A0A096MWH8_PAPAN Loading...

DNA-binding protein REPIN1

Sequence-specific double-stranded DNA-binding protein. Binds ATT-rich and T-rich DNA sequences and facilitates DNA bending. May regulate the expression of genes involved in cellular fatty acid import, including SCARB1/CD36, and genes involved in lipid droplet formation. May regulate the expression of LCN2, and thereby influence iron metabolism and apoptosis-related pathways. May regulate the expression of genes involved in glucose transport.

AlphaFold DB , UniProt , Accession A0A096MWH8, Species PAPAN (Papio anubis, Olive baboon), Gene REPIN1, Length 624 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	37.2	Very low	248 Å²	248	133.8 Å²	133.8	100%	1.222	78%	0.777	S	S	*	*				0	75.4	0	-55.8	-51.9	-151.8	0	0	110.5
2	G	36.1	Very low	36.7	Very low	75 Å²	75	130.7 Å²	130.7	77%	0.773	77%	0.768	S	S	*	*			cis	170.8	52.6	2.5	0	0	0	0	0	112.4
3	V	49.3	Very low	36	Very low	154 Å²	154	133.5 Å²	133.5	93%	0.933	78%	0.777	S	S	*	*			trans	-70.6	134.4	173.4	-68.9	0	0	0	0	110.6
4	G	30.5	Very low	35.7	Very low	66 Å²	66	132.9 Å²	132.9	68%	0.68	78%	0.776	S	S	*	*			trans	-170.6	119.8	-178.3	0	0	0	0	0	116.4
5	V	41.1	Very low	36.2	Very low	129 Å²	129	132.1 Å²	132.1	78%	0.782	78%	0.776	S	S	*	*				53.7	113.6	123.1	-179.8	0	0	0	0	119.6	L7	V5-L7 HydrophobicContact CG1-CD1 3.34Å
6	S	38.1	Very low	35.7	Very low	107 Å²	107	129 Å²	129	75%	0.748	78%	0.781	S	S	*	*			trans	-164.1	121	132.1	-83.8	0	0	0	0	110.2
7	L	37.4	Very low	35.1	Very low	131 Å²	131	125.5 Å²	125.5	69%	0.686	78%	0.777	S	S	*	*				78.8	136.8	69.8	-83.5	61.5	0	0	0	111.9	V5	V5-L7 HydrophobicContact CG1-CD1 3.34Å
8	L	35.1	Very low	34.6	Very low	129 Å²	129	130.4 Å²	130.4	68%	0.675	78%	0.781	S	S	*	*			cis	-170.8	161.3	-8.6	-113.9	175.6	0	0	0	112.2
9	L	37.2	Very low	34.2	Very low	128 Å²	128	135.3 Å²	135.3	67%	0.67	78%	0.784	S	S	*	*			trans	63.3	161.8	147.7	-62.2	169.7	0	0	0	119
10	Q	36	Very low	33.9	Very low	137 Å²	137	133.8 Å²	133.8	64%	0.64	78%	0.782	S	S	*	*			cis	-153.9	-178.1	1.9	-128.3	157.9	-9.4	0	0	108.9
11	F	30.7	Very low	33.5	Very low	168 Å²	168	134.7 Å²	134.7	74%	0.737	79%	0.789	S	S	*	*			cis	-140	-107.3	2.8	-147.8	-35.2	0	0	0	113.9
12	S	32.1	Very low	32.9	Very low	96 Å²	96	126 Å²	126	67%	0.671	76%	0.763	S	S	*	*			trans	-165.3	159.1	-168.6	-62.6	0	0	0	0	113.3
13	L	27.8	Very low	32.4	Very low	168 Å²	168	134.4 Å²	134.4	88%	0.88	77%	0.771	S	S	*	*				-176.9	165.7	116.1	-96.2	166.5	0	0	0	112.8
14	T	31.2	Very low	31.2	Very low	125 Å²	125	132.2 Å²	132.2	77%	0.767	76%	0.762	S	S	*	*			trans	-117.2	-166.2	-176.7	55.2	0	0	0	0	109.2
15	P	43.5	Very low	30.9	Very low	120 Å²	120	140.3 Å²	140.3	78%	0.779	77%	0.773	S	S	*	*			cis	-143.2	173.9	1.9	43.5	-24.5	0	0	0	118.6
16	G	27.6	Very low	30.2	Very low	83 Å²	83	144.9 Å²	144.9	86%	0.856	78%	0.776	S	S	*	*			trans	78.5	154.9	152.4	0	0	0	0	0	118.8
17	G	26.4	Very low	29.4	Very low	69 Å²	69	145.4 Å²	145.4	71%	0.711	78%	0.778	S	S	*	*			cis	167.3	146.8	-12	0	0	0	0	0	114.1
18	Y	24.9	Very low	28.8	Very low	215 Å²	215	145 Å²	145	84%	0.843	79%	0.786	S	S	*	*			trans	66.3	154.9	170	-83	-100.5	0	0	0	117.7
19	R	27.5	Very low	28.4	Very low	222 Å²	222	150.6 Å²	150.6	84%	0.838	80%	0.798	S	S	*	*			cis	-140.8	169.2	-1.7	-166.2	166.3	-122.2	-167.7	2.7	110.6
20	S	27.6	Very low	27.7	Very low	106 Å²	106	148.2 Å²	148.2	74%	0.741	81%	0.805	S	S	*	*			trans	-120.5	159.2	-171.4	54.5	0	0	0	0	114.9
21	V	26.6	Very low	27.1	Very low	153 Å²	153	146.5 Å²	146.5	93%	0.927	81%	0.808	S	S	*	*			trans	-146	147.9	144	-172.1	0	0	0	0	107.9
22	G	24.6	Very low	26.9	Very low	66 Å²	66	146 Å²	146	68%	0.68	81%	0.811	S	S	*	*			trans	-164.1	171.4	171.8	0	0	0	0	0	112.9
23	R	24.4	Very low	26.8	Very low	250 Å²	250	146.8 Å²	146.8	94%	0.943	81%	0.814	S	S	*	*			trans	-157.6	150	167.2	-114.9	176.7	-173	-158.8	2	112.3
24	S	24.9	Very low	26.9	Very low	108 Å²	108	149.8 Å²	149.8	76%	0.755	81%	0.813	S	S	*	*			trans	-122.4	143.2	175.8	171.3	0	0	0	0	110.3
25	R	25.3	Very low	26.6	Very low	237 Å²	237	151.6 Å²	151.6	89%	0.894	82%	0.818	S	S	*	*			trans	-166.1	94.2	160.1	-107.4	161.9	-152.9	-121.8	3.5	113.7
26	R	25.1	Very low	25.8	Very low	225 Å²	225	153.8 Å²	153.8	85%	0.849	82%	0.822	S	S	*	*				25.8	125.3	127.7	-166.4	-174.9	-58.7	-116.3	5.1	120.3
27	C	21.6	Very low	25.8	Very low	118 Å²	118	155.2 Å²	155.2	80%	0.797	82%	0.816	S	S	*	*			trans	61.7	150.5	155.8	-64.4	0	0	0	0	118
28	S	23.8	Very low	25.8	Very low	121 Å²	121	162 Å²	162	85%	0.846	83%	0.826	S	S	*	*			cis	-150.6	175.4	38.9	-72.6	0	0	0	0	114.6
29	R	28.2	Very low	25.8	Very low	248 Å²	248	162.4 Å²	162.4	94%	0.936	83%	0.826	S	S	*	*			trans	-74.5	148.7	172.5	-66.9	174.4	174.1	162.6	-3.2	112
30	G	21.5	Very low	25.9	Very low	78 Å²	78	157 Å²	157	80%	0.804	82%	0.822	S	S	*	*			trans	-150	131.5	163.8	0	0	0	0	0	110.3
31	S	23.5	Very low	25.8	Very low	101 Å²	101	162.9 Å²	162.9	71%	0.706	83%	0.828	S	S	*	*			trans	-132.2	119.7	-166.5	-63.1	0	0	0	0	112.9
32	I	27.2	Very low	26	Very low	157 Å²	157	164.5 Å²	164.5	81%	0.805	82%	0.823	S	S	*	*			trans	69.7	149.4	156.5	-63.5	169.6	0	0	0	112.9
33	P	29.7	Very low	26.1	Very low	112 Å²	112	169.9 Å²	169.9	73%	0.727	83%	0.827	S	S	*	*			cis	-111.9	165.8	19.5	20.8	4.2	0	0	0	114.1
34	R	30.6	Very low	26.3	Very low	232 Å²	232	163.7 Å²	163.7	88%	0.875	82%	0.819	S	S	*	*				60	128.1	60.8	-78.2	-166.9	-178.1	-163.9	5.4	115.1
35	N	23.9	Very low	26.5	Very low	162 Å²	162	166.6 Å²	166.6	87%	0.866	82%	0.821	S	S	*	*			trans	63.4	117.8	170.4	-85.9	-7.6	0	0	0	119.4
36	I	27	Very low	26.9	Very low	167 Å²	167	160.5 Å²	160.5	86%	0.856	81%	0.812	S	S	*	*				-158.2	148.5	128.7	-107.5	159.1	0	0	0	107.2
37	P	27.8	Very low	27.2	Very low	112 Å²	112	158.3 Å²	158.3	73%	0.727	81%	0.811	S	S	*	*			trans	-85.2	155	-145.4	30.6	-37.1	0	0	0	115.8	R39	P37-R39 PolarHBondContact O-N 2.69Å
38	K	25.6	Very low	27.5	Very low	213 Å²	213	161.3 Å²	161.3	93%	0.926	82%	0.818	S	S	*	*			trans	-68.2	98.1	164.9	-72.1	-169.9	174.3	-170.9	0	109.9
39	R	25.5	Very low	27.5	Very low	223 Å²	223	160.9 Å²	160.9	84%	0.842	81%	0.814	S	S	*	*			trans	-48.6	147.4	164.9	-82.8	-173.5	168.1	-161.5	-2.6	110.6	P37 W41	P37-R39 PolarHBondContact O-N 2.69Å; R39-W41 PolarHBondContact O-N 2.74Å; R39-W41 VanDerWaalsContact O-N 3.08Å
40	S	30.6	Very low	27.3	Very low	107 Å²	107	154.2 Å²	154.2	75%	0.748	81%	0.806	S	S	*	*			trans	-67.9	102.5	-177	52.2	0	0	0	0	112.2	K42	S40-K42 PolarHBondContact O-N 3.24Å
41	W	24.9	Very low	27.7	Very low	230 Å²	230	157 Å²	157	87%	0.871	80%	0.801	S	S	*	*			trans	-74.7	72	165	-77.3	69	0	0	0	110.4	R39 K43	R39-W41 PolarHBondContact O-N 2.74Å; R39-W41 VanDerWaalsContact O-N 3.08Å; W41-K43 PolarHBondContact O-N 3.48Å
42	K	30.5	Very low	27.9	Very low	188 Å²	188	160.1 Å²	160.1	82%	0.817	81%	0.805	S	S	*	*			trans	-59.9	114.2	152.1	-79	-174.9	175.7	-178.6	0	105.9	S40	S40-K42 PolarHBondContact O-N 3.24Å
43	K	26.3	Very low	27.8	Very low	178 Å²	178	157.5 Å²	157.5	77%	0.774	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.8	135	164.2	-76.9	-161.2	167.7	-157.1	0	108.3	W41	W41-K43 PolarHBondContact O-N 3.48Å
44	P	29.8	Very low	27.9	Very low	120 Å²	120	160.8 Å²	160.8	78%	0.779	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.3	150.9	177.7	28.9	-34.5	0	0	0	110.7
45	H	28.9	Very low	27.6	Very low	169 Å²	169	159.1 Å²	159.1	78%	0.782	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-80.4	135.3	163.7	-157.1	-76.5	0	0	0	107.4	Q47	H45-Q47 PolarHBondContact O-N 3.4Å
46	P	34	Very low	28	Very low	109 Å²	109	160.1 Å²	160.1	71%	0.708	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-65.4	130.6	167.2	28.3	-32.1	0	0	0	108.4
47	Q	29.9	Very low	29.4	Very low	180 Å²	180	156.7 Å²	156.7	84%	0.841	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-103.6	138.4	154.2	-72.1	-148.6	-58.4	0	0	107.8	H45	H45-Q47 PolarHBondContact O-N 3.4Å
48	L	27.9	Very low	29.2	Very low	180 Å²	180	159.6 Å²	159.6	94%	0.942	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-101.1	135.9	157.5	-77	165.7	0	0	0	106.4
49	C	23.9	Very low	29.4	Very low	112 Å²	112	156.5 Å²	156.5	76%	0.757	80%	0.801	S	S	*	*			trans	-135.7	119.3	177.1	-170.6	0	0	0	0	109.2
50	S	25.1	Very low	29.5	Very low	109 Å²	109	152.7 Å²	152.7	76%	0.762	79%	0.793	S	S	*	*			trans	-138.9	116.4	159.3	-57.8	0	0	0	0	103.3
51	L	29.6	Very low	29.3	Very low	136 Å²	136	157.7 Å²	157.7	71%	0.712	80%	0.796	S	S	*	*				54.9	123.6	80.8	-57.6	179.5	0	0	0	111.2
52	Q	26.7	Very low	29.5	Very low	166 Å²	166	157.9 Å²	157.9	78%	0.776	80%	0.796	S	S	*	*			cis	-166.2	145.1	1	-138.1	166.3	-36.1	0	0	109.9
53	A	25.7	Very low	29.2	Very low	103 Å²	103	154.7 Å²	154.7	85%	0.851	80%	0.796	S	S	*	*			trans	-172.2	133.2	157.4	0	0	0	0	0	108.6
54	E	31.3	Very low	29.4	Very low	180 Å²	180	157.4 Å²	157.4	84%	0.841	80%	0.801	S	S	*	*			trans	-119.4	149.3	177.9	-59.5	-173	138.7	0	0	109.9
55	E	25.9	Very low	29.1	Very low	197 Å²	197	154.7 Å²	154.7	92%	0.921	80%	0.795	S	S	*	*			trans	-166.5	152.1	138	-108.9	172	178.8	0	0	109.8
56	E	30.4	Very low	29.9	Very low	183 Å²	183	152.1 Å²	152.1	86%	0.855	79%	0.793	S	S	*	*			trans	-112.1	179.8	-161.2	-96.4	-81.1	102	0	0	112.5
57	P	56.5	Low	29.7	Very low	95 Å²	95	154.9 Å²	154.9	62%	0.617	80%	0.801	S	S	*	*			trans	-117.7	178.5	-137.4	44.3	-40.4	0	0	0	116.3
58	M	24.9	Very low	29.7	Very low	174 Å²	174	150.6 Å²	150.6	86%	0.857	80%	0.797	S	S	*	*			trans	-139.9	114.3	149.9	-85.5	-157.4	172.9	0	0	115
59	L	29	Very low	29.8	Very low	147 Å²	147	151.2 Å²	151.2	77%	0.77	80%	0.797	S	S	*	*				49.1	130.4	126.7	-71.5	166	0	0	0	123.5
60	E	26.8	Very low	29.9	Very low	143 Å²	143	149 Å²	149	67%	0.668	79%	0.793	S	S	*	*			trans	69.5	154.7	152.3	-63	-152.2	125.4	0	0	119
61	R	27.6	Very low	31.7	Very low	213 Å²	213	149.9 Å²	149.9	80%	0.804	80%	0.796	S	S	*	*			cis	-143.7	177.8	15.4	-149.1	161.8	-112	-145.4	-5.7	113.2
62	R	28.3	Very low	31.7	Very low	234 Å²	234	147.4 Å²	147.4	88%	0.883	80%	0.795	S	S	*	*			trans	-153.4	141	-161.4	172.7	176.6	63.5	-172.4	-1.4	110.4
63	C	25.4	Very low	32	Very low	120 Å²	120	148.5 Å²	148.5	81%	0.811	80%	0.801	S	S	*	*			cis	-129.1	-125.2	2.6	-154.8	0	0	0	0	110.3
64	R	29.6	Very low	32.2	Very low	235 Å²	235	148.3 Å²	148.3	89%	0.887	80%	0.799	S	S	*	*			cis	-159.7	169.1	-0	-146.6	177	-155.1	-162.5	6.5	109.9
65	G	24.5	Very low	32.3	Very low	63 Å²	63	150.1 Å²	150.1	65%	0.649	80%	0.798	S	S	*	*			trans	-100.9	-154.5	164.9	0	0	0	0	0	112.3
66	P	45.8	Very low	32.5	Very low	115 Å²	115	147 Å²	147	75%	0.747	79%	0.787	S	S	*	*			cis	-145.9	-179.1	8.4	44.5	-25	0	0	0	117.8
67	L	29	Very low	32.5	Very low	167 Å²	167	145 Å²	145	87%	0.874	78%	0.782	S	S	*	*			trans	26.5	136.9	143.7	-61	165.3	0	0	0	122.9
68	A	29.4	Very low	31.2	Very low	91 Å²	91	146.2 Å²	146.2	75%	0.752	79%	0.792	S	S	*	*				159.5	140.4	105.4	0	0	0	0	0	117.7
69	M	30.3	Very low	31.3	Very low	193 Å²	193	141.2 Å²	141.2	95%	0.951	79%	0.785	S	S	*	*			trans	63.8	162.2	150	-59.9	-62.9	-106.5	0	0	123.8
70	G	26.1	Very low	32.3	Very low	64 Å²	64	140.2 Å²	140.2	66%	0.66	79%	0.787	S	S	*	*			trans	-153.2	-149.7	168.2	0	0	0	0	0	107.6
71	P	63.5	Low	32.3	Very low	129 Å²	129	138 Å²	138	84%	0.838	79%	0.788	S	S	*	*			cis	-136	-149.3	-12.8	43.1	-23	0	0	0	112.5
72	A	29.9	Very low	32.3	Very low	84 Å²	84	136.3 Å²	136.3	69%	0.694	79%	0.789	S	S	*	*			trans	78.3	161.4	161.9	0	0	0	0	0	117.7
73	Q	33.2	Very low	32.1	Very low	189 Å²	189	133.4 Å²	133.4	88%	0.883	79%	0.785	S	S	*	*			cis	-162	177.3	-24.3	-114	-168.1	92	0	0	111.3
74	A	29.1	Very low	32.2	Very low	98 Å²	98	132.9 Å²	132.9	81%	0.81	78%	0.783	S	S	*	*			trans	75.2	170.9	162.5	0	0	0	0	0	119.8
75	R	33.3	Very low	32.8	Very low	218 Å²	218	126.7 Å²	126.7	82%	0.823	77%	0.773	S	S	*	*				177.2	156.8	-78.6	-173.5	-166.5	-164.9	-152.6	6.1	110.3
76	L	30.5	Very low	33	Very low	131 Å²	131	132 Å²	132	69%	0.686	78%	0.781	S	S	*	*			trans	79.7	156.6	170.2	-45.1	176.4	0	0	0	115.9
77	L	30.4	Very low	32	Very low	143 Å²	143	131.5 Å²	131.5	75%	0.749	78%	0.776	S	S	*	*			cis	-165.6	167.1	-26.6	-109.6	178.3	0	0	0	111.1
78	S	29.6	Very low	31.8	Very low	120 Å²	120	130.5 Å²	130.5	84%	0.839	77%	0.771	S	S	*	*			trans	67.8	162.8	164.6	-56.2	0	0	0	0	117.2
79	G	27.2	Very low	31.6	Very low	69 Å²	69	132.8 Å²	132.8	71%	0.711	77%	0.766	S	S	*	*			cis	-151.2	-171.8	4.5	0	0	0	0	0	113.7
80	P	48.9	Very low	31.3	Very low	126 Å²	126	132.4 Å²	132.4	82%	0.818	76%	0.759	S	S	*	*			trans	-132.2	-166.3	-142.9	45.1	-31.5	0	0	0	118.6
81	S	26	Very low	31.3	Very low	96 Å²	96	137.9 Å²	137.9	67%	0.671	77%	0.767	S	S	*	*			trans	96.2	118	162.1	-66.1	0	0	0	0	117.5
82	Q	28.4	Very low	30.7	Very low	177 Å²	177	135.9 Å²	135.9	83%	0.827	75%	0.754	S	S	*	*				83.1	152.9	80.4	-74	-173.8	-4.5	0	0	112.5
83	E	24.9	Very low	30.6	Very low	173 Å²	173	141.6 Å²	141.6	81%	0.808	76%	0.758	S	S	*	*			cis	-134.1	-164.8	13.6	-76.3	-168.5	87.6	0	0	113.6
84	S	26.4	Very low	30.3	Very low	109 Å²	109	141.5 Å²	141.5	76%	0.762	75%	0.75	S	S	*	*			trans	-153.5	148.9	162.5	-57.2	0	0	0	0	109.1
85	P	42.8	Very low	30.1	Very low	106 Å²	106	143.4 Å²	143.4	69%	0.688	75%	0.745	S	S	*	*				-156.2	145.5	122.1	35.1	-16	0	0	0	118.1
86	Q	29.1	Very low	29.8	Very low	174 Å²	174	142.9 Å²	142.9	81%	0.813	74%	0.743	S	S	*	*			trans	63.8	160.3	132.7	-61.8	179.9	39.8	0	0	120.2
87	T	24.7	Very low	29.8	Very low	104 Å²	104	143.8 Å²	143.8	64%	0.638	74%	0.744	S	S	*	*			cis	-165.2	163	-17.8	25.1	0	0	0	0	111.1
88	L	24.6	Very low	29.8	Very low	147 Å²	147	146.8 Å²	146.8	77%	0.77	75%	0.754	S	S	*	*			trans	66.1	155.5	157.2	-95	75.9	0	0	0	117.7
89	E	25.4	Very low	29.7	Very low	139 Å²	139	144.3 Å²	144.3	65%	0.65	75%	0.748	S	S	*	*			cis	-161.1	174.4	-19.8	-146.9	-173.9	-169.1	0	0	111.1
90	K	24.4	Very low	29.7	Very low	184 Å²	184	147.7 Å²	147.7	80%	0.8	76%	0.755	S	S	*	*			trans	83.6	133.4	157.5	-67	156.6	-176.2	157.9	0	121.2
91	E	25.5	Very low	28.7	Very low	179 Å²	179	147.5 Å²	147.5	84%	0.836	76%	0.757	S	S	*	*			trans	-115.6	-174.4	161.5	-132.7	-154.7	115.8	0	0	105.9
92	P	50.7	Low	28.9	Very low	87 Å²	87	149.4 Å²	149.4	57%	0.565	76%	0.764	S	S	*	*			cis	-138.9	-167.2	-6.7	36.8	-14.5	0	0	0	115.5
93	R	27	Very low	28.9	Very low	205 Å²	205	145.6 Å²	145.6	77%	0.774	76%	0.763	S	S	*	*			trans	80.8	153.7	162.4	-64	174.7	176.2	-168.3	0.6	116.7
94	R	26.9	Very low	29.2	Very low	187 Å²	187	146.5 Å²	146.5	71%	0.706	77%	0.767	S	S	*	*			cis	-159.9	164.6	-0.3	-127.9	-179.3	-157.7	-72.8	10.9	111.1
95	L	25.6	Very low	29.4	Very low	137 Å²	137	147 Å²	147	72%	0.717	77%	0.77	S	S	*	*			trans	67.2	164.3	161.1	-96.7	68.3	0	0	0	116.6
96	R	27.3	Very low	28.7	Very low	207 Å²	207	146 Å²	146	78%	0.781	78%	0.78	S	S	*	*			cis	-136.4	169.5	-2.2	-158.6	169.8	177.9	177.7	1.7	112.2
97	Q	29.7	Very low	28.7	Very low	150 Å²	150	142.7 Å²	142.7	70%	0.701	78%	0.782	S	S	*	*			trans	-55.2	148.9	175.2	-53.5	131.2	-49.6	0	0	114.8
98	Q	30	Very low	29.1	Very low	206 Å²	206	147 Å²	147	96%	0.963	80%	0.795	S	S	*	*				-160.6	161.1	126.4	-108.9	176.9	51.3	0	0	109.8
99	G	27.3	Very low	29.5	Very low	69 Å²	69	144.6 Å²	144.6	71%	0.711	80%	0.796	S	S	*	*			trans	171.9	138	174.5	0	0	0	0	0	112.9
