZ-OE1 2.75Å
436	C	48.8	Very low	50	Low	13 Å²	13	82.8 Å²	82.8	9%	0.088	46%	0.46	C	S	.	.			trans	-75.8	112.7	171.1	-180	0	0	0	0	109.9	S438 C439 Q440 K441 F443 L449 C454	C436-S438 PolarHBondContact O-N 3.33Å; C436-C439 VanDerWaalsContact CB-SG 3.6Å; C436-C439 PolarHBondContact O-N 3.17Å; C436-C439 VanDerWaalsContact O-N 3.11Å; C436-Q440 VanDerWaalsContact O-CA 3.28Å; C436-Q440 WeakPolarHBondContact O-CA 3.49Å; C436-Q440 PolarHBondContact O-N 3.23Å; C436-K441 PolarHBondContact N-O 3.26Å; C436-F443 HydrophobicContact CB-CE2 4.26Å; C436-L449 HydrophobicContact CB-CD1 3.62Å; C436-C454 VanDerWaalsContact SG-SG 3.69Å
437	A	48.2	Very low	49.6	Very low	92 Å²	92	79.9 Å²	79.9	76%	0.76	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.3	-179.8	0	0	0	0	0	114.1	K435	K435-A437 PolarHBondContact O-N 3.24Å
438	S	52.2	Low	49.6	Very low	101 Å²	101	77.6 Å²	77.6	71%	0.706	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-14.1	-177.8	-47.7	0	0	0	0	115.2	C436	C436-S438 PolarHBondContact O-N 3.33Å
439	C	62.4	Low	49.6	Very low	48 Å²	48	76.6 Å²	76.6	32%	0.324	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.1	5	-180	73.9	0	0	0	0	114.9	C436 K441 H452	C436-C439 VanDerWaalsContact CB-SG 3.6Å; C436-C439 PolarHBondContact O-N 3.17Å; C436-C439 VanDerWaalsContact O-N 3.11Å; C439-K441 PolarHBondContact O-N 2.82Å; C439-H452 PolarHBondContact SG-NE2 3.11Å
440	Q	56.2	Low	49.7	Very low	127 Å²	127	81.6 Å²	81.6	59%	0.593	45%	0.449	S	S	*	.			trans	53.8	9.9	-177	-57.2	-63.5	-6.2	0	0	116.3	C436 E442	C436-Q440 VanDerWaalsContact O-CA 3.28Å; C436-Q440 WeakPolarHBondContact O-CA 3.49Å; C436-Q440 PolarHBondContact O-N 3.23Å; Q440-E442 PolarHBondContact O-N 2.97Å
441	K	54.6	Low	50.4	Low	128 Å²	128	81 Å²	81	56%	0.557	44%	0.44	S	S	*	.			trans	-64.9	132.8	175.5	-72.3	-176.7	179	178.4	0	110.9	K435 C436 C439 F443	K435-K441 WeakPolarHBondContact CA-O 3.28Å; C436-K441 PolarHBondContact N-O 3.26Å; C439-K441 PolarHBondContact O-N 2.82Å; K441-F443 HydrophobicContact CB-CE2 3.92Å; K441-F443 HydrophobicContact CB-CZ 4.01Å; K441-F443 WeakPolarHBondContact O-CD2 3.19Å; K441-F443 VanDerWaalsContact O-CE2 3.32Å; K441-F443 WeakPolarHBondContact O-CE2 3.24Å
442	E	46.8	Very low	51.2	Low	89 Å²	89	76.9 Å²	76.9	42%	0.416	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.6	-173.6	-60.3	-168.2	156.8	0	0	111	N432 K435 Q440	N432-E442 HydrophobicContact CB-CB 3.73Å; N432-E442 HydrophobicContact CB-CG 4.13Å; N432-E442 VanDerWaalsContact CB-OE2 3.26Å; N432-E442 WeakPolarHBondContact CB-OE2 3.43Å; N432-E442 VanDerWaalsContact CG-OE2 3.24Å; N432-E442 PolarHBondContact ND2-OE2 3.32Å; K435-E442 HydrophobicContact CD-CG 4.06Å; K435-E442 WeakPolarHBondContact CE-OE1 3.37Å; K435-E442 HydrophobicContact CG-CG 4.15Å; K435-E442 IonicContact NZ-OE1 3.85Å; K435-E442 PolarHBondContact NZ-OE1 2.75Å; Q440-E442 PolarHBondContact O-N 2.97Å
443	F	55.1	Low	51.2	Low	36 Å²	36	83.5 Å²	83.5	16%	0.158	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.1	-177.2	-61.9	-81.3	0	0	0	112.1	F434 C436 K441 Q445 E448 L449 H452	F434-F443 HydrophobicContact CB-CB 4.14Å; F434-F443 WeakPolarHBondContact O-CB 3.48Å; F434-F443 WeakPolarHBondContact O-CD2 3.32Å; F434-F443 PolarHBondContact O-N 3.09Å; C436-F443 HydrophobicContact CB-CE2 4.26Å; K441-F443 HydrophobicContact CB-CE2 3.92Å; K441-F443 HydrophobicContact CB-CZ 4.01Å; K441-F443 WeakPolarHBondContact O-CD2 3.19Å; K441-F443 VanDerWaalsContact O-CE2 3.32Å; K441-F443 WeakPolarHBondContact O-CE2 3.24Å; F443-Q445 PolarHBondContact O-N 2.63Å; F443-E448 HydrophobicContact CB-CB 4.19Å; F443-E448 HydrophobicContact CD1-CB 3.77Å; F443-E448 HydrophobicContact CG-CB 4.25Å; F443-L449 HydrophobicContact CB-CB 4.35Å; F443-L449 HydrophobicContact CD2-CB 3.88Å; F443-L449 HydrophobicContact CD2-CD1 3.97Å; F443-L449 HydrophobicContact CE2-CD1 4.06Å; F443-L449 HydrophobicContact CG-CB 4.25Å; F443-H452 HydrophobicContact CE1-CB 4.48Å; F443-H452 HydrophobicContact CE2-CB 4.06Å; F443-H452 HydrophobicContact CZ-CB 3.72Å; F443-H452 AromaticContact CZ-CG 3.61Å; F443-H452 AromaticContact CZ-ND1 3.68Å
444	S	47.3	Very low	51	Low	72 Å²	72	82 Å²	82	50%	0.503	44%	0.439	S	S	.	.	S	Bend	trans	-67.8	-20.4	176.1	73.4	0	0	0	0	113.9	E448	S444-E448 PolarHBondContact OG-OE2 3.27Å
445	Q	51.4	Low	50.4	Low	75 Å²	75	82.6 Å²	82.6	35%	0.35	46%	0.462	S	S	.	.	S	Bend	trans	-141.4	136.5	-172.5	-70.4	156.6	74.3	0	0	110.8	F443 G447 E448 L449	F443-Q445 PolarHBondContact O-N 2.63Å; Q445-G447 PolarHBondContact O-N 3.19Å; Q445-E448 HydrophobicContact CB-CB 4.47Å; Q445-E448 HydrophobicContact CB-CG 4.04Å; Q445-E448 VanDerWaalsContact NE2-CD 3.33Å; Q445-E448 PolarHBondContact NE2-OE1 3.32Å; Q445-E448 PolarHBondContact NE2-OE2 3.23Å; Q445-E448 WeakPolarHBondContact O-CB 3.37Å; Q445-E448 PolarHBondContact O-N 3.39Å; Q445-L449 PolarHBondContact O-N 3.42Å
446	S	40.8	Very low	49.8	Very low	61 Å²	61	87.2 Å²	87.2	43%	0.427	49%	0.485	S	S	.	.	H	α-helix	trans	-56.7	-33.8	175.5	56.6	0	0	0	0	113.7	E448 L449 L450	S446-E448 PolarHBondContact O-N 3.04Å; S446-L449 PolarHBondContact O-N 3.31Å; S446-L450 WeakPolarHBondContact O-CB 3.44Å; S446-L450 WeakPolarHBondContact O-CG 3.25Å; S446-L450 PolarHBondContact O-N 2.63Å
447	G	46.1	Very low	48.9	Very low	35 Å²	35	91.7 Å²	91.7	36%	0.361	52%	0.517	S	S	.	.	H	α-helix	trans	-73.3	-3.7	175	0	0	0	0	0	115.3	Q445 R451	Q445-G447 PolarHBondContact O-N 3.19Å; G447-R451 PolarHBondContact O-NH2 3.27Å
448	E	51.4	Low	48.4	Very low	55 Å²	55	91.9 Å²	91.9	26%	0.257	51%	0.513	S	S	.	.	H	α-helix	trans	-94.8	-45	170.1	-66.3	173	165.4	0	0	109.7	F443 S444 Q445 S446 L450 R451 H452	F443-E448 HydrophobicContact CB-CB 4.19Å; F443-E448 HydrophobicContact CD1-CB 3.77Å; F443-E448 HydrophobicContact CG-CB 4.25Å; S444-E448 PolarHBondContact OG-OE2 3.27Å; Q445-E448 HydrophobicContact CB-CB 4.47Å; Q445-E448 HydrophobicContact CB-CG 4.04Å; Q445-E448 VanDerWaalsContact NE2-CD 3.33Å; Q445-E448 PolarHBondContact NE2-OE1 3.32Å; Q445-E448 PolarHBondContact NE2-OE2 3.23Å; Q445-E448 WeakPolarHBondContact O-CB 3.37Å; Q445-E448 PolarHBondContact O-N 3.39Å; S446-E448 PolarHBondContact O-N 3.04Å; E448-L450 PolarHBondContact O-N 3Å; E448-R451 PolarHBondContact O-N 3.33Å; E448-H452 PolarHBondContact O-N 3.22Å
449	L	50.1	Low	47.9	Very low	46 Å²	46	95.1 Å²	95.1	24%	0.241	52%	0.522	C	S	.	.	H	α-helix	trans	-56.4	-47.2	169.7	174.9	60	0	0	0	112.3	F434 C436 F443 Q445 S446 R451 H452	F434-L449 HydrophobicContact CB-CB 4.07Å; F434-L449 HydrophobicContact CB-CD2 3.86Å; F434-L449 HydrophobicContact CD1-CD2 4.38Å; C436-L449 HydrophobicContact CB-CD1 3.62Å; F443-L449 HydrophobicContact CB-CB 4.35Å; F443-L449 HydrophobicContact CD2-CB 3.88Å; F443-L449 HydrophobicContact CD2-CD1 3.97Å; F443-L449 HydrophobicContact CE2-CD1 4.06Å; F443-L449 HydrophobicContact CG-CB 4.25Å; Q445-L449 PolarHBondContact O-N 3.42Å; S446-L449 PolarHBondContact O-N 3.31Å; L449-R451 PolarHBondContact O-N 3.07Å; L449-H452 WeakPolarHBondContact O-CB 3.4Å; L449-H452 PolarHBondContact O-N 2.81Å
450	L	50.7	Low	46.7	Very low	154 Å²	154	98.1 Å²	98.1	81%	0.806	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-12.4	177	-81.2	163.1	0	0	0	114.7	S446 E448	S446-L450 WeakPolarHBondContact O-CB 3.44Å; S446-L450 WeakPolarHBondContact O-CG 3.25Å; S446-L450 PolarHBondContact O-N 2.63Å; E448-L450 PolarHBondContact O-N 3Å
451	R	52.8	Low	45.9	Very low	113 Å²	113	97.7 Å²	97.7	43%	0.426	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.1	-9	178.8	-149.4	-174.3	-41	143.5	28.3	112.3	G447 E448 L449 K476	G447-R451 PolarHBondContact O-NH2 3.27Å; E448-R451 PolarHBondContact O-N 3.33Å; L449-R451 PolarHBondContact O-N 3.07Å; R451-K476 PolarHBondContact NH1-O 2.84Å
452	H	59.8	Low	45.7	Very low	56 Å²	56	97.7 Å²	97.7	26%	0.259	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-79	118.8	177.5	-175.9	70.2	0	0	0	109.5	C439 F443 E448 L449 C454	C439-H452 PolarHBondContact SG-NE2 3.11Å; F443-H452 HydrophobicContact CE1-CB 4.48Å; F443-H452 HydrophobicContact CE2-CB 4.06Å; F443-H452 HydrophobicContact CZ-CB 3.72Å; F443-H452 AromaticContact CZ-CG 3.61Å; F443-H452 AromaticContact CZ-ND1 3.68Å; E448-H452 PolarHBondContact O-N 3.22Å; L449-H452 WeakPolarHBondContact O-CB 3.4Å; L449-H452 PolarHBondContact O-N 2.81Å; H452-C454 PolarHBondContact NE2-SG 2.99Å
453	K	49	Very low	46.2	Very low	194 Å²	194	97.5 Å²	97.5	84%	0.843	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-103.5	125.6	169.9	-70.3	-171.3	173.9	-169.9	0	108.9
454	C	45.6	Very low	46.1	Very low	65 Å²	65	101.4 Å²	101.4	44%	0.439	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-86.2	133.6	163.1	-69.2	0	0	0	0	109.3	C436 H452	C436-C454 VanDerWaalsContact SG-SG 3.69Å; H452-C454 PolarHBondContact NE2-SG 2.99Å
455	G	39.9	Very low	46.9	Very low	72 Å²	72	101.7 Å²	101.7	74%	0.742	59%	0.587	S	S	*	*			trans	164	125.8	-179.2	0	0	0	0	0	109
456	E	36.3	Very low	47.4	Very low	199 Å²	199	102.4 Å²	102.4	93%	0.93	59%	0.587	S	S	*	*			trans	-75.6	123.5	-171.4	-60	174.9	145.9	0	0	111.4
457	S	31.3	Very low	48.5	Very low	107 Å²	107	106.5 Å²	106.5	75%	0.748	60%	0.597	S	S	*	*				-178.7	152.2	109.1	-163.1	0	0	0	0	112.3
458	S	37.2	Very low	49.2	Very low	97 Å²	97	105 Å²	105	68%	0.678	58%	0.58	S	S	*	*			trans	-5.7	136.1	164.3	53.5	0	0	0	0	121.8
459	N	41	Very low	49.8	Very low	168 Å²	168	109.2 Å²	109.2	90%	0.898	61%	0.605	S	S	*	*			trans	50.2	70	147.1	-71.3	-15.1	0	0	0	120.3
460	S	37.6	Very low	50.2	Low	112 Å²	112	112 Å²	112	78%	0.783	62%	0.624	S	S	*	*			trans	-152.2	147	134	62.6	0	0	0	0	111.5	P462	S460-P462 VanDerWaalsContact O-CD 3.27Å; S460-P462 WeakPolarHBondContact O-CD 3.47Å
461	S	39.1	Very low	50.9	Low	118 Å²	118	107.2 Å²	107.2	83%	0.825	60%	0.603	S	S	*	*			trans	-61.5	114.3	-174.2	-82.9	0	0	0	0	112.7	D463	S461-D463 PolarHBondContact O-N 2.76Å; S461-D463 VanDerWaalsContact O-N 3.14Å
462	P	50.4	Low	51.3	Low	127 Å²	127	104.5 Å²	104.5	83%	0.825	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	13.1	-171	34.6	-36.9	0	0	0	114.4	S460	S460-P462 VanDerWaalsContact O-CD 3.27Å; S460-P462 WeakPolarHBondContact O-CD 3.47Å
463	D	57.5	Low	51.7	Low	85 Å²	85	107.7 Å²	107.7	46%	0.455	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.4	-2.3	-159.1	-164.6	32.1	0	0	0	115.1	S461 K476	S461-D463 PolarHBondContact O-N 2.76Å; S461-D463 VanDerWaalsContact O-N 3.14Å; D463-K476 WeakPolarHBondContact O-CG 3.46Å; D463-K476 WeakPolarHBondContact OD1-CE 3.46Å; D463-K476 IonicContact OD1-NZ 2.69Å; D463-K476 PolarHBondContact OD1-NZ 3.36Å; D463-K476 WeakPolarHBondContact OD2-CE 3.43Å; D463-K476 IonicContact OD2-NZ 2.73Å; D463-K476 PolarHBondContact OD2-NZ 2.81Å
464	K	53.5	Low	52.6	Low	118 Å²	118	99.3 Å²	99.3	51%	0.513	59%	0.592	S	S	.	*			trans	-142.8	77.2	-174.3	-76.3	166.3	173.5	172.4	0	112.9	Y466 G474 Y475	K464-Y466 VanDerWaalsContact C-N 3.29Å; K464-Y466 PolarHBondContact O-N 2.96Å; K464-G474 WeakPolarHBondContact CD-O 3.49Å; K464-G474 WeakPolarHBondContact CE-O 3.29Å; K464-G474 WeakPolarHBondContact CG-O 3.48Å; K464-Y475 CarbonylContact C-O 3.57Å
465	P	63.8	Low	53.8	Low	79 Å²	79	98.5 Å²	98.5	51%	0.513	58%	0.579	S	S	.	*			trans	-67.9	-22.9	-175.5	-20.3	33.1	0	0	0	114.9
466	Y	61.9	Low	55	Low	90 Å²	90	100 Å²	100	35%	0.353	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.4	97	-171.8	-59.4	-75.5	0	0	0	109.8	K464 G474 Y475 K477 S478	K464-Y466 VanDerWaalsContact C-N 3.29Å; K464-Y466 PolarHBondContact O-N 2.96Å; Y466-G474 CarbonylContact O-C 3.56Å; Y466-Y475 PolarHBondContact N-O 2.61Å; Y466-Y475 VanDerWaalsContact N-O 3.13Å; Y466-Y475 WeakPolarHBondContact O-CB 3.39Å; Y466-Y475 PolarHBondContact O-N 3.24Å; Y466-K477 VanDerWaalsContact CD2-C 3.43Å; Y466-S478 VanDerWaalsContact CD2-N 3.25Å
467	K	63.7	Low	56.4	Low	147 Å²	147	95.5 Å²	95.5	64%	0.639	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	149.8	178.8	-63.5	179.8	-177.6	177.4	0	110.9	K473 L481	K467-K473 CarbonylContact C-O 3.46Å; K467-K473 WeakPolarHBondContact CA-O 3.42Å; K467-L481 WeakPolarHBondContact O-CD1 3.16Å; K467-L481 VanDerWaalsContact O-CD2 3.24Å; K467-L481 WeakPolarHBondContact O-CD2 3.33Å
468	C	61.5	Low	57.5	Low	2 Å²	2	93.2 Å²	93.2	1%	0.014	53%	0.527	C	S	.	.			trans	-91.4	122.7	172.9	-175.1	0	0	0	0	110.5	V470 C471 G472 K473 L481 H488	C468-V470 PolarHBondContact O-N 3.26Å; C468-C471 PolarHBondContact O-N 3.46Å; C468-G472 VanDerWaalsContact O-CA 3.24Å; C468-G472 WeakPolarHBondContact O-CA 3.4Å; C468-G472 PolarHBondContact O-N 3.49Å; C468-K473 PolarHBondContact N-O 3.19Å; C468-L481 HydrophobicContact CB-CD1 3.57Å; C468-H488 PolarHBondContact SG-CD2 3.37Å; C468-H488 PolarHBondContact SG-NE2 3.14Å
469	D	62.1	Low	58.5	Low	144 Å²	144	92.7 Å²	92.7	77%	0.77	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.6	-174.1	-40.1	-72.4	0	0	0	112.4	Q485	D469-Q485 PolarHBondContact OD2-NE2 3.08Å
470	V	58.9	Low	59.9	Low	106 Å²	106	86.7 Å²	86.7	64%	0.642	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-32	-179.7	-177.3	0	0	0	0	113.1	C468 H488	C468-V470 PolarHBondContact O-N 3.26Å; V470-H488 HydrophobicContact CG1-CB 4.22Å; V470-H488 HydrophobicContact CG2-CB 4.49Å
471	C	66.3	Low	61.2	Low	53 Å²	53	82 Å²	82	36%	0.358	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.9	19	-175.3	84.9	0	0	0	0	115.3	C468 K473 H484 H488	C468-C471 PolarHBondContact O-N 3.46Å; C471-K473 PolarHBondContact O-N 3.01Å; C471-H484 VanDerWaalsContact SG-CE1 3.59Å; C471-H484 PolarHBondContact SG-NE2 3.03Å; C471-H488 VanDerWaalsContact SG-CE1 3.57Å; C471-H488 PolarHBondContact SG-NE2 2.86Å
472	G	61.7	Low	62.1	Low	55 Å²	55	81 Å²	81	57%	0.567	44%	0.441	S	S	*	.			trans	66.6	-8.5	174.8	0	0	0	0	0	117.1	C468 G474	C468-G472 VanDerWaalsContact O-CA 3.24Å; C468-G472 WeakPolarHBondContact O-CA 3.4Å; C468-G472 PolarHBondContact O-N 3.49Å; G472-G474 PolarHBondContact O-N 2.86Å
473	K	67.8	Low	62.7	Low	123 Å²	123	80.5 Å²	80.5	54%	0.535	42%	0.423	S	S	.	.			trans	-63.7	124.4	-172.1	-74.9	177	-174.4	169.9	0	111.2	K467 C468 C471 Y475	K467-K473 CarbonylContact C-O 3.46Å; K467-K473 WeakPolarHBondContact CA-O 3.42Å; C468-K473 PolarHBondContact N-O 3.19Å; C471-K473 PolarHBondContact O-N 3.01Å; K473-Y475 HydrophobicContact CB-CE2 3.63Å; K473-Y475 VanDerWaalsContact O-CD2 3.23Å; K473-Y475 WeakPolarHBondContact O-CD2 3.49Å; K473-Y475 WeakPolarHBondContact O-CE2 3.12Å
474	G	67.3	Low	63.1	Low	19 Å²	19	77.6 Å²	77.6	20%	0.196	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.9	178.6	0	0	0	0	0	113.7	K464 Y466 G472	K464-G474 WeakPolarHBondContact CD-O 3.49Å; K464-G474 WeakPolarHBondContact CE-O 3.29Å; K464-G474 WeakPolarHBondContact CG-O 3.48Å; Y466-G474 CarbonylContact O-C 3.56Å; G472-G474 PolarHBondContact O-N 2.86Å
475	Y	71.8	Confident	63.4	Low	47 Å²	47	74.2 Å²	74.2	18%	0.184	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.6	-177.7	-63.7	-87.9	0	0	0	112.1	K464 Y466 K473 K477 T480 L481 H484	K464-Y475 CarbonylContact C-O 3.57Å; Y466-Y475 PolarHBondContact N-O 2.61Å; Y466-Y475 VanDerWaalsContact N-O 3.13Å; Y466-Y475 WeakPolarHBondContact O-CB 3.39Å; Y466-Y475 PolarHBondContact O-N 3.24Å; K473-Y475 HydrophobicContact CB-CE2 3.63Å; K473-Y475 VanDerWaalsContact O-CD2 3.23Å; K473-Y475 WeakPolarHBondContact O-CD2 3.49Å; K473-Y475 WeakPolarHBondContact O-CE2 3.12Å; Y475-K477 VanDerWaalsContact C-N 3.33Å; Y475-K477 PolarHBondContact O-N 3.21Å; Y475-T480 HydrophobicContact CD1-CG2 3.72Å; Y475-T480 HydrophobicContact CE1-CG2 4.28Å; Y475-L481 HydrophobicContact CD2-CB 4.06Å; Y475-L481 HydrophobicContact CD2-CD1 3.79Å; Y475-L481 HydrophobicContact CE2-CD1 4.2Å; Y475-L481 HydrophobicContact CG-CB 4.23Å; Y475-H484 HydrophobicContact CE1-CB 4.2Å; Y475-H484 HydrophobicContact CE2-CB 4.07Å; Y475-H484 AromaticContact CE2-CD2 3.24Å; Y475-H484 WeakPolarHBondContact CE2-CD2 3.47Å; Y475-H484 AromaticContact CE2-CG 3.79Å; Y475-H484 AromaticContact CZ-CD2 3.44Å; Y475-H484 VanDerWaalsContact CZ-CD2 3.44Å; Y475-H484 AromaticContact CZ-CG 3.52Å; Y475-H484 PolarHBondContact OH-CD2 3.49Å; Y475-H484 PolarHBondContact OH-ND1 3.13Å; Y475-H484 PolarHBondContact OH-NE2 2.9Å
476	K	64.5	Low	63.2	Low	105 Å²	105	72.1 Å²	72.1	46%	0.457	38%	0.377	S	S	.	.	S	Bend	trans	-70.4	-22.7	177.8	-75.7	172.7	-171.7	-110.5	0	114.1	R451 D463	R451-K476 PolarHBondContact NH1-O 2.84Å; D463-K476 WeakPolarHBondContact O-CG 3.46Å; D463-K476 WeakPolarHBondContact OD1-CE 3.46Å; D463-K476 IonicContact OD1-NZ 2.69Å; D463-K476 PolarHBondContact OD1-NZ 3.36Å; D463-K476 WeakPolarHBondContact OD2-CE 3.43Å; D463-K476 IonicContact OD2-NZ 2.73Å; D463-K476 PolarHBondContact OD2-NZ 2.81Å
477	K	65.8	Low	63	Low	103 Å²	103	70.8 Å²	70.8	45%	0.448	38%	0.381	S	S	.	.	S	Bend	trans	-139.9	138.2	-175	-55.2	-174.4	-177.8	-172.6	0	110.4	Y466 Y475 S479 T480 L481	Y466-K477 VanDerWaalsContact CD2-C 3.43Å; Y475-K477 VanDerWaalsContact C-N 3.33Å; Y475-K477 PolarHBondContact O-N 3.21Å; K477-S479 VanDerWaalsContact C-N 3.28Å; K477-S479 PolarHBondContact O-N 3.46Å; K477-T480 WeakPolarHBondContact O-CB 3.25Å; K477-T480 PolarHBondContact O-N 2.8Å; K477-L481 PolarHBondContact O-N 3Å; K477-L481 VanDerWaalsContact O-N 3.12Å
478	S	54.5	Low	62.8	Low	60 Å²	60	67.1 Å²	67.1	42%	0.42	37%	0.366	S	S	.	.	H	α-helix	trans	-56.7	-37.8	177.4	164.5	0	0	0	0	112.8	Y466 T480 L481 Q482	Y466-S478 VanDerWaalsContact CD2-N 3.25Å; S478-T480 VanDerWaalsContact C-N 3.28Å; S478-T480 PolarHBondContact O-N 2.78Å; S478-L481 WeakPolarHBondContact O-CB 3.49Å; S478-L481 PolarHBondContact O-N 2.89Å; S478-Q482 WeakPolarHBondContact O-CB 3.33Å; S478-Q482 PolarHBondContact O-N 3.2Å
479	S	58.7	Low	62.2	Low	85 Å²	85	70.2 Å²	70.2	59%	0.594	39%	0.387	S	S	*	.	H	α-helix	trans	-63.8	-31.6	176.4	52.3	0	0	0	0	113.6	K477 R483	K477-S479 VanDerWaalsContact C-N 3.28Å; K477-S479 PolarHBondContact O-N 3.46Å; S479-R483 PolarHBondContact O-N 3.34Å; S479-R483 VanDerWaalsContact O-N 3.14Å
480	T	69.6	Low	61.5	Low	42 Å²	42	72.3 Å²	72.3	26%	0.258	39%	0.392	S	S	.	.	H	α-helix	trans	-76	-38.3	175	-37.5	0	0	0	0	111.3	Y475 K477 S478 H484	Y475-T480 HydrophobicContact CD1-CG2 3.72Å; Y475-T480 HydrophobicContact CE1-CG2 4.28Å; K477-T480 WeakPolarHBondContact O-CB 3.25Å; K477-T480 PolarHBondContact O-N 2.8Å; S478-T480 VanDerWaalsContact C-N 3.28Å; S478-T480 PolarHBondContact O-N 2.78Å; T480-H484 PolarHBondContact O-N 3.22Å
481	L	65.6	Low	60.9	Low	14 Å²	14	73.5 Å²	73.5	7%	0.073	39%	0.391	C	S	.	.	H	α-helix	trans	-59.9	-50.6	170.3	170.9	62.8	0	0	0	110.4	K467 C468 Y475 K477 S478 R483 H484 Q485	K467-L481 WeakPolarHBondContact O-CD1 3.16Å; K467-L481 VanDerWaalsContact O-CD2 3.24Å; K467-L481 WeakPolarHBondContact O-CD2 3.33Å; C468-L481 HydrophobicContact CB-CD1 3.57Å; Y475-L481 HydrophobicContact CD2-CB 4.06Å; Y475-L481 HydrophobicContact CD2-CD1 3.79Å; Y475-L481 HydrophobicContact CE2-CD1 4.2Å; Y475-L481 HydrophobicContact CG-CB 4.23Å; K477-L481 PolarHBondContact O-N 3Å; K477-L481 VanDerWaalsContact O-N 3.12Å; S478-L481 WeakPolarHBondContact O-CB 3.49Å; S478-L481 PolarHBondContact O-N 2.89Å; L481-R483 VanDerWaalsContact C-N 3.34Å; L481-R483 PolarHBondContact O-N 3.46Å; L481-H484 CarbonylContact O-C 3.28Å; L481-H484 WeakPolarHBondContact O-CA 3.27Å; L481-H484 WeakPolarHBondContact O-CB 3.35Å; L481-H484 PolarHBondContact O-N 3.29Å; L481-Q485 HydrophobicContact CD1-CG 3.88Å; L481-Q485 HydrophobicContact CG-CG 4.19Å; L481-Q485 PolarHBondContact O-N 3.19Å
482	Q	58.1	Low	60.2	Low	97 Å²	97	75.3 Å²	75.3	45%	0.453	39%	0.392	S	S	.	.	H	α-helix	trans	-57.3	-45.6	-179.8	-174.2	69	62.6	0	0	111.7	S478 H484 Q485 N486	S478-Q482 WeakPolarHBondContact O-CB 3.33Å; S478-Q482 PolarHBondContact O-N 3.2Å; Q482-H484 PolarHBondContact O-N 2.63Å; Q482-Q485 PolarHBondContact O-N 3.04Å; Q482-N486 PolarHBondContact NE2-OD1 3.24Å; Q482-N486 WeakPolarHBondContact O-CB 3.41Å; Q482-N486 PolarHBondContact O-N 2.89Å; Q482-N486 PolarHBondContact O-OD1 3.48Å
483	R	62.1	Low	59.6	Low	117 Å²	117	76.9 Å²	76.9	44%	0.442	39%	0.393	S	S	.	.	H	α-helix	trans	-59.8	-32.3	175.3	-176.9	175.8	62.1	179.8	1.2	112.4	S479 L481	S479-R483 PolarHBondContact O-N 3.34Å; S479-R483 VanDerWaalsContact O-N 3.14Å; L481-R483 VanDerWaalsContact C-N 3.34Å; L481-R483 PolarHBondContact O-N 3.46Å
484	H	66.5	Low	58.8	Low	23 Å²	23	73.8 Å²	73.8	11%	0.106	38%	0.381	C	S	.	.	H	α-helix	trans	-81.5	-37.2	176	169.6	58.5	0	0	0	113.2	C471 Y475 T480 L481 Q482 N486 S487 H488	C471-H484 VanDerWaalsContact SG-CE1 3.59Å; C471-H484 PolarHBondContact SG-NE2 3.03Å; Y475-H484 HydrophobicContact CE1-CB 4.2Å; Y475-H484 HydrophobicContact CE2-CB 4.07Å; Y475-H484 AromaticContact CE2-CD2 3.24Å; Y475-H484 WeakPolarHBondContact CE2-CD2 3.47Å; Y475-H484 AromaticContact CE2-CG 3.79Å; Y475-H484 AromaticContact CZ-CD2 3.44Å; Y475-H484 VanDerWaalsContact CZ-CD2 3.44Å; Y475-H484 AromaticContact CZ-CG 3.52Å; Y475-H484 PolarHBondContact OH-CD2 3.49Å; Y475-H484 PolarHBondContact OH-ND1 3.13Å; Y475-H484 PolarHBondContact OH-NE2 2.9Å; T480-H484 PolarHBondContact O-N 3.22Å; L481-H484 CarbonylContact O-C 3.28Å; L481-H484 WeakPolarHBondContact O-CA 3.27Å; L481-H484 WeakPolarHBondContact O-CB 3.35Å; L481-H484 PolarHBondContact O-N 3.29Å; Q482-H484 PolarHBondContact O-N 2.63Å; H484-N486 VanDerWaalsContact C-N 3.25Å; H484-N486 PolarHBondContact O-N 2.7Å; H484-S487 PolarHBondContact ND1-OG 2.83Å; H484-S487 WeakPolarHBondContact O-CA 3.45Å; H484-S487 WeakPolarHBondContact O-CB 3.35Å; H484-S487 PolarHBondContact O-N 3Å; H484-S487 PolarHBondContact O-OG 3.42Å; H484-H488 AromaticContact CD2-NE2 3.96Å; H484-H488 AromaticContact CE1-CE1 3.64Å; H484-H488 AromaticContact CE1-NE2 3.16Å; H484-H488 PolarHBondContact CE1-NE2 3.38Å; H484-H488 AromaticContact NE2-CE1 3.94Å; H484-H488 AromaticContact NE2-NE2 3.11Å; H484-H488 PolarHBondContact NE2-NE2 3.19Å; H484-H488 VanDerWaalsContact NE2-NE2 3.11Å