100	T	29	Very low	30.4	Very low	139 Å²	139	143.7 Å²	143.7	85%	0.853	80%	0.803	S	S	*	*			trans	-163	168	177.4	22.9	0	0	0	0	110.6
101	S	26.4	Very low	31.2	Very low	123 Å²	123	138.6 Å²	138.6	86%	0.86	80%	0.802	S	S	*	*			trans	78.2	155.5	168.4	79.9	0	0	0	0	117.7
102	V	31.5	Very low	32.2	Very low	136 Å²	136	140.8 Å²	140.8	82%	0.824	80%	0.802	S	S	*	*			trans	-136.1	138.8	-163.6	172.4	0	0	0	0	108.6
103	A	27.6	Very low	32.2	Very low	97 Å²	97	139.2 Å²	139.2	80%	0.802	80%	0.797	S	S	*	*			trans	-143.9	130.9	164.5	0	0	0	0	0	109.8
104	Q	32.3	Very low	34	Very low	191 Å²	191	131.8 Å²	131.8	89%	0.893	77%	0.771	S	S	*	*			trans	-108.5	110.4	172.8	-72	-176.8	-10.2	0	0	109.9
105	S	28.9	Very low	35.6	Very low	119 Å²	119	129.4 Å²	129.4	83%	0.832	76%	0.762	S	S	*	*			trans	-159.8	130.4	161.5	55.8	0	0	0	0	108.8
106	G	29.2	Very low	37.4	Very low	86 Å²	86	123.2 Å²	123.2	89%	0.887	73%	0.73	S	S	*	*			trans	-89.7	143.1	-164.3	0	0	0	0	0	115.7
107	A	29.5	Very low	38.8	Very low	104 Å²	104	117.7 Å²	117.7	86%	0.86	73%	0.729	S	S	*	*			trans	-147.1	157.4	157	0	0	0	0	0	109.2
108	Q	32.3	Very low	40.2	Very low	195 Å²	195	116.7 Å²	116.7	91%	0.911	72%	0.724	S	S	*	*			trans	-93.4	157.9	-173.3	-64	-178.7	6.5	0	0	113.5
109	A	32.9	Very low	41.8	Very low	96 Å²	96	109.5 Å²	109.5	79%	0.793	70%	0.696	S	S	*	*			trans	84.6	156.7	168.5	0	0	0	0	0	118.4
110	P	44.8	Very low	43.5	Very low	121 Å²	121	115.3 Å²	115.3	79%	0.786	70%	0.696	S	S	*	*			cis	-116.3	151	-35.2	35.6	-24.9	0	0	0	112.2	R112	P110-R112 PolarHBondContact O-N 3.12Å
111	G	41.8	Very low	45	Very low	76 Å²	76	116.7 Å²	116.7	78%	0.784	69%	0.686	S	S	*	*			trans	-60	131	-177.3	0	0	0	0	0	114	A113	G111-A113 PolarHBondContact O-N 2.98Å
112	R	46.4	Very low	47	Very low	225 Å²	225	115.8 Å²	115.8	85%	0.849	67%	0.668	S	S	*	*			trans	-56.5	109.4	-179.1	-69	-174.9	178.3	-167.9	-0.1	111.3	P110 H114	P110-R112 PolarHBondContact O-N 3.12Å; R112-H114 PolarHBondContact O-CD2 2.78Å; R112-H114 VanDerWaalsContact O-CD2 3.3Å; R112-H114 PolarHBondContact O-N 2.74Å; R112-H114 PolarHBondContact O-NE2 2.98Å
113	A	49.5	Very low	49	Very low	55 Å²	55	111.1 Å²	111.1	46%	0.455	64%	0.636	S	S	.	*			trans	-71.4	94.9	-173.9	0	0	0	0	0	112.8	G111 R115 H122	G111-A113 PolarHBondContact O-N 2.98Å; A113-R115 PolarHBondContact O-N 3.45Å; A113-H122 WeakPolarHBondContact CA-CE1 3.32Å; A113-H122 HydrophobicContact CB-CB 4.32Å; A113-H122 WeakPolarHBondContact CB-CE1 3.45Å; A113-H122 WeakPolarHBondContact CB-ND1 3.15Å; A113-H122 PolarHBondContact O-CE1 3.11Å; A113-H122 PolarHBondContact O-ND1 2.92Å
114	H	65.2	Low	50.6	Low	48 Å²	48	113.9 Å²	113.9	22%	0.222	64%	0.643	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-57.3	105.4	-175.3	-59	-75.7	0	0	0	112.5	R112 H122 F123 W126 L129	R112-H114 PolarHBondContact O-CD2 2.78Å; R112-H114 VanDerWaalsContact O-CD2 3.3Å; R112-H114 PolarHBondContact O-N 2.74Å; R112-H114 PolarHBondContact O-NE2 2.98Å; H114-H122 CarbonylContact O-C 3.55Å; H114-F123 PolarHBondContact N-O 3.38Å; H114-F123 VanDerWaalsContact N-O 3.11Å; H114-F123 PolarHBondContact O-N 3.47Å; H114-W126 AromaticContact CE1-CD1 3.25Å; H114-W126 AromaticContact CE1-CE2 3.94Å; H114-W126 AromaticContact CE1-NE1 3.19Å; H114-W126 PolarHBondContact CE1-NE1 3.31Å; H114-W126 AromaticContact ND1-CD1 3.74Å; H114-W126 AromaticContact ND1-CE2 3.8Å; H114-W126 AromaticContact ND1-NE1 3.53Å; H114-W126 AromaticContact NE2-CD1 3.71Å; H114-L129 HydrophobicContact CB-CB 4.34Å; H114-L129 HydrophobicContact CB-CD2 3.94Å
115	R	60.8	Low	52.5	Low	137 Å²	137	105.8 Å²	105.8	52%	0.517	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.1	127.7	-177	-175.5	178.3	-85	-179.3	-2.7	110.9	A113 A117 R120 R121 H122	A113-R115 PolarHBondContact O-N 3.45Å; R115-A117 PolarHBondContact O-N 2.99Å; R115-R120 WeakPolarHBondContact CG-O 3.47Å; R115-R120 PolarHBondContact NE-O 2.83Å; R115-R121 WeakPolarHBondContact CA-O 3.34Å; R115-H122 PolarHBondContact NE-NE2 3.47Å
116	C	64	Low	54.2	Low	7 Å²	7	108.9 Å²	108.9	5%	0.047	61%	0.605	C	S	.	*			trans	-70.7	118.3	170.6	178.9	0	0	0	0	110.6	H118 C119 R120 R121 F123 L129	C116-H118 VanDerWaalsContact C-N 3.26Å; C116-H118 PolarHBondContact O-N 3.39Å; C116-C119 VanDerWaalsContact CB-SG 3.57Å; C116-C119 PolarHBondContact O-N 3.49Å; C116-C119 VanDerWaalsContact SG-SG 3.66Å; C116-R120 VanDerWaalsContact O-CA 3.24Å; C116-R120 WeakPolarHBondContact O-CA 3.35Å; C116-R120 PolarHBondContact O-N 3.4Å; C116-R121 PolarHBondContact N-O 3.49Å; C116-F123 HydrophobicContact CB-CE2 4.08Å; C116-L129 HydrophobicContact CB-CD1 3.59Å
117	A	56.2	Low	56.1	Low	92 Å²	92	110 Å²	110	76%	0.76	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-36.2	-177.7	0	0	0	0	0	113.8	R115	R115-A117 PolarHBondContact O-N 2.99Å
118	H	58.2	Low	57.9	Low	129 Å²	129	107 Å²	107	60%	0.597	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-31.3	-176.8	-99.4	39.3	0	0	0	115.3	C116	C116-H118 VanDerWaalsContact C-N 3.26Å; C116-H118 PolarHBondContact O-N 3.39Å
119	C	64.9	Low	59.6	Low	54 Å²	54	98.7 Å²	98.7	37%	0.365	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	2	-175.1	72.8	0	0	0	0	114	C116 R121 H132	C116-C119 VanDerWaalsContact CB-SG 3.57Å; C116-C119 PolarHBondContact O-N 3.49Å; C116-C119 VanDerWaalsContact SG-SG 3.66Å; C119-R121 PolarHBondContact O-N 3.36Å; C119-R121 VanDerWaalsContact SG-CB 3.54Å; C119-H132 PolarHBondContact SG-NE2 2.97Å
120	R	61.7	Low	61.3	Low	191 Å²	191	100.7 Å²	100.7	72%	0.721	52%	0.519	S	S	*	.			trans	52	12.7	-176.3	-61.6	-174.2	176.9	-171.8	-1.3	115.7	R115 C116	R115-R120 WeakPolarHBondContact CG-O 3.47Å; R115-R120 PolarHBondContact NE-O 2.83Å; C116-R120 VanDerWaalsContact O-CA 3.24Å; C116-R120 WeakPolarHBondContact O-CA 3.35Å; C116-R120 PolarHBondContact O-N 3.4Å
121	R	60.7	Low	62.4	Low	169 Å²	169	100 Å²	100	64%	0.638	51%	0.508	S	S	*	.			trans	-77.7	135.6	177.5	-164.6	171	-172.3	146.3	3.3	110.8	R115 C116 C119 F123	R115-R121 WeakPolarHBondContact CA-O 3.34Å; C116-R121 PolarHBondContact N-O 3.49Å; C119-R121 PolarHBondContact O-N 3.36Å; C119-R121 VanDerWaalsContact SG-CB 3.54Å; R121-F123 HydrophobicContact CB-CE2 4.02Å; R121-F123 HydrophobicContact CB-CZ 4.29Å; R121-F123 HydrophobicContact CG-CE2 4.18Å; R121-F123 HydrophobicContact CG-CZ 4.08Å; R121-F123 WeakPolarHBondContact O-CD2 3.48Å; R121-F123 WeakPolarHBondContact O-CE2 3.35Å
122	H	69.4	Low	63.9	Low	104 Å²	104	98.8 Å²	98.8	48%	0.481	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	149.5	177	-68.5	-85.6	0	0	0	112.4	A113 H114 R115	A113-H122 WeakPolarHBondContact CA-CE1 3.32Å; A113-H122 HydrophobicContact CB-CB 4.32Å; A113-H122 WeakPolarHBondContact CB-CE1 3.45Å; A113-H122 WeakPolarHBondContact CB-ND1 3.15Å; A113-H122 PolarHBondContact O-CE1 3.11Å; A113-H122 PolarHBondContact O-ND1 2.92Å; H114-H122 CarbonylContact O-C 3.55Å; R115-H122 PolarHBondContact NE-NE2 3.47Å
123	F	72.3	Confident	64.6	Low	38 Å²	38	89.4 Å²	89.4	17%	0.167	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.5	176.3	-63.9	-85.6	0	0	0	110	H114 C116 R121 G125 A128 L129 H132	H114-F123 PolarHBondContact N-O 3.38Å; H114-F123 VanDerWaalsContact N-O 3.11Å; H114-F123 PolarHBondContact O-N 3.47Å; C116-F123 HydrophobicContact CB-CE2 4.08Å; R121-F123 HydrophobicContact CB-CE2 4.02Å; R121-F123 HydrophobicContact CB-CZ 4.29Å; R121-F123 HydrophobicContact CG-CE2 4.18Å; R121-F123 HydrophobicContact CG-CZ 4.08Å; R121-F123 WeakPolarHBondContact O-CD2 3.48Å; R121-F123 WeakPolarHBondContact O-CE2 3.35Å; F123-G125 PolarHBondContact O-N 3.06Å; F123-A128 HydrophobicContact CB-CB 4.26Å; F123-A128 HydrophobicContact CD1-CB 4.2Å; F123-L129 HydrophobicContact CB-CB 4.33Å; F123-L129 HydrophobicContact CD2-CB 4.45Å; F123-L129 HydrophobicContact CD2-CD1 4.14Å; F123-H132 HydrophobicContact CE1-CB 3.92Å; F123-H132 AromaticContact CE1-CG 3.91Å; F123-H132 HydrophobicContact CE2-CB 4.05Å; F123-H132 AromaticContact CE2-CD2 3.52Å; F123-H132 AromaticContact CE2-CG 3.75Å; F123-H132 HydrophobicContact CZ-CB 3.63Å; F123-H132 AromaticContact CZ-CD2 3.37Å; F123-H132 WeakPolarHBondContact CZ-CD2 3.45Å; F123-H132 AromaticContact CZ-CE1 3.94Å; F123-H132 AromaticContact CZ-CG 3.21Å; F123-H132 AromaticContact CZ-ND1 3.6Å; F123-H132 AromaticContact CZ-NE2 3.82Å
124	T	60.6	Low	65	Low	154 Å²	154	94.4 Å²	94.4	95%	0.945	46%	0.459	S	S	*	.	S	Bend	trans	-82.4	9.3	-176.5	47.8	0	0	0	0	114.2
125	G	73.2	Confident	64.5	Low	22 Å²	22	101.3 Å²	101.3	23%	0.227	48%	0.483	C	S	.	.	S	Bend	trans	-179.4	155.8	177.1	0	0	0	0	0	113.3	F123 V127 A128 L129	F123-G125 PolarHBondContact O-N 3.06Å; G125-V127 PolarHBondContact O-N 2.95Å; G125-A128 PolarHBondContact O-N 2.9Å; G125-L129 PolarHBondContact O-N 2.91Å; G125-L129 VanDerWaalsContact O-N 3.1Å
126	W	64.8	Low	64.2	Low	183 Å²	183	96 Å²	96	69%	0.693	47%	0.467	S	S	*	.	H	α-helix	trans	-57.7	-39.8	-177.7	-89.2	106	0	0	0	114.1	H114 A128 L129 W130	H114-W126 AromaticContact CE1-CD1 3.25Å; H114-W126 AromaticContact CE1-CE2 3.94Å; H114-W126 AromaticContact CE1-NE1 3.19Å; H114-W126 PolarHBondContact CE1-NE1 3.31Å; H114-W126 AromaticContact ND1-CD1 3.74Å; H114-W126 AromaticContact ND1-CE2 3.8Å; H114-W126 AromaticContact ND1-NE1 3.53Å; H114-W126 AromaticContact NE2-CD1 3.71Å; W126-A128 VanDerWaalsContact C-N 3.35Å; W126-A128 PolarHBondContact O-N 2.89Å; W126-L129 HydrophobicContact CE3-CD2 4.07Å; W126-L129 HydrophobicContact CZ3-CD2 4.11Å; W126-L129 CarbonylContact O-C 3.56Å; W126-L129 WeakPolarHBondContact O-CB 3.43Å; W126-L129 PolarHBondContact O-N 3.35Å; W126-W130 WeakPolarHBondContact O-CB 3.32Å; W126-W130 PolarHBondContact O-N 3.34Å
127	V	68.9	Low	63.6	Low	109 Å²	109	101.6 Å²	101.6	66%	0.661	49%	0.492	S	S	*	.	H	α-helix	trans	-62.9	-41.8	179.8	-178.3	0	0	0	0	111.4	G125 W130 L131	G125-V127 PolarHBondContact O-N 2.95Å; V127-W130 PolarHBondContact O-N 3.33Å; V127-L131 HydrophobicContact CG1-CD1 4.16Å; V127-L131 WeakPolarHBondContact O-CB 3.2Å; V127-L131 WeakPolarHBondContact O-CG 3.3Å; V127-L131 PolarHBondContact O-N 2.88Å
128	A	67	Low	63.1	Low	42 Å²	42	101.3 Å²	101.3	35%	0.347	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-38.8	175.5	0	0	0	0	0	111.9	F123 G125 W126 H132	F123-A128 HydrophobicContact CB-CB 4.26Å; F123-A128 HydrophobicContact CD1-CB 4.2Å; G125-A128 PolarHBondContact O-N 2.9Å; W126-A128 VanDerWaalsContact C-N 3.35Å; W126-A128 PolarHBondContact O-N 2.89Å; A128-H132 VanDerWaalsContact O-CB 3.28Å; A128-H132 WeakPolarHBondContact O-CB 3.25Å; A128-H132 PolarHBondContact O-N 3.45Å
129	L	68.6	Low	62.7	Low	21 Å²	21	105 Å²	105	11%	0.11	50%	0.498	C	S	.	.	H	α-helix	trans	-62.3	-45.1	171.7	171.7	60.3	0	0	0	111.6	H114 C116 F123 G125 W126 H132 A133	H114-L129 HydrophobicContact CB-CB 4.34Å; H114-L129 HydrophobicContact CB-CD2 3.94Å; C116-L129 HydrophobicContact CB-CD1 3.59Å; F123-L129 HydrophobicContact CB-CB 4.33Å; F123-L129 HydrophobicContact CD2-CB 4.45Å; F123-L129 HydrophobicContact CD2-CD1 4.14Å; G125-L129 PolarHBondContact O-N 2.91Å; G125-L129 VanDerWaalsContact O-N 3.1Å; W126-L129 HydrophobicContact CE3-CD2 4.07Å; W126-L129 HydrophobicContact CZ3-CD2 4.11Å; W126-L129 CarbonylContact O-C 3.56Å; W126-L129 WeakPolarHBondContact O-CB 3.43Å; W126-L129 PolarHBondContact O-N 3.35Å; L129-H132 CarbonylContact O-C 3.59Å; L129-H132 PolarHBondContact O-N 2.8Å; L129-A133 VanDerWaalsContact O-CB 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.42Å; L129-A133 PolarHBondContact O-N 3.11Å
130	W	67.7	Low	62.1	Low	138 Å²	138	106.8 Å²	106.8	52%	0.523	50%	0.504	S	S	.	.	H	α-helix	trans	-66.3	-46.4	-176.9	-174.6	91.1	0	0	0	112.3	W126 V127 H132 A133 R134	W126-W130 WeakPolarHBondContact O-CB 3.32Å; W126-W130 PolarHBondContact O-N 3.34Å; V127-W130 PolarHBondContact O-N 3.33Å; W130-H132 VanDerWaalsContact C-N 3.27Å; W130-H132 PolarHBondContact O-N 2.98Å; W130-A133 PolarHBondContact O-N 2.66Å; W130-R134 VanDerWaalsContact CH2-CZ 3.49Å; W130-R134 VanDerWaalsContact CZ2-CZ 3.45Å; W130-R134 PolarHBondContact O-N 3.29Å
131	L	69.6	Low	61.8	Low	105 Å²	105	99.6 Å²	99.6	55%	0.55	48%	0.482	S	S	.	.	H	α-helix	trans	-61.4	-36	172.8	-71	172.1	0	0	0	111.8	V127 R135	V127-L131 HydrophobicContact CG1-CD1 4.16Å; V127-L131 WeakPolarHBondContact O-CB 3.2Å; V127-L131 WeakPolarHBondContact O-CG 3.3Å; V127-L131 PolarHBondContact O-N 2.88Å; L131-R135 WeakPolarHBondContact O-CB 3.23Å; L131-R135 PolarHBondContact O-N 3.3Å
132	H	72.3	Confident	61.8	Low	52 Å²	52	95.1 Å²	95.1	24%	0.241	47%	0.47	C	S	.	.	H	α-helix	trans	-70.4	-42.1	173.1	-172.1	72.2	0	0	0	112.4	C119 F123 A128 L129 W130 R135 C136	C119-H132 PolarHBondContact SG-NE2 2.97Å; F123-H132 HydrophobicContact CE1-CB 3.92Å; F123-H132 AromaticContact CE1-CG 3.91Å; F123-H132 HydrophobicContact CE2-CB 4.05Å; F123-H132 AromaticContact CE2-CD2 3.52Å; F123-H132 AromaticContact CE2-CG 3.75Å; F123-H132 HydrophobicContact CZ-CB 3.63Å; F123-H132 AromaticContact CZ-CD2 3.37Å; F123-H132 WeakPolarHBondContact CZ-CD2 3.45Å; F123-H132 AromaticContact CZ-CE1 3.94Å; F123-H132 AromaticContact CZ-CG 3.21Å; F123-H132 AromaticContact CZ-ND1 3.6Å; F123-H132 AromaticContact CZ-NE2 3.82Å; A128-H132 VanDerWaalsContact O-CB 3.28Å; A128-H132 WeakPolarHBondContact O-CB 3.25Å; A128-H132 PolarHBondContact O-N 3.45Å; L129-H132 CarbonylContact O-C 3.59Å; L129-H132 PolarHBondContact O-N 2.8Å; W130-H132 VanDerWaalsContact C-N 3.27Å; W130-H132 PolarHBondContact O-N 2.98Å; H132-R135 CarbonylContact O-C 3.29Å; H132-R135 PolarHBondContact O-N 3.43Å; H132-R135 VanDerWaalsContact O-N 3.16Å; H132-C136 WeakPolarHBondContact O-CB 3.43Å; H132-C136 PolarHBondContact O-N 2.91Å
133	A	60.9	Low	61	Low	27 Å²	27	93.7 Å²	93.7	22%	0.223	47%	0.47	C	S	.	.	H	α-helix	trans	-62.7	-50.4	-177.2	0	0	0	0	0	111.3	L129 W130 R135 C136 Q137	L129-A133 VanDerWaalsContact O-CB 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.42Å; L129-A133 PolarHBondContact O-N 3.11Å; W130-A133 PolarHBondContact O-N 2.66Å; A133-R135 PolarHBondContact O-N 3.45Å; A133-C136 PolarHBondContact O-N 3.17Å; A133-Q137 WeakPolarHBondContact O-CG 3.49Å; A133-Q137 PolarHBondContact O-N 2.77Å
134	R	58.4	Low	60.4	Low	160 Å²	160	91.9 Å²	91.9	60%	0.604	46%	0.462	S	S	*	.	H	α-helix	trans	-53.4	-41.1	172.3	-81.4	-173.8	157.8	-160.4	-4.4	111.8	W130 A138	W130-R134 VanDerWaalsContact CH2-CZ 3.49Å; W130-R134 VanDerWaalsContact CZ2-CZ 3.45Å; W130-R134 PolarHBondContact O-N 3.29Å; R134-A138 PolarHBondContact O-N 2.96Å
135	R	54.9	Low	60.2	Low	193 Å²	193	89 Å²	89	73%	0.728	45%	0.446	S	S	*	.	H	α-helix	trans	-80.2	-13.6	179.2	-159.2	169.6	-171.4	167.1	5.5	114.5	L131 H132 A133	L131-R135 WeakPolarHBondContact O-CB 3.23Å; L131-R135 PolarHBondContact O-N 3.3Å; H132-R135 CarbonylContact O-C 3.29Å; H132-R135 PolarHBondContact O-N 3.43Å; H132-R135 VanDerWaalsContact O-N 3.16Å; A133-R135 PolarHBondContact O-N 3.45Å