485	Q	59.8	Low	57.7	Low	47 Å²	47	78.8 Å²	78.8	22%	0.22	40%	0.398	C	S	.	.	H	α-helix	trans	-58.8	-41.3	169.7	-77.5	167.7	-39.3	0	0	110.4	D469 L481 Q482 S487 H488 C489	D469-Q485 PolarHBondContact OD2-NE2 3.08Å; L481-Q485 HydrophobicContact CD1-CG 3.88Å; L481-Q485 HydrophobicContact CG-CG 4.19Å; L481-Q485 PolarHBondContact O-N 3.19Å; Q482-Q485 PolarHBondContact O-N 3.04Å; Q485-S487 PolarHBondContact O-N 3.45Å; Q485-S487 VanDerWaalsContact O-N 3.13Å; Q485-H488 WeakPolarHBondContact O-CB 3.3Å; Q485-H488 PolarHBondContact O-N 3.31Å; Q485-C489 PolarHBondContact O-N 2.9Å
486	N	59.6	Low	56.5	Low	35 Å²	35	76.9 Å²	76.9	19%	0.187	39%	0.392	C	S	.	.	H	α-helix	trans	-60.1	-22	171.7	-61.6	2	0	0	0	113.1	Q482 H484 H488 C489 L504	Q482-N486 PolarHBondContact NE2-OD1 3.24Å; Q482-N486 WeakPolarHBondContact O-CB 3.41Å; Q482-N486 PolarHBondContact O-N 2.89Å; Q482-N486 PolarHBondContact O-OD1 3.48Å; H484-N486 VanDerWaalsContact C-N 3.25Å; H484-N486 PolarHBondContact O-N 2.7Å; N486-H488 VanDerWaalsContact C-N 3.35Å; N486-C489 PolarHBondContact O-N 3.43Å; N486-L504 HydrophobicContact CB-CD2 4.06Å; N486-L504 WeakPolarHBondContact O-CD2 3.44Å
487	S	56.9	Low	55.7	Low	62 Å²	62	76.7 Å²	76.7	43%	0.434	40%	0.403	S	S	.	.	H	α-helix	trans	-78.6	-15.8	174.5	72.7	0	0	0	0	114.1	H484 Q485	H484-S487 PolarHBondContact ND1-OG 2.83Å; H484-S487 WeakPolarHBondContact O-CA 3.45Å; H484-S487 WeakPolarHBondContact O-CB 3.35Å; H484-S487 PolarHBondContact O-N 3Å; H484-S487 PolarHBondContact O-OG 3.42Å; Q485-S487 PolarHBondContact O-N 3.45Å; Q485-S487 VanDerWaalsContact O-N 3.13Å
488	H	59.7	Low	54.9	Low	71 Å²	71	77.4 Å²	77.4	33%	0.329	41%	0.412	S	S	.	.	H	α-helix	trans	-85.7	-19.3	168.4	-59.6	-60.5	0	0	0	112.2	C468 V470 C471 H484 Q485 N486	C468-H488 PolarHBondContact SG-CD2 3.37Å; C468-H488 PolarHBondContact SG-NE2 3.14Å; V470-H488 HydrophobicContact CG1-CB 4.22Å; V470-H488 HydrophobicContact CG2-CB 4.49Å; C471-H488 VanDerWaalsContact SG-CE1 3.57Å; C471-H488 PolarHBondContact SG-NE2 2.86Å; H484-H488 AromaticContact CD2-NE2 3.96Å; H484-H488 AromaticContact CE1-CE1 3.64Å; H484-H488 AromaticContact CE1-NE2 3.16Å; H484-H488 PolarHBondContact CE1-NE2 3.38Å; H484-H488 AromaticContact NE2-CE1 3.94Å; H484-H488 AromaticContact NE2-NE2 3.11Å; H484-H488 PolarHBondContact NE2-NE2 3.19Å; H484-H488 VanDerWaalsContact NE2-NE2 3.11Å; Q485-H488 WeakPolarHBondContact O-CB 3.3Å; Q485-H488 PolarHBondContact O-N 3.31Å; N486-H488 VanDerWaalsContact C-N 3.35Å
489	C	48.2	Very low	54.6	Low	67 Å²	67	77.6 Å²	77.6	45%	0.453	41%	0.412	S	S	.	.			trans	-80.8	119.8	171.4	-58.5	0	0	0	0	110.5	Q485 N486 E491	Q485-C489 PolarHBondContact O-N 2.9Å; N486-C489 PolarHBondContact O-N 3.43Å; C489-E491 PolarHBondContact O-N 2.94Å
490	Q	48.4	Very low	54.1	Low	188 Å²	188	78.4 Å²	78.4	88%	0.879	41%	0.41	S	S	*	.	S	Bend	trans	-63.8	-27	170.7	-64.9	-174.3	-5.8	0	0	111.9	K492	Q490-K492 PolarHBondContact O-N 3.24Å
491	E	46.8	Very low	52.9	Low	131 Å²	131	84.6 Å²	84.6	61%	0.612	43%	0.428	S	S	*	.	S	Bend	trans	-73.2	83.1	173.4	-82.5	-67.6	99.3	0	0	112.5	C489 P493 R502	C489-E491 PolarHBondContact O-N 2.94Å; E491-P493 WeakPolarHBondContact O-CD 3.47Å; E491-R502 IonicContact OE1-CZ 3.93Å; E491-R502 VanDerWaalsContact OE1-CZ 3.26Å; E491-R502 IonicContact OE1-NH1 2.66Å; E491-R502 PolarHBondContact OE1-NH1 3.05Å; E491-R502 IonicContact OE1-NH2 3.26Å; E491-R502 PolarHBondContact OE1-NH2 3.39Å; E491-R502 IonicContact OE2-CZ 3.38Å; E491-R502 IonicContact OE2-NH2 3.92Å; E491-R502 PolarHBondContact OE2-NH2 3.3Å
492	K	51.4	Low	52.3	Low	90 Å²	90	88.2 Å²	88.2	39%	0.391	44%	0.441	S	S	.	.			trans	-70.6	120.3	177.2	-64.9	-173.2	-175.2	171.9	0	111.3	Q490 L494 R502 L504	Q490-K492 PolarHBondContact O-N 3.24Å; K492-L494 PolarHBondContact O-N 3.31Å; K492-R502 HydrophobicContact CB-CB 3.43Å; K492-R502 VanDerWaalsContact CB-CB 3.43Å; K492-R502 HydrophobicContact CB-CG 4.49Å; K492-R502 HydrophobicContact CD-CB 4.07Å; K492-R502 VanDerWaalsContact CD-O 3.27Å; K492-R502 WeakPolarHBondContact CD-O 3.37Å; K492-R502 HydrophobicContact CG-CB 4.31Å; K492-R502 PolarHBondContact O-NE 3.27Å; K492-R502 PolarHBondContact O-NH2 3.28Å; K492-R502 VanDerWaalsContact O-NH2 3.16Å; K492-L504 HydrophobicContact CB-CD2 4.22Å; K492-L504 HydrophobicContact CD-CD2 4.37Å; K492-L504 HydrophobicContact CD-CG 4.35Å; K492-L504 HydrophobicContact CG-CD2 3.73Å; K492-L504 HydrophobicContact CG-CG 4.24Å
493	P	48.4	Very low	52.2	Low	89 Å²	89	85.2 Å²	85.2	58%	0.578	43%	0.426	S	S	*	.	S	Bend	trans	-72.4	-20.3	-166	-23.4	34.6	0	0	0	117.6	E491	E491-P493 WeakPolarHBondContact O-CD 3.47Å
494	L	50.4	Low	51.5	Low	57 Å²	57	81.5 Å²	81.5	30%	0.298	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	99.5	-172.3	-63.8	173.4	0	0	0	111	K492 R502 F503 F509	K492-L494 PolarHBondContact O-N 3.31Å; L494-R502 CarbonylContact O-C 3.59Å; L494-R502 WeakPolarHBondContact O-CA 3.32Å; L494-F503 HydrophobicContact CB-CB 4.24Å; L494-F503 PolarHBondContact N-O 2.78Å; L494-F503 PolarHBondContact O-N 3.2Å; L494-F509 HydrophobicContact CB-CB 4.25Å; L494-F509 HydrophobicContact CB-CD2 4.04Å; L494-F509 HydrophobicContact CB-CG 4.14Å; L494-F509 HydrophobicContact CD1-CB 3.92Å; L494-F509 HydrophobicContact CD1-CG 4.37Å
495	K	45.3	Very low	50.6	Low	124 Å²	124	81.2 Å²	81.2	54%	0.539	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.7	179	-169.1	-175.9	-179.3	-161.7	0	111.4	D500 R502 F509	K495-D500 WeakPolarHBondContact CE-OD1 3.28Å; K495-D500 IonicContact NZ-OD1 2.63Å; K495-D500 PolarHBondContact NZ-OD1 3.14Å; K495-R502 HydrophobicContact CB-CG 4.38Å; K495-R502 HydrophobicContact CG-CG 4.24Å; K495-F509 WeakPolarHBondContact O-CE2 3.32Å
496	C	46.9	Very low	49.9	Very low	8 Å²	8	82.8 Å²	82.8	5%	0.054	43%	0.432	C	S	.	.			trans	-82.5	122.7	168.9	-173.4	0	0	0	0	110.6	L498 D500 R501 F503 F509 H512	C496-L498 PolarHBondContact O-N 3.15Å; C496-D500 VanDerWaalsContact O-CA 3.25Å; C496-D500 WeakPolarHBondContact O-CA 3.45Å; C496-D500 PolarHBondContact O-N 2.86Å; C496-R501 WeakPolarHBondContact CB-O 3.44Å; C496-R501 PolarHBondContact N-O 2.97Å; C496-F503 HydrophobicContact CB-CE2 4.24Å; C496-F509 HydrophobicContact CB-CE2 4.29Å; C496-H512 VanDerWaalsContact CB-NE2 3.33Å; C496-H512 WeakPolarHBondContact CB-NE2 3.23Å; C496-H512 PolarHBondContact SG-NE2 3.23Å
497	S	46.6	Very low	49.2	Very low	100 Å²	100	85 Å²	85	70%	0.699	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-7.5	179	56.1	0	0	0	0	114.6
498	L	49.5	Very low	48.9	Very low	119 Å²	119	85.6 Å²	85.6	62%	0.623	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-12.9	-177.3	-61.6	177.8	0	0	0	114	C496	C496-L498 PolarHBondContact O-N 3.15Å
499	C	48.7	Very low	48.4	Very low	63 Å²	63	84.1 Å²	84.1	43%	0.426	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.2	20.1	178.9	73.8	0	0	0	0	113.9	R501 H512	C499-R501 PolarHBondContact O-N 3.12Å; C499-H512 PolarHBondContact SG-CE1 3.16Å; C499-H512 PolarHBondContact SG-NE2 3.08Å
500	D	47.5	Very low	48.7	Very low	103 Å²	103	85.7 Å²	85.7	55%	0.551	45%	0.446	S	S	*	.			trans	53.6	-1.9	-179.6	-68.5	-51.9	0	0	0	118.5	K495 C496 R502	K495-D500 WeakPolarHBondContact CE-OD1 3.28Å; K495-D500 IonicContact NZ-OD1 2.63Å; K495-D500 PolarHBondContact NZ-OD1 3.14Å; C496-D500 VanDerWaalsContact O-CA 3.25Å; C496-D500 WeakPolarHBondContact O-CA 3.45Å; C496-D500 PolarHBondContact O-N 2.86Å; D500-R502 PolarHBondContact O-N 3.29Å
501	R	45.4	Very low	48.9	Very low	171 Å²	171	81.8 Å²	81.8	65%	0.645	43%	0.428	S	S	*	.			trans	-61.7	131.3	179.2	-65.9	179.9	92.4	126.8	3.7	110.5	C496 C499 F503	C496-R501 WeakPolarHBondContact CB-O 3.44Å; C496-R501 PolarHBondContact N-O 2.97Å; C499-R501 PolarHBondContact O-N 3.12Å; R501-F503 HydrophobicContact CB-CE2 3.62Å; R501-F503 HydrophobicContact CB-CZ 3.76Å; R501-F503 WeakPolarHBondContact O-CD2 3.49Å; R501-F503 WeakPolarHBondContact O-CE2 3.44Å
502	R	51	Low	49.3	Very low	91 Å²	91	77.7 Å²	77.7	34%	0.343	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.9	178.5	-52.1	170.5	69.8	171.3	10.3	111.4	E491 K492 L494 K495 D500	E491-R502 IonicContact OE1-CZ 3.93Å; E491-R502 VanDerWaalsContact OE1-CZ 3.26Å; E491-R502 IonicContact OE1-NH1 2.66Å; E491-R502 PolarHBondContact OE1-NH1 3.05Å; E491-R502 IonicContact OE1-NH2 3.26Å; E491-R502 PolarHBondContact OE1-NH2 3.39Å; E491-R502 IonicContact OE2-CZ 3.38Å; E491-R502 IonicContact OE2-NH2 3.92Å; E491-R502 PolarHBondContact OE2-NH2 3.3Å; K492-R502 HydrophobicContact CB-CB 3.43Å; K492-R502 VanDerWaalsContact CB-CB 3.43Å; K492-R502 HydrophobicContact CB-CG 4.49Å; K492-R502 HydrophobicContact CD-CB 4.07Å; K492-R502 VanDerWaalsContact CD-O 3.27Å; K492-R502 WeakPolarHBondContact CD-O 3.37Å; K492-R502 HydrophobicContact CG-CB 4.31Å; K492-R502 PolarHBondContact O-NE 3.27Å; K492-R502 PolarHBondContact O-NH2 3.28Å; K492-R502 VanDerWaalsContact O-NH2 3.16Å; L494-R502 CarbonylContact O-C 3.59Å; L494-R502 WeakPolarHBondContact O-CA 3.32Å; K495-R502 HydrophobicContact CB-CG 4.38Å; K495-R502 HydrophobicContact CG-CG 4.24Å; D500-R502 PolarHBondContact O-N 3.29Å
503	F	56.5	Low	49.2	Very low	33 Å²	33	81.2 Å²	81.2	15%	0.145	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	155	-172.1	-64	-88.1	0	0	0	112.7	L494 C496 R501 E508 F509 H512	L494-F503 HydrophobicContact CB-CB 4.24Å; L494-F503 PolarHBondContact N-O 2.78Å; L494-F503 PolarHBondContact O-N 3.2Å; C496-F503 HydrophobicContact CB-CE2 4.24Å; R501-F503 HydrophobicContact CB-CE2 3.62Å; R501-F503 HydrophobicContact CB-CZ 3.76Å; R501-F503 WeakPolarHBondContact O-CD2 3.49Å; R501-F503 WeakPolarHBondContact O-CE2 3.44Å; F503-E508 HydrophobicContact CD1-CB 4.05Å; F503-F509 HydrophobicContact CB-CB 4.18Å; F503-F509 AromaticContact CD2-CD2 3.95Å; F503-F509 HydrophobicContact CD2-CD2 3.95Å; F503-F509 HydrophobicContact CG-CB 4.43Å; F503-H512 HydrophobicContact CD1-CB 4.41Å; F503-H512 HydrophobicContact CE1-CB 3.75Å; F503-H512 AromaticContact CE1-CG 3.79Å; F503-H512 HydrophobicContact CE2-CB 4.03Å; F503-H512 AromaticContact CE2-CD2 3.08Å; F503-H512 WeakPolarHBondContact CE2-CD2 3.37Å; F503-H512 AromaticContact CE2-CG 3.45Å; F503-H512 VanDerWaalsContact CE2-CG 3.45Å; F503-H512 AromaticContact CE2-NE2 3.56Å; F503-H512 HydrophobicContact CZ-CB 3.56Å; F503-H512 AromaticContact CZ-CD2 3.25Å; F503-H512 WeakPolarHBondContact CZ-CD2 3.47Å; F503-H512 AromaticContact CZ-CE1 3.8Å; F503-H512 AromaticContact CZ-CG 3.07Å; F503-H512 AromaticContact CZ-ND1 3.46Å; F503-H512 WeakPolarHBondContact CZ-ND1 3.18Å; F503-H512 AromaticContact CZ-NE2 3.67Å
504	L	48.8	Very low	49.1	Very low	40 Å²	40	80.4 Å²	80.4	21%	0.209	42%	0.415	C	S	.	.	S	Bend	trans	-99.5	-22.9	-176.6	-68.8	176.6	0	0	0	113.2	N486 K492 E508	N486-L504 HydrophobicContact CB-CD2 4.06Å; N486-L504 WeakPolarHBondContact O-CD2 3.44Å; K492-L504 HydrophobicContact CB-CD2 4.22Å; K492-L504 HydrophobicContact CD-CD2 4.37Å; K492-L504 HydrophobicContact CD-CG 4.35Å; K492-L504 HydrophobicContact CG-CD2 3.73Å; K492-L504 HydrophobicContact CG-CG 4.24Å; L504-E508 PolarHBondContact N-OE2 3.31Å