136	C	53.2	Low	59.5	Low	26 Å²	26	92.8 Å²	92.8	18%	0.176	46%	0.458	C	S	.	.	H	α-helix	trans	-93.2	-37.2	177.4	-168.3	0	0	0	0	111.7	H132 A133 A138 R139	H132-C136 WeakPolarHBondContact O-CB 3.43Å; H132-C136 PolarHBondContact O-N 2.91Å; A133-C136 PolarHBondContact O-N 3.17Å; C136-A138 VanDerWaalsContact C-N 3.29Å; C136-A138 PolarHBondContact O-N 2.6Å; C136-R139 PolarHBondContact O-N 3.03Å
137	Q	51.3	Low	59.3	Low	125 Å²	125	86.6 Å²	86.6	58%	0.584	44%	0.442	S	S	*	.	H	α-helix	trans	-59.6	-41.1	170.3	-72.7	167.6	-35.1	0	0	110.9	A133 R139 L140	A133-Q137 WeakPolarHBondContact O-CG 3.49Å; A133-Q137 PolarHBondContact O-N 2.77Å; Q137-R139 PolarHBondContact O-N 3.43Å; Q137-L140 PolarHBondContact O-N 3.28Å
138	A	47.6	Very low	58.8	Low	85 Å²	85	83.7 Å²	83.7	70%	0.702	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	21.2	172.7	0	0	0	0	0	115.5	R134 C136	R134-A138 PolarHBondContact O-N 2.96Å; C136-A138 VanDerWaalsContact C-N 3.29Å; C136-A138 PolarHBondContact O-N 2.6Å
139	R	49.8	Very low	58.2	Low	207 Å²	207	90.1 Å²	90.1	78%	0.781	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	10.5	177.8	-75	-170.5	165.1	-165	-4	115	C136 Q137	C136-R139 PolarHBondContact O-N 3.03Å; Q137-R139 PolarHBondContact O-N 3.43Å
140	L	51.3	Low	57.5	Low	91 Å²	91	96.4 Å²	96.4	48%	0.476	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-68.8	126.9	167.6	-80.7	156.9	0	0	0	110	Q137 L142	Q137-L140 PolarHBondContact O-N 3.28Å; L140-L142 PolarHBondContact O-N 3.33Å
141	P	56.1	Low	56.9	Low	40 Å²	40	92.2 Å²	92.2	26%	0.26	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-75	126.5	175.8	30	-32.6	0	0	0	110.2	R150 F151 R152	P141-R150 HydrophobicContact CB-CB 3.89Å; P141-R150 HydrophobicContact CG-CB 3.91Å; P141-R150 PolarHBondContact O-NE 3.43Å; P141-F151 CarbonylContact C-O 3.58Å; P141-F151 VanDerWaalsContact CA-O 3.24Å; P141-F151 WeakPolarHBondContact CA-O 3.5Å; P141-R152 HydrophobicContact CB-CG 4.33Å
142	L	60.4	Low	55.7	Low	75 Å²	75	97.5 Å²	97.5	39%	0.393	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	121.3	-176.3	-58.8	169.3	0	0	0	110	L140 R150 F151 A154 L157	L140-L142 PolarHBondContact O-N 3.33Å; L142-R150 CarbonylContact O-C 3.32Å; L142-R150 WeakPolarHBondContact O-CA 3.45Å; L142-F151 PolarHBondContact N-O 3.41Å; L142-F151 PolarHBondContact O-N 2.94Å; L142-A154 HydrophobicContact CD1-CB 3.89Å; L142-L157 HydrophobicContact CB-CD2 3.64Å; L142-L157 HydrophobicContact CD1-CD2 4.3Å
143	P	53	Low	54.9	Low	74 Å²	74	100.5 Å²	100.5	48%	0.481	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	144.3	174.6	31.1	-33.5	0	0	0	111.1	R149 R150	P143-R149 CarbonylContact C-O 3.56Å; P143-R149 WeakPolarHBondContact CA-O 2.8Å; P143-R150 HydrophobicContact CB-CG 4.39Å
144	C	59.5	Low	54.4	Low	1 Å²	1	102 Å²	102	1%	0.007	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-77.5	126.1	159	-164.7	0	0	0	0	108.4	E146 G148 R149 F151 L157	C144-E146 VanDerWaalsContact C-N 3.27Å; C144-E146 PolarHBondContact O-N 3.22Å; C144-G148 VanDerWaalsContact O-CA 3.3Å; C144-G148 WeakPolarHBondContact O-CA 3.37Å; C144-G148 PolarHBondContact O-N 3.47Å; C144-R149 PolarHBondContact N-O 3.18Å; C144-F151 HydrophobicContact CB-CE2 4.45Å; C144-L157 HydrophobicContact CB-CD1 3.69Å
145	P	56.7	Low	54	Low	92 Å²	92	98.9 Å²	98.9	60%	0.597	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-32	-178.6	28	-34.3	0	0	0	111.9	C147 R161	P145-C147 PolarHBondContact O-N 2.9Å; P145-R161 VanDerWaalsContact CD-NH2 3.33Å
146	E	57.1	Low	53.7	Low	102 Å²	102	95.6 Å²	95.6	48%	0.477	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.9	-174.2	-60.1	132.2	-98.3	0	0	114.3	C144 R161 H164	C144-E146 VanDerWaalsContact C-N 3.27Å; C144-E146 PolarHBondContact O-N 3.22Å; E146-R161 IonicContact OE1-NE 3.78Å; E146-H164 WeakPolarHBondContact OE2-CB 3.38Å; E146-H164 IonicContact OE2-CD2 3.85Å; E146-H164 IonicContact OE2-CG 3.31Å; E146-H164 VanDerWaalsContact OE2-CG 3.31Å; E146-H164 IonicContact OE2-ND1 3.79Å
147	C	61.7	Low	54.4	Low	53 Å²	53	95 Å²	95	36%	0.358	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.3	10.9	179	68.5	0	0	0	0	115.9	P145 R149 H160 H164	P145-C147 PolarHBondContact O-N 2.9Å; C147-R149 PolarHBondContact O-N 3.08Å; C147-H160 PolarHBondContact SG-NE2 3.15Å; C147-H164 PolarHBondContact SG-NE2 3Å
148	G	57.6	Low	54.6	Low	49 Å²	49	91.7 Å²	91.7	51%	0.505	48%	0.477	S	S	.	.			trans	66.9	-11	177.6	0	0	0	0	0	116.9	C144 R150	C144-G148 VanDerWaalsContact O-CA 3.3Å; C144-G148 WeakPolarHBondContact O-CA 3.37Å; C144-G148 PolarHBondContact O-N 3.47Å; G148-R150 VanDerWaalsContact O-CG 3.32Å; G148-R150 WeakPolarHBondContact O-CG 3.4Å
149	R	53.7	Low	55.1	Low	176 Å²	176	92 Å²	92	66%	0.664	47%	0.466	S	S	*	.			trans	-63.3	135.6	-175.3	-68.3	-176.4	176.5	-155.1	-1.6	111.4	P143 C144 C147 F151	P143-R149 CarbonylContact C-O 3.56Å; P143-R149 WeakPolarHBondContact CA-O 2.8Å; C144-R149 PolarHBondContact N-O 3.18Å; C147-R149 PolarHBondContact O-N 3.08Å; R149-F151 HydrophobicContact CB-CE2 3.64Å; R149-F151 HydrophobicContact CB-CZ 4.11Å; R149-F151 VanDerWaalsContact O-CD2 3.28Å; R149-F151 WeakPolarHBondContact O-CD2 3.47Å; R149-F151 VanDerWaalsContact O-CE2 3.27Å; R149-F151 WeakPolarHBondContact O-CE2 3.5Å
150	R	53.9	Low	55.7	Low	153 Å²	153	83.6 Å²	83.6	58%	0.577	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.4	-167.2	-52	-175.6	71	167.4	8	113.2	P141 L142 P143 G148	P141-R150 HydrophobicContact CB-CB 3.89Å; P141-R150 HydrophobicContact CG-CB 3.91Å; P141-R150 PolarHBondContact O-NE 3.43Å; L142-R150 CarbonylContact O-C 3.32Å; L142-R150 WeakPolarHBondContact O-CA 3.45Å; P143-R150 HydrophobicContact CB-CG 4.39Å; G148-R150 VanDerWaalsContact O-CG 3.32Å; G148-R150 WeakPolarHBondContact O-CG 3.4Å
151	F	56	Low	56.3	Low	51 Å²	51	84.8 Å²	84.8	22%	0.224	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.4	-170.5	-65.3	-96	0	0	0	112.6	P141 L142 C144 R149 H153 F156 L157 H160	P141-F151 CarbonylContact C-O 3.58Å; P141-F151 VanDerWaalsContact CA-O 3.24Å; P141-F151 WeakPolarHBondContact CA-O 3.5Å; L142-F151 PolarHBondContact N-O 3.41Å; L142-F151 PolarHBondContact O-N 2.94Å; C144-F151 HydrophobicContact CB-CE2 4.45Å; R149-F151 HydrophobicContact CB-CE2 3.64Å; R149-F151 HydrophobicContact CB-CZ 4.11Å; R149-F151 VanDerWaalsContact O-CD2 3.28Å; R149-F151 WeakPolarHBondContact O-CD2 3.47Å; R149-F151 VanDerWaalsContact O-CE2 3.27Å; R149-F151 WeakPolarHBondContact O-CE2 3.5Å; F151-H153 VanDerWaalsContact C-N 3.32Å; F151-H153 PolarHBondContact O-N 3.46Å; F151-F156 HydrophobicContact CD1-CB 4.23Å; F151-L157 HydrophobicContact CB-CB 4.16Å; F151-L157 HydrophobicContact CD2-CD1 4Å; F151-L157 HydrophobicContact CG-CB 4.44Å; F151-H160 HydrophobicContact CE1-CB 4.14Å; F151-H160 HydrophobicContact CE2-CB 4.4Å; F151-H160 AromaticContact CE2-CD2 3.07Å; F151-H160 WeakPolarHBondContact CE2-CD2 3.42Å; F151-H160 AromaticContact CE2-CG 3.92Å; F151-H160 AromaticContact CE2-NE2 3.65Å; F151-H160 HydrophobicContact CZ-CB 3.95Å; F151-H160 AromaticContact CZ-CD2 3.11Å; F151-H160 WeakPolarHBondContact CZ-CD2 3.24Å; F151-H160 AromaticContact CZ-CG 3.53Å; F151-H160 AromaticContact CZ-NE2 3.65Å
152	R	44.8	Very low	56.4	Low	216 Å²	216	88.8 Å²	88.8	82%	0.815	45%	0.449	S	S	*	.	S	Bend	trans	-74.9	-13.5	-172.9	-62.6	-173.7	-170.4	-166	2.6	115.3	P141	P141-R152 HydrophobicContact CB-CG 4.33Å
153	H	54.2	Low	56.1	Low	115 Å²	115	87.2 Å²	87.2	53%	0.532	44%	0.442	S	S	.	.	S	Bend	trans	-147.4	140.1	-179.4	-51.7	-70.5	0	0	0	110.7	F151 P155 F156 L157	F151-H153 VanDerWaalsContact C-N 3.32Å; F151-H153 PolarHBondContact O-N 3.46Å; H153-P155 VanDerWaalsContact C-CD 3.48Å; H153-F156 HydrophobicContact CB-CD2 4.12Å; H153-F156 PolarHBondContact O-N 2.78Å; H153-F156 VanDerWaalsContact O-N 3.14Å; H153-L157 PolarHBondContact O-N 2.75Å
154	A	50.6	Low	56.4	Low	58 Å²	58	86.6 Å²	86.6	48%	0.479	43%	0.433	S	S	.	.	H	α-helix	trans	-54.1	-39.9	-177.2	0	0	0	0	0	115.3	L142 F156 L157 A158	L142-A154 HydrophobicContact CD1-CB 3.89Å; A154-F156 PolarHBondContact O-N 3.43Å; A154-L157 PolarHBondContact O-N 2.86Å; A154-A158 PolarHBondContact O-N 2.89Å
155	P	50.8	Low	56.2	Low	94 Å²	94	91 Å²	91	61%	0.61	47%	0.47	S	S	*	.	H	α-helix	trans	-61.1	-29.8	178.9	-26.2	36.4	0	0	0	114.3	H153 L159	H153-P155 VanDerWaalsContact C-CD 3.48Å; P155-L159 WeakPolarHBondContact O-CB 3.5Å; P155-L159 PolarHBondContact O-N 3.45Å; P155-L159 VanDerWaalsContact O-N 3.12Å
156	F	48.8	Very low	56	Low	125 Å²	125	89.6 Å²	89.6	55%	0.548	47%	0.466	S	S	.	.	H	α-helix	trans	-80.5	-25	175.6	-65	-60.8	0	0	0	112.9	F151 H153 A154 H160	F151-F156 HydrophobicContact CD1-CB 4.23Å; H153-F156 HydrophobicContact CB-CD2 4.12Å; H153-F156 PolarHBondContact O-N 2.78Å; H153-F156 VanDerWaalsContact O-N 3.14Å; A154-F156 PolarHBondContact O-N 3.43Å; F156-H160 VanDerWaalsContact O-CB 3.29Å; F156-H160 WeakPolarHBondContact O-CB 3.45Å; F156-H160 PolarHBondContact O-N 2.79Å; F156-H160 VanDerWaalsContact O-N 3.17Å
157	L	66.9	Low	55.4	Low	14 Å²	14	88.4 Å²	88.4	7%	0.073	47%	0.473	C	S	.	.	H	α-helix	trans	-74.6	-40.5	169.8	177.4	57.7	0	0	0	111.2	L142 C144 F151 H153 A154 H160 R161	L142-L157 HydrophobicContact CB-CD2 3.64Å; L142-L157 HydrophobicContact CD1-CD2 4.3Å; C144-L157 HydrophobicContact CB-CD1 3.69Å; F151-L157 HydrophobicContact CB-CB 4.16Å; F151-L157 HydrophobicContact CD2-CD1 4Å; F151-L157 HydrophobicContact CG-CB 4.44Å; H153-L157 PolarHBondContact O-N 2.75Å; A154-L157 PolarHBondContact O-N 2.86Å; L157-H160 PolarHBondContact O-N 3.24Å; L157-H160 VanDerWaalsContact O-N 3.14Å; L157-R161 HydrophobicContact CD1-CG 4.42Å; L157-R161 PolarHBondContact O-N 3.26Å
158	A	56.9	Low	54.5	Low	54 Å²	54	90.4 Å²	90.4	45%	0.446	48%	0.484	S	S	.	.	H	α-helix	trans	-59.7	-49.5	174.9	0	0	0	0	0	111.4	A154 H160 R161 Q162	A154-A158 PolarHBondContact O-N 2.89Å; A158-H160 PolarHBondContact O-N 3.22Å; A158-R161 PolarHBondContact O-N 2.9Å; A158-Q162 WeakPolarHBondContact O-CG 3.27Å; A158-Q162 PolarHBondContact O-N 3Å; A158-Q162 VanDerWaalsContact O-N 3.12Å
159	L	58.1	Low	54.1	Low	91 Å²	91	94.1 Å²	94.1	48%	0.476	50%	0.499	S	S	.	.	H	α-helix	trans	-61.9	-28.6	174.5	-176.3	63.1	0	0	0	113	P155	P155-L159 WeakPolarHBondContact O-CB 3.5Å; P155-L159 PolarHBondContact O-N 3.45Å; P155-L159 VanDerWaalsContact O-N 3.12Å
160	H	62.3	Low	53.8	Low	31 Å²	31	93 Å²	93	14%	0.144	51%	0.506	C	S	.	.	H	α-helix	trans	-77.9	-38.8	176.1	175.3	36.3	0	0	0	112.9	C147 F151 F156 L157 A158 Q162 V163 H164	C147-H160 PolarHBondContact SG-NE2 3.15Å; F151-H160 HydrophobicContact CE1-CB 4.14Å; F151-H160 HydrophobicContact CE2-CB 4.4Å; F151-H160 AromaticContact CE2-CD2 3.07Å; F151-H160 WeakPolarHBondContact CE2-CD2 3.42Å; F151-H160 AromaticContact CE2-CG 3.92Å; F151-H160 AromaticContact CE2-NE2 3.65Å; F151-H160 HydrophobicContact CZ-CB 3.95Å; F151-H160 AromaticContact CZ-CD2 3.11Å; F151-H160 WeakPolarHBondContact CZ-CD2 3.24Å; F151-H160 AromaticContact CZ-CG 3.53Å; F151-H160 AromaticContact CZ-NE2 3.65Å; F156-H160 VanDerWaalsContact O-CB 3.29Å; F156-H160 WeakPolarHBondContact O-CB 3.45Å; F156-H160 PolarHBondContact O-N 2.79Å; F156-H160 VanDerWaalsContact O-N 3.17Å; L157-H160 PolarHBondContact O-N 3.24Å; L157-H160 VanDerWaalsContact O-N 3.14Å; A158-H160 PolarHBondContact O-N 3.22Å; H160-Q162 PolarHBondContact O-N 3.32Å; H160-V163 VanDerWaalsContact O-CB 3.27Å; H160-V163 WeakPolarHBondContact O-CB 3.31Å; H160-V163 PolarHBondContact O-N 3.45Å; H160-H164 AromaticContact CE1-CD2 3.8Å; H160-H164 AromaticContact CE1-NE2 3.39Å; H160-H164 PolarHBondContact CE1-NE2 2.77Å; H160-H164 AromaticContact NE2-NE2 3.71Å
161	R	62.5	Low	53.6	Low	116 Å²	116	92.9 Å²	92.9	44%	0.438	52%	0.516	S	S	.	.	H	α-helix	trans	-60.8	-33.7	171.5	-79.8	177.6	164.1	166.7	-4.6	112.2	P145 E146 L157 A158 V163 H164 A165	P145-R161 VanDerWaalsContact CD-NH2 3.33Å; E146-R161 IonicContact OE1-NE 3.78Å; L157-R161 HydrophobicContact CD1-CG 4.42Å; L157-R161 PolarHBondContact O-N 3.26Å; A158-R161 PolarHBondContact O-N 2.9Å; R161-V163 PolarHBondContact O-N 3.14Å; R161-H164 WeakPolarHBondContact O-CB 3.36Å; R161-H164 PolarHBondContact O-N 3.07Å; R161-A165 PolarHBondContact O-N 2.81Å
162	Q	58.8	Low	53.7	Low	125 Å²	125	92 Å²	92	58%	0.584	52%	0.521	S	S	*	.	H	α-helix	trans	-61.3	-21.5	170.9	-71.3	172.3	-22.1	0	0	113.6	A158 H160 A166	A158-Q162 WeakPolarHBondContact O-CG 3.27Å; A158-Q162 PolarHBondContact O-N 3Å; A158-Q162 VanDerWaalsContact O-N 3.12Å; H160-Q162 PolarHBondContact O-N 3.32Å; Q162-A166 WeakPolarHBondContact O-CB 3.29Å; Q162-A166 PolarHBondContact O-N 2.94Å
163	V	55.2	Low	54.3	Low	42 Å²	42	85 Å²	85	26%	0.255	50%	0.497	S	S	.	.	H	α-helix	trans	-77.3	-30.2	172.6	-174.8	0	0	0	0	111.7	H160 R161 F173	H160-V163 VanDerWaalsContact O-CB 3.27Å; H160-V163 WeakPolarHBondContact O-CB 3.31Å; H160-V163 PolarHBondContact O-N 3.45Å; R161-V163 PolarHBondContact O-N 3.14Å; V163-F173 HydrophobicContact CG1-CE1 4.25Å; V163-F173 HydrophobicContact CG1-CZ 4.38Å
164	H	58.9	Low	54.3	Low	61 Å²	61	82.6 Å²	82.6	28%	0.282	50%	0.497	S	S	.	.	H	α-helix	trans	-76	-43.3	172.1	-71.9	-92.9	0	0	0	111.2	E146 C147 H160 R161 A166 A167	E146-H164 WeakPolarHBondContact OE2-CB 3.38Å; E146-H164 IonicContact OE2-CD2 3.85Å; E146-H164 IonicContact OE2-CG 3.31Å; E146-H164 VanDerWaalsContact OE2-CG 3.31Å; E146-H164 IonicContact OE2-ND1 3.79Å; C147-H164 PolarHBondContact SG-NE2 3Å; H160-H164 AromaticContact CE1-CD2 3.8Å; H160-H164 AromaticContact CE1-NE2 3.39Å; H160-H164 PolarHBondContact CE1-NE2 2.77Å; H160-H164 AromaticContact NE2-NE2 3.71Å; R161-H164 WeakPolarHBondContact O-CB 3.36Å; R161-H164 PolarHBondContact O-N 3.07Å; H164-A166 PolarHBondContact O-N 2.84Å; H164-A166 VanDerWaalsContact O-N 3.15Å; H164-A167 VanDerWaalsContact O-CB 3.28Å; H164-A167 WeakPolarHBondContact O-CB 3.35Å; H164-A167 PolarHBondContact O-N 2.94Å
165	A	55.3	Low	54.7	Low	94 Å²	94	79.8 Å²	79.8	78%	0.777	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.7	176.9	0	0	0	0	0	114.3	R161	R161-A165 PolarHBondContact O-N 2.81Å
166	A	52.2	Low	54.7	Low	62 Å²	62	82.7 Å²	82.7	51%	0.512	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	9	175	0	0	0	0	0	113.5	Q162 H164 T168	Q162-A166 WeakPolarHBondContact O-CB 3.29Å; Q162-A166 PolarHBondContact O-N 2.94Å; H164-A166 PolarHBondContact O-N 2.84Å; H164-A166 VanDerWaalsContact O-N 3.15Å; A166-T168 PolarHBondContact O-N 3.25Å
167	A	43.9	Very low	54.9	Low	77 Å²	77	81.7 Å²	81.7	64%	0.636	48%	0.479	S	S	*	.			trans	-91.5	59.2	-174.8	0	0	0	0	0	113.2	H164	H164-A167 VanDerWaalsContact O-CB 3.28Å; H164-A167 WeakPolarHBondContact O-CB 3.35Å; H164-A167 PolarHBondContact O-N 2.94Å
168	T	44.2	Very low	54.5	Low	95 Å²	95	83.7 Å²	83.7	58%	0.583	49%	0.493	S	S	*	.			trans	-80.6	145.3	152.5	50.1	0	0	0	0	108.9	A166 D170	A166-T168 PolarHBondContact O-N 3.25Å; T168-D170 PolarHBondContact O-N 2.87Å
169	P	48.7	Very low	54.5	Low	126 Å²	126	84 Å²	84	82%	0.818	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-32.1	-159.8	-25.7	36.7	0	0	0	116.2
170	D	47.1	Very low	54.4	Low	153 Å²	153	84.8 Å²	84.8	82%	0.818	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-6.6	-162.9	-70.5	-73.3	0	0	0	116.4	T168 G172	T168-D170 PolarHBondContact O-N 2.87Å; D170-G172 PolarHBondContact O-N 3.34Å