505	S	46.9	Very low	48.6	Very low	17 Å²	17	83.8 Å²	83.8	12%	0.119	43%	0.433	C	S	.	.			trans	-124.7	144.1	177	-169.2	0	0	0	0	112.6	S507 E508 F509	S505-S507 PolarHBondContact O-N 2.82Å; S505-S507 PolarHBondContact OG-N 2.87Å; S505-E508 VanDerWaalsContact CB-CD 3.42Å; S505-E508 PolarHBondContact N-OE2 3.29Å; S505-E508 PolarHBondContact O-N 2.77Å; S505-F509 PolarHBondContact O-N 2.92Å
506	S	44.2	Very low	48.4	Very low	79 Å²	79	83.7 Å²	83.7	55%	0.552	45%	0.445	S	S	*	.	H	α-helix	trans	-62	-30.7	171.1	53.8	0	0	0	0	112.6	F509 V510	S506-F509 PolarHBondContact O-N 3.37Å; S506-V510 WeakPolarHBondContact O-CB 3.36Å; S506-V510 VanDerWaalsContact O-CG2 3.26Å; S506-V510 WeakPolarHBondContact O-CG2 3.27Å; S506-V510 PolarHBondContact O-N 3.19Å
507	S	44.9	Very low	48.3	Very low	82 Å²	82	87.5 Å²	87.5	57%	0.573	47%	0.472	S	S	*	.	H	α-helix	trans	-67.2	-40.8	174.1	-55.5	0	0	0	0	112.1	S505 Q511	S505-S507 PolarHBondContact O-N 2.82Å; S505-S507 PolarHBondContact OG-N 2.87Å; S507-Q511 VanDerWaalsContact O-CB 3.23Å; S507-Q511 WeakPolarHBondContact O-CB 3.48Å; S507-Q511 PolarHBondContact O-N 3.12Å
508	E	50.8	Low	48.4	Very low	74 Å²	74	94.2 Å²	94.2	35%	0.346	48%	0.482	S	S	.	.	H	α-helix	trans	-67.4	-41.3	175.4	-66.8	155.8	-166.4	0	0	111	F503 L504 S505 Q511 H512	F503-E508 HydrophobicContact CD1-CB 4.05Å; L504-E508 PolarHBondContact N-OE2 3.31Å; S505-E508 VanDerWaalsContact CB-CD 3.42Å; S505-E508 PolarHBondContact N-OE2 3.29Å; S505-E508 PolarHBondContact O-N 2.77Å; E508-Q511 CarbonylContact O-C 3.55Å; E508-Q511 PolarHBondContact O-N 3.32Å; E508-H512 VanDerWaalsContact O-CB 3.22Å; E508-H512 WeakPolarHBondContact O-CB 3.42Å; E508-H512 PolarHBondContact O-N 3.37Å
509	F	50.4	Low	48.4	Very low	40 Å²	40	94.3 Å²	94.3	18%	0.175	48%	0.479	C	S	.	.	H	α-helix	trans	-63.1	-44.6	175.8	-179.8	-106.3	0	0	0	112.3	L494 K495 C496 F503 S505 S506 H512 R513	L494-F509 HydrophobicContact CB-CB 4.25Å; L494-F509 HydrophobicContact CB-CD2 4.04Å; L494-F509 HydrophobicContact CB-CG 4.14Å; L494-F509 HydrophobicContact CD1-CB 3.92Å; L494-F509 HydrophobicContact CD1-CG 4.37Å; K495-F509 WeakPolarHBondContact O-CE2 3.32Å; C496-F509 HydrophobicContact CB-CE2 4.29Å; F503-F509 HydrophobicContact CB-CB 4.18Å; F503-F509 AromaticContact CD2-CD2 3.95Å; F503-F509 HydrophobicContact CD2-CD2 3.95Å; F503-F509 HydrophobicContact CG-CB 4.43Å; S505-F509 PolarHBondContact O-N 2.92Å; S506-F509 PolarHBondContact O-N 3.37Å; F509-H512 PolarHBondContact O-N 3.44Å; F509-H512 VanDerWaalsContact O-N 3.17Å; F509-R513 PolarHBondContact O-N 3.09Å
510	V	54.1	Low	48.8	Very low	101 Å²	101	96.9 Å²	96.9	61%	0.612	48%	0.484	S	S	*	.	H	α-helix	trans	-65.7	-38.6	174.8	168.9	0	0	0	0	111.3	S506 H512 R513	S506-V510 WeakPolarHBondContact O-CB 3.36Å; S506-V510 VanDerWaalsContact O-CG2 3.26Å; S506-V510 WeakPolarHBondContact O-CG2 3.27Å; S506-V510 PolarHBondContact O-N 3.19Å; V510-H512 PolarHBondContact O-N 3.26Å; V510-R513 PolarHBondContact O-N 3.32Å
511	Q	53.1	Low	49.2	Very low	106 Å²	106	96.5 Å²	96.5	50%	0.495	49%	0.486	S	S	.	.	H	α-helix	trans	-68.8	-21.1	173.7	-174.4	176.4	2.2	0	0	113.2	S507 E508 Y533	S507-Q511 VanDerWaalsContact O-CB 3.23Å; S507-Q511 WeakPolarHBondContact O-CB 3.48Å; S507-Q511 PolarHBondContact O-N 3.12Å; E508-Q511 CarbonylContact O-C 3.55Å; E508-Q511 PolarHBondContact O-N 3.32Å; Q511-Y533 PolarHBondContact NE2-OH 3.24Å; Q511-Y533 VanDerWaalsContact NE2-OH 3.09Å
512	H	54.4	Low	49.9	Very low	45 Å²	45	91 Å²	91	21%	0.208	47%	0.47	C	S	.	.	H	α-helix	trans	-89.3	-21.5	177	172.1	64.3	0	0	0	113.8	C496 C499 F503 E508 F509 V510 C514	C496-H512 VanDerWaalsContact CB-NE2 3.33Å; C496-H512 WeakPolarHBondContact CB-NE2 3.23Å; C496-H512 PolarHBondContact SG-NE2 3.23Å; C499-H512 PolarHBondContact SG-CE1 3.16Å; C499-H512 PolarHBondContact SG-NE2 3.08Å; F503-H512 HydrophobicContact CD1-CB 4.41Å; F503-H512 HydrophobicContact CE1-CB 3.75Å; F503-H512 AromaticContact CE1-CG 3.79Å; F503-H512 HydrophobicContact CE2-CB 4.03Å; F503-H512 AromaticContact CE2-CD2 3.08Å; F503-H512 WeakPolarHBondContact CE2-CD2 3.37Å; F503-H512 AromaticContact CE2-CG 3.45Å; F503-H512 VanDerWaalsContact CE2-CG 3.45Å; F503-H512 AromaticContact CE2-NE2 3.56Å; F503-H512 HydrophobicContact CZ-CB 3.56Å; F503-H512 AromaticContact CZ-CD2 3.25Å; F503-H512 WeakPolarHBondContact CZ-CD2 3.47Å; F503-H512 AromaticContact CZ-CE1 3.8Å; F503-H512 AromaticContact CZ-CG 3.07Å; F503-H512 AromaticContact CZ-ND1 3.46Å; F503-H512 WeakPolarHBondContact CZ-ND1 3.18Å; F503-H512 AromaticContact CZ-NE2 3.67Å; E508-H512 VanDerWaalsContact O-CB 3.22Å; E508-H512 WeakPolarHBondContact O-CB 3.42Å; E508-H512 PolarHBondContact O-N 3.37Å; F509-H512 PolarHBondContact O-N 3.44Å; F509-H512 VanDerWaalsContact O-N 3.17Å; V510-H512 PolarHBondContact O-N 3.26Å; H512-C514 PolarHBondContact O-N 3.37Å
513	R	49.9	Very low	50.7	Low	164 Å²	164	92.1 Å²	92.1	62%	0.619	48%	0.477	S	S	*	.			trans	-64.7	86.2	171.4	-72.2	-170.4	74.4	103.6	-0.4	110.2	F509 V510	F509-R513 PolarHBondContact O-N 3.09Å; V510-R513 PolarHBondContact O-N 3.32Å
514	C	45.6	Very low	51.6	Low	71 Å²	71	90.7 Å²	90.7	48%	0.48	47%	0.471	S	S	.	.			trans	-106	128.3	164.5	-65.2	0	0	0	0	107.6	H512	H512-C514 PolarHBondContact O-N 3.37Å
515	D	39.3	Very low	52.7	Low	128 Å²	128	93.3 Å²	93.3	68%	0.684	49%	0.493	S	S	*	.			trans	-61.4	158.8	160.4	-91.9	-73.3	0	0	0	110.8	S517	D515-S517 PolarHBondContact O-N 3.18Å; D515-S517 VanDerWaalsContact O-N 3.13Å
516	P	42.6	Very low	53.8	Low	122 Å²	122	96.4 Å²	96.4	79%	0.792	51%	0.508	S	S	*	.	S	Bend	trans	-68.7	-12.6	-168.2	-22.2	34.9	0	0	0	115.8
517	S	43.3	Very low	55.2	Low	88 Å²	88	94.3 Å²	94.3	62%	0.615	49%	0.493	S	S	*	.	S	Bend	trans	-89.2	132.2	-176.8	52.5	0	0	0	0	112.6	D515 E519	D515-S517 PolarHBondContact O-N 3.18Å; D515-S517 VanDerWaalsContact O-N 3.13Å; S517-E519 VanDerWaalsContact C-N 3.25Å; S517-E519 PolarHBondContact O-N 3Å
518	R	50	Low	56.5	Low	241 Å²	241	97.6 Å²	97.6	91%	0.909	50%	0.499	S	S	*	.			trans	-72.1	57.6	-170.3	-71.5	176.9	162.1	-176.4	-2.5	115.1	K520	R518-K520 PolarHBondContact O-N 3.48Å
519	E	48.6	Very low	57.3	Low	121 Å²	121	100.4 Å²	100.4	57%	0.565	51%	0.51	S	S	*	.			trans	-87.7	93.7	175.9	-78.8	-69.1	103.3	0	0	111.4	S517 P521 R530	S517-E519 VanDerWaalsContact C-N 3.25Å; S517-E519 PolarHBondContact O-N 3Å; E519-P521 WeakPolarHBondContact O-CD 3.19Å; E519-R530 IonicContact OE1-CZ 3.02Å; E519-R530 VanDerWaalsContact OE1-CZ 3.29Å; E519-R530 IonicContact OE1-NH1 2.71Å; E519-R530 PolarHBondContact OE1-NH1 3.25Å; E519-R530 IonicContact OE1-NH2 2.84Å; E519-R530 PolarHBondContact OE1-NH2 2.98Å; E519-R530 IonicContact OE2-CZ 3.87Å; E519-R530 IonicContact OE2-NH1 2.74Å; E519-R530 IonicContact OE2-NH2 2.96Å; E519-R530 PolarHBondContact OE2-NH2 2.88Å
520	K	56.9	Low	58.2	Low	118 Å²	118	102.8 Å²	102.8	51%	0.513	52%	0.518	S	S	.	.			trans	-74.2	104.8	162.9	-72.1	-172.9	-168.2	172.3	0	107.5	R518 L522 R530 F531	R518-K520 PolarHBondContact O-N 3.48Å; K520-L522 PolarHBondContact O-N 3.01Å; K520-L522 VanDerWaalsContact O-N 3.13Å; K520-R530 HydrophobicContact CB-CB 3.58Å; K520-R530 HydrophobicContact CD-CB 4.15Å; K520-R530 WeakPolarHBondContact CD-O 3.48Å; K520-R530 PolarHBondContact O-NE 3.13Å; K520-R530 PolarHBondContact O-NH2 3.38Å; K520-F531 CarbonylContact C-O 3.57Å
521	P	56.8	Low	59	Low	94 Å²	94	99.9 Å²	99.9	61%	0.61	50%	0.497	S	S	*	.			trans	-72.5	-16.9	-159.6	-19.7	33.9	0	0	0	114.4	E519	E519-P521 WeakPolarHBondContact O-CD 3.19Å
522	L	60.6	Low	59.2	Low	57 Å²	57	99.5 Å²	99.5	30%	0.298	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	95.3	-166.5	-60	174.3	0	0	0	110.2	K520 R530 F531 Y533 S534 L537	K520-L522 PolarHBondContact O-N 3.01Å; K520-L522 VanDerWaalsContact O-N 3.13Å; L522-R530 CarbonylContact O-C 3.49Å; L522-R530 WeakPolarHBondContact O-CA 3.35Å; L522-F531 PolarHBondContact N-O 3.16Å; L522-F531 PolarHBondContact O-N 2.99Å; L522-Y533 VanDerWaalsContact CD1-C 3.48Å; L522-S534 VanDerWaalsContact CD1-N 3.27Å; L522-L537 HydrophobicContact CB-CB 4.38Å; L522-L537 HydrophobicContact CB-CD2 3.89Å
523	K	67.6	Low	59.6	Low	114 Å²	114	101.6 Å²	101.6	50%	0.496	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	143.2	171.7	-165.7	-175.7	178.4	174.1	0	109.5	E528 R530	K523-E528 IonicContact NZ-OE1 2.86Å; K523-E528 PolarHBondContact NZ-OE1 3.44Å; K523-R530 HydrophobicContact CB-CG 4.44Å; K523-R530 HydrophobicContact CG-CG 4.41Å
524	C	74.2	Confident	60	Low	3 Å²	3	96.9 Å²	96.9	2%	0.02	49%	0.493	C	S	.	.			trans	-77.9	140.6	166.6	176.5	0	0	0	0	110.4	D526 C527 K529 F531 L537 H544	C524-D526 VanDerWaalsContact C-N 3.3Å; C524-D526 PolarHBondContact SG-N 3.2Å; C524-C527 CarbonylContact C-O 3.53Å; C524-C527 VanDerWaalsContact CB-O 3.28Å; C524-C527 WeakPolarHBondContact CB-O 3.41Å; C524-K529 PolarHBondContact N-O 3.17Å; C524-F531 HydrophobicContact CB-CE2 4.34Å; C524-L537 HydrophobicContact CB-CD1 3.58Å; C524-H544 VanDerWaalsContact SG-CD2 3.56Å; C524-H544 PolarHBondContact SG-NE2 3.46Å
525	S	72.3	Confident	61.1	Low	95 Å²	95	97.3 Å²	97.3	66%	0.664	50%	0.497	S	S	*	.	S	Bend	trans	-64.8	-37.8	175.4	41.7	0	0	0	0	111.9
526	D	69.6	Low	62.8	Low	82 Å²	82	93 Å²	93	44%	0.439	47%	0.473	S	S	.	.	S	Bend	trans	-99.2	-7.8	-165.2	-21.9	-56.9	0	0	0	112	C524 H544	C524-D526 VanDerWaalsContact C-N 3.3Å; C524-D526 PolarHBondContact SG-N 3.2Å; D526-H544 HydrophobicContact CB-CB 4.23Å; D526-H544 IonicContact OD2-CD2 3.29Å; D526-H544 PolarHBondContact OD2-CD2 3.18Å; D526-H544 IonicContact OD2-CG 3.74Å
527	C	75.1	Confident	64.2	Low	34 Å²	34	88.2 Å²	88.2	23%	0.23	44%	0.441	C	S	.	.	S	Bend	trans	-158.9	161.4	163.9	80.8	0	0	0	0	111.5	C524 K529 H540 H544	C524-C527 CarbonylContact C-O 3.53Å; C524-C527 VanDerWaalsContact CB-O 3.28Å; C524-C527 WeakPolarHBondContact CB-O 3.41Å; C527-K529 PolarHBondContact O-N 2.93Å; C527-H540 PolarHBondContact SG-NE2 3.46Å; C527-H544 PolarHBondContact SG-NE2 3.06Å; C527-H544 VanDerWaalsContact SG-NE2 3.43Å
528	E	70.5	Confident	65.6	Low	152 Å²	152	87.4 Å²	87.4	71%	0.71	43%	0.43	S	S	*	.	S	Bend	trans	-73.2	6.7	-171.1	-52.1	-144.9	102.7	0	0	116.2	K523 R530	K523-E528 IonicContact NZ-OE1 2.86Å; K523-E528 PolarHBondContact NZ-OE1 3.44Å; E528-R530 PolarHBondContact O-N 2.97Å
529	K	69.4	Low	66.8	Low	132 Å²	132	80.5 Å²	80.5	57%	0.574	40%	0.404	S	S	*	.			trans	-68	122.5	-179.6	-66.4	176.2	-177.4	174.2	0	110.2	C524 C527 F531	C524-K529 PolarHBondContact N-O 3.17Å; C527-K529 PolarHBondContact O-N 2.93Å; K529-F531 HydrophobicContact CB-CE2 3.72Å; K529-F531 HydrophobicContact CB-CZ 3.81Å; K529-F531 WeakPolarHBondContact O-CD2 3.36Å; K529-F531 WeakPolarHBondContact O-CE2 3.42Å
530	R	67.8	Low	68.3	Low	91 Å²	91	75.8 Å²	75.8	34%	0.343	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.1	175.4	-56.3	177.4	66.5	174.2	6.5	110.9	E519 K520 L522 K523 E528	E519-R530 IonicContact OE1-CZ 3.02Å; E519-R530 VanDerWaalsContact OE1-CZ 3.29Å; E519-R530 IonicContact OE1-NH1 2.71Å; E519-R530 PolarHBondContact OE1-NH1 3.25Å; E519-R530 IonicContact OE1-NH2 2.84Å; E519-R530 PolarHBondContact OE1-NH2 2.98Å; E519-R530 IonicContact OE2-CZ 3.87Å; E519-R530 IonicContact OE2-NH1 2.74Å; E519-R530 IonicContact OE2-NH2 2.96Å; E519-R530 PolarHBondContact OE2-NH2 2.88Å; K520-R530 HydrophobicContact CB-CB 3.58Å; K520-R530 HydrophobicContact CD-CB 4.15Å; K520-R530 WeakPolarHBondContact CD-O 3.48Å; K520-R530 PolarHBondContact O-NE 3.13Å; K520-R530 PolarHBondContact O-NH2 3.38Å; L522-R530 CarbonylContact O-C 3.49Å; L522-R530 WeakPolarHBondContact O-CA 3.35Å; K523-R530 HydrophobicContact CB-CG 4.44Å; K523-R530 HydrophobicContact CG-CG 4.41Å; E528-R530 PolarHBondContact O-N 2.97Å
531	F	71.2	Confident	69.2	Low	39 Å²	39	75.1 Å²	75.1	17%	0.171	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151.5	-176.1	-63.8	-84.2	0	0	0	112.4	K520 L522 C524 K529 D536 L537 H540	K520-F531 CarbonylContact C-O 3.57Å; L522-F531 PolarHBondContact N-O 3.16Å; L522-F531 PolarHBondContact O-N 2.99Å; C524-F531 HydrophobicContact CB-CE2 4.34Å; K529-F531 HydrophobicContact CB-CE2 3.72Å; K529-F531 HydrophobicContact CB-CZ 3.81Å; K529-F531 WeakPolarHBondContact O-CD2 3.36Å; K529-F531 WeakPolarHBondContact O-CE2 3.42Å; F531-D536 HydrophobicContact CB-CB 4.19Å; F531-D536 HydrophobicContact CD1-CB 3.76Å; F531-D536 HydrophobicContact CG-CB 4.27Å; F531-L537 HydrophobicContact CB-CB 4.15Å; F531-L537 HydrophobicContact CD2-CB 4.1Å; F531-L537 HydrophobicContact CD2-CD1 3.88Å; F531-L537 HydrophobicContact CE2-CD1 4.26Å; F531-L537 HydrophobicContact CG-CB 4.25Å; F531-H540 HydrophobicContact CE1-CB 3.83Å; F531-H540 HydrophobicContact CE2-CB 3.83Å; F531-H540 AromaticContact CE2-CD2 3.27Å; F531-H540 WeakPolarHBondContact CE2-CD2 3.44Å; F531-H540 AromaticContact CE2-CG 3.55Å; F531-H540 HydrophobicContact CZ-CB 3.4Å; F531-H540 VanDerWaalsContact CZ-CB 3.4Å; F531-H540 AromaticContact CZ-CD2 3.37Å; F531-H540 WeakPolarHBondContact CZ-CD2 3.34Å; F531-H540 AromaticContact CZ-CG 3.16Å; F531-H540 AromaticContact CZ-ND1 3.73Å
532	K	57.6	Low	70.2	Confident	99 Å²	99	73.8 Å²	73.8	43%	0.43	36%	0.359	S	S	.	.	S	Bend	trans	-81.5	-31.5	178	-171.6	174.1	177.2	174.1	0	112.4
533	Y	62.3	Low	70.9	Confident	88 Å²	88	75.1 Å²	75.1	35%	0.345	37%	0.369	S	S	.	.	S	Bend	trans	-128.9	148.5	-175.5	-51.4	-58.3	0	0	0	112.1	Q511 L522 S535 D536 L537	Q511-Y533 PolarHBondContact NE2-OH 3.24Å; Q511-Y533 VanDerWaalsContact NE2-OH 3.09Å; L522-Y533 VanDerWaalsContact CD1-C 3.48Å; Y533-S535 VanDerWaalsContact C-N 3.27Å; Y533-S535 PolarHBondContact O-N 3.24Å; Y533-D536 VanDerWaalsContact CD2-OD2 3.32Å; Y533-D536 WeakPolarHBondContact CD2-OD2 3.29Å; Y533-D536 WeakPolarHBondContact O-CB 3.49Å; Y533-D536 PolarHBondContact O-N 2.84Å; Y533-L537 PolarHBondContact O-N 3.34Å; Y533-L537 VanDerWaalsContact O-N 3.11Å
534	S	59	Low	71.2	Confident	66 Å²	66	73.3 Å²	73.3	46%	0.462	36%	0.362	S	S	.	.	H	α-helix	trans	-66.1	-29.9	179.2	178.8	0	0	0	0	112.7	L522 D536 L537 N538	L522-S534 VanDerWaalsContact CD1-N 3.27Å; S534-D536 VanDerWaalsContact C-N 3.31Å; S534-D536 PolarHBondContact O-N 3.48Å; S534-L537 PolarHBondContact O-N 3.3Å; S534-N538 WeakPolarHBondContact O-CB 3.17Å; S534-N538 PolarHBondContact O-N 2.9Å; S534-N538 PolarHBondContact O-ND2 3.15Å; S534-N538 PolarHBondContact OG-ND2 3.1Å
535	S	68.5	Low	70.9	Confident	80 Å²	80	76.5 Å²	76.5	56%	0.559	38%	0.382	S	S	*	.	H	α-helix	trans	-59.5	-40.2	169.4	47.4	0	0	0	0	112.4	Y533 R539	Y533-S535 VanDerWaalsContact C-N 3.27Å; Y533-S535 PolarHBondContact O-N 3.24Å; S535-R539 WeakPolarHBondContact O-CB 3.47Å; S535-R539 PolarHBondContact O-N 2.93Å
536	D	73.9	Confident	70.8	Confident	36 Å²	36	73.7 Å²	73.7	19%	0.193	37%	0.368	C	S	.	.	H	α-helix	trans	-73.4	-42.3	178.9	-66.6	-38.7	0	0	0	112.1	F531 Y533 S534 R539 H540	F531-D536 HydrophobicContact CB-CB 4.19Å; F531-D536 HydrophobicContact CD1-CB 3.76Å; F531-D536 HydrophobicContact CG-CB 4.27Å; Y533-D536 VanDerWaalsContact CD2-OD2 3.32Å; Y533-D536 WeakPolarHBondContact CD2-OD2 3.29Å; Y533-D536 WeakPolarHBondContact O-CB 3.49Å; Y533-D536 PolarHBondContact O-N 2.84Å; S534-D536 VanDerWaalsContact C-N 3.31Å; S534-D536 PolarHBondContact O-N 3.48Å; D536-R539 PolarHBondContact O-N 3.28Å; D536-R539 IonicContact OD1-CZ 2.84Å; D536-R539 IonicContact OD1-NE 3.51Å; D536-R539 IonicContact OD1-NH2 2.65Å; D536-R539 PolarHBondContact OD1-NH2 3.25Å; D536-H540 VanDerWaalsContact O-CB 3.24Å; D536-H540 WeakPolarHBondContact O-CB 3.12Å; D536-H540 PolarHBondContact O-N 2.86Å
537	L	73.4	Confident	70.9	Confident	23 Å²	23	74.7 Å²	74.7	12%	0.12	37%	0.37	C	S	.	.	H	α-helix	trans	-60.2	-47.8	174	172.6	57.9	0	0	0	110.8	L522 C524 F531 Y533 S534 R539 H540 R541	L522-L537 HydrophobicContact CB-CB 4.38Å; L522-L537 HydrophobicContact CB-CD2 3.89Å; C524-L537 HydrophobicContact CB-CD1 3.58Å; F531-L537 HydrophobicContact CB-CB 4.15Å; F531-L537 HydrophobicContact CD2-CB 4.1Å; F531-L537 HydrophobicContact CD2-CD1 3.88Å; F531-L537 HydrophobicContact CE2-CD1 4.26Å; F531-L537 HydrophobicContact CG-CB 4.25Å; Y533-L537 PolarHBondContact O-N 3.34Å; Y533-L537 VanDerWaalsContact O-N 3.11Å; S534-L537 PolarHBondContact O-N 3.3Å; L537-R539 VanDerWaalsContact C-N 3.35Å; L537-R539 PolarHBondContact O-N 2.81Å; L537-H540 CarbonylContact O-C 3.4Å; L537-H540 WeakPolarHBondContact O-CB 3.33Å; L537-H540 PolarHBondContact O-N 2.88Å; L537-H540 VanDerWaalsContact O-N 3.12Å; L537-R541 HydrophobicContact CD1-CG 4.1Å; L537-R541 WeakPolarHBondContact O-CG 3.44Å; L537-R541 PolarHBondContact O-N 3.05Å
538	N	71.9	Confident	70.9	Confident	70 Å²	70	78.8 Å²	78.8	37%	0.374	38%	0.384	S	S	.	.	H	α-helix	trans	-67.3	-34.5	179.2	-75	-48.2	0	0	0	112.7	S534 H540	S534-N538 WeakPolarHBondContact O-CB 3.17Å; S534-N538 PolarHBondContact O-N 2.9Å; S534-N538 PolarHBondContact O-ND2 3.15Å; S534-N538 PolarHBondContact OG-ND2 3.1Å; N538-H540 VanDerWaalsContact C-N 3.32Å
539	R	75.9	Confident	71	Confident	96 Å²	96	74.8 Å²	74.8	36%	0.362	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-37.9	170.2	175.3	164.9	66.9	157.5	-9.1	111.9	S535 D536 L537 Q561	S535-R539 WeakPolarHBondContact O-CB 3.47Å; S535-R539 PolarHBondContact O-N 2.93Å; D536-R539 PolarHBondContact O-N 3.28Å; D536-R539 IonicContact OD1-CZ 2.84Å; D536-R539 IonicContact OD1-NE 3.51Å; D536-R539 IonicContact OD1-NH2 2.65Å; D536-R539 PolarHBondContact OD1-NH2 3.25Å; L537-R539 VanDerWaalsContact C-N 3.35Å; L537-R539 PolarHBondContact O-N 2.81Å; R539-Q561 HydrophobicContact CG-CG 4.24Å
540	H	79.5	Confident	71.4	Confident	22 Å²	22	70.5 Å²	70.5	10%	0.102	35%	0.353	C	S	.	.	H	α-helix	trans	-73	-36.9	177.3	173.1	63.8	0	0	0	113.1	C527 F531 D536 L537 N538 R542 V543 H544	C527-H540 PolarHBondContact SG-NE2 3.46Å; F531-H540 HydrophobicContact CE1-CB 3.83Å; F531-H540 HydrophobicContact CE2-CB 3.83Å; F531-H540 AromaticContact CE2-CD2 3.27Å; F531-H540 WeakPolarHBondContact CE2-CD2 3.44Å; F531-H540 AromaticContact CE2-CG 3.55Å; F531-H540 HydrophobicContact CZ-CB 3.4Å; F531-H540 VanDerWaalsContact CZ-CB 3.4Å; F531-H540 AromaticContact CZ-CD2 3.37Å; F531-H540 WeakPolarHBondContact CZ-CD2 3.34Å; F531-H540 AromaticContact CZ-CG 3.16Å; F531-H540 AromaticContact CZ-ND1 3.73Å; D536-H540 VanDerWaalsContact O-CB 3.24Å; D536-H540 WeakPolarHBondContact O-CB 3.12Å; D536-H540 PolarHBondContact O-N 2.86Å; L537-H540 CarbonylContact O-C 3.4Å; L537-H540 WeakPolarHBondContact O-CB 3.33Å; L537-H540 PolarHBondContact O-N 2.88Å; L537-H540 VanDerWaalsContact O-N 3.12Å; N538-H540 VanDerWaalsContact C-N 3.32Å; H540-R542 PolarHBondContact O-N 3.44Å; H540-V543 WeakPolarHBondContact O-CA 3.28Å; H540-V543 WeakPolarHBondContact O-CB 3.38Å; H540-V543 VanDerWaalsContact O-CG2 3.26Å; H540-V543 WeakPolarHBondContact O-CG2 3.37Å; H540-V543 PolarHBondContact O-N 2.86Å; H540-H544 AromaticContact CE1-NE2 3.63Å; H540-H544 AromaticContact NE2-CD2 3.93Å; H540-H544 AromaticContact NE2-NE2 3.15Å; H540-H544 PolarHBondContact NE2-NE2 2.87Å; H540-H544 VanDerWaalsContact NE2-NE2 3.15Å
541	R	74.9	Confident	71.7	Confident	104 Å²	104	73 Å²	73	39%	0.392	37%	0.366	S	S	.	.	H	α-helix	trans	-58.2	-30.5	175.9	-74.1	177.9	70.4	-136.8	-1.6	113	L537 V543 H544 T545	L537-R541 HydrophobicContact CD1-CG 4.1Å; L537-R541 WeakPolarHBondContact O-CG 3.44Å; L537-R541 PolarHBondContact O-N 3.05Å; R541-V543 PolarHBondContact O-N 3.22Å; R541-H544 PolarHBondContact O-N 3.08Å; R541-T545 PolarHBondContact O-N 2.87Å; R541-T545 PolarHBondContact O-OG1 2.67Å
542	R	78.1	Confident	72	Confident	67 Å²	67	71.2 Å²	71.2	25%	0.253	36%	0.358	S	S	.	.	H	α-helix	trans	-64.7	-14.9	171.2	-59.4	173.2	-170.4	-176.1	-2	114.1	H540 G546 E547 F550 K560	H540-R542 PolarHBondContact O-N 3.44Å; R542-G546 PolarHBondContact O-N 3.36Å; R542-E547 HydrophobicContact CG-CB 4.36Å; R542-F550 VanDerWaalsContact NH1-CE2 3.29Å; R542-K560 PolarHBondContact NH1-O 2.69Å; R542-K560 WeakPolarHBondContact O-CD 3.48Å; R542-K560 WeakPolarHBondContact O-CE 3.38Å; R542-K560 PolarHBondContact O-NZ 3.27Å
543	V	75.3	Confident	72.8	Confident	84 Å²	84	73.1 Å²	73.1	51%	0.509	37%	0.373	S	S	.	.	H	α-helix	trans	-65.1	-50	168.6	-177.6	0	0	0	0	108.6	H540 R541 K560	H540-V543 WeakPolarHBondContact O-CA 3.28Å; H540-V543 WeakPolarHBondContact O-CB 3.38Å; H540-V543 VanDerWaalsContact O-CG2 3.26Å; H540-V543 WeakPolarHBondContact O-CG2 3.37Å; H540-V543 PolarHBondContact O-N 2.86Å; R541-V543 PolarHBondContact O-N 3.22Å; V543-K560 PolarHBondContact O-NZ 3Å
544	H	75.4	Confident	73.1	Confident	77 Å²	77	75.9 Å²	75.9	36%	0.356	39%	0.388	S	S	.	.	H	α-helix	trans	-72.6	-48.9	-179.8	-54.6	-53.8	0	0	0	113.4	C524 D526 C527 H540 R541 G546	C524-H544 VanDerWaalsContact SG-CD2 3.56Å; C524-H544 PolarHBondContact SG-NE2 3.46Å; D526-H544 HydrophobicContact CB-CB 4.23Å; D526-H544 IonicContact OD2-CD2 3.29Å; D526-H544 PolarHBondContact OD2-CD2 3.18Å; D526-H544 IonicContact OD2-CG 3.74Å; C527-H544 PolarHBondContact SG-NE2 3.06Å; C527-H544 VanDerWaalsContact SG-NE2 3.43Å; H540-H544 AromaticContact CE1-NE2 3.63Å; H540-H544 AromaticContact NE2-CD2 3.93Å; H540-H544 AromaticContact NE2-NE2 3.15Å; H540-H544 PolarHBondContact NE2-NE2 2.87Å; H540-H544 VanDerWaalsContact NE2-NE2 3.15Å; R541-H544 PolarHBondContact O-N 3.08Å; H544-G546 PolarHBondContact O-N 3.06Å; H544-G546 VanDerWaalsContact O-N 3.15Å
545	T	67.8	Low	73.8	Confident	69 Å²	69	74.9 Å²	74.9	42%	0.423	38%	0.381	S	S	.	.	S	Bend	trans	-73.6	-4.4	-178.7	66.4	0	0	0	0	113.9	R541 E547	R541-T545 PolarHBondContact O-N 2.87Å; R541-T545 PolarHBondContact O-OG1 2.67Å; T545-E547 PolarHBondContact O-N 2.94Å; T545-E547 VanDerWaalsContact OG1-CD 3.27Å; T545-E547 WeakPolarHBondContact OG1-CG 3.44Å; T545-E547 PolarHBondContact OG1-OE1 3.08Å; T545-E547 VanDerWaalsContact OG1-OE1 3.14Å