171	L	50.3	Low	54.4	Low	150 Å²	150	87.6 Å²	87.6	79%	0.785	53%	0.526	S	S	*	.			trans	-94.1	85.9	177.8	-73.3	175	0	0	0	112.1
172	G	56.6	Low	54.2	Low	32 Å²	32	84 Å²	84	33%	0.33	51%	0.513	S	S	.	.			trans	-56.2	139.3	177	0	0	0	0	0	113.9	D170 A174 F182	D170-G172 PolarHBondContact O-N 3.34Å; G172-A174 PolarHBondContact O-N 3.39Å; G172-F182 CarbonylContact C-O 3.54Å
173	F	58.9	Low	53.9	Low	71 Å²	71	90.4 Å²	90.4	31%	0.311	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	103.7	-172.6	-64.1	-83.8	0	0	0	113.6	V163 F182 W185 L188	V163-F173 HydrophobicContact CG1-CE1 4.25Å; V163-F173 HydrophobicContact CG1-CZ 4.38Å; F173-F182 PolarHBondContact N-O 3.3Å; F173-F182 PolarHBondContact O-N 3.23Å; F173-W185 AromaticContact CD1-CE3 3.72Å; F173-W185 HydrophobicContact CD1-CE3 3.72Å; F173-W185 HydrophobicContact CD1-CZ3 4.39Å; F173-W185 HydrophobicContact CD2-CB 4.49Å; F173-W185 HydrophobicContact CE1-CB 4.39Å; F173-W185 AromaticContact CE1-CE3 3.89Å; F173-W185 HydrophobicContact CE1-CE3 3.89Å; F173-W185 HydrophobicContact CE2-CB 4.27Å; F173-W185 HydrophobicContact CG-CE3 4.48Å; F173-W185 HydrophobicContact CZ-CB 4.21Å; F173-L188 HydrophobicContact CB-CB 4.16Å; F173-L188 HydrophobicContact CB-CD2 3.79Å
174	A	53.9	Low	53.9	Low	63 Å²	63	89.6 Å²	89.6	52%	0.521	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	142.5	-176.3	0	0	0	0	0	114	G172 H176 Q180	G172-A174 PolarHBondContact O-N 3.39Å; A174-H176 PolarHBondContact O-N 2.9Å; A174-Q180 CarbonylContact C-O 3.58Å; A174-Q180 WeakPolarHBondContact CA-O 3.05Å
175	C	57.9	Low	53.7	Low	0 Å²	0	92.5 Å²	92.5	0%	0	54%	0.541	C	S	.	.			trans	-85.7	102	174.1	-174.3	0	0	0	0	111	L177 C178 G179 Q180 F182 L188 H191 L192	C175-L177 PolarHBondContact O-N 3.16Å; C175-C178 VanDerWaalsContact CB-SG 3.54Å; C175-C178 PolarHBondContact O-N 2.91Å; C175-G179 PolarHBondContact O-N 3.3Å; C175-Q180 WeakPolarHBondContact CB-O 3.31Å; C175-Q180 PolarHBondContact N-O 3.3Å; C175-F182 HydrophobicContact CB-CE2 4.12Å; C175-L188 HydrophobicContact CB-CD1 3.66Å; C175-H191 PolarHBondContact SG-CD2 3.04Å; C175-H191 PolarHBondContact SG-NE2 3.13Å; C175-L192 VanDerWaalsContact SG-CD2 3.53Å
176	H	52.4	Low	53.7	Low	154 Å²	154	93.2 Å²	93.2	71%	0.713	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-0.7	175.6	69.8	-82.9	0	0	0	116.3	A174	A174-H176 PolarHBondContact O-N 2.9Å
177	L	51.4	Low	54	Low	105 Å²	105	92.2 Å²	92.2	55%	0.55	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-10.9	176.7	-60.2	176.1	0	0	0	113.8	C175 L192 H195	C175-L177 PolarHBondContact O-N 3.16Å; L177-L192 HydrophobicContact CD1-CD2 4.03Å; L177-H195 HydrophobicContact CD1-CB 4.37Å
178	C	58.3	Low	55	Low	56 Å²	56	89 Å²	89	38%	0.378	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.4	3.7	-175.6	69.3	0	0	0	0	115.3	C175 Q180 H191	C175-C178 VanDerWaalsContact CB-SG 3.54Å; C175-C178 PolarHBondContact O-N 2.91Å; C178-Q180 PolarHBondContact O-N 2.76Å; C178-Q180 VanDerWaalsContact O-N 3.12Å; C178-H191 PolarHBondContact SG-NE2 3.48Å
179	G	57.2	Low	55.7	Low	60 Å²	60	86.3 Å²	86.3	62%	0.619	48%	0.483	S	S	*	.			trans	78.2	-20.8	179.2	0	0	0	0	0	116	C175 S181	C175-G179 PolarHBondContact O-N 3.3Å; G179-S181 PolarHBondContact O-N 3.27Å
180	Q	57.1	Low	56.3	Low	108 Å²	108	85.2 Å²	85.2	51%	0.505	47%	0.469	S	S	.	.			trans	-59.8	128.9	-173.1	-65.6	-176.6	-6.4	0	0	112.9	A174 C175 C178 F182 H191	A174-Q180 CarbonylContact C-O 3.58Å; A174-Q180 WeakPolarHBondContact CA-O 3.05Å; C175-Q180 WeakPolarHBondContact CB-O 3.31Å; C175-Q180 PolarHBondContact N-O 3.3Å; C178-Q180 PolarHBondContact O-N 2.76Å; C178-Q180 VanDerWaalsContact O-N 3.12Å; Q180-F182 HydrophobicContact CB-CE2 3.68Å; Q180-F182 HydrophobicContact CB-CZ 3.83Å; Q180-F182 WeakPolarHBondContact O-CD2 3.43Å; Q180-F182 VanDerWaalsContact O-CE2 3.23Å; Q180-F182 WeakPolarHBondContact O-CE2 3.48Å; Q180-H191 PolarHBondContact OE1-CE1 3.4Å
181	S	61.1	Low	57.1	Low	90 Å²	90	79.5 Å²	79.5	63%	0.629	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	141.8	178.4	55.7	0	0	0	0	112	G179	G179-S181 PolarHBondContact O-N 3.27Å
182	F	58.1	Low	57.5	Low	39 Å²	39	74.6 Å²	74.6	17%	0.171	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.5	-175.9	-65.5	-83.9	0	0	0	111.6	G172 F173 C175 Q180 G184 A187 L188 H191	G172-F182 CarbonylContact C-O 3.54Å; F173-F182 PolarHBondContact N-O 3.3Å; F173-F182 PolarHBondContact O-N 3.23Å; C175-F182 HydrophobicContact CB-CE2 4.12Å; Q180-F182 HydrophobicContact CB-CE2 3.68Å; Q180-F182 HydrophobicContact CB-CZ 3.83Å; Q180-F182 WeakPolarHBondContact O-CD2 3.43Å; Q180-F182 VanDerWaalsContact O-CE2 3.23Å; Q180-F182 WeakPolarHBondContact O-CE2 3.48Å; F182-G184 PolarHBondContact O-N 2.91Å; F182-A187 HydrophobicContact CB-CB 4.13Å; F182-A187 HydrophobicContact CD1-CB 4.04Å; F182-A187 HydrophobicContact CG-CB 4.41Å; F182-L188 HydrophobicContact CB-CB 4.17Å; F182-L188 HydrophobicContact CD2-CB 4.15Å; F182-L188 HydrophobicContact CD2-CD1 3.82Å; F182-L188 HydrophobicContact CE2-CD1 4.19Å; F182-L188 HydrophobicContact CG-CB 4.33Å; F182-H191 HydrophobicContact CE1-CB 4.01Å; F182-H191 HydrophobicContact CE2-CB 4.04Å; F182-H191 AromaticContact CE2-CD2 3.52Å; F182-H191 AromaticContact CE2-CG 3.62Å; F182-H191 AromaticContact CE2-NE2 3.93Å; F182-H191 HydrophobicContact CZ-CB 3.67Å; F182-H191 AromaticContact CZ-CD2 3.65Å; F182-H191 AromaticContact CZ-CE1 3.78Å; F182-H191 AromaticContact CZ-CG 3.28Å; F182-H191 AromaticContact CZ-ND1 3.38Å; F182-H191 WeakPolarHBondContact CZ-ND1 3.29Å; F182-H191 AromaticContact CZ-NE2 3.97Å
183	R	52.7	Low	57.5	Low	260 Å²	260	80.4 Å²	80.4	98%	0.981	42%	0.424	S	S	*	.	S	Bend	trans	-72.6	60.7	171.6	-69.6	-175.1	172.4	-179.7	-3.2	111.6
184	G	55.3	Low	57.4	Low	25 Å²	25	79.8 Å²	79.8	26%	0.258	43%	0.432	S	S	.	.	S	Bend	trans	140.5	137.2	171.7	0	0	0	0	0	114.7	F182 V186 A187 L188	F182-G184 PolarHBondContact O-N 2.91Å; G184-V186 PolarHBondContact O-N 3.32Å; G184-V186 VanDerWaalsContact O-N 3.13Å; G184-A187 WeakPolarHBondContact O-CB 3.47Å; G184-A187 PolarHBondContact O-N 3.48Å; G184-L188 PolarHBondContact O-N 2.82Å
185	W	54.8	Low	57.5	Low	123 Å²	123	80.2 Å²	80.2	47%	0.466	42%	0.423	S	S	.	.	H	α-helix	trans	-53.9	-33.6	-179.9	-179.4	-103	0	0	0	114.2	F173 L188 V189	F173-W185 AromaticContact CD1-CE3 3.72Å; F173-W185 HydrophobicContact CD1-CE3 3.72Å; F173-W185 HydrophobicContact CD1-CZ3 4.39Å; F173-W185 HydrophobicContact CD2-CB 4.49Å; F173-W185 HydrophobicContact CE1-CB 4.39Å; F173-W185 AromaticContact CE1-CE3 3.89Å; F173-W185 HydrophobicContact CE1-CE3 3.89Å; F173-W185 HydrophobicContact CE2-CB 4.27Å; F173-W185 HydrophobicContact CG-CE3 4.48Å; F173-W185 HydrophobicContact CZ-CB 4.21Å; W185-L188 HydrophobicContact CE3-CD2 4.45Å; W185-L188 HydrophobicContact CZ3-CD2 4.45Å; W185-L188 PolarHBondContact O-N 2.95Å; W185-V189 HydrophobicContact CD2-CG2 4.25Å; W185-V189 HydrophobicContact CG-CG2 4.38Å; W185-V189 HydrophobicContact CZ2-CG2 4.26Å; W185-V189 WeakPolarHBondContact O-CB 3.44Å; W185-V189 VanDerWaalsContact O-CG2 3.28Å; W185-V189 WeakPolarHBondContact O-CG2 3.47Å; W185-V189 PolarHBondContact O-N 3Å
186	V	56.4	Low	57.3	Low	108 Å²	108	84.3 Å²	84.3	66%	0.655	45%	0.452	S	S	*	.	H	α-helix	trans	-66.2	-39.7	178.4	-179.1	0	0	0	0	111.4	G184 V189 L190	G184-V186 PolarHBondContact O-N 3.32Å; G184-V186 VanDerWaalsContact O-N 3.13Å; V186-V189 PolarHBondContact O-N 2.88Å; V186-L190 HydrophobicContact CG1-CD1 4.23Å; V186-L190 WeakPolarHBondContact O-CG 3.31Å; V186-L190 PolarHBondContact O-N 3.15Å
187	A	58.7	Low	57	Low	42 Å²	42	80.1 Å²	80.1	35%	0.347	44%	0.444	S	S	.	.	H	α-helix	trans	-66.6	-46.9	176.1	0	0	0	0	0	110.9	F182 G184 V189 L190 H191	F182-A187 HydrophobicContact CB-CB 4.13Å; F182-A187 HydrophobicContact CD1-CB 4.04Å; F182-A187 HydrophobicContact CG-CB 4.41Å; G184-A187 WeakPolarHBondContact O-CB 3.47Å; G184-A187 PolarHBondContact O-N 3.48Å; A187-V189 VanDerWaalsContact C-N 3.32Å; A187-V189 PolarHBondContact O-N 2.82Å; A187-L190 PolarHBondContact O-N 2.8Å; A187-L190 VanDerWaalsContact O-N 3.14Å; A187-H191 WeakPolarHBondContact O-CB 3.33Å; A187-H191 PolarHBondContact O-N 2.92Å
188	L	64.3	Low	56.8	Low	9 Å²	9	78.3 Å²	78.3	5%	0.047	44%	0.444	C	S	.	.	H	α-helix	trans	-57.8	-42.3	173.6	176.8	61.9	0	0	0	111.8	F173 C175 F182 G184 W185 L190 H191 L192	F173-L188 HydrophobicContact CB-CB 4.16Å; F173-L188 HydrophobicContact CB-CD2 3.79Å; C175-L188 HydrophobicContact CB-CD1 3.66Å; F182-L188 HydrophobicContact CB-CB 4.17Å; F182-L188 HydrophobicContact CD2-CB 4.15Å; F182-L188 HydrophobicContact CD2-CD1 3.82Å; F182-L188 HydrophobicContact CE2-CD1 4.19Å; F182-L188 HydrophobicContact CG-CB 4.33Å; G184-L188 PolarHBondContact O-N 2.82Å; W185-L188 HydrophobicContact CE3-CD2 4.45Å; W185-L188 HydrophobicContact CZ3-CD2 4.45Å; W185-L188 PolarHBondContact O-N 2.95Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L188-L190 PolarHBondContact O-N 2.85Å; L188-H191 PolarHBondContact O-N 3.36Å; L188-L192 HydrophobicContact CD1-CD1 3.9Å; L188-L192 HydrophobicContact CD1-CG 3.85Å; L188-L192 HydrophobicContact CD2-CD1 4.31Å; L188-L192 HydrophobicContact CG-CD1 3.79Å; L188-L192 HydrophobicContact CG-CG 4.21Å; L188-L192 WeakPolarHBondContact O-CB 3.19Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å; L188-L192 PolarHBondContact O-N 3.29Å
189	V	58.5	Low	56.4	Low	39 Å²	39	82.1 Å²	82.1	24%	0.236	45%	0.454	C	S	.	.	H	α-helix	trans	-67.7	-32.2	178.3	167.4	0	0	0	0	112.4	W185 V186 A187 R193	W185-V189 HydrophobicContact CD2-CG2 4.25Å; W185-V189 HydrophobicContact CG-CG2 4.38Å; W185-V189 HydrophobicContact CZ2-CG2 4.26Å; W185-V189 WeakPolarHBondContact O-CB 3.44Å; W185-V189 VanDerWaalsContact O-CG2 3.28Å; W185-V189 WeakPolarHBondContact O-CG2 3.47Å; W185-V189 PolarHBondContact O-N 3Å; V186-V189 PolarHBondContact O-N 2.88Å; A187-V189 VanDerWaalsContact C-N 3.32Å; A187-V189 PolarHBondContact O-N 2.82Å; V189-R193 WeakPolarHBondContact O-CB 3.39Å; V189-R193 WeakPolarHBondContact O-CD 3.43Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 2.97Å; V189-R193 VanDerWaalsContact O-N 3.08Å
190	L	60.9	Low	56.3	Low	102 Å²	102	90.3 Å²	90.3	53%	0.534	47%	0.466	S	S	.	.	H	α-helix	trans	-72	-40.5	172.7	-71.7	170	0	0	0	111.7	V186 A187 L188 R193 A194	V186-L190 HydrophobicContact CG1-CD1 4.23Å; V186-L190 WeakPolarHBondContact O-CG 3.31Å; V186-L190 PolarHBondContact O-N 3.15Å; A187-L190 PolarHBondContact O-N 2.8Å; A187-L190 VanDerWaalsContact O-N 3.14Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L188-L190 PolarHBondContact O-N 2.85Å; L190-R193 CarbonylContact O-C 3.47Å; L190-R193 WeakPolarHBondContact O-CA 3.25Å; L190-R193 WeakPolarHBondContact O-CB 3.42Å; L190-R193 PolarHBondContact O-N 3.38Å; L190-A194 PolarHBondContact O-N 3.04Å
191	H	64.6	Low	56.2	Low	33 Å²	33	86.8 Å²	86.8	15%	0.153	45%	0.452	C	S	.	.	H	α-helix	trans	-66.7	-45.1	175.5	171.8	87.1	0	0	0	112.7	C175 C178 Q180 F182 A187 L188 R193 A194 H195	C175-H191 PolarHBondContact SG-CD2 3.04Å; C175-H191 PolarHBondContact SG-NE2 3.13Å; C178-H191 PolarHBondContact SG-NE2 3.48Å; Q180-H191 PolarHBondContact OE1-CE1 3.4Å; F182-H191 HydrophobicContact CE1-CB 4.01Å; F182-H191 HydrophobicContact CE2-CB 4.04Å; F182-H191 AromaticContact CE2-CD2 3.52Å; F182-H191 AromaticContact CE2-CG 3.62Å; F182-H191 AromaticContact CE2-NE2 3.93Å; F182-H191 HydrophobicContact CZ-CB 3.67Å; F182-H191 AromaticContact CZ-CD2 3.65Å; F182-H191 AromaticContact CZ-CE1 3.78Å; F182-H191 AromaticContact CZ-CG 3.28Å; F182-H191 AromaticContact CZ-ND1 3.38Å; F182-H191 WeakPolarHBondContact CZ-ND1 3.29Å; F182-H191 AromaticContact CZ-NE2 3.97Å; A187-H191 WeakPolarHBondContact O-CB 3.33Å; A187-H191 PolarHBondContact O-N 2.92Å; L188-H191 PolarHBondContact O-N 3.36Å; H191-R193 PolarHBondContact O-N 2.89Å; H191-A194 WeakPolarHBondContact O-CA 3.23Å; H191-A194 VanDerWaalsContact O-CB 3.28Å; H191-A194 WeakPolarHBondContact O-CB 3.32Å; H191-A194 PolarHBondContact O-N 3.2Å; H191-H195 AromaticContact CD2-CD2 3.79Å; H191-H195 AromaticContact CE1-CD2 3.88Å; H191-H195 AromaticContact CE1-NE2 3.6Å; H191-H195 AromaticContact NE2-CD2 3.32Å; H191-H195 PolarHBondContact NE2-CD2 3.04Å; H191-H195 VanDerWaalsContact NE2-CD2 3.32Å; H191-H195 AromaticContact NE2-NE2 3.15Å; H191-H195 PolarHBondContact NE2-NE2 2.61Å; H191-H195 VanDerWaalsContact NE2-NE2 3.15Å; H191-H195 PolarHBondContact O-N 3.07Å
192	L	57.6	Low	56.1	Low	47 Å²	47	85.5 Å²	85.5	25%	0.246	44%	0.438	C	S	.	.	H	α-helix	trans	-61.3	-31	170.7	-73.7	171.7	0	0	0	112	C175 L177 L188 S196	C175-L192 VanDerWaalsContact SG-CD2 3.53Å; L177-L192 HydrophobicContact CD1-CD2 4.03Å; L188-L192 HydrophobicContact CD1-CD1 3.9Å; L188-L192 HydrophobicContact CD1-CG 3.85Å; L188-L192 HydrophobicContact CD2-CD1 4.31Å; L188-L192 HydrophobicContact CG-CD1 3.79Å; L188-L192 HydrophobicContact CG-CG 4.21Å; L188-L192 WeakPolarHBondContact O-CB 3.19Å; L188-L192 WeakPolarHBondContact O-CG 3.48Å; L188-L192 PolarHBondContact O-N 3.29Å; L192-S196 PolarHBondContact O-N 3.3Å
193	R	57.8	Low	56	Low	154 Å²	154	85.9 Å²	85.9	58%	0.581	45%	0.449	S	S	*	.	H	α-helix	trans	-68.5	-35.3	170	-78.7	168.4	-174.8	-177	5.1	112.2	V189 L190 H191 S196 A197	V189-R193 WeakPolarHBondContact O-CB 3.39Å; V189-R193 WeakPolarHBondContact O-CD 3.43Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 2.97Å; V189-R193 VanDerWaalsContact O-N 3.08Å; L190-R193 CarbonylContact O-C 3.47Å; L190-R193 WeakPolarHBondContact O-CA 3.25Å; L190-R193 WeakPolarHBondContact O-CB 3.42Å; L190-R193 PolarHBondContact O-N 3.38Å; H191-R193 PolarHBondContact O-N 2.89Å; R193-S196 WeakPolarHBondContact CA-OG 3.33Å; R193-S196 CarbonylContact O-C 3.58Å; R193-S196 WeakPolarHBondContact O-CA 3.34Å; R193-S196 PolarHBondContact O-N 2.89Å; R193-S196 VanDerWaalsContact O-N 3.14Å; R193-S196 PolarHBondContact O-OG 3.19Å; R193-A197 WeakPolarHBondContact O-CB 3.26Å; R193-A197 PolarHBondContact O-N 3.27Å
194	A	55.6	Low	56.3	Low	58 Å²	58	73.5 Å²	73.5	48%	0.479	40%	0.402	S	S	.	.	H	α-helix	trans	-63.1	-45.8	172.1	0	0	0	0	0	111.5	L190 H191 S196 A197 A198	L190-A194 PolarHBondContact O-N 3.04Å; H191-A194 WeakPolarHBondContact O-CA 3.23Å; H191-A194 VanDerWaalsContact O-CB 3.28Å; H191-A194 WeakPolarHBondContact O-CB 3.32Å; H191-A194 PolarHBondContact O-N 3.2Å; A194-S196 PolarHBondContact O-N 3.01Å; A194-A197 WeakPolarHBondContact O-CA 3.44Å; A194-A197 WeakPolarHBondContact O-CB 3.45Å; A194-A197 PolarHBondContact O-N 2.97Å; A194-A198 PolarHBondContact O-N 3.26Å
195	H	56.9	Low	56.4	Low	72 Å²	72	78 Å²	78	33%	0.333	43%	0.427	S	S	.	.	H	α-helix	trans	-55.6	-37.6	169	-81.9	-75.7	0	0	0	112.4	L177 H191	L177-H195 HydrophobicContact CD1-CB 4.37Å; H191-H195 AromaticContact CD2-CD2 3.79Å; H191-H195 AromaticContact CE1-CD2 3.88Å; H191-H195 AromaticContact CE1-NE2 3.6Å; H191-H195 AromaticContact NE2-CD2 3.32Å; H191-H195 PolarHBondContact NE2-CD2 3.04Å; H191-H195 VanDerWaalsContact NE2-CD2 3.32Å; H191-H195 AromaticContact NE2-NE2 3.15Å; H191-H195 PolarHBondContact NE2-NE2 2.61Å; H191-H195 VanDerWaalsContact NE2-NE2 3.15Å; H191-H195 PolarHBondContact O-N 3.07Å