546	G	69.8	Low	73.8	Confident	36 Å²	36	75.8 Å²	75.8	37%	0.371	39%	0.387	S	S	.	.			trans	70.4	-14.3	-178.3	0	0	0	0	0	115.3	R542 H544 K548	R542-G546 PolarHBondContact O-N 3.36Å; H544-G546 PolarHBondContact O-N 3.06Å; H544-G546 VanDerWaalsContact O-N 3.15Å; G546-K548 PolarHBondContact O-N 3.31Å
547	E	71.8	Confident	73.7	Confident	103 Å²	103	80 Å²	80	48%	0.481	40%	0.404	S	S	.	.			trans	-49.3	131.9	-171.5	-76.7	169.2	-144.5	0	0	113.8	R542 T545 P549 K560	R542-E547 HydrophobicContact CG-CB 4.36Å; T545-E547 PolarHBondContact O-N 2.94Å; T545-E547 VanDerWaalsContact OG1-CD 3.27Å; T545-E547 WeakPolarHBondContact OG1-CG 3.44Å; T545-E547 PolarHBondContact OG1-OE1 3.08Å; T545-E547 VanDerWaalsContact OG1-OE1 3.14Å; E547-P549 HydrophobicContact CB-CG 4.46Å; E547-P549 WeakPolarHBondContact O-CD 3.22Å; E547-K560 WeakPolarHBondContact O-CG 3.13Å
548	K	74.6	Confident	73.8	Confident	120 Å²	120	80 Å²	80	52%	0.522	41%	0.409	S	S	.	.			trans	-121.9	73.8	177.1	-75.2	164	167.3	-175.5	0	109.9	G546 F550 G558 F559 K560	G546-K548 PolarHBondContact O-N 3.31Å; K548-F550 PolarHBondContact O-N 3.02Å; K548-G558 VanDerWaalsContact CD-O 3.22Å; K548-G558 WeakPolarHBondContact CD-O 3.41Å; K548-G558 WeakPolarHBondContact CE-O 3.22Å; K548-G558 WeakPolarHBondContact CG-O 3.42Å; K548-F559 CarbonylContact C-O 3.52Å; K548-F559 WeakPolarHBondContact CA-O 3.49Å; K548-K560 HydrophobicContact CG-CG 4.01Å
549	P	73	Confident	74.1	Confident	69 Å²	69	78.8 Å²	78.8	45%	0.448	40%	0.401	S	S	.	.			trans	-69	-16	-172.7	-19.7	34.3	0	0	0	114	E547	E547-P549 HydrophobicContact CB-CG 4.46Å; E547-P549 WeakPolarHBondContact O-CD 3.22Å
550	F	78.3	Confident	73.9	Confident	42 Å²	42	77.2 Å²	77.2	18%	0.184	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	94.3	-176.1	-55.7	-67.2	0	0	0	109.2	R542 K548 F559 R562 L565	R542-F550 VanDerWaalsContact NH1-CE2 3.29Å; K548-F550 PolarHBondContact O-N 3.02Å; F550-F559 HydrophobicContact CB-CB 4.38Å; F550-F559 PolarHBondContact N-O 3.04Å; F550-F559 PolarHBondContact O-N 2.83Å; F550-R562 HydrophobicContact CD1-CB 4.21Å; F550-R562 HydrophobicContact CD2-CB 4.4Å; F550-R562 VanDerWaalsContact CD2-N 3.34Å; F550-R562 HydrophobicContact CE1-CB 3.98Å; F550-R562 HydrophobicContact CE2-CB 4.15Å; F550-R562 VanDerWaalsContact CE2-N 3.32Å; F550-R562 HydrophobicContact CG-CB 4.41Å; F550-R562 HydrophobicContact CZ-CB 3.94Å; F550-L565 HydrophobicContact CB-CB 4Å; F550-L565 HydrophobicContact CB-CD2 3.75Å; F550-L565 HydrophobicContact CB-CG 4.46Å
551	K	74.4	Confident	73.6	Confident	144 Å²	144	78.6 Å²	78.6	63%	0.626	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	149.4	175.1	-62	-178.1	-177.6	179.7	0	110.2	K557 L565	K551-K557 WeakPolarHBondContact CA-O 3.27Å; K551-L565 WeakPolarHBondContact O-CD2 3.49Å
552	C	77.1	Confident	73.6	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	42%	0.415	C	S	.	.			trans	-91.3	121.4	171.7	-175.8	0	0	0	0	110.2	H554 C555 S556 K557 F559 L565 H572	C552-H554 PolarHBondContact O-N 3.32Å; C552-C555 PolarHBondContact O-N 3.22Å; C552-S556 WeakPolarHBondContact O-CA 3.46Å; C552-S556 PolarHBondContact O-N 3.2Å; C552-K557 PolarHBondContact N-O 3.37Å; C552-F559 HydrophobicContact CB-CE2 4.44Å; C552-L565 HydrophobicContact CB-CD1 3.6Å; C552-H572 PolarHBondContact SG-NE2 3.34Å
553	D	73.6	Confident	73.4	Confident	139 Å²	139	84.5 Å²	84.5	74%	0.743	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-26.3	-175.5	-49.8	-56.6	0	0	0	112.7
554	H	68.1	Low	73.5	Confident	146 Å²	146	84.8 Å²	84.8	68%	0.676	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-19.3	-179.8	-63.9	-66.2	0	0	0	115.7	C552	C552-H554 PolarHBondContact O-N 3.32Å
555	C	75.1	Confident	73.5	Confident	46 Å²	46	81.9 Å²	81.9	31%	0.311	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.4	17.4	-177.6	77.3	0	0	0	0	114.4	C552 K557 H568 H572	C552-C555 PolarHBondContact O-N 3.22Å; C555-K557 PolarHBondContact O-N 2.97Å; C555-H568 PolarHBondContact SG-NE2 2.83Å; C555-H572 VanDerWaalsContact SG-CE1 3.55Å; C555-H572 PolarHBondContact SG-NE2 3.45Å; C555-H572 VanDerWaalsContact SG-NE2 3.44Å
556	S	67.3	Low	73.7	Confident	98 Å²	98	82.2 Å²	82.2	69%	0.685	42%	0.415	S	S	*	.			trans	56.1	4.4	176.7	-57.8	0	0	0	0	117.3	C552 G558	C552-S556 WeakPolarHBondContact O-CA 3.46Å; C552-S556 PolarHBondContact O-N 3.2Å; S556-G558 PolarHBondContact O-N 2.75Å
557	K	73	Confident	73.7	Confident	126 Å²	126	88 Å²	88	55%	0.548	43%	0.43	S	S	.	.			trans	-63.5	126.5	179	-73.9	179.3	-176.5	175.9	0	110.3	K551 C552 C555 F559	K551-K557 WeakPolarHBondContact CA-O 3.27Å; C552-K557 PolarHBondContact N-O 3.37Å; C555-K557 PolarHBondContact O-N 2.97Å; K557-F559 HydrophobicContact CB-CE2 3.8Å; K557-F559 HydrophobicContact CB-CZ 4.06Å; K557-F559 WeakPolarHBondContact O-CD2 3.46Å; K557-F559 VanDerWaalsContact O-CE2 3.26Å; K557-F559 WeakPolarHBondContact O-CE2 3.5Å
558	G	74.9	Confident	73.8	Confident	22 Å²	22	84.2 Å²	84.2	23%	0.227	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.7	-178.1	0	0	0	0	0	113.8	K548 S556	K548-G558 VanDerWaalsContact CD-O 3.22Å; K548-G558 WeakPolarHBondContact CD-O 3.41Å; K548-G558 WeakPolarHBondContact CE-O 3.22Å; K548-G558 WeakPolarHBondContact CG-O 3.42Å; S556-G558 PolarHBondContact O-N 2.75Å
559	F	78.1	Confident	73.4	Confident	44 Å²	44	81.5 Å²	81.5	19%	0.193	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	145	-177.9	-60.2	-91.2	0	0	0	111.9	K548 F550 C552 K557 Q561 H564 L565 H568	K548-F559 CarbonylContact C-O 3.52Å; K548-F559 WeakPolarHBondContact CA-O 3.49Å; F550-F559 HydrophobicContact CB-CB 4.38Å; F550-F559 PolarHBondContact N-O 3.04Å; F550-F559 PolarHBondContact O-N 2.83Å; C552-F559 HydrophobicContact CB-CE2 4.44Å; K557-F559 HydrophobicContact CB-CE2 3.8Å; K557-F559 HydrophobicContact CB-CZ 4.06Å; K557-F559 WeakPolarHBondContact O-CD2 3.46Å; K557-F559 VanDerWaalsContact O-CE2 3.26Å; K557-F559 WeakPolarHBondContact O-CE2 3.5Å; F559-Q561 VanDerWaalsContact C-N 3.35Å; F559-H564 HydrophobicContact CB-CB 4.41Å; F559-H564 HydrophobicContact CD1-CB 3.88Å; F559-H564 HydrophobicContact CG-CB 4.45Å; F559-L565 HydrophobicContact CB-CB 4.24Å; F559-L565 HydrophobicContact CD2-CB 4.03Å; F559-L565 HydrophobicContact CD2-CD1 3.82Å; F559-L565 HydrophobicContact CE2-CD1 4.09Å; F559-L565 HydrophobicContact CG-CB 4.25Å; F559-H568 HydrophobicContact CE1-CB 3.98Å; F559-H568 HydrophobicContact CE2-CB 3.95Å; F559-H568 AromaticContact CE2-CD2 3.27Å; F559-H568 WeakPolarHBondContact CE2-CD2 3.32Å; F559-H568 AromaticContact CE2-CG 3.73Å; F559-H568 HydrophobicContact CZ-CB 3.48Å; F559-H568 VanDerWaalsContact CZ-CB 3.48Å; F559-H568 AromaticContact CZ-CD2 3.31Å; F559-H568 WeakPolarHBondContact CZ-CD2 3.45Å; F559-H568 AromaticContact CZ-CG 3.3Å
560	K	71.6	Confident	73.2	Confident	64 Å²	64	81.3 Å²	81.3	28%	0.278	40%	0.402	S	S	.	.	S	Bend	trans	-75.6	-22.7	177.8	-56.1	-164.8	168.9	-163.8	0	113	R542 V543 E547 K548	R542-K560 PolarHBondContact NH1-O 2.69Å; R542-K560 WeakPolarHBondContact O-CD 3.48Å; R542-K560 WeakPolarHBondContact O-CE 3.38Å; R542-K560 PolarHBondContact O-NZ 3.27Å; V543-K560 PolarHBondContact O-NZ 3Å; E547-K560 WeakPolarHBondContact O-CG 3.13Å; K548-K560 HydrophobicContact CG-CG 4.01Å
561	Q	72.8	Confident	72.5	Confident	51 Å²	51	83.5 Å²	83.5	24%	0.238	42%	0.419	C	S	.	.	S	Bend	trans	-132.8	146	-176.4	-54.4	-167.1	40.6	0	0	111.8	R539 F559 H564 L565	R539-Q561 HydrophobicContact CG-CG 4.24Å; F559-Q561 VanDerWaalsContact C-N 3.35Å; Q561-H564 PolarHBondContact O-N 3.26Å; Q561-L565 PolarHBondContact O-N 3.29Å
562	R	75.1	Confident	72.1	Confident	170 Å²	170	79.9 Å²	79.9	64%	0.642	40%	0.404	S	S	*	.	H	α-helix	trans	-65.8	-41.1	-179.6	179.9	175.4	-75	169.4	-6.1	112.3	F550 H564 L565 T566	F550-R562 HydrophobicContact CD1-CB 4.21Å; F550-R562 HydrophobicContact CD2-CB 4.4Å; F550-R562 VanDerWaalsContact CD2-N 3.34Å; F550-R562 HydrophobicContact CE1-CB 3.98Å; F550-R562 HydrophobicContact CE2-CB 4.15Å; F550-R562 VanDerWaalsContact CE2-N 3.32Å; F550-R562 HydrophobicContact CG-CB 4.41Å; F550-R562 HydrophobicContact CZ-CB 3.94Å; R562-H564 PolarHBondContact O-N 2.9Å; R562-L565 CarbonylContact O-C 3.5Å; R562-L565 WeakPolarHBondContact O-CA 3.34Å; R562-L565 WeakPolarHBondContact O-CB 3.24Å; R562-L565 PolarHBondContact O-N 3.01Å; R562-T566 PolarHBondContact O-N 3.25Å; R562-T566 PolarHBondContact O-OG1 3.35Å
563	E	74.6	Confident	71.3	Confident	124 Å²	124	83.2 Å²	83.2	58%	0.579	43%	0.428	S	S	*	.	H	α-helix	trans	-56.2	-37.1	178.2	-68.3	158	-143.2	0	0	112.3	T566 K567	E563-T566 PolarHBondContact O-N 2.94Å; E563-K567 WeakPolarHBondContact O-CG 3.31Å; E563-K567 PolarHBondContact O-N 2.88Å
564	H	76.9	Confident	70.4	Confident	91 Å²	91	87.1 Å²	87.1	42%	0.421	43%	0.432	S	S	.	.	H	α-helix	trans	-74.5	-35.4	177.1	-61.8	-175.9	0	0	0	111.9	F559 Q561 R562 H568	F559-H564 HydrophobicContact CB-CB 4.41Å; F559-H564 HydrophobicContact CD1-CB 3.88Å; F559-H564 HydrophobicContact CG-CB 4.45Å; Q561-H564 PolarHBondContact O-N 3.26Å; R562-H564 PolarHBondContact O-N 2.9Å; H564-H568 VanDerWaalsContact O-CB 3.32Å; H564-H568 WeakPolarHBondContact O-CB 3.47Å; H564-H568 PolarHBondContact O-N 3.11Å
565	L	75	Confident	69.5	Low	15 Å²	15	89.1 Å²	89.1	8%	0.079	44%	0.442	C	S	.	.	H	α-helix	trans	-63.2	-44.7	169.7	173.5	62.6	0	0	0	110.7	F550 K551 C552 F559 Q561 R562 H568 Q569	F550-L565 HydrophobicContact CB-CB 4Å; F550-L565 HydrophobicContact CB-CD2 3.75Å; F550-L565 HydrophobicContact CB-CG 4.46Å; K551-L565 WeakPolarHBondContact O-CD2 3.49Å; C552-L565 HydrophobicContact CB-CD1 3.6Å; F559-L565 HydrophobicContact CB-CB 4.24Å; F559-L565 HydrophobicContact CD2-CB 4.03Å; F559-L565 HydrophobicContact CD2-CD1 3.82Å; F559-L565 HydrophobicContact CE2-CD1 4.09Å; F559-L565 HydrophobicContact CG-CB 4.25Å; Q561-L565 PolarHBondContact O-N 3.29Å; R562-L565 CarbonylContact O-C 3.5Å; R562-L565 WeakPolarHBondContact O-CA 3.34Å; R562-L565 WeakPolarHBondContact O-CB 3.24Å; R562-L565 PolarHBondContact O-N 3.01Å; L565-H568 CarbonylContact O-C 3.49Å; L565-H568 WeakPolarHBondContact O-CA 3.45Å; L565-H568 WeakPolarHBondContact O-CB 3.29Å; L565-H568 PolarHBondContact O-N 3.08Å; L565-H568 VanDerWaalsContact O-N 3.09Å; L565-Q569 HydrophobicContact CD1-CG 3.92Å; L565-Q569 HydrophobicContact CG-CG 4.2Å; L565-Q569 WeakPolarHBondContact O-CB 3.49Å; L565-Q569 WeakPolarHBondContact O-CG 3.47Å; L565-Q569 PolarHBondContact O-N 3.31Å
566	T	73.1	Confident	68.6	Low	77 Å²	77	89.3 Å²	89.3	47%	0.472	45%	0.451	S	S	.	.	H	α-helix	trans	-63.5	-44.3	179.6	-55	0	0	0	0	111.8	R562 E563 H568 Q569 S570	R562-T566 PolarHBondContact O-N 3.25Å; R562-T566 PolarHBondContact O-OG1 3.35Å; E563-T566 PolarHBondContact O-N 2.94Å; T566-H568 PolarHBondContact O-N 3.34Å; T566-Q569 PolarHBondContact O-N 3.49Å; T566-S570 PolarHBondContact O-N 2.88Å; T566-S570 PolarHBondContact O-OG 2.82Å
567	K	69.1	Low	68.5	Low	157 Å²	157	88.5 Å²	88.5	68%	0.683	44%	0.436	S	S	*	.	H	α-helix	trans	-60.8	-30.2	171.8	-76.9	-176.6	174.1	-169.4	0	113.4	E563 S570	E563-K567 WeakPolarHBondContact O-CG 3.31Å; E563-K567 PolarHBondContact O-N 2.88Å; K567-S570 VanDerWaalsContact C-OG 3.3Å; K567-S570 WeakPolarHBondContact CA-OG 3.49Å; K567-S570 PolarHBondContact O-OG 3.46Å