196	S	53.6	Low	56.4	Low	86 Å²	86	80.3 Å²	80.3	60%	0.601	44%	0.44	S	S	*	.	H	α-helix	trans	-75.1	-20	175	85.5	0	0	0	0	114.7	L192 R193 A194	L192-S196 PolarHBondContact O-N 3.3Å; R193-S196 WeakPolarHBondContact CA-OG 3.33Å; R193-S196 CarbonylContact O-C 3.58Å; R193-S196 WeakPolarHBondContact O-CA 3.34Å; R193-S196 PolarHBondContact O-N 2.89Å; R193-S196 VanDerWaalsContact O-N 3.14Å; R193-S196 PolarHBondContact O-OG 3.19Å; A194-S196 PolarHBondContact O-N 3.01Å
197	A	45.6	Very low	56.8	Low	66 Å²	66	77.7 Å²	77.7	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-84.2	-32.3	177	0	0	0	0	0	111.6	R193 A194 K199	R193-A197 WeakPolarHBondContact O-CB 3.26Å; R193-A197 PolarHBondContact O-N 3.27Å; A194-A197 WeakPolarHBondContact O-CA 3.44Å; A194-A197 WeakPolarHBondContact O-CB 3.45Å; A194-A197 PolarHBondContact O-N 2.97Å; A197-K199 WeakPolarHBondContact O-CG 3.47Å; A197-K199 PolarHBondContact O-N 3.22Å
198	A	46.7	Very low	56.7	Low	67 Å²	67	83.3 Å²	83.3	55%	0.554	45%	0.445	S	S	*	.	S	Bend	trans	-69.3	72.5	163.7	0	0	0	0	0	110.5	A194 R200	A194-A198 PolarHBondContact O-N 3.26Å; A198-R200 PolarHBondContact O-N 2.68Å
199	K	50.1	Low	56.3	Low	136 Å²	136	91.2 Å²	91.2	59%	0.591	47%	0.474	S	S	*	.			trans	-62.6	84.8	-172.3	-51.1	-179	-155.5	73.6	0	112.6	A197 P201 W212	A197-K199 WeakPolarHBondContact O-CG 3.47Å; A197-K199 PolarHBondContact O-N 3.22Å; K199-P201 WeakPolarHBondContact O-CD 3.37Å; K199-W212 HydrophobicContact CB-CE3 3.76Å; K199-W212 HydrophobicContact CB-CZ3 3.91Å; K199-W212 HydrophobicContact CD-CE3 4.15Å; K199-W212 WeakPolarHBondContact O-CZ3 3.36Å
200	R	55	Low	56.2	Low	233 Å²	233	98 Å²	98	88%	0.879	50%	0.495	S	S	*	.			trans	-64.4	124.4	163.1	-72	-167.8	174.6	-156.5	-1.6	108.6	A198 I202	A198-R200 PolarHBondContact O-N 2.68Å; R200-I202 PolarHBondContact O-N 2.68Å
201	P	55.3	Low	56.3	Low	33 Å²	33	95.1 Å²	95.1	21%	0.214	48%	0.478	C	S	.	.			trans	-68.2	132.9	-177.7	-21.2	33.6	0	0	0	111.5	K199 A203 R210 W212	K199-P201 WeakPolarHBondContact O-CD 3.37Å; P201-A203 PolarHBondContact O-N 2.97Å; P201-R210 HydrophobicContact CB-CB 3.55Å; P201-R210 HydrophobicContact CB-CG 3.85Å; P201-R210 HydrophobicContact CG-CB 4.45Å; P201-W212 HydrophobicContact CG-CD2 4.31Å; P201-W212 HydrophobicContact CG-CE3 4.15Å; P201-W212 HydrophobicContact CG-CH2 3.7Å; P201-W212 HydrophobicContact CG-CZ2 3.83Å; P201-W212 HydrophobicContact CG-CZ3 3.86Å
202	I	60.3	Low	55.6	Low	64 Å²	64	101.2 Å²	101.2	33%	0.328	50%	0.5	S	S	.	.	B	Isolated β-bridge	trans	-81.4	111.1	-178.7	-42.8	172.9	0	0	0	108.5	R200 F211 R214 L217	R200-I202 PolarHBondContact O-N 2.68Å; I202-F211 PolarHBondContact N-O 2.91Å; I202-F211 PolarHBondContact O-N 3.07Å; I202-R214 HydrophobicContact CD1-CG 3.58Å; I202-L217 HydrophobicContact CB-CD2 4.09Å; I202-L217 HydrophobicContact CG2-CD2 3.55Å
203	A	55.7	Low	55.4	Low	47 Å²	47	107.7 Å²	107.7	39%	0.388	52%	0.522	S	S	.	.			trans	-68.6	156.7	177.2	0	0	0	0	0	112.3	P201 E208 R209 R210	P201-A203 PolarHBondContact O-N 2.97Å; A203-E208 WeakPolarHBondContact CB-O 3.48Å; A203-R209 CarbonylContact C-O 3.57Å; A203-R209 WeakPolarHBondContact CA-O 3.27Å; A203-R210 HydrophobicContact CB-CG 4.49Å
204	C	59.7	Low	54.9	Low	0 Å²	0	109.3 Å²	109.3	0%	0	53%	0.528	C	S	.	.			trans	-90	124.6	166	-174.2	0	0	0	0	109.3	K206 C207 E208 R209 L217 H220	C204-K206 PolarHBondContact O-N 2.64Å; C204-C207 PolarHBondContact O-N 2.7Å; C204-E208 VanDerWaalsContact O-CA 3.26Å; C204-E208 WeakPolarHBondContact O-CA 3.36Å; C204-E208 PolarHBondContact O-N 2.77Å; C204-R209 PolarHBondContact N-O 3.04Å; C204-L217 HydrophobicContact CB-CD1 4.4Å; C204-H220 WeakPolarHBondContact CB-NE2 3.48Å; C204-H220 PolarHBondContact SG-NE2 2.93Å
205	P	55.4	Low	55	Low	120 Å²	120	114.8 Å²	114.8	78%	0.779	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-6	-170.4	27.8	-36.1	0	0	0	115.4
206	K	55.6	Low	55.1	Low	171 Å²	171	115.9 Å²	115.9	74%	0.743	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-0.5	178	-163.9	165.5	-178.3	175	0	114.5	C204	C204-K206 PolarHBondContact O-N 2.64Å
207	C	65.9	Low	55.6	Low	53 Å²	53	112.7 Å²	112.7	36%	0.358	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.5	15.8	176.3	77.2	0	0	0	0	114.3	C204 R209 H220	C204-C207 PolarHBondContact O-N 2.7Å; C207-R209 PolarHBondContact O-N 3.1Å; C207-H220 VanDerWaalsContact SG-CE1 3.58Å; C207-H220 PolarHBondContact SG-NE2 3.25Å
208	E	55.1	Low	56.1	Low	160 Å²	160	116.6 Å²	116.6	75%	0.748	52%	0.523	S	S	*	.			trans	55.5	-12.8	174.9	-54.1	-164.2	164.6	0	0	118.9	A203 C204 R210	A203-E208 WeakPolarHBondContact CB-O 3.48Å; C204-E208 VanDerWaalsContact O-CA 3.26Å; C204-E208 WeakPolarHBondContact O-CA 3.36Å; C204-E208 PolarHBondContact O-N 2.77Å; E208-R210 PolarHBondContact O-N 3.05Å
209	R	55.7	Low	57	Low	174 Å²	174	115.5 Å²	115.5	66%	0.657	51%	0.514	S	S	*	.			trans	-50.6	126.5	-175.4	-76.4	-179.5	174.6	-171.6	-2.4	111.4	A203 C204 C207 F211	A203-R209 CarbonylContact C-O 3.57Å; A203-R209 WeakPolarHBondContact CA-O 3.27Å; C204-R209 PolarHBondContact N-O 3.04Å; C207-R209 PolarHBondContact O-N 3.1Å; R209-F211 HydrophobicContact CB-CE2 3.73Å; R209-F211 HydrophobicContact CB-CZ 4.05Å; R209-F211 WeakPolarHBondContact O-CD2 3.15Å; R209-F211 WeakPolarHBondContact O-CE2 3.4Å
210	R	57.9	Low	58	Low	182 Å²	182	110.3 Å²	110.3	69%	0.687	49%	0.491	S	S	*	.			trans	-94.5	117.8	-165.2	-87.1	-177.2	174.8	-163.7	-1.1	112	P201 A203 E208	P201-R210 HydrophobicContact CB-CB 3.55Å; P201-R210 HydrophobicContact CB-CG 3.85Å; P201-R210 HydrophobicContact CG-CB 4.45Å; A203-R210 HydrophobicContact CB-CG 4.49Å; E208-R210 PolarHBondContact O-N 3.05Å
211	F	63	Low	58.1	Low	41 Å²	41	101.6 Å²	101.6	18%	0.18	46%	0.462	C	S	.	.	B	Isolated β-bridge	trans	-116.2	123.5	-173.7	-65.4	-82.7	0	0	0	113.8	I202 R209 R213 Q216 L217 H220	I202-F211 PolarHBondContact N-O 2.91Å; I202-F211 PolarHBondContact O-N 3.07Å; R209-F211 HydrophobicContact CB-CE2 3.73Å; R209-F211 HydrophobicContact CB-CZ 4.05Å; R209-F211 WeakPolarHBondContact O-CD2 3.15Å; R209-F211 WeakPolarHBondContact O-CE2 3.4Å; F211-R213 VanDerWaalsContact C-N 3.29Å; F211-R213 PolarHBondContact O-N 2.86Å; F211-Q216 HydrophobicContact CD1-CB 3.96Å; F211-L217 HydrophobicContact CB-CB 4.04Å; F211-L217 HydrophobicContact CD2-CB 4.48Å; F211-L217 HydrophobicContact CD2-CD1 3.73Å; F211-L217 HydrophobicContact CE2-CD1 4.35Å; F211-L217 HydrophobicContact CG-CB 4.34Å; F211-L217 HydrophobicContact CG-CD1 4.42Å; F211-H220 HydrophobicContact CE1-CB 4.04Å; F211-H220 HydrophobicContact CE2-CB 4.02Å; F211-H220 AromaticContact CE2-CD2 3.13Å; F211-H220 WeakPolarHBondContact CE2-CD2 3.4Å; F211-H220 AromaticContact CE2-CG 3.57Å; F211-H220 AromaticContact CE2-NE2 3.6Å; F211-H220 HydrophobicContact CZ-CB 3.61Å; F211-H220 AromaticContact CZ-CD2 3.44Å; F211-H220 VanDerWaalsContact CZ-CD2 3.44Å; F211-H220 WeakPolarHBondContact CZ-CD2 3.2Å; F211-H220 AromaticContact CZ-CG 3.33Å; F211-H220 AromaticContact CZ-ND1 3.8Å; F211-H220 AromaticContact CZ-NE2 3.91Å
212	W	49.9	Very low	58.3	Low	161 Å²	161	108.2 Å²	108.2	61%	0.61	48%	0.483	S	S	*	.	S	Bend	trans	-75.4	-5.6	-177.1	-56.8	92.3	0	0	0	115.5	K199 P201	K199-W212 HydrophobicContact CB-CE3 3.76Å; K199-W212 HydrophobicContact CB-CZ3 3.91Å; K199-W212 HydrophobicContact CD-CE3 4.15Å; K199-W212 WeakPolarHBondContact O-CZ3 3.36Å; P201-W212 HydrophobicContact CG-CD2 4.31Å; P201-W212 HydrophobicContact CG-CE3 4.15Å; P201-W212 HydrophobicContact CG-CH2 3.7Å; P201-W212 HydrophobicContact CG-CZ2 3.83Å; P201-W212 HydrophobicContact CG-CZ3 3.86Å
213	R	53.3	Low	58.4	Low	184 Å²	184	114.5 Å²	114.5	69%	0.694	50%	0.502	S	S	*	.	S	Bend	trans	-146	133.6	177.1	-56.5	-175.6	-174.4	-127	3.9	111.9	F211 K215 Q216 L217	F211-R213 VanDerWaalsContact C-N 3.29Å; F211-R213 PolarHBondContact O-N 2.86Å; R213-K215 PolarHBondContact O-N 2.86Å; R213-Q216 HydrophobicContact CB-CG 4.41Å; R213-Q216 PolarHBondContact O-N 2.83Å; R213-L217 PolarHBondContact O-N 2.87Å; R213-L217 VanDerWaalsContact O-N 3.14Å
214	R	47.8	Very low	58.2	Low	188 Å²	188	115.2 Å²	115.2	71%	0.709	50%	0.503	S	S	*	.	H	α-helix	trans	-54	-13.1	172.1	-77.4	-175.5	169.6	-179.7	-4.6	115.3	I202 R218	I202-R214 HydrophobicContact CD1-CG 3.58Å; R214-R218 WeakPolarHBondContact O-CB 3.46Å; R214-R218 WeakPolarHBondContact O-CG 3.22Å; R214-R218 PolarHBondContact O-N 3.27Å; R214-R218 PolarHBondContact O-NE 3.32Å
215	K	56.3	Low	58.3	Low	172 Å²	172	118.9 Å²	118.9	75%	0.748	52%	0.52	S	S	*	.	H	α-helix	trans	-87.3	-30.3	172.4	-168.8	174.2	-178	177.5	0	113.1	R213 A219	R213-K215 PolarHBondContact O-N 2.86Å; K215-A219 PolarHBondContact O-N 2.87Å
216	Q	60	Low	58.1	Low	95 Å²	95	118 Å²	118	44%	0.444	52%	0.515	S	S	.	.	H	α-helix	trans	-74.4	-47.7	172.7	-68.9	165.9	-59.2	0	0	109.7	F211 R213 R218 A219 H220	F211-Q216 HydrophobicContact CD1-CB 3.96Å; R213-Q216 HydrophobicContact CB-CG 4.41Å; R213-Q216 PolarHBondContact O-N 2.83Å; Q216-R218 PolarHBondContact O-N 3.36Å; Q216-A219 WeakPolarHBondContact O-CA 3.42Å; Q216-A219 WeakPolarHBondContact O-CB 3.19Å; Q216-A219 PolarHBondContact O-N 2.79Å; Q216-H220 PolarHBondContact O-N 3.36Å
217	L	62.8	Low	57.4	Low	20 Å²	20	115.4 Å²	115.4	11%	0.105	52%	0.515	C	S	.	.	H	α-helix	trans	-54.5	-50.1	174.8	-178.7	64.3	0	0	0	111.7	I202 C204 F211 R213 A219 H220 L221	I202-L217 HydrophobicContact CB-CD2 4.09Å; I202-L217 HydrophobicContact CG2-CD2 3.55Å; C204-L217 HydrophobicContact CB-CD1 4.4Å; F211-L217 HydrophobicContact CB-CB 4.04Å; F211-L217 HydrophobicContact CD2-CB 4.48Å; F211-L217 HydrophobicContact CD2-CD1 3.73Å; F211-L217 HydrophobicContact CE2-CD1 4.35Å; F211-L217 HydrophobicContact CG-CB 4.34Å; F211-L217 HydrophobicContact CG-CD1 4.42Å; R213-L217 PolarHBondContact O-N 2.87Å; R213-L217 VanDerWaalsContact O-N 3.14Å; L217-A219 PolarHBondContact O-N 3.09Å; L217-A219 VanDerWaalsContact O-N 3.14Å; L217-H220 CarbonylContact O-C 3.16Å; L217-H220 PolarHBondContact O-N 3.43Å; L217-L221 HydrophobicContact CD1-CD1 4.19Å; L217-L221 HydrophobicContact CD1-CD2 4.33Å; L217-L221 HydrophobicContact CD1-CG 3.97Å; L217-L221 HydrophobicContact CD2-CD1 4.34Å; L217-L221 HydrophobicContact CG-CD1 3.82Å; L217-L221 HydrophobicContact CG-CG 4.06Å; L217-L221 WeakPolarHBondContact O-CG 3.48Å; L217-L221 PolarHBondContact O-N 3.14Å
218	R	56.2	Low	56.3	Low	148 Å²	148	117.2 Å²	117.2	56%	0.558	53%	0.534	S	S	*	.	H	α-helix	trans	-64.9	-15.8	176.3	-76	-177.2	-71.3	-177.1	-3.9	115	R214 Q216 R222	R214-R218 WeakPolarHBondContact O-CB 3.46Å; R214-R218 WeakPolarHBondContact O-CG 3.22Å; R214-R218 PolarHBondContact O-N 3.27Å; R214-R218 PolarHBondContact O-NE 3.32Å; Q216-R218 PolarHBondContact O-N 3.36Å; R218-R222 PolarHBondContact O-NE 3.47Å; R218-R222 PolarHBondContact O-NH2 3.34Å; R218-R222 VanDerWaalsContact O-NH2 3.16Å
219	A	65.9	Low	55.9	Low	44 Å²	44	115.7 Å²	115.7	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-87.3	-26	171.3	0	0	0	0	0	112.6	K215 Q216 L217	K215-A219 PolarHBondContact O-N 2.87Å; Q216-A219 WeakPolarHBondContact O-CA 3.42Å; Q216-A219 WeakPolarHBondContact O-CB 3.19Å; Q216-A219 PolarHBondContact O-N 2.79Å; L217-A219 PolarHBondContact O-N 3.09Å; L217-A219 VanDerWaalsContact O-N 3.14Å
220	H	70.6	Confident	55.4	Low	26 Å²	26	116.7 Å²	116.7	12%	0.12	55%	0.55	C	S	.	*	H	α-helix	trans	-82.9	-42.1	173.5	167.6	68.8	0	0	0	112.5	C204 C207 F211 Q216 L217 R222 R223 C224	C204-H220 WeakPolarHBondContact CB-NE2 3.48Å; C204-H220 PolarHBondContact SG-NE2 2.93Å; C207-H220 VanDerWaalsContact SG-CE1 3.58Å; C207-H220 PolarHBondContact SG-NE2 3.25Å; F211-H220 HydrophobicContact CE1-CB 4.04Å; F211-H220 HydrophobicContact CE2-CB 4.02Å; F211-H220 AromaticContact CE2-CD2 3.13Å; F211-H220 WeakPolarHBondContact CE2-CD2 3.4Å; F211-H220 AromaticContact CE2-CG 3.57Å; F211-H220 AromaticContact CE2-NE2 3.6Å; F211-H220 HydrophobicContact CZ-CB 3.61Å; F211-H220 AromaticContact CZ-CD2 3.44Å; F211-H220 VanDerWaalsContact CZ-CD2 3.44Å; F211-H220 WeakPolarHBondContact CZ-CD2 3.2Å; F211-H220 AromaticContact CZ-CG 3.33Å; F211-H220 AromaticContact CZ-ND1 3.8Å; F211-H220 AromaticContact CZ-NE2 3.91Å; Q216-H220 PolarHBondContact O-N 3.36Å; L217-H220 CarbonylContact O-C 3.16Å; L217-H220 PolarHBondContact O-N 3.43Å; H220-R222 VanDerWaalsContact C-N 3.29Å; H220-R222 PolarHBondContact O-N 3.17Å; H220-R223 WeakPolarHBondContact O-CA 3.41Å; H220-R223 WeakPolarHBondContact O-CB 3.44Å; H220-R223 PolarHBondContact O-N 3.3Å; H220-C224 PolarHBondContact CE1-SG 2.75Å; H220-C224 PolarHBondContact O-N 3.25Å
221	L	57	Low	54.8	Low	51 Å²	51	112.7 Å²	112.7	27%	0.267	56%	0.556	S	S	.	*	H	α-helix	trans	-57.1	-41.8	174.4	-70.9	174.5	0	0	0	111.2	L217 R223 C224 H225	L217-L221 HydrophobicContact CD1-CD1 4.19Å; L217-L221 HydrophobicContact CD1-CD2 4.33Å; L217-L221 HydrophobicContact CD1-CG 3.97Å; L217-L221 HydrophobicContact CD2-CD1 4.34Å; L217-L221 HydrophobicContact CG-CD1 3.82Å; L217-L221 HydrophobicContact CG-CG 4.06Å; L217-L221 WeakPolarHBondContact O-CG 3.48Å; L217-L221 PolarHBondContact O-N 3.14Å; L221-R223 PolarHBondContact O-N 3.42Å; L221-C224 PolarHBondContact O-N 3.18Å; L221-H225 CarbonylContact O-C 3.59Å; L221-H225 VanDerWaalsContact O-C 3.32Å; L221-H225 VanDerWaalsContact O-CA 3.3Å; L221-H225 WeakPolarHBondContact O-CA 3.46Å; L221-H225 WeakPolarHBondContact O-CB 3.48Å; L221-H225 PolarHBondContact O-N 2.84Å; L221-H225 VanDerWaalsContact O-O 3.06Å
222	R	60.5	Low	54.1	Low	171 Å²	171	121.2 Å²	121.2	65%	0.645	59%	0.587	S	S	*	*	H	α-helix	trans	-66.4	6	171.7	-75.1	-172	-63.6	-110.6	-5.9	115.7	R218 H220	R218-R222 PolarHBondContact O-NE 3.47Å; R218-R222 PolarHBondContact O-NH2 3.34Å; R218-R222 VanDerWaalsContact O-NH2 3.16Å; H220-R222 VanDerWaalsContact C-N 3.29Å; H220-R222 PolarHBondContact O-N 3.17Å
223	R	61.6	Low	54.5	Low	197 Å²	197	117.1 Å²	117.1	74%	0.743	58%	0.581	S	S	*	*	H	α-helix	trans	-119.9	-32.5	173.4	-64.4	177.2	177.2	-179.2	-3.6	112.3	H220 L221	H220-R223 WeakPolarHBondContact O-CA 3.41Å; H220-R223 WeakPolarHBondContact O-CB 3.44Å; H220-R223 PolarHBondContact O-N 3.3Å; L221-R223 PolarHBondContact O-N 3.42Å
224	C	52.9	Low	55	Low	61 Å²	61	112.2 Å²	112.2	41%	0.412	57%	0.565	S	S	.	*	H	α-helix	trans	-91.2	-17.7	173.7	-67.8	0	0	0	0	113.9	H220 L221	H220-C224 PolarHBondContact CE1-SG 2.75Å; H220-C224 PolarHBondContact O-N 3.25Å; L221-C224 PolarHBondContact O-N 3.18Å
225	H	60.5	Low	55.6	Low	77 Å²	77	108.4 Å²	108.4	36%	0.356	56%	0.558	S	S	.	*	S	Bend	trans	-141	78	178.9	-55.3	-96.7	0	0	0	108.6	L221	L221-H225 CarbonylContact O-C 3.59Å; L221-H225 VanDerWaalsContact O-C 3.32Å; L221-H225 VanDerWaalsContact O-CA 3.3Å; L221-H225 WeakPolarHBondContact O-CA 3.46Å; L221-H225 WeakPolarHBondContact O-CB 3.48Å; L221-H225 PolarHBondContact O-N 2.84Å; L221-H225 VanDerWaalsContact O-O 3.06Å
226	P	51.7	Low	56.4	Low	103 Å²	103	100.2 Å²	100.2	67%	0.669	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-62.8	132.3	164.5	28.5	-32.8	0	0	0	109