568	H	73.9	Confident	68	Low	24 Å²	24	86.7 Å²	86.7	11%	0.111	43%	0.429	C	S	.	.	H	α-helix	trans	-80.7	-35.2	174.7	176	55.3	0	0	0	112.6	C555 F559 H564 L565 T566 S570 T571 H572	C555-H568 PolarHBondContact SG-NE2 2.83Å; F559-H568 HydrophobicContact CE1-CB 3.98Å; F559-H568 HydrophobicContact CE2-CB 3.95Å; F559-H568 AromaticContact CE2-CD2 3.27Å; F559-H568 WeakPolarHBondContact CE2-CD2 3.32Å; F559-H568 AromaticContact CE2-CG 3.73Å; F559-H568 HydrophobicContact CZ-CB 3.48Å; F559-H568 VanDerWaalsContact CZ-CB 3.48Å; F559-H568 AromaticContact CZ-CD2 3.31Å; F559-H568 WeakPolarHBondContact CZ-CD2 3.45Å; F559-H568 AromaticContact CZ-CG 3.3Å; H564-H568 VanDerWaalsContact O-CB 3.32Å; H564-H568 WeakPolarHBondContact O-CB 3.47Å; H564-H568 PolarHBondContact O-N 3.11Å; L565-H568 CarbonylContact O-C 3.49Å; L565-H568 WeakPolarHBondContact O-CA 3.45Å; L565-H568 WeakPolarHBondContact O-CB 3.29Å; L565-H568 PolarHBondContact O-N 3.08Å; L565-H568 VanDerWaalsContact O-N 3.09Å; T566-H568 PolarHBondContact O-N 3.34Å; H568-S570 VanDerWaalsContact C-N 3.28Å; H568-S570 PolarHBondContact O-N 3.43Å; H568-T571 PolarHBondContact ND1-OG1 2.76Å; H568-T571 WeakPolarHBondContact O-CB 3.25Å; H568-T571 PolarHBondContact O-N 2.87Å; H568-T571 PolarHBondContact O-OG1 3.19Å; H568-H572 AromaticContact CD2-NE2 3.86Å; H568-H572 AromaticContact CE1-NE2 3.24Å; H568-H572 PolarHBondContact CE1-NE2 3.43Å; H568-H572 AromaticContact NE2-CD2 3.91Å; H568-H572 AromaticContact NE2-NE2 3.05Å; H568-H572 PolarHBondContact NE2-NE2 3.26Å; H568-H572 PolarHBondContact O-CD2 3.38Å
569	Q	67.3	Low	67.4	Low	63 Å²	63	91.8 Å²	91.8	29%	0.294	44%	0.444	S	S	.	.	H	α-helix	trans	-61.7	-37.6	173.8	-76.7	169.7	-40.4	0	0	110.9	L565 T566 T571 H572 S573	L565-Q569 HydrophobicContact CD1-CG 3.92Å; L565-Q569 HydrophobicContact CG-CG 4.2Å; L565-Q569 WeakPolarHBondContact O-CB 3.49Å; L565-Q569 WeakPolarHBondContact O-CG 3.47Å; L565-Q569 PolarHBondContact O-N 3.31Å; T566-Q569 PolarHBondContact O-N 3.49Å; Q569-T571 PolarHBondContact O-N 3.33Å; Q569-T571 VanDerWaalsContact O-N 3.14Å; Q569-H572 PolarHBondContact O-N 3.21Å; Q569-S573 PolarHBondContact O-N 2.86Å; Q569-S573 VanDerWaalsContact O-N 3.13Å; Q569-S573 PolarHBondContact O-OG 2.64Å
570	S	68.2	Low	66.9	Low	65 Å²	65	89.7 Å²	89.7	46%	0.455	44%	0.436	S	S	.	.	H	α-helix	trans	-64.8	-10.7	170.5	49.9	0	0	0	0	115	T566 K567 H568	T566-S570 PolarHBondContact O-N 2.88Å; T566-S570 PolarHBondContact O-OG 2.82Å; K567-S570 VanDerWaalsContact C-OG 3.3Å; K567-S570 WeakPolarHBondContact CA-OG 3.49Å; K567-S570 PolarHBondContact O-OG 3.46Å; H568-S570 VanDerWaalsContact C-N 3.28Å; H568-S570 PolarHBondContact O-N 3.43Å
571	T	63.4	Low	66.5	Low	88 Å²	88	93 Å²	93	54%	0.54	46%	0.461	S	S	.	.	H	α-helix	trans	-83.6	-18	168.6	68.6	0	0	0	0	113.3	H568 Q569	H568-T571 PolarHBondContact ND1-OG1 2.76Å; H568-T571 WeakPolarHBondContact O-CB 3.25Å; H568-T571 PolarHBondContact O-N 2.87Å; H568-T571 PolarHBondContact O-OG1 3.19Å; Q569-T571 PolarHBondContact O-N 3.33Å; Q569-T571 VanDerWaalsContact O-N 3.14Å
572	H	65.7	Low	65.9	Low	68 Å²	68	98.6 Å²	98.6	32%	0.315	48%	0.48	S	S	.	.	H	α-helix	trans	-87.6	-34	171.1	-61.3	-74.2	0	0	0	111.1	C552 C555 H568 Q569 R574	C552-H572 PolarHBondContact SG-NE2 3.34Å; C555-H572 VanDerWaalsContact SG-CE1 3.55Å; C555-H572 PolarHBondContact SG-NE2 3.45Å; C555-H572 VanDerWaalsContact SG-NE2 3.44Å; H568-H572 AromaticContact CD2-NE2 3.86Å; H568-H572 AromaticContact CE1-NE2 3.24Å; H568-H572 PolarHBondContact CE1-NE2 3.43Å; H568-H572 AromaticContact NE2-CD2 3.91Å; H568-H572 AromaticContact NE2-NE2 3.05Å; H568-H572 PolarHBondContact NE2-NE2 3.26Å; H568-H572 PolarHBondContact O-CD2 3.38Å; Q569-H572 PolarHBondContact O-N 3.21Å; H572-R574 PolarHBondContact O-N 2.94Å
573	S	60	Low	65.8	Low	70 Å²	70	93.4 Å²	93.4	49%	0.49	47%	0.469	S	S	.	.			trans	-73.8	89.4	172.1	-54.9	0	0	0	0	111.6	Q569 E575 G576	Q569-S573 PolarHBondContact O-N 2.86Å; Q569-S573 VanDerWaalsContact O-N 3.13Å; Q569-S573 PolarHBondContact O-OG 2.64Å; S573-E575 PolarHBondContact O-N 3.24Å; S573-G576 PolarHBondContact O-N 2.9Å
574	R	55.9	Low	65.3	Low	221 Å²	221	88.7 Å²	88.7	83%	0.834	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-8	178.3	-80.2	-172.7	170.8	-163.5	-2.4	116.1	H572 R586	H572-R574 PolarHBondContact O-N 2.94Å; R574-R586 PolarHBondContact O-NH2 3.15Å
575	E	49.7	Very low	64.9	Low	188 Å²	188	90 Å²	90	88%	0.879	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-15.8	-179.7	-61.4	-177.9	144.7	0	0	113.9	S573	S573-E575 PolarHBondContact O-N 3.24Å
576	G	55.5	Low	64.7	Low	49 Å²	49	94.6 Å²	94.6	51%	0.505	48%	0.476	S	S	.	.			trans	-105.3	22	-166.9	0	0	0	0	0	117.8	S573	S573-G576 PolarHBondContact O-N 2.9Å
577	Q	65.8	Low	64.5	Low	82 Å²	82	92.9 Å²	92.9	38%	0.383	46%	0.462	S	S	.	.			trans	-85.7	137.8	175.6	-72.5	172.9	-51.6	0	0	111.7	K579 R586 F587	Q577-K579 PolarHBondContact O-N 2.94Å; Q577-R586 HydrophobicContact CB-CB 3.81Å; Q577-R586 HydrophobicContact CG-CB 4.33Å; Q577-R586 PolarHBondContact NE2-O 2.78Å; Q577-F587 CarbonylContact C-O 3.54Å; Q577-F587 VanDerWaalsContact CA-O 3.26Å; Q577-F587 WeakPolarHBondContact CA-O 3.43Å; Q577-F587 WeakPolarHBondContact CB-O 3.39Å
578	F	62	Low	64.2	Low	88 Å²	88	89.6 Å²	89.6	39%	0.386	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	113.9	174.4	-62	-84.6	0	0	0	109.1	F587 D589 L590 L593	F578-F587 PolarHBondContact N-O 2.82Å; F578-F587 PolarHBondContact O-N 2.8Å; F578-D589 VanDerWaalsContact CD2-C 3.41Å; F578-L590 HydrophobicContact CD1-CD1 3.56Å; F578-L590 HydrophobicContact CE1-CB 4.43Å; F578-L590 HydrophobicContact CE1-CD1 3.59Å; F578-L590 HydrophobicContact CE2-CB 4.26Å; F578-L590 HydrophobicContact CG-CD1 4.17Å; F578-L590 HydrophobicContact CZ-CB 4.2Å; F578-L590 HydrophobicContact CZ-CD1 4.2Å; F578-L593 HydrophobicContact CB-CB 4.16Å; F578-L593 HydrophobicContact CB-CD2 3.69Å; F578-L593 HydrophobicContact CB-CG 4.48Å
579	K	61.1	Low	63.9	Low	128 Å²	128	91.4 Å²	91.4	56%	0.557	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.8	-178.6	-171.7	-175	173.8	-175.1	0	110.1	Q577 V581 G584 E585	Q577-K579 PolarHBondContact O-N 2.94Å; K579-V581 PolarHBondContact O-N 2.88Å; K579-G584 WeakPolarHBondContact CG-O 3.33Å; K579-E585 CarbonylContact C-O 3.49Å; K579-E585 WeakPolarHBondContact CA-O 3.43Å
580	C	68.4	Low	63.8	Low	1 Å²	1	92.7 Å²	92.7	1%	0.007	48%	0.478	C	S	.	.			trans	-65.4	129.3	168	-177.3	0	0	0	0	109.9	W582 C583 G584 E585 F587 L593	C580-W582 VanDerWaalsContact C-N 3.32Å; C580-C583 VanDerWaalsContact CB-SG 3.57Å; C580-G584 WeakPolarHBondContact O-CA 3.25Å; C580-G584 PolarHBondContact O-N 3.39Å; C580-E585 PolarHBondContact N-O 3.46Å; C580-F587 HydrophobicContact CB-CE2 4.08Å; C580-L593 HydrophobicContact CB-CD1 3.7Å
581	V	62.2	Low	63.9	Low	133 Å²	133	91 Å²	91	81%	0.806	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-30.9	-176.7	-177.4	0	0	0	0	111.3	K579	K579-V581 PolarHBondContact O-N 2.88Å
582	W	62.2	Low	64.4	Low	168 Å²	168	89 Å²	89	64%	0.636	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-43.1	-175.7	-68.2	-78.4	0	0	0	114.5	C580 T597 H600	C580-W582 VanDerWaalsContact C-N 3.32Å; W582-T597 HydrophobicContact CE3-CG2 3.98Å; W582-T597 HydrophobicContact CZ3-CG2 3.64Å; W582-H600 HydrophobicContact CD2-CB 4.31Å; W582-H600 HydrophobicContact CE3-CB 4.34Å; W582-H600 HydrophobicContact CG-CB 4.39Å
583	C	72.3	Confident	64.7	Low	62 Å²	62	86.9 Å²	86.9	42%	0.419	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-11.7	-178.4	63.3	0	0	0	0	114.9	C580 E585 H596	C580-C583 VanDerWaalsContact CB-SG 3.57Å; C583-E585 VanDerWaalsContact C-N 3.3Å; C583-E585 PolarHBondContact O-N 3.41Å; C583-H596 PolarHBondContact SG-NE2 3.33Å
584	G	64.6	Low	65	Low	24 Å²	24	89 Å²	89	25%	0.247	45%	0.453	C	S	.	.			trans	80	-1.4	-178.1	0	0	0	0	0	116.9	K579 C580	K579-G584 WeakPolarHBondContact CG-O 3.33Å; C580-G584 WeakPolarHBondContact O-CA 3.25Å; C580-G584 PolarHBondContact O-N 3.39Å
585	E	66.9	Low	66	Low	119 Å²	119	84.2 Å²	84.2	56%	0.556	44%	0.444	S	S	*	.			trans	-59	149.8	175.6	-80.4	-58.2	143	0	0	113.1	K579 C580 C583 F587	K579-E585 CarbonylContact C-O 3.49Å; K579-E585 WeakPolarHBondContact CA-O 3.43Å; C580-E585 PolarHBondContact N-O 3.46Å; C583-E585 VanDerWaalsContact C-N 3.3Å; C583-E585 PolarHBondContact O-N 3.41Å; E585-F587 HydrophobicContact CB-CE2 3.62Å; E585-F587 HydrophobicContact CB-CZ 3.9Å
586	R	71.1	Confident	67.1	Low	111 Å²	111	76.7 Å²	76.7	42%	0.419	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110.3	-165.6	-63.7	-178.5	73.6	97.6	-4.4	112.3	R574 Q577	R574-R586 PolarHBondContact O-NH2 3.15Å; Q577-R586 HydrophobicContact CB-CB 3.81Å; Q577-R586 HydrophobicContact CG-CB 4.33Å; Q577-R586 PolarHBondContact NE2-O 2.78Å
587	F	69.3	Low	67.6	Low	41 Å²	41	75.9 Å²	75.9	18%	0.18	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	145.5	-172.7	-61.9	-89.7	0	0	0	112.6	Q577 F578 C580 E585 D589 L593 H596	Q577-F587 CarbonylContact C-O 3.54Å; Q577-F587 VanDerWaalsContact CA-O 3.26Å; Q577-F587 WeakPolarHBondContact CA-O 3.43Å; Q577-F587 WeakPolarHBondContact CB-O 3.39Å; F578-F587 PolarHBondContact N-O 2.82Å; F578-F587 PolarHBondContact O-N 2.8Å; C580-F587 HydrophobicContact CB-CE2 4.08Å; E585-F587 HydrophobicContact CB-CE2 3.62Å; E585-F587 HydrophobicContact CB-CZ 3.9Å; F587-D589 VanDerWaalsContact C-N 3.27Å; F587-D589 PolarHBondContact O-N 2.9Å; F587-L593 HydrophobicContact CB-CB 4.09Å; F587-L593 HydrophobicContact CD2-CB 4.17Å; F587-L593 HydrophobicContact CD2-CD1 3.69Å; F587-L593 HydrophobicContact CE2-CD1 4.03Å; F587-L593 HydrophobicContact CG-CB 4.18Å; F587-H596 HydrophobicContact CE1-CB 3.83Å; F587-H596 HydrophobicContact CE2-CB 4.19Å; F587-H596 AromaticContact CE2-CD2 3.42Å; F587-H596 VanDerWaalsContact CE2-CD2 3.42Å; F587-H596 WeakPolarHBondContact CE2-CD2 3.44Å; F587-H596 AromaticContact CE2-CG 3.9Å; F587-H596 HydrophobicContact CZ-CB 3.57Å; F587-H596 AromaticContact CZ-CD2 3.29Å; F587-H596 WeakPolarHBondContact CZ-CD2 3.18Å; F587-H596 AromaticContact CZ-CG 3.31Å; F587-H596 AromaticContact CZ-NE2 3.97Å
588	S	63.6	Low	67.9	Low	89 Å²	89	76 Å²	76	62%	0.622	40%	0.4	S	S	*	.	S	Bend	trans	-71.9	-17.8	-179.4	43.9	0	0	0	0	114.7
589	D	67.1	Low	68.2	Low	61 Å²	61	77 Å²	77	33%	0.326	41%	0.406	S	S	.	.	S	Bend	trans	-155.8	162.1	-174	66.9	-83.4	0	0	0	110.5	F578 F587 G591 S592 L593	F578-D589 VanDerWaalsContact CD2-C 3.41Å; F587-D589 VanDerWaalsContact C-N 3.27Å; F587-D589 PolarHBondContact O-N 2.9Å; D589-G591 VanDerWaalsContact C-N 3.35Å; D589-G591 PolarHBondContact O-N 3.47Å; D589-G591 PolarHBondContact OD2-N 2.99Å; D589-S592 VanDerWaalsContact CG-OG 3.28Å; D589-S592 WeakPolarHBondContact OD1-CB 3.41Å; D589-S592 PolarHBondContact OD1-OG 2.94Å; D589-S592 PolarHBondContact OD2-N 3.14Å; D589-S592 PolarHBondContact OD2-OG 3.33Å; D589-L593 PolarHBondContact O-N 3.43Å