227	P	41.2	Very low	56.6	Low	115 Å²	115	99.1 Å²	99.1	75%	0.747	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-70.6	148	172.3	30.6	-34	0	0	0	110.4
228	A	41.8	Very low	56.8	Low	91 Å²	91	103.6 Å²	103.6	75%	0.752	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-64.9	150.8	174.9	0	0	0	0	0	111.6	E230	A228-E230 PolarHBondContact O-N 3.13Å
229	P	47.8	Very low	57.7	Low	128 Å²	128	99 Å²	99	83%	0.831	55%	0.55	S	S	*	.			trans	-88.4	95.1	-173.9	34	-34	0	0	0	112.7	A231	P229-A231 PolarHBondContact O-N 2.96Å
230	E	44.5	Very low	57.9	Low	196 Å²	196	99.5 Å²	99.5	92%	0.916	56%	0.56	S	S	*	*			trans	-70.2	121.6	159.7	-75.1	178	-167.7	0	0	109.8	A228	A228-E230 PolarHBondContact O-N 3.13Å
231	A	45.4	Very low	58	Low	97 Å²	97	106.2 Å²	106.2	80%	0.802	58%	0.584	S	S	*	*			trans	-82.3	125.2	-167.1	0	0	0	0	0	113.2	P229	P229-A231 PolarHBondContact O-N 2.96Å
232	R	48.6	Very low	58.5	Low	220 Å²	220	107.4 Å²	107.4	83%	0.83	60%	0.597	S	S	*	*			trans	-128.4	113.5	153.7	-75.5	-169.8	172.8	-149.6	-3.9	108.3
233	P	58.7	Low	58.9	Low	76 Å²	76	101.1 Å²	101.1	49%	0.494	57%	0.574	S	S	.	*			trans	-68.9	143.6	-175	28.8	-35.1	0	0	0	111.2	F243	P233-F243 CarbonylContact C-O 3.58Å; P233-F243 WeakPolarHBondContact CA-O 3.46Å
234	F	62.3	Low	58.6	Low	80 Å²	80	95.4 Å²	95.4	35%	0.351	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.2	114.2	-175.9	-56.9	-77.8	0	0	0	110.3	F243 W246 L249	F234-F243 PolarHBondContact N-O 3.25Å; F234-F243 PolarHBondContact O-N 2.93Å; F234-W246 HydrophobicContact CB-CE3 4.5Å; F234-W246 AromaticContact CD1-CE3 3.55Å; F234-W246 HydrophobicContact CD1-CE3 3.55Å; F234-W246 HydrophobicContact CD1-CZ3 4.06Å; F234-W246 HydrophobicContact CD2-CB 4.3Å; F234-W246 AromaticContact CE1-CE3 3.85Å; F234-W246 HydrophobicContact CE1-CE3 3.85Å; F234-W246 HydrophobicContact CE2-CB 4.16Å; F234-W246 HydrophobicContact CG-CE3 4.03Å; F234-W246 HydrophobicContact CZ-CB 4.37Å; F234-L249 HydrophobicContact CB-CB 4.23Å; F234-L249 HydrophobicContact CB-CD2 3.67Å
235	I	62.3	Low	59.1	Low	109 Å²	109	98.3 Å²	98.3	56%	0.559	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.7	136.8	-173.7	-61.4	175	0	0	0	111.7	G237 G240	I235-G237 PolarHBondContact O-N 3.17Å; I235-G240 WeakPolarHBondContact CG2-O 3.28Å
236	C	71.9	Confident	58.6	Low	0 Å²	0	101.9 Å²	101.9	0%	0	59%	0.587	C	S	.	*			trans	-83.9	105.7	172.9	-168.6	0	0	0	0	111.7	N238 C239 G240 R241 F243 L249	C236-N238 PolarHBondContact O-N 2.9Å; C236-C239 VanDerWaalsContact CB-SG 3.55Å; C236-C239 PolarHBondContact O-N 3.41Å; C236-C239 VanDerWaalsContact SG-SG 3.66Å; C236-G240 PolarHBondContact O-N 3.11Å; C236-R241 PolarHBondContact N-O 3.15Å; C236-F243 HydrophobicContact CB-CE2 4.13Å; C236-L249 HydrophobicContact CB-CD1 3.47Å; C236-L249 VanDerWaalsContact CB-CD1 3.47Å
237	G	64.9	Low	59.3	Low	72 Å²	72	102.7 Å²	102.7	74%	0.742	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-1.6	177.3	0	0	0	0	0	116.9	I235	I235-G237 PolarHBondContact O-N 3.17Å
238	N	67.1	Low	60.4	Low	113 Å²	113	101.2 Å²	101.2	60%	0.604	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-22.5	171.9	-72.1	59.3	0	0	0	113	C236 H256	C236-N238 PolarHBondContact O-N 2.9Å; N238-H256 WeakPolarHBondContact CB-ND1 3.31Å
239	C	74.6	Confident	61.8	Low	51 Å²	51	97.2 Å²	97.2	35%	0.345	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.8	7.7	-167.4	64.2	0	0	0	0	115.2	C236 R241 H252	C236-C239 VanDerWaalsContact CB-SG 3.55Å; C236-C239 PolarHBondContact O-N 3.41Å; C236-C239 VanDerWaalsContact SG-SG 3.66Å; C239-R241 PolarHBondContact O-N 3.05Å; C239-H252 PolarHBondContact SG-NE2 2.87Å
240	G	69.1	Low	63	Low	55 Å²	55	93.3 Å²	93.3	57%	0.567	51%	0.508	S	S	*	.			trans	70.8	-15.9	179.8	0	0	0	0	0	116.4	I235 C236 S242	I235-G240 WeakPolarHBondContact CG2-O 3.28Å; C236-G240 PolarHBondContact O-N 3.11Å; G240-S242 PolarHBondContact O-N 3.39Å
241	R	74.2	Confident	64.4	Low	167 Å²	167	86.4 Å²	86.4	63%	0.63	49%	0.485	S	S	*	.			trans	-60.1	133.2	-176.3	-66.2	-169.9	-179.2	-158	1.8	112.4	C236 C239 F243	C236-R241 PolarHBondContact N-O 3.15Å; C239-R241 PolarHBondContact O-N 3.05Å; R241-F243 HydrophobicContact CB-CE2 3.68Å; R241-F243 HydrophobicContact CB-CZ 3.84Å; R241-F243 WeakPolarHBondContact O-CD2 3.24Å; R241-F243 WeakPolarHBondContact O-CE2 3.46Å
242	S	66.8	Low	65.8	Low	76 Å²	76	83.4 Å²	83.4	53%	0.531	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140.7	-179.3	55.9	0	0	0	0	111.2	G240	G240-S242 PolarHBondContact O-N 3.39Å
243	F	69.1	Low	66.9	Low	39 Å²	39	77 Å²	77	17%	0.171	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.2	-176.1	-62.8	-87.2	0	0	0	111.1	P233 F234 C236 R241 Q245 Q248 L249 H252	P233-F243 CarbonylContact C-O 3.58Å; P233-F243 WeakPolarHBondContact CA-O 3.46Å; F234-F243 PolarHBondContact N-O 3.25Å; F234-F243 PolarHBondContact O-N 2.93Å; C236-F243 HydrophobicContact CB-CE2 4.13Å; R241-F243 HydrophobicContact CB-CE2 3.68Å; R241-F243 HydrophobicContact CB-CZ 3.84Å; R241-F243 WeakPolarHBondContact O-CD2 3.24Å; R241-F243 WeakPolarHBondContact O-CE2 3.46Å; F243-Q245 VanDerWaalsContact C-N 3.26Å; F243-Q245 PolarHBondContact O-N 2.93Å; F243-Q248 HydrophobicContact CB-CB 4.09Å; F243-Q248 HydrophobicContact CD1-CB 3.94Å; F243-Q248 HydrophobicContact CG-CB 4.33Å; F243-L249 HydrophobicContact CB-CB 4.21Å; F243-L249 HydrophobicContact CD2-CB 4.11Å; F243-L249 HydrophobicContact CD2-CD1 3.77Å; F243-L249 HydrophobicContact CE2-CD1 4.07Å; F243-L249 HydrophobicContact CG-CB 4.3Å; F243-H252 HydrophobicContact CE1-CB 3.93Å; F243-H252 HydrophobicContact CE2-CB 4.01Å; F243-H252 AromaticContact CE2-CD2 3.56Å; F243-H252 AromaticContact CE2-CG 3.92Å; F243-H252 HydrophobicContact CZ-CB 3.5Å; F243-H252 AromaticContact CZ-CD2 3.39Å; F243-H252 WeakPolarHBondContact CZ-CD2 3.42Å; F243-H252 AromaticContact CZ-CG 3.35Å
244	A	55.8	Low	67.8	Low	78 Å²	78	81.6 Å²	81.6	65%	0.645	44%	0.44	S	S	*	.	S	Bend	trans	-66.2	-28.4	-178.5	0	0	0	0	0	112.9
245	Q	62.2	Low	68.4	Low	122 Å²	122	80.8 Å²	80.8	57%	0.57	44%	0.442	S	S	*	.	S	Bend	trans	-126.4	146.1	-177.4	-59.3	-178.8	-3	0	0	112.4	F243 D247 Q248 L249	F243-Q245 VanDerWaalsContact C-N 3.26Å; F243-Q245 PolarHBondContact O-N 2.93Å; Q245-D247 VanDerWaalsContact C-N 3.3Å; Q245-D247 PolarHBondContact O-N 3.13Å; Q245-Q248 HydrophobicContact CB-CG 4.1Å; Q245-Q248 WeakPolarHBondContact O-CB 3.43Å; Q245-Q248 PolarHBondContact O-N 3.09Å; Q245-L249 PolarHBondContact O-N 3.33Å
246	W	51.5	Low	68.8	Low	151 Å²	151	77.6 Å²	77.6	57%	0.572	42%	0.424	S	S	*	.	H	α-helix	trans	-61.1	-37.7	-178.3	-179.7	-91.5	0	0	0	112.7	F234 Q248 L249 V250	F234-W246 HydrophobicContact CB-CE3 4.5Å; F234-W246 AromaticContact CD1-CE3 3.55Å; F234-W246 HydrophobicContact CD1-CE3 3.55Å; F234-W246 HydrophobicContact CD1-CZ3 4.06Å; F234-W246 HydrophobicContact CD2-CB 4.3Å; F234-W246 AromaticContact CE1-CE3 3.85Å; F234-W246 HydrophobicContact CE1-CE3 3.85Å; F234-W246 HydrophobicContact CE2-CB 4.16Å; F234-W246 HydrophobicContact CG-CE3 4.03Å; F234-W246 HydrophobicContact CZ-CB 4.37Å; W246-Q248 VanDerWaalsContact C-N 3.33Å; W246-Q248 PolarHBondContact O-N 2.81Å; W246-L249 HydrophobicContact CZ3-CD2 4.46Å; W246-L249 WeakPolarHBondContact O-CB 3.48Å; W246-L249 PolarHBondContact O-N 3.38Å; W246-V250 WeakPolarHBondContact O-CG2 3.26Å; W246-V250 PolarHBondContact O-N 3.04Å
247	D	65.4	Low	68.6	Low	120 Å²	120	81.7 Å²	81.7	64%	0.642	45%	0.449	S	S	*	.	H	α-helix	trans	-72.7	-27	-178.3	-64.7	-46.7	0	0	0	112.7	Q245 V250 A251	Q245-D247 VanDerWaalsContact C-N 3.3Å; Q245-D247 PolarHBondContact O-N 3.13Å; D247-V250 PolarHBondContact O-N 3.38Å; D247-A251 WeakPolarHBondContact O-CB 3.35Å; D247-A251 PolarHBondContact O-N 3.37Å
248	Q	65.3	Low	68.5	Low	84 Å²	84	80.7 Å²	80.7	39%	0.393	43%	0.434	S	S	.	.	H	α-helix	trans	-64.9	-44.2	168.2	-64.8	169.7	-25.9	0	0	110.9	F243 Q245 W246 V250 A251 H252	F243-Q248 HydrophobicContact CB-CB 4.09Å; F243-Q248 HydrophobicContact CD1-CB 3.94Å; F243-Q248 HydrophobicContact CG-CB 4.33Å; Q245-Q248 HydrophobicContact CB-CG 4.1Å; Q245-Q248 WeakPolarHBondContact O-CB 3.43Å; Q245-Q248 PolarHBondContact O-N 3.09Å; W246-Q248 VanDerWaalsContact C-N 3.33Å; W246-Q248 PolarHBondContact O-N 2.81Å; Q248-V250 VanDerWaalsContact C-N 3.34Å; Q248-V250 PolarHBondContact O-N 2.93Å; Q248-A251 PolarHBondContact O-N 3.3Å; Q248-H252 PolarHBondContact O-N 3.45Å
249	L	69.6	Low	68.3	Low	7 Å²	7	80.1 Å²	80.1	4%	0.037	43%	0.428	C	S	.	.	H	α-helix	trans	-62.7	-40	173.5	175.8	62.4	0	0	0	111.8	F234 C236 F243 Q245 W246 A251 H252 K253	F234-L249 HydrophobicContact CB-CB 4.23Å; F234-L249 HydrophobicContact CB-CD2 3.67Å; C236-L249 HydrophobicContact CB-CD1 3.47Å; C236-L249 VanDerWaalsContact CB-CD1 3.47Å; F243-L249 HydrophobicContact CB-CB 4.21Å; F243-L249 HydrophobicContact CD2-CB 4.11Å; F243-L249 HydrophobicContact CD2-CD1 3.77Å; F243-L249 HydrophobicContact CE2-CD1 4.07Å; F243-L249 HydrophobicContact CG-CB 4.3Å; Q245-L249 PolarHBondContact O-N 3.33Å; W246-L249 HydrophobicContact CZ3-CD2 4.46Å; W246-L249 WeakPolarHBondContact O-CB 3.48Å; W246-L249 PolarHBondContact O-N 3.38Å; L249-A251 VanDerWaalsContact C-N 3.35Å; L249-H252 PolarHBondContact O-N 3.22Å; L249-K253 HydrophobicContact CD1-CD 4.34Å; L249-K253 HydrophobicContact CD1-CG 4.15Å; L249-K253 HydrophobicContact CG-CD 4.46Å; L249-K253 WeakPolarHBondContact O-CB 3.48Å; L249-K253 WeakPolarHBondContact O-CG 3.47Å; L249-K253 PolarHBondContact O-N 3.47Å
250	V	73.1	Confident	67.6	Low	46 Å²	46	80.3 Å²	80.3	28%	0.279	43%	0.433	S	S	.	.	H	α-helix	trans	-67.5	-34.9	176.8	169.9	0	0	0	0	111.8	W246 D247 Q248 R254	W246-V250 WeakPolarHBondContact O-CG2 3.26Å; W246-V250 PolarHBondContact O-N 3.04Å; D247-V250 PolarHBondContact O-N 3.38Å; Q248-V250 VanDerWaalsContact C-N 3.34Å; Q248-V250 PolarHBondContact O-N 2.93Å; V250-R254 WeakPolarHBondContact O-CG 3.46Å
251	A	74.8	Confident	67.3	Low	52 Å²	52	82.9 Å²	82.9	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-66.6	-50.5	171.9	0	0	0	0	0	110.9	D247 Q248 L249 K253 R254	D247-A251 WeakPolarHBondContact O-CB 3.35Å; D247-A251 PolarHBondContact O-N 3.37Å; Q248-A251 PolarHBondContact O-N 3.3Å; L249-A251 VanDerWaalsContact C-N 3.35Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.4Å; A251-R254 WeakPolarHBondContact O-CB 3.25Å; A251-R254 PolarHBondContact O-N 2.96Å
252	H	75.6	Confident	66.5	Low	33 Å²	33	81.6 Å²	81.6	15%	0.153	43%	0.434	C	S	.	.	H	α-helix	trans	-60.5	-38.4	178.8	-177.2	58.4	0	0	0	112.6	C239 F243 Q248 L249 R254 V255 H256	C239-H252 PolarHBondContact SG-NE2 2.87Å; F243-H252 HydrophobicContact CE1-CB 3.93Å; F243-H252 HydrophobicContact CE2-CB 4.01Å; F243-H252 AromaticContact CE2-CD2 3.56Å; F243-H252 AromaticContact CE2-CG 3.92Å; F243-H252 HydrophobicContact CZ-CB 3.5Å; F243-H252 AromaticContact CZ-CD2 3.39Å; F243-H252 WeakPolarHBondContact CZ-CD2 3.42Å; F243-H252 AromaticContact CZ-CG 3.35Å; Q248-H252 PolarHBondContact O-N 3.45Å; L249-H252 PolarHBondContact O-N 3.22Å; H252-R254 PolarHBondContact O-N 3.43Å; H252-R254 VanDerWaalsContact O-N 3.14Å; H252-V255 VanDerWaalsContact O-CB 3.26Å; H252-V255 WeakPolarHBondContact O-CB 3.3Å; H252-V255 PolarHBondContact O-N 2.86Å; H252-H256 AromaticContact CD2-NE2 3.85Å; H252-H256 AromaticContact CE1-NE2 3.55Å; H252-H256 AromaticContact NE2-CD2 3.68Å; H252-H256 AromaticContact NE2-NE2 3.08Å; H252-H256 PolarHBondContact NE2-NE2 2.84Å; H252-H256 PolarHBondContact O-CD2 3.33Å
253	K	71.6	Confident	65.9	Low	86 Å²	86	85 Å²	85	37%	0.374	44%	0.442	S	S	.	.	H	α-helix	trans	-65.4	-11.8	174	-77.3	-169.1	176.1	-162.4	0	114.8	L249 A251 V257	L249-K253 HydrophobicContact CD1-CD 4.34Å; L249-K253 HydrophobicContact CD1-CG 4.15Å; L249-K253 HydrophobicContact CG-CD 4.46Å; L249-K253 WeakPolarHBondContact O-CB 3.48Å; L249-K253 WeakPolarHBondContact O-CG 3.47Å; L249-K253 PolarHBondContact O-N 3.47Å; A251-K253 VanDerWaalsContact C-N 3.31Å; A251-K253 PolarHBondContact O-N 3.4Å; K253-V257 WeakPolarHBondContact O-CG2 3.2Å
254	R	77.4	Confident	65.1	Low	173 Å²	173	86 Å²	86	65%	0.653	46%	0.457	S	S	*	.	H	α-helix	trans	-81.4	-23.7	168.7	-63.7	171.6	-167.3	-177.4	4.8	112.4	V250 A251 H252 V257 A258	V250-R254 WeakPolarHBondContact O-CG 3.46Å; A251-R254 WeakPolarHBondContact O-CB 3.25Å; A251-R254 PolarHBondContact O-N 2.96Å; H252-R254 PolarHBondContact O-N 3.43Å; H252-R254 VanDerWaalsContact O-N 3.14Å; R254-V257 PolarHBondContact O-N 3.47Å; R254-A258 WeakPolarHBondContact O-CB 3.43Å; R254-A258 PolarHBondContact O-N 2.9Å
255	V	73.6	Confident	64.9	Low	63 Å²	63	84.8 Å²	84.8	38%	0.382	45%	0.447	S	S	.	.	H	α-helix	trans	-64.3	-52.7	174.9	-171.9	0	0	0	0	108.7	H252 V257 A258 E259	H252-V255 VanDerWaalsContact O-CB 3.26Å; H252-V255 WeakPolarHBondContact O-CB 3.3Å; H252-V255 PolarHBondContact O-N 2.86Å; V255-V257 PolarHBondContact O-N 3.39Å; V255-A258 CarbonylContact O-C 3.43Å; V255-A258 WeakPolarHBondContact O-CA 3.49Å; V255-A258 WeakPolarHBondContact O-CB 2.98Å; V255-A258 PolarHBondContact O-N 2.93Å; V255-E259 VanDerWaalsContact C-OE2 3.27Å; V255-E259 HydrophobicContact CG1-CG 4.31Å; V255-E259 WeakPolarHBondContact CG1-OE1 3.39Å; V255-E259 WeakPolarHBondContact O-CG 3.23Å; V255-E259 PolarHBondContact O-N 2.92Å
256	H	71.9	Confident	64.4	Low	41 Å²	41	83.3 Å²	83.3	19%	0.19	46%	0.455	C	S	.	.	H	α-helix	trans	-53.1	-31.5	171.9	-69.7	-90	0	0	0	114.8	N238 H252 E259 A260	N238-H256 WeakPolarHBondContact CB-ND1 3.31Å; H252-H256 AromaticContact CD2-NE2 3.85Å; H252-H256 AromaticContact CE1-NE2 3.55Å; H252-H256 AromaticContact NE2-CD2 3.68Å; H252-H256 AromaticContact NE2-NE2 3.08Å; H252-H256 PolarHBondContact NE2-NE2 2.84Å; H252-H256 PolarHBondContact O-CD2 3.33Å; H256-E259 VanDerWaalsContact CA-OE2 3.3Å; H256-E259 WeakPolarHBondContact CA-OE2 3.49Å; H256-E259 PolarHBondContact N-OE2 2.92Å; H256-A260 VanDerWaalsContact O-CB 3.26Å; H256-A260 WeakPolarHBondContact O-CB 3.34Å; H256-A260 PolarHBondContact O-N 2.86Å
257	V	67.6	Low	64.5	Low	87 Å²	87	85.4 Å²	85.4	53%	0.527	47%	0.469	S	S	.	.	H	α-helix	trans	-84.3	-28.8	177.9	172.5	0	0	0	0	111.7	K253 R254 V255 L261	K253-V257 WeakPolarHBondContact O-CG2 3.2Å; R254-V257 PolarHBondContact O-N 3.47Å; V255-V257 PolarHBondContact O-N 3.39Å; V257-L261 HydrophobicContact CG1-CD1 4.12Å; V257-L261 WeakPolarHBondContact O-CB 3.4Å; V257-L261 VanDerWaalsContact O-CD1 3.3Å; V257-L261 WeakPolarHBondContact O-CD1 3.49Å; V257-L261 WeakPolarHBondContact O-CG 3.42Å; V257-L261 PolarHBondContact O-N 2.86Å
258	A	62.8	Low	63.7	Low	50 Å²	50	82.7 Å²	82.7	41%	0.413	46%	0.463	S	S	.	.	H	α-helix	trans	-72.9	-49.1	171.5	0	0	0	0	0	110.5	R254 V255 A260 L261 E262	R254-A258 WeakPolarHBondContact O-CB 3.43Å; R254-A258 PolarHBondContact O-N 2.9Å; V255-A258 CarbonylContact O-C 3.43Å; V255-A258 WeakPolarHBondContact O-CA 3.49Å; V255-A258 WeakPolarHBondContact O-CB 2.98Å; V255-A258 PolarHBondContact O-N 2.93Å; A258-A260 PolarHBondContact O-N 3.32Å; A258-L261 CarbonylContact O-C 3.59Å; A258-L261 WeakPolarHBondContact O-CA 3.21Å; A258-L261 WeakPolarHBondContact O-CB 3.26Å; A258-L261 PolarHBondContact O-N 3.22Å; A258-E262 WeakPolarHBondContact O-CG 3.35Å; A258-E262 PolarHBondContact O-N 2.83Å
259	E	62.6	Low	62.4	Low	102 Å²	102	87.2 Å²	87.2	48%	0.477	49%	0.489	S	S	.	.	H	α-helix	trans	-54.5	-49.8	176.3	-68.5	161.1	151.7	0	0	111	V255 H256 L261 E262 E263	V255-E259 VanDerWaalsContact C-OE2 3.27Å; V255-E259 HydrophobicContact CG1-CG 4.31Å; V255-E259 WeakPolarHBondContact CG1-OE1 3.39Å; V255-E259 WeakPolarHBondContact O-CG 3.23Å; V255-E259 PolarHBondContact O-N 2.92Å; H256-E259 VanDerWaalsContact CA-OE2 3.3Å; H256-E259 WeakPolarHBondContact CA-OE2 3.49Å; H256-E259 PolarHBondContact N-OE2 2.92Å; E259-L261 PolarHBondContact O-N 2.51Å; E259-E262 PolarHBondContact O-N 3.1Å; E259-E263 PolarHBondContact O-N 3.27Å
260	A	59.6	Low	60.9	Low	55 Å²	55	89.9 Å²	89.9	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-68.8	-14.3	176	0	0	0	0	0	114.7	H256 A258 A264	H256-A260 VanDerWaalsContact O-CB 3.26Å; H256-A260 WeakPolarHBondContact O-CB 3.34Å; H256-A260 PolarHBondContact O-N 2.86Å; A258-A260 PolarHBondContact O-N 3.32Å; A260-A264 WeakPolarHBondContact O-CB 3.47Å
261	L	63.4	Low	59.3	Low	109 Å²	109	94.3 Å²	94.3	57%	0.571	55%	0.548	S	S	*	.	H	α-helix	trans	-91.4	-33.3	171.7	-77.6	171.4	0	0	0	112	V257 A258 E259 A264 A265	V257-L261 HydrophobicContact CG1-CD1 4.12Å; V257-L261 WeakPolarHBondContact O-CB 3.4Å; V257-L261 VanDerWaalsContact O-CD1 3.3Å; V257-L261 WeakPolarHBondContact O-CD1 3.49Å; V257-L261 WeakPolarHBondContact O-CG 3.42Å; V257-L261 PolarHBondContact O-N 2.86Å; A258-L261 CarbonylContact O-C 3.59Å; A258-L261 WeakPolarHBondContact O-CA 3.21Å; A258-L261 WeakPolarHBondContact O-CB 3.26Å; A258-L261 PolarHBondContact O-N 3.22Å; E259-L261 PolarHBondContact O-N 2.51Å; L261-A264 PolarHBondContact O-N 2.85Å; L261-A265 VanDerWaalsContact O-CB 3.27Å; L261-A265 WeakPolarHBondContact O-CB 3.31Å; L261-A265 PolarHBondContact O-N 3.25Å
262	E	56.2	Low	57.7	Low	139 Å²	139	102.8 Å²	102.8	65%	0.65	57%	0.569	S	S	*	*	H	α-helix	trans	-69.9	-41.2	172	-65.8	-59.9	144.8	0	0	110.7	A258 E259 A264 A265 A266	A258-E262 WeakPolarHBondContact O-CG 3.35Å; A258-E262 PolarHBondContact O-N 2.83Å; E259-E262 PolarHBondContact O-N 3.1Å; E262-A264 VanDerWaalsContact C-N 3.27Å; E262-A264 PolarHBondContact O-N 3.45Å; E262-A265 PolarHBondContact O-N 3.3Å; E262-A266 VanDerWaalsContact O-CB 3.29Å; E262-A266 WeakPolarHBondContact O-CB 3.3Å; E262-A266 PolarHBondContact O-N 2.95Å
263	E	54.6	Low	55.8	Low	148 Å²	148	107.2 Å²	107.2	69%	0.692	60%	0.601	S	S	*	*	H	α-helix	trans	-59.1	-38.4	169.8	-76.3	-167	118.4	0	0	112.4	E259	E259-E263 PolarHBondContact O-N 3.27Å
264	A	53.2	Low	54.2	Low	59 Å²	59	115.1 Å²	115.1	49%	0.488	63%	0.628	S	S	.	*	H	α-helix	trans	-73	-32.6	177.2	0	0	0	0	0	112.5	A260 L261 E262	A260-A264 WeakPolarHBondContact O-CB 3.47Å; L261-A264 PolarHBondContact O-N 2.85Å; E262-A264 VanDerWaalsContact C-N 3.27Å; E262-A264 PolarHBondContact O-N 3.45Å
265	A	50.2	Low	52.1	Low	54 Å²	54	110.7 Å²	110.7	45%	0.446	64%	0.637	S	S	.	*	H	α-helix	trans	-77.1	-37.2	176.7	0	0	0	0	0	112.5	L261 E262 K267 A268	L261-A265 VanDerWaalsContact O-CB 3.27Å; L261-A265 WeakPolarHBondContact O-CB 3.31Å; L261-A265 PolarHBondContact O-N 3.25Å; E262-A265 PolarHBondContact O-N 3.3Å; A265-K267 PolarHBondContact O-N 3.01Å; A265-A268 WeakPolarHBondContact O-CA 3.49Å; A265-A268 WeakPolarHBondContact O-CB 3.5Å; A265-A268 PolarHBondContact O-N 3.26Å
266	A	52.4	Low	50	Low	90 Å²	90	119.6 Å²	119.6	74%	0.744	66%	0.664	S	S	*	*	H	α-helix	trans	-62.4	-24.7	176.5	0	0	0	0	0	112.9	E262 A268	E262-A266 VanDerWaalsContact O-CB 3.29Å; E262-A266 WeakPolarHBondContact O-CB 3.3Å; E262-A266 PolarHBondContact O-N 2.95Å; A266-A268 VanDerWaalsContact C-N 3.31Å
267	K	53.8	Low	48.4	Very low	195 Å²	195	123.2 Å²	123.2	85%	0.848	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	2.8	170.7	-81.1	176.8	176.1	168.6	0	114.5	A265	A265-K267 PolarHBondContact O-N 3.01Å
268	A	49.3	Very low	46.6	Very low	64 Å²	64	123.6 Å²	123.6	53%	0.529	70%	0.703	S	S	.	*	S	Bend	trans	-128.3	57.4	-167.3	0	0	0	0	0	114.5	A265 A266	A265-A268 WeakPolarHBondContact O-CA 3.49Å; A265-A268 WeakPolarHBondContact O-CB 3.5Å; A265-A268 PolarHBondContact O-N 3.26Å; A266-A268 VanDerWaalsContact C-N 3.31Å
269	L	38	Very low	45.1	Very low	178 Å²	178	128.3 Å²	128.3	93%	0.932	73%	0.726	S	S	*	*			trans	76.1	165.7	161.5	-57.4	169.2	0	0	0	118.1
270	G	37.9	Very low	43.7	Very low	64 Å²	64	129.6 Å²	129.6	66%	0.66	74%	0.741	S	S	*	*			trans	-87.5	-152	-160.5	0	0	0	0	0	117.9
271	P	39	Very low	42.5	Very low	139 Å²	139	131.3 Å²	131.3	90%	0.903	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-74.9	153.4	-148.9	27.1	-35.9	0	0	0	116.9
272	R	41.2	Very low	41	Very low	229 Å²	229	132.1 Å²	132.1	86%	0.864	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-99.3	153.5	-178.1	-60.8	175.6	165.7	-167	0.2	114.2
273	P	35.2	Very low	39.8	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-82.2	170.6	147.9	33.7	-31.1	0	0	0	112.8
274	R	38.8	Very low	39.3	Very low	252 Å²	252	136.1 Å²	136.1	95%	0.951	79%	0.787	S	S	*	*			trans	-122.1	160.8	-168.1	-58.6	179.1	-178.1	177.7	0.6	114.1
275	G	32.4	Very low	38.4	Very low	81 Å²	81	136.5 Å²	136.5	84%	0.835	80%	0.798	S	S	*	*			trans	105.3	148.2	172.9	0	0	0	0	0	113.8
276	R	29.4	Very low	38.1	Very low	250 Å²	250	137.6 Å²	137.6	94%	0.943	81%	0.814	S	S	*	*			cis	-130.5	172.5	1.3	-117.8	-169.2	171.8	-161.5	-1.2	110
277	P	38.3	Very low	37.7	Very low	116 Å²	116	140.1 Å²	140.1	75%	0.753	82%	0.815	S	S	*	*			trans	-91.1	156.9	-161.7	35.5	-37.4	0	0	0	117.5
278	A	30.8	Very low	37.4	Very low	95 Å²	95	133.2 Å²	133.2	79%	0.785	79%	0.794	S	S	*	*			trans	26.4	110.1	149.6	0	0	0	0	0	120.7
279	V	30.9	Very low	37.7	Very low	149 Å²	149	136 Å²	136	90%	0.903	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-80.6	133.6	151.6	177.4	0	0	0	0	109
280	T	32.3	Very low	38.6	Very low	129 Å²	129	131.1 Å²	131.1	79%	0.791	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-70.8	142.5	-177.4	45.4	0	0	0	0	113.1
281	A	34.8	Very low	39.8	Very low	92 Å²	92	134.5 Å²	134.5	76%	0.76	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-83.2	133.7	179.8	0	0	0	0	0	111.8
282	P	32.4	Very low	41.5	Very low	125 Å²	125	131.8 Å²	131.8	81%	0.812	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-71.5	135.1	176.5	28.4	-33.8	0	0	0	111.9
283	R	31.7	Very low	43.3	Very low	235 Å²	235	124.2 Å²	124.2	89%	0.887	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-65.6	143.9	-178.2	-59.3	171.3	84.8	-179.4	6.5	111.4	G285	R283-G285 PolarHBondContact O-N 3.25Å
284	P	43	Very low	45.4	Very low	136 Å²	136	123.4 Å²	123.4	88%	0.883	71%	0.714	S	S	*	*			trans	-80.9	98	-174.2	31.5	-35.2	0	0	0	113.2
285	G	35.2	Very low	47.3	Very low	68 Å²	68	111.5 Å²	111.5	70%	0.701	67%	0.669	S	S	*	*			trans	-84.3	132.9	173.6	0	0	0	0	0	114.7	R283 D287	R283-G285 PolarHBondContact O-N 3.25Å; G285-D287 PolarHBondContact O-N 3.34Å
286	G	44.3	Very low	49.3	Very low	77 Å²	77	112.7 Å²	112.7	79%	0.794	67%	0.671	S	S	*	*	S	Bend	trans	63.7	-66.3	151	0	0	0	0	0	120.1	A288	G286-A288 VanDerWaalsContact C-N 3.28Å; G286-A288 PolarHBondContact O-N 2.98Å
287	D	43.7	Very low	51.3	Low	143 Å²	143	104.7 Å²	104.7	77%	0.765	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	23.3	-151.5	-81.7	-36	0	0	0	116.3	G285 V289	G285-D287 PolarHBondContact O-N 3.34Å; D287-V289 PolarHBondContact O-N 2.89Å
288	A	47.5	Very low	53	Low	50 Å²	50	101.5 Å²	101.5	41%	0.413	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	-26.5	-169.4	0	0	0	0	0	114.9	G286 R301	G286-A288 VanDerWaalsContact C-N 3.28Å; G286-A288 PolarHBondContact O-N 2.98Å; A288-R301 PolarHBondContact O-NH2 2.65Å
289	V	55.4	Low	55.1	Low	122 Å²	122	98.8 Å²	98.8	74%	0.739	61%	0.614	S	S	*	*	S	Bend	trans	-80.9	-31.8	-158	-174.3	0	0	0	0	114.5	D287	D287-V289 PolarHBondContact O-N 2.89Å
290	D	57.5	Low	57.3	Low	76 Å²	76	97.6 Å²	97.6	41%	0.406	60%	0.596	S	S	.	*	S	Bend	trans	-93.3	-7.6	-178.2	-170.1	58.5	0	0	0	113.9	P292 R303	D290-P292 WeakPolarHBondContact O-CD 3.44Å; D290-R303 VanDerWaalsContact CG-NH2 3.34Å; D290-R303 WeakPolarHBondContact O-CG 3.34Å; D290-R303 IonicContact OD1-CZ 3.49Å; D290-R303 IonicContact OD1-NE 3.15Å; D290-R303 PolarHBondContact OD1-NE 3.33Å; D290-R303 IonicContact OD1-NH2 2.72Å; D290-R303 PolarHBondContact OD1-NH2 3.27Å; D290-R303 WeakPolarHBondContact OD2-CD 3.29Å; D290-R303 IonicContact OD2-CZ 2.81Å; D290-R303 VanDerWaalsContact OD2-CZ 3.27Å; D290-R303 IonicContact OD2-NE 3.83Å; D290-R303 PolarHBondContact OD2-NE 3.13Å; D290-R303 IonicContact OD2-NH2 2.72Å; D290-R303 PolarHBondContact OD2-NH2 3.39Å
291	R	63.3	Low	59.2	Low	134 Å²	134	96.4 Å²	96.4	51%	0.506	58%	0.577	S	S	.	*			trans	-128.7	75.4	-175.6	-58.3	-176	-168.1	163.6	9.8	112.3	R301 F302	R291-R301 HydrophobicContact CB-CB 3.83Å; R291-R301 PolarHBondContact O-NE 2.93Å; R291-R301 PolarHBondContact O-NH2 2.94Å; R291-R301 VanDerWaalsContact O-NH2 3.1Å; R291-F302 CarbonylContact C-O 3.58Å; R291-F302 WeakPolarHBondContact CA-O 3.33Å
292	P	74.6	Confident	61.3	Low	83 Å²	83	94.2 Å²	94.2	54%	0.539	55%	0.551	S	S	.	*			trans	-82.7	-9	-174.9	32.8	-36	0	0	0	114.8	D290	D290-P292 WeakPolarHBondContact O-CD 3.44Å
293	F	78.4	Confident	63.4	Low	69 Å²	69	95 Å²	95	30%	0.303	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	93.3	-176.3	-58.4	-73.7	0	0	0	111.2	F302 K305 L308	F293-F302 HydrophobicContact CB-CB 4.28Å; F293-F302 WeakPolarHBondContact CB-O 3.35Å; F293-F302 PolarHBondContact N-O 2.96Å; F293-F302 VanDerWaalsContact N-O 3.09Å; F293-F302 PolarHBondContact O-N 3.06Å; F293-K305 HydrophobicContact CD1-CB 3.8Å; F293-K305 HydrophobicContact CD1-CG 4.01Å; F293-K305 HydrophobicContact CD2-CB 4.49Å; F293-K305 VanDerWaalsContact CD2-N 3.26Å; F293-K305 HydrophobicContact CE1-CB 3.67Å; F293-K305 HydrophobicContact CE1-CD 4.21Å; F293-K305 HydrophobicContact CE1-CG 4.05Å; F293-K305 HydrophobicContact CE2-CB 4.36Å; F293-K305 HydrophobicContact CG-CB 4.22Å; F293-K305 HydrophobicContact CZ-CB 3.96Å; F293-L308 HydrophobicContact CB-CB 4.05Å; F293-L308 HydrophobicContact CB-CD2 3.86Å
294	Q	78.9	Confident	65.6	Low	110 Å²	110	88.6 Å²	88.6	51%	0.514	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	144.5	-179.1	-170.7	166	-8.1	0	0	112.9	G299 K300 R301 L308	Q294-G299 WeakPolarHBondContact CG-O 3.49Å; Q294-K300 CarbonylContact C-O 3.6Å; Q294-R301 HydrophobicContact CB-CG 4.18Å; Q294-R301 HydrophobicContact CG-CG 4.03Å; Q294-L308 VanDerWaalsContact O-CD2 3.28Å; Q294-L308 WeakPolarHBondContact O-CD2 3.44Å
295	C	79.2	Confident	67	Low	1 Å²	1	88.4 Å²	88.4	1%	0.007	50%	0.502	C	S	.	.			trans	-89.1	116.4	171	-168.2	0	0	0	0	110.7	C297 C298 G299 K300 F302 L308	C295-C297 VanDerWaalsContact C-N 3.28Å; C295-C297 PolarHBondContact O-N 3.27Å; C295-C298 PolarHBondContact O-N 2.94Å; C295-G299 WeakPolarHBondContact O-CA 3.33Å; C295-G299 PolarHBondContact O-N 3.43Å; C295-K300 PolarHBondContact N-O 3.43Å; C295-F302 HydrophobicContact CB-CE2 4.46Å; C295-L308 HydrophobicContact CB-CD1 3.57Å
296	A	73.9	Confident	68.9	Low	107 Å²	107	89.4 Å²	89.4	88%	0.884	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-41	176.9	0	0	0	0	0	112.4	C298	A296-C298 VanDerWaalsContact C-N 3.31Å; A296-C298 PolarHBondContact O-N 3.2Å
297	C	71.1	Confident	70.4	Confident	82 Å²	82	89.5 Å²	89.5	55%	0.554	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.1	-173.8	-47	0	0	0	0	115	C295	C295-C297 VanDerWaalsContact C-N 3.28Å; C295-C297 PolarHBondContact O-N 3.27Å
298	C	74.4	Confident	72	Confident	49 Å²	49	83.8 Å²	83.8	33%	0.331	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.7	25.2	-178.3	77.6	0	0	0	0	115.1	C295 A296 K300 H311 H315	C295-C298 PolarHBondContact O-N 2.94Å; A296-C298 VanDerWaalsContact C-N 3.31Å; A296-C298 PolarHBondContact O-N 3.2Å; C298-K300 PolarHBondContact O-N 2.87Å; C298-H311 PolarHBondContact SG-NE2 3.49Å; C298-H315 VanDerWaalsContact SG-CE1 3.5Å; C298-H315 PolarHBondContact SG-NE2 3.34Å
299	G	74.9	Confident	73.2	Confident	38 Å²	38	85.2 Å²	85.2	39%	0.392	45%	0.448	S	S	.	.			trans	66.4	-12.7	175.5	0	0	0	0	0	118.1	Q294 C295 R301	Q294-G299 WeakPolarHBondContact CG-O 3.49Å; C295-G299 WeakPolarHBondContact O-CA 3.33Å; C295-G299 PolarHBondContact O-N 3.43Å; G299-R301 PolarHBondContact O-N 3.39Å
300	K	76.1	Confident	73.9	Confident	124 Å²	124	79.8 Å²	79.8	54%	0.539	42%	0.416	S	S	.	.			trans	-63.3	127.7	-171.1	-72.2	173	-172.3	164	0	112.3	Q294 C295 C298 F302	Q294-K300 CarbonylContact C-O 3.6Å; C295-K300 PolarHBondContact N-O 3.43Å; C298-K300 PolarHBondContact O-N 2.87Å; K300-F302 HydrophobicContact CB-CE2 3.79Å; K300-F302 HydrophobicContact CB-CZ 4.11Å; K300-F302 WeakPolarHBondContact O-CD2 3.49Å; K300-F302 VanDerWaalsContact O-CE2 3.29Å; K300-F302 WeakPolarHBondContact O-CE2 3.36Å
301	R	73.7	Confident	74.8	Confident	104 Å²	104	77.3 Å²	77.3	39%	0.392	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.4	-175.9	-61	-178.7	66.6	153.2	2.5	112.3	A288 R291 Q294 G299	A288-R301 PolarHBondContact O-NH2 2.65Å; R291-R301 HydrophobicContact CB-CB 3.83Å; R291-R301 PolarHBondContact O-NE 2.93Å; R291-R301 PolarHBondContact O-NH2 2.94Å; R291-R301 VanDerWaalsContact O-NH2 3.1Å; Q294-R301 HydrophobicContact CB-CG 4.18Å; Q294-R301 HydrophobicContact CG-CG 4.03Å; G299-R301 PolarHBondContact O-N 3.39Å
302	F	79.3	Confident	75.1	Confident	46 Å²	46	77.5 Å²	77.5	20%	0.202	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.3	-175.4	-63.1	-91.8	0	0	0	112.3	R291 F293 C295 K300 H304 N307 L308 H311	R291-F302 CarbonylContact C-O 3.58Å; R291-F302 WeakPolarHBondContact CA-O 3.33Å; F293-F302 HydrophobicContact CB-CB 4.28Å; F293-F302 WeakPolarHBondContact CB-O 3.35Å; F293-F302 PolarHBondContact N-O 2.96Å; F293-F302 VanDerWaalsContact N-O 3.09Å; F293-F302 PolarHBondContact O-N 3.06Å; C295-F302 HydrophobicContact CB-CE2 4.46Å; K300-F302 HydrophobicContact CB-CE2 3.79Å; K300-F302 HydrophobicContact CB-CZ 4.11Å; K300-F302 WeakPolarHBondContact O-CD2 3.49Å; K300-F302 VanDerWaalsContact O-CE2 3.29Å; K300-F302 WeakPolarHBondContact O-CE2 3.36Å; F302-H304 VanDerWaalsContact C-N 3.35Å; F302-N307 HydrophobicContact CB-CB 4.34Å; F302-N307 HydrophobicContact CD1-CB 3.88Å; F302-N307 HydrophobicContact CG-CB 4.41Å; F302-L308 HydrophobicContact CB-CB 4.31Å; F302-L308 HydrophobicContact CD2-CB 4.06Å; F302-L308 HydrophobicContact CD2-CD1 4.01Å; F302-L308 HydrophobicContact CE2-CD1 4.26Å; F302-L308 HydrophobicContact CG-CB 4.3Å; F302-H311 HydrophobicContact CE1-CB 3.99Å; F302-H311 HydrophobicContact CE2-CB 3.93Å; F302-H311 AromaticContact CE2-CD2 3.28Å; F302-H311 WeakPolarHBondContact CE2-CD2 3.31Å; F302-H311 AromaticContact CE2-CG 3.73Å; F302-H311 HydrophobicContact CZ-CB 3.46Å; F302-H311 VanDerWaalsContact CZ-CB 3.46Å; F302-H311 AromaticContact CZ-CD2 3.34Å; F302-H311 WeakPolarHBondContact CZ-CD2 3.4Å; F302-H311 AromaticContact CZ-CG 3.32Å