590	L	64.2	Low	68.5	Low	90 Å²	90	74.2 Å²	74.2	47%	0.471	40%	0.395	S	S	.	.	H	α-helix	trans	-71.6	-27.8	-174.3	-164.4	78.1	0	0	0	112.9	F578 L593 Q594	F578-L590 HydrophobicContact CD1-CD1 3.56Å; F578-L590 HydrophobicContact CE1-CB 4.43Å; F578-L590 HydrophobicContact CE1-CD1 3.59Å; F578-L590 HydrophobicContact CE2-CB 4.26Å; F578-L590 HydrophobicContact CG-CD1 4.17Å; F578-L590 HydrophobicContact CZ-CB 4.2Å; F578-L590 HydrophobicContact CZ-CD1 4.2Å; L590-L593 PolarHBondContact O-N 3.15Å; L590-Q594 WeakPolarHBondContact O-CG 3.41Å; L590-Q594 PolarHBondContact O-N 3.34Å
591	G	71.8	Confident	68.2	Low	29 Å²	29	78.9 Å²	78.9	30%	0.299	42%	0.424	S	S	.	.	H	α-helix	trans	-70	-49.4	-179.5	0	0	0	0	0	110.9	D589 L593 Q594 D595	D589-G591 VanDerWaalsContact C-N 3.35Å; D589-G591 PolarHBondContact O-N 3.47Å; D589-G591 PolarHBondContact OD2-N 2.99Å; G591-L593 PolarHBondContact O-N 2.98Å; G591-Q594 WeakPolarHBondContact O-CA 3.49Å; G591-Q594 PolarHBondContact O-N 3.3Å; G591-D595 PolarHBondContact O-N 3.48Å
592	S	72.6	Confident	68	Low	46 Å²	46	76.2 Å²	76.2	32%	0.322	41%	0.411	S	S	.	.	H	α-helix	trans	-57.6	-35.2	173.6	-56.4	0	0	0	0	112.7	D589 H596	D589-S592 VanDerWaalsContact CG-OG 3.28Å; D589-S592 WeakPolarHBondContact OD1-CB 3.41Å; D589-S592 PolarHBondContact OD1-OG 2.94Å; D589-S592 PolarHBondContact OD2-N 3.14Å; D589-S592 PolarHBondContact OD2-OG 3.33Å; S592-H596 WeakPolarHBondContact O-CB 3.46Å; S592-H596 PolarHBondContact O-N 2.98Å
593	L	72.5	Confident	67.5	Low	24 Å²	24	74 Å²	74	13%	0.126	41%	0.412	C	S	.	.	H	α-helix	trans	-67.3	-45.8	170.8	175.4	63.1	0	0	0	111.4	F578 C580 F587 D589 L590 G591 D595 H596 T597	F578-L593 HydrophobicContact CB-CB 4.16Å; F578-L593 HydrophobicContact CB-CD2 3.69Å; F578-L593 HydrophobicContact CB-CG 4.48Å; C580-L593 HydrophobicContact CB-CD1 3.7Å; F587-L593 HydrophobicContact CB-CB 4.09Å; F587-L593 HydrophobicContact CD2-CB 4.17Å; F587-L593 HydrophobicContact CD2-CD1 3.69Å; F587-L593 HydrophobicContact CE2-CD1 4.03Å; F587-L593 HydrophobicContact CG-CB 4.18Å; D589-L593 PolarHBondContact O-N 3.43Å; L590-L593 PolarHBondContact O-N 3.15Å; G591-L593 PolarHBondContact O-N 2.98Å; L593-D595 PolarHBondContact O-N 3.11Å; L593-H596 PolarHBondContact O-N 3.14Å; L593-T597 HydrophobicContact CD1-CG2 3.74Å; L593-T597 HydrophobicContact CG-CG2 4.1Å; L593-T597 WeakPolarHBondContact O-CG2 3.44Å; L593-T597 PolarHBondContact O-N 3.23Å; L593-T597 PolarHBondContact O-OG1 3.24Å
594	Q	66.9	Low	66.6	Low	115 Å²	115	74.8 Å²	74.8	54%	0.537	43%	0.43	S	S	.	.	H	α-helix	trans	-59.8	-48.4	-178.3	-78.2	-178.4	-61.4	0	0	111.6	L590 G591 H596 T597 V598	L590-Q594 WeakPolarHBondContact O-CG 3.41Å; L590-Q594 PolarHBondContact O-N 3.34Å; G591-Q594 WeakPolarHBondContact O-CA 3.49Å; G591-Q594 PolarHBondContact O-N 3.3Å; Q594-H596 VanDerWaalsContact C-N 3.29Å; Q594-H596 PolarHBondContact O-N 2.92Å; Q594-T597 WeakPolarHBondContact CA-OG1 3.41Å; Q594-T597 PolarHBondContact O-N 3.2Å; Q594-T597 VanDerWaalsContact O-N 3.1Å; Q594-T597 PolarHBondContact O-OG1 3.29Å; Q594-V598 WeakPolarHBondContact O-CG2 3.19Å; Q594-V598 PolarHBondContact O-N 2.88Å
595	D	75.4	Confident	65.7	Low	120 Å²	120	80 Å²	80	64%	0.642	45%	0.452	S	S	*	.	H	α-helix	trans	-59.4	-40.4	177.4	-65	-23.1	0	0	0	111.7	G591 L593 V598	G591-D595 PolarHBondContact O-N 3.48Å; L593-D595 PolarHBondContact O-N 3.11Å; D595-V598 PolarHBondContact O-N 3.39Å
596	H	74.3	Confident	65.1	Low	31 Å²	31	78 Å²	78	14%	0.144	46%	0.463	C	S	.	.	H	α-helix	trans	-68.4	-38.5	174.2	177.1	62.1	0	0	0	113.2	C583 F587 S592 L593 Q594 V598 Q599 H600	C583-H596 PolarHBondContact SG-NE2 3.33Å; F587-H596 HydrophobicContact CE1-CB 3.83Å; F587-H596 HydrophobicContact CE2-CB 4.19Å; F587-H596 AromaticContact CE2-CD2 3.42Å; F587-H596 VanDerWaalsContact CE2-CD2 3.42Å; F587-H596 WeakPolarHBondContact CE2-CD2 3.44Å; F587-H596 AromaticContact CE2-CG 3.9Å; F587-H596 HydrophobicContact CZ-CB 3.57Å; F587-H596 AromaticContact CZ-CD2 3.29Å; F587-H596 WeakPolarHBondContact CZ-CD2 3.18Å; F587-H596 AromaticContact CZ-CG 3.31Å; F587-H596 AromaticContact CZ-NE2 3.97Å; S592-H596 WeakPolarHBondContact O-CB 3.46Å; S592-H596 PolarHBondContact O-N 2.98Å; L593-H596 PolarHBondContact O-N 3.14Å; Q594-H596 VanDerWaalsContact C-N 3.29Å; Q594-H596 PolarHBondContact O-N 2.92Å; H596-V598 PolarHBondContact O-N 3.11Å; H596-Q599 PolarHBondContact ND1-OE1 2.9Å; H596-Q599 WeakPolarHBondContact O-CB 3.45Å; H596-Q599 PolarHBondContact O-N 3.27Å; H596-Q599 VanDerWaalsContact O-N 3.11Å; H596-H600 AromaticContact CD2-NE2 3.84Å; H596-H600 AromaticContact CE1-CD2 4Å; H596-H600 AromaticContact CE1-NE2 3.34Å; H596-H600 PolarHBondContact CE1-NE2 3.12Å; H596-H600 VanDerWaalsContact CE1-NE2 3.34Å; H596-H600 AromaticContact NE2-CD2 3.67Å; H596-H600 AromaticContact NE2-NE2 2.98Å; H596-H600 PolarHBondContact NE2-NE2 2.88Å; H596-H600 PolarHBondContact O-CD2 3.3Å
597	T	65.6	Low	63.8	Low	32 Å²	32	82.6 Å²	82.6	20%	0.196	48%	0.482	C	S	.	.	H	α-helix	trans	-66.6	-24.9	176.3	52.8	0	0	0	0	113	W582 L593 Q594 Q599 H600	W582-T597 HydrophobicContact CE3-CG2 3.98Å; W582-T597 HydrophobicContact CZ3-CG2 3.64Å; L593-T597 HydrophobicContact CD1-CG2 3.74Å; L593-T597 HydrophobicContact CG-CG2 4.1Å; L593-T597 WeakPolarHBondContact O-CG2 3.44Å; L593-T597 PolarHBondContact O-N 3.23Å; L593-T597 PolarHBondContact O-OG1 3.24Å; Q594-T597 WeakPolarHBondContact CA-OG1 3.41Å; Q594-T597 PolarHBondContact O-N 3.2Å; Q594-T597 VanDerWaalsContact O-N 3.1Å; Q594-T597 PolarHBondContact O-OG1 3.29Å; T597-Q599 VanDerWaalsContact C-N 3.3Å; T597-Q599 PolarHBondContact O-N 3.29Å; T597-H600 PolarHBondContact O-N 3.17Å
598	V	72.6	Confident	62.7	Low	84 Å²	84	88.4 Å²	88.4	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-66	-33.9	172.3	175.6	0	0	0	0	111.2	Q594 D595 H596 H600 T601 S602	Q594-V598 WeakPolarHBondContact O-CG2 3.19Å; Q594-V598 PolarHBondContact O-N 2.88Å; D595-V598 PolarHBondContact O-N 3.39Å; H596-V598 PolarHBondContact O-N 3.11Å; V598-H600 VanDerWaalsContact C-N 3.32Å; V598-H600 PolarHBondContact O-N 3.37Å; V598-T601 WeakPolarHBondContact CA-OG1 3.45Å; V598-T601 CarbonylContact O-C 3.53Å; V598-T601 WeakPolarHBondContact O-CA 3.27Å; V598-T601 PolarHBondContact O-N 3.05Å; V598-T601 PolarHBondContact O-OG1 2.85Å; V598-S602 PolarHBondContact O-N 3.05Å
599	Q	67.8	Low	61.5	Low	110 Å²	110	90 Å²	90	51%	0.514	52%	0.521	S	S	.	.	H	α-helix	trans	-61.5	-39	176.9	-60	175	-40.4	0	0	112	H596 T597 T601 S602 D603	H596-Q599 PolarHBondContact ND1-OE1 2.9Å; H596-Q599 WeakPolarHBondContact O-CB 3.45Å; H596-Q599 PolarHBondContact O-N 3.27Å; H596-Q599 VanDerWaalsContact O-N 3.11Å; T597-Q599 VanDerWaalsContact C-N 3.3Å; T597-Q599 PolarHBondContact O-N 3.29Å; Q599-T601 PolarHBondContact O-N 3.43Å; Q599-S602 PolarHBondContact O-N 3.47Å; Q599-S602 PolarHBondContact O-OG 3.44Å; Q599-D603 PolarHBondContact O-N 2.94Å
600	H	66.3	Low	60.1	Low	69 Å²	69	92.6 Å²	92.6	32%	0.319	54%	0.541	S	S	.	.	H	α-helix	trans	-66	-14.4	172.6	-68.4	-81.6	0	0	0	113.9	W582 H596 T597 V598	W582-H600 HydrophobicContact CD2-CB 4.31Å; W582-H600 HydrophobicContact CE3-CB 4.34Å; W582-H600 HydrophobicContact CG-CB 4.39Å; H596-H600 AromaticContact CD2-NE2 3.84Å; H596-H600 AromaticContact CE1-CD2 4Å; H596-H600 AromaticContact CE1-NE2 3.34Å; H596-H600 PolarHBondContact CE1-NE2 3.12Å; H596-H600 VanDerWaalsContact CE1-NE2 3.34Å; H596-H600 AromaticContact NE2-CD2 3.67Å; H596-H600 AromaticContact NE2-NE2 2.98Å; H596-H600 PolarHBondContact NE2-NE2 2.88Å; H596-H600 PolarHBondContact O-CD2 3.3Å; T597-H600 PolarHBondContact O-N 3.17Å; V598-H600 VanDerWaalsContact C-N 3.32Å; V598-H600 PolarHBondContact O-N 3.37Å
601	T	62.8	Low	58.9	Low	99 Å²	99	97.4 Å²	97.4	61%	0.607	56%	0.561	S	S	*	*	H	α-helix	trans	-108	-13.3	178.7	62.3	0	0	0	0	113.9	V598 Q599	V598-T601 WeakPolarHBondContact CA-OG1 3.45Å; V598-T601 CarbonylContact O-C 3.53Å; V598-T601 WeakPolarHBondContact O-CA 3.27Å; V598-T601 PolarHBondContact O-N 3.05Å; V598-T601 PolarHBondContact O-OG1 2.85Å; Q599-T601 PolarHBondContact O-N 3.43Å
602	S	58.8	Low	57	Low	77 Å²	77	102 Å²	102	54%	0.538	59%	0.587	S	S	.	*	H	α-helix	trans	-88.7	-38.3	175.5	61.2	0	0	0	0	112.3	V598 Q599 G604	V598-S602 PolarHBondContact O-N 3.05Å; Q599-S602 PolarHBondContact O-N 3.47Å; Q599-S602 PolarHBondContact O-OG 3.44Å; S602-G604 PolarHBondContact O-N 3.23Å
603	D	51.2	Low	55.1	Low	122 Å²	122	112.3 Å²	112.3	65%	0.652	63%	0.633	S	S	*	*	S	Bend	trans	-93.1	80.7	-175.6	-62	-8.7	0	0	0	108.9	Q599 D605	Q599-D603 PolarHBondContact O-N 2.94Å; D603-D605 VanDerWaalsContact C-N 3.28Å; D603-D605 PolarHBondContact O-N 2.74Å
604	G	53.9	Low	54.3	Low	78 Å²	78	116.8 Å²	116.8	80%	0.804	66%	0.659	S	S	*	*			trans	-73.6	72.3	-178.9	0	0	0	0	0	113.6	S602	S602-G604 PolarHBondContact O-N 3.23Å
605	D	45.8	Very low	53.6	Low	134 Å²	134	116.8 Å²	116.8	72%	0.717	67%	0.665	S	S	*	*			trans	-133.2	138.1	162.7	-103.2	-50.5	0	0	0	111.2	D603 Y607	D603-D605 VanDerWaalsContact C-N 3.28Å; D603-D605 PolarHBondContact O-N 2.74Å; D605-Y607 WeakPolarHBondContact O-CE2 3.32Å
606	G	53.8	Low	52.4	Low	75 Å²	75	116.7 Å²	116.7	77%	0.773	67%	0.666	S	S	*	*			trans	-78.8	131.8	-157.1	0	0	0	0	0	115.4
607	Y	43	Very low	51.1	Low	208 Å²	208	121.7 Å²	121.7	82%	0.816	70%	0.697	S	S	*	*			trans	-118.7	136	167	-55.9	-66.5	0	0	0	111.5	D605	D605-Y607 WeakPolarHBondContact O-CE2 3.32Å
608	N	46.8	Very low	50.2	Low	163 Å²	163	127.3 Å²	127.3	87%	0.872	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-79	129.8	-167.5	-154.7	-29	0	0	0	111.2	P610	N608-P610 WeakPolarHBondContact O-CD 3.12Å
609	V	37.8	Very low	48.7	Very low	124 Å²	124	130.2 Å²	130.2	75%	0.752	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-81.9	118.9	-179.8	179.8	0	0	0	0	109.2	Q611	V609-Q611 PolarHBondContact O-N 3.23Å
610	P	38.2	Very low	47.3	Very low	115 Å²	115	131.6 Å²	131.6	75%	0.747	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-64.7	125.5	173.5	-18.4	32.4	0	0	0	110.1	N608 C612	N608-P610 WeakPolarHBondContact O-CD 3.12Å; P610-C612 PolarHBondContact O-N 2.63Å
611	Q	38	Very low	45.9	Very low	190 Å²	190	136.5 Å²	136.5	89%	0.888	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-66	123.9	179.2	-170.4	169.8	-1.7	0	0	110.2	V609 M613	V609-Q611 PolarHBondContact O-N 3.23Å; Q611-M613 PolarHBondContact O-N 3.16Å
612	C	33.4	Very low	44.5	Very low	127 Å²	127	139.6 Å²	139.6	86%	0.858	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-63.4	134.7	177.1	-76.8	0	0	0	0	112	P610	P610-C612 PolarHBondContact O-N 2.63Å
613	M	32.7	Very low	43.2	Very low	262 Å²	262	145.3 Å²	145.3	100%	1.291	83%	0.834	S	S	*	*			trans	-109.1	0	152.1	-78.7	-110.1	174.7	0	0	108	Q611	Q611-M613 PolarHBondContact O-N 3.16Å

Retrieved 613 of 613 residues in 387.3 ms (Link to these results)

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