303	R	76.5	Confident	75.1	Confident	140 Å²	140	76.4 Å²	76.4	53%	0.528	39%	0.388	S	S	.	.	S	Bend	trans	-68.7	-29	176.5	-162.1	175.5	-155	-179	12.8	113.5	D290	D290-R303 VanDerWaalsContact CG-NH2 3.34Å; D290-R303 WeakPolarHBondContact O-CG 3.34Å; D290-R303 IonicContact OD1-CZ 3.49Å; D290-R303 IonicContact OD1-NE 3.15Å; D290-R303 PolarHBondContact OD1-NE 3.33Å; D290-R303 IonicContact OD1-NH2 2.72Å; D290-R303 PolarHBondContact OD1-NH2 3.27Å; D290-R303 WeakPolarHBondContact OD2-CD 3.29Å; D290-R303 IonicContact OD2-CZ 2.81Å; D290-R303 VanDerWaalsContact OD2-CZ 3.27Å; D290-R303 IonicContact OD2-NE 3.83Å; D290-R303 PolarHBondContact OD2-NE 3.13Å; D290-R303 IonicContact OD2-NH2 2.72Å; D290-R303 PolarHBondContact OD2-NH2 3.39Å
304	H	76.3	Confident	74.4	Confident	101 Å²	101	77.8 Å²	77.8	47%	0.468	40%	0.402	S	S	.	.	S	Bend	trans	-139.3	137.5	-173	-54.8	-38.5	0	0	0	112.4	F302 P306 N307 L308	F302-H304 VanDerWaalsContact C-N 3.35Å; H304-P306 VanDerWaalsContact C-CD 3.46Å; H304-N307 WeakPolarHBondContact O-CB 3.5Å; H304-N307 PolarHBondContact O-N 2.96Å; H304-L308 PolarHBondContact O-N 3.34Å
305	K	73.6	Confident	73.9	Confident	132 Å²	132	76.4 Å²	76.4	57%	0.574	40%	0.395	S	S	*	.	H	α-helix	trans	-52.2	-39.9	-179.6	-160.4	173.5	-178.2	175	0	114.4	F293 N307 L308 I309	F293-K305 HydrophobicContact CD1-CB 3.8Å; F293-K305 HydrophobicContact CD1-CG 4.01Å; F293-K305 HydrophobicContact CD2-CB 4.49Å; F293-K305 VanDerWaalsContact CD2-N 3.26Å; F293-K305 HydrophobicContact CE1-CB 3.67Å; F293-K305 HydrophobicContact CE1-CD 4.21Å; F293-K305 HydrophobicContact CE1-CG 4.05Å; F293-K305 HydrophobicContact CE2-CB 4.36Å; F293-K305 HydrophobicContact CG-CB 4.22Å; F293-K305 HydrophobicContact CZ-CB 3.96Å; K305-N307 VanDerWaalsContact C-N 3.28Å; K305-N307 PolarHBondContact O-N 3.04Å; K305-L308 PolarHBondContact O-N 2.89Å; K305-I309 HydrophobicContact CG-CD1 4.18Å; K305-I309 WeakPolarHBondContact O-CG1 3.43Å; K305-I309 PolarHBondContact O-N 2.96Å
306	P	74.5	Confident	73.2	Confident	89 Å²	89	80 Å²	80	58%	0.578	42%	0.417	S	S	*	.	H	α-helix	trans	-61.3	-32.7	175.1	-25.4	36.6	0	0	0	113.9	H304 I309 A310	H304-P306 VanDerWaalsContact C-CD 3.46Å; P306-I309 PolarHBondContact O-N 2.94Å; P306-A310 VanDerWaalsContact O-CB 3.26Å; P306-A310 WeakPolarHBondContact O-CB 3.36Å; P306-A310 PolarHBondContact O-N 2.98Å
307	N	75.8	Confident	72.5	Confident	80 Å²	80	77.5 Å²	77.5	43%	0.428	40%	0.401	S	S	.	.	H	α-helix	trans	-73.6	-34.2	178.9	-62.5	5.4	0	0	0	111.1	F302 H304 K305 H311	F302-N307 HydrophobicContact CB-CB 4.34Å; F302-N307 HydrophobicContact CD1-CB 3.88Å; F302-N307 HydrophobicContact CG-CB 4.41Å; H304-N307 WeakPolarHBondContact O-CB 3.5Å; H304-N307 PolarHBondContact O-N 2.96Å; K305-N307 VanDerWaalsContact C-N 3.28Å; K305-N307 PolarHBondContact O-N 3.04Å; N307-H311 VanDerWaalsContact O-CB 3.31Å; N307-H311 WeakPolarHBondContact O-CB 3.46Å; N307-H311 PolarHBondContact O-N 3Å
308	L	77.9	Confident	72.1	Confident	22 Å²	22	77.8 Å²	77.8	12%	0.115	40%	0.395	C	S	.	.	H	α-helix	trans	-65.4	-44.8	169.8	170.9	60.8	0	0	0	111.4	F293 Q294 C295 F302 H304 K305 A310 H311 R312	F293-L308 HydrophobicContact CB-CB 4.05Å; F293-L308 HydrophobicContact CB-CD2 3.86Å; Q294-L308 VanDerWaalsContact O-CD2 3.28Å; Q294-L308 WeakPolarHBondContact O-CD2 3.44Å; C295-L308 HydrophobicContact CB-CD1 3.57Å; F302-L308 HydrophobicContact CB-CB 4.31Å; F302-L308 HydrophobicContact CD2-CB 4.06Å; F302-L308 HydrophobicContact CD2-CD1 4.01Å; F302-L308 HydrophobicContact CE2-CD1 4.26Å; F302-L308 HydrophobicContact CG-CB 4.3Å; H304-L308 PolarHBondContact O-N 3.34Å; K305-L308 PolarHBondContact O-N 2.89Å; L308-A310 PolarHBondContact O-N 3.07Å; L308-H311 CarbonylContact O-C 3.48Å; L308-H311 PolarHBondContact O-N 2.88Å; L308-H311 VanDerWaalsContact O-N 3.11Å; L308-R312 HydrophobicContact CD1-CG 4.31Å; L308-R312 PolarHBondContact O-N 3.16Å
309	I	73.1	Confident	71.8	Confident	80 Å²	80	81.8 Å²	81.8	41%	0.41	40%	0.403	S	S	.	.	H	α-helix	trans	-61.7	-45.3	177.4	-66.9	164.2	0	0	0	110.5	K305 P306 H311 R312 R313	K305-I309 HydrophobicContact CG-CD1 4.18Å; K305-I309 WeakPolarHBondContact O-CG1 3.43Å; K305-I309 PolarHBondContact O-N 2.96Å; P306-I309 PolarHBondContact O-N 2.94Å; I309-H311 PolarHBondContact O-N 2.9Å; I309-R312 PolarHBondContact O-N 3.34Å; I309-R313 PolarHBondContact O-N 2.81Å
310	A	69.4	Low	71.6	Confident	9 Å²	9	83 Å²	83	7%	0.074	40%	0.404	C	S	.	.	H	α-helix	trans	-57.9	-34.1	172.5	0	0	0	0	0	113.6	P306 L308 N332	P306-A310 VanDerWaalsContact O-CB 3.26Å; P306-A310 WeakPolarHBondContact O-CB 3.36Å; P306-A310 PolarHBondContact O-N 2.98Å; L308-A310 PolarHBondContact O-N 3.07Å; A310-N332 VanDerWaalsContact CB-ND2 3.32Å; A310-N332 WeakPolarHBondContact CB-ND2 3.39Å; A310-N332 WeakPolarHBondContact CB-OD1 3.26Å
311	H	75.3	Confident	71.6	Confident	23 Å²	23	79.4 Å²	79.4	11%	0.106	39%	0.389	C	S	.	.	H	α-helix	trans	-79.2	-35	177.9	171.9	50.8	0	0	0	113	C298 F302 N307 L308 I309 R313 V314 H315	C298-H311 PolarHBondContact SG-NE2 3.49Å; F302-H311 HydrophobicContact CE1-CB 3.99Å; F302-H311 HydrophobicContact CE2-CB 3.93Å; F302-H311 AromaticContact CE2-CD2 3.28Å; F302-H311 WeakPolarHBondContact CE2-CD2 3.31Å; F302-H311 AromaticContact CE2-CG 3.73Å; F302-H311 HydrophobicContact CZ-CB 3.46Å; F302-H311 VanDerWaalsContact CZ-CB 3.46Å; F302-H311 AromaticContact CZ-CD2 3.34Å; F302-H311 WeakPolarHBondContact CZ-CD2 3.4Å; F302-H311 AromaticContact CZ-CG 3.32Å; N307-H311 VanDerWaalsContact O-CB 3.31Å; N307-H311 WeakPolarHBondContact O-CB 3.46Å; N307-H311 PolarHBondContact O-N 3Å; L308-H311 CarbonylContact O-C 3.48Å; L308-H311 PolarHBondContact O-N 2.88Å; L308-H311 VanDerWaalsContact O-N 3.11Å; I309-H311 PolarHBondContact O-N 2.9Å; H311-R313 PolarHBondContact O-N 3.49Å; H311-V314 VanDerWaalsContact O-CB 3.24Å; H311-V314 WeakPolarHBondContact O-CB 3.28Å; H311-V314 WeakPolarHBondContact O-CG2 3.41Å; H311-V314 PolarHBondContact O-N 2.88Å; H311-H315 AromaticContact CE1-NE2 3.45Å; H311-H315 PolarHBondContact CE1-NE2 3.41Å; H311-H315 AromaticContact NE2-NE2 3.29Å; H311-H315 PolarHBondContact NE2-NE2 3.27Å
312	R	71.1	Confident	71.5	Confident	139 Å²	139	79.6 Å²	79.6	53%	0.525	39%	0.394	S	S	.	.	H	α-helix	trans	-57.1	-32.2	174.1	-74.3	-176.8	71.2	-132.6	2.4	112.2	L308 I309 V314 H315 T316	L308-R312 HydrophobicContact CD1-CG 4.31Å; L308-R312 PolarHBondContact O-N 3.16Å; I309-R312 PolarHBondContact O-N 3.34Å; R312-V314 PolarHBondContact O-N 3.16Å; R312-H315 WeakPolarHBondContact O-CB 3.47Å; R312-H315 PolarHBondContact O-N 3.48Å; R312-T316 PolarHBondContact O-N 2.91Å; R312-T316 VanDerWaalsContact O-N 3.08Å
313	R	73.3	Confident	71.3	Confident	60 Å²	60	77.4 Å²	77.4	23%	0.226	39%	0.385	C	S	.	.	H	α-helix	trans	-63.8	-12.6	172.4	-67.2	-174.7	169.8	157.6	3.4	115.5	I309 H311 G317 E318 T331	I309-R313 PolarHBondContact O-N 2.81Å; H311-R313 PolarHBondContact O-N 3.49Å; R313-G317 CarbonylContact O-C 3.56Å; R313-G317 PolarHBondContact O-N 2.87Å; R313-E318 HydrophobicContact CB-CB 4.05Å; R313-E318 WeakPolarHBondContact CB-O 3.27Å; R313-E318 HydrophobicContact CG-CB 3.87Å; R313-E318 IonicContact NE-OE2 2.89Å; R313-E318 PolarHBondContact NE-OE2 2.68Å; R313-E318 PolarHBondContact O-N 2.88Å; R313-T331 HydrophobicContact CB-CG2 4.06Å; R313-T331 PolarHBondContact NH1-O 3.03Å
314	V	64.7	Low	71.1	Confident	97 Å²	97	75.7 Å²	75.7	59%	0.588	39%	0.391	S	S	*	.	H	α-helix	trans	-76	-32.1	169	-176.3	0	0	0	0	110.5	H311 R312	H311-V314 VanDerWaalsContact O-CB 3.24Å; H311-V314 WeakPolarHBondContact O-CB 3.28Å; H311-V314 WeakPolarHBondContact O-CG2 3.41Å; H311-V314 PolarHBondContact O-N 2.88Å; R312-V314 PolarHBondContact O-N 3.16Å
315	H	67.6	Low	70.8	Confident	82 Å²	82	74.3 Å²	74.3	38%	0.38	39%	0.385	S	S	.	.	H	α-helix	trans	-84.5	-35.9	178.3	-56.4	-59.6	0	0	0	112.3	C298 H311 R312 G317	C298-H315 VanDerWaalsContact SG-CE1 3.5Å; C298-H315 PolarHBondContact SG-NE2 3.34Å; H311-H315 AromaticContact CE1-NE2 3.45Å; H311-H315 PolarHBondContact CE1-NE2 3.41Å; H311-H315 AromaticContact NE2-NE2 3.29Å; H311-H315 PolarHBondContact NE2-NE2 3.27Å; R312-H315 WeakPolarHBondContact O-CB 3.47Å; R312-H315 PolarHBondContact O-N 3.48Å; H315-G317 VanDerWaalsContact C-N 3.31Å
316	T	64.4	Low	70.7	Confident	77 Å²	77	70 Å²	70	47%	0.472	37%	0.372	S	S	.	.	S	Bend	trans	-85.2	2.5	176.1	62.5	0	0	0	0	114	R312 E318	R312-T316 PolarHBondContact O-N 2.91Å; R312-T316 VanDerWaalsContact O-N 3.08Å; T316-E318 WeakPolarHBondContact CB-OE1 3.12Å; T316-E318 PolarHBondContact O-N 2.81Å; T316-E318 WeakPolarHBondContact OG1-CG 3.16Å; T316-E318 PolarHBondContact OG1-OE1 2.75Å
317	G	59.1	Low	70.4	Confident	53 Å²	53	67.5 Å²	67.5	55%	0.546	36%	0.362	S	S	.	.			trans	65.7	-8.6	-176.1	0	0	0	0	0	115.8	R313 H315 R319	R313-G317 CarbonylContact O-C 3.56Å; R313-G317 PolarHBondContact O-N 2.87Å; H315-G317 VanDerWaalsContact C-N 3.31Å; G317-R319 PolarHBondContact O-N 3.22Å
318	E	63.9	Low	70.1	Confident	88 Å²	88	69.3 Å²	69.3	41%	0.411	37%	0.366	S	S	.	.			trans	-53.5	117.3	-176.3	-82.9	171.7	-113.5	0	0	113.1	R313 T316 P320	R313-E318 HydrophobicContact CB-CB 4.05Å; R313-E318 WeakPolarHBondContact CB-O 3.27Å; R313-E318 HydrophobicContact CG-CB 3.87Å; R313-E318 IonicContact NE-OE2 2.89Å; R313-E318 PolarHBondContact NE-OE2 2.68Å; R313-E318 PolarHBondContact O-N 2.88Å; T316-E318 WeakPolarHBondContact CB-OE1 3.12Å; T316-E318 PolarHBondContact O-N 2.81Å; T316-E318 WeakPolarHBondContact OG1-CG 3.16Å; T316-E318 PolarHBondContact OG1-OE1 2.75Å; E318-P320 HydrophobicContact CB-CG 4.31Å; E318-P320 WeakPolarHBondContact O-CD 3.22Å
319	R	67.4	Low	69.6	Low	133 Å²	133	74.5 Å²	74.5	50%	0.502	38%	0.384	S	S	.	.			trans	-124.5	78.5	170	-62.6	166.5	75.2	158.1	0.9	108.5	G317 H321 R329 F330 T331	G317-R319 PolarHBondContact O-N 3.22Å; R319-H321 VanDerWaalsContact C-N 3.26Å; R319-H321 PolarHBondContact O-N 3.42Å; R319-R329 HydrophobicContact CB-CB 3.44Å; R319-R329 VanDerWaalsContact CB-CB 3.44Å; R319-R329 VanDerWaalsContact CZ-O 3.25Å; R319-R329 PolarHBondContact NE-O 2.8Å; R319-R329 PolarHBondContact NH2-O 3.19Å; R319-R329 PolarHBondContact O-NE 2.85Å; R319-R329 PolarHBondContact O-NH2 2.81Å; R319-F330 CarbonylContact C-O 3.52Å; R319-F330 WeakPolarHBondContact CA-O 3.41Å; R319-T331 HydrophobicContact CG-CG2 4.31Å
320	P	70.5	Confident	69.7	Low	63 Å²	63	72.7 Å²	72.7	41%	0.409	37%	0.373	S	S	.	.			trans	-76	-8	-169	-17.5	34	0	0	0	114.8	E318	E318-P320 HydrophobicContact CB-CG 4.31Å; E318-P320 WeakPolarHBondContact O-CD 3.22Å
321	H	75.6	Confident	69.6	Low	50 Å²	50	73.9 Å²	73.9	23%	0.231	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	87.2	-174.5	-56.5	-58.9	0	0	0	110.2	R319 R329 F330 K333 L336	R319-H321 VanDerWaalsContact C-N 3.26Å; R319-H321 PolarHBondContact O-N 3.42Å; H321-R329 CarbonylContact O-C 3.56Å; H321-F330 HydrophobicContact CB-CB 4.32Å; H321-F330 PolarHBondContact N-O 3.34Å; H321-F330 VanDerWaalsContact N-O 3.1Å; H321-F330 PolarHBondContact O-N 3.17Å; H321-K333 PolarHBondContact CD2-N 2.91Å; H321-K333 PolarHBondContact NE2-N 3.34Å; H321-L336 HydrophobicContact CB-CB 4.2Å; H321-L336 HydrophobicContact CB-CD2 3.86Å
322	Q	73.5	Confident	69.4	Low	108 Å²	108	74.5 Å²	74.5	51%	0.505	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	140.6	176.4	-173.4	161.1	-14.8	0	0	111.6	R329 L336	Q322-R329 HydrophobicContact CB-CG 4.18Å; Q322-R329 HydrophobicContact CG-CG 4.15Å; Q322-L336 VanDerWaalsContact O-CD2 3.32Å; Q322-L336 WeakPolarHBondContact O-CD2 3.47Å
323	C	74.8	Confident	69.4	Low	0 Å²	0	74.8 Å²	74.8	0%	0	39%	0.388	C	S	.	.			trans	-80.2	120	165.4	-165.8	0	0	0	0	108.9	E325 G327 K328 F330 L336	C323-E325 VanDerWaalsContact C-N 3.25Å; C323-E325 PolarHBondContact O-N 3.17Å; C323-G327 WeakPolarHBondContact O-CA 3.38Å; C323-G327 PolarHBondContact O-N 3.42Å; C323-K328 WeakPolarHBondContact CB-O 3.31Å; C323-K328 PolarHBondContact N-O 3.07Å; C323-F330 HydrophobicContact CB-CE2 4.41Å; C323-L336 HydrophobicContact CB-CD1 3.65Å
324	P	71.3	Confident	69.4	Low	103 Å²	103	76.4 Å²	76.4	67%	0.669	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-33.8	178.7	27.1	-33.3	0	0	0	111.3	C326	P324-C326 VanDerWaalsContact C-N 3.33Å; P324-C326 PolarHBondContact O-N 3.01Å
325	E	71.3	Confident	69.6	Low	72 Å²	72	78.9 Å²	78.9	34%	0.336	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.1	-174.3	-63.7	131.1	-121.9	0	0	114.9	C323 R340 H343	C323-E325 VanDerWaalsContact C-N 3.25Å; C323-E325 PolarHBondContact O-N 3.17Å; E325-R340 IonicContact OE1-CZ 3.19Å; E325-R340 IonicContact OE1-NE 3.7Å; E325-R340 PolarHBondContact OE1-NE 2.79Å; E325-R340 IonicContact OE1-NH2 3.87Å; E325-R340 PolarHBondContact OE1-NH2 2.82Å; E325-R340 IonicContact OE2-NE 3.67Å; E325-H343 HydrophobicContact CB-CB 4.32Å; E325-H343 VanDerWaalsContact OE2-CB 3.24Å; E325-H343 WeakPolarHBondContact OE2-CB 3.27Å; E325-H343 IonicContact OE2-CD2 3.29Å; E325-H343 PolarHBondContact OE2-CD2 3.2Å; E325-H343 IonicContact OE2-CG 2.73Å
326	C	69.7	Low	69.9	Low	43 Å²	43	76 Å²	76	29%	0.291	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161	17.6	176.5	67.8	0	0	0	0	116	P324 K328 H339 H343	P324-C326 VanDerWaalsContact C-N 3.33Å; P324-C326 PolarHBondContact O-N 3.01Å; C326-K328 PolarHBondContact O-N 3.36Å; C326-H339 PolarHBondContact SG-NE2 3.36Å; C326-H343 WeakPolarHBondContact CB-NE2 3.32Å; C326-H343 PolarHBondContact SG-NE2 3.39Å
327	G	69.4	Low	70.4	Confident	36 Å²	36	76 Å²	76	37%	0.371	39%	0.394	S	S	.	.			trans	66.9	-11.2	179.5	0	0	0	0	0	116.7	C323 R329	C323-G327 WeakPolarHBondContact O-CA 3.38Å; C323-G327 PolarHBondContact O-N 3.42Å; G327-R329 WeakPolarHBondContact O-CG 3.45Å; G327-R329 PolarHBondContact O-N 3.34Å; G327-R329 VanDerWaalsContact O-N 3.17Å
328	K	68.6	Low	70.9	Confident	118 Å²	118	75.4 Å²	75.4	51%	0.513	38%	0.381	S	S	.	.			trans	-63	119	-173.8	-72.1	172	-172.3	161.3	0	111.3	C323 C326 F330	C323-K328 WeakPolarHBondContact CB-O 3.31Å; C323-K328 PolarHBondContact N-O 3.07Å; C326-K328 PolarHBondContact O-N 3.36Å; K328-F330 HydrophobicContact CB-CE2 3.88Å; K328-F330 HydrophobicContact CB-CZ 4.14Å; K328-F330 VanDerWaalsContact O-CD2 3.27Å; K328-F330 WeakPolarHBondContact O-CD2 3.46Å; K328-F330 WeakPolarHBondContact O-CE2 3.49Å
329	R	68.7	Low	71.4	Confident	130 Å²	130	72.2 Å²	72.2	49%	0.491	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.2	-177.2	-54.3	178	67.5	160.2	3.6	111.9	R319 H321 Q322 G327	R319-R329 HydrophobicContact CB-CB 3.44Å; R319-R329 VanDerWaalsContact CB-CB 3.44Å; R319-R329 VanDerWaalsContact CZ-O 3.25Å; R319-R329 PolarHBondContact NE-O 2.8Å; R319-R329 PolarHBondContact NH2-O 3.19Å; R319-R329 PolarHBondContact O-NE 2.85Å; R319-R329 PolarHBondContact O-NH2 2.81Å; H321-R329 CarbonylContact O-C 3.56Å; Q322-R329 HydrophobicContact CB-CG 4.18Å; Q322-R329 HydrophobicContact CG-CG 4.15Å; G327-R329 WeakPolarHBondContact O-CG 3.45Å; G327-R329 PolarHBondContact O-N 3.34Å; G327-R329 VanDerWaalsContact O-N 3.17Å
330	F	73.8	Confident	71.6	Confident	42 Å²	42	71.1 Å²	71.1	18%	0.184	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.4	-178.3	-63.7	-88.4	0	0	0	112.2	R319 H321 C323 K328 L336 H339	R319-F330 CarbonylContact C-O 3.52Å; R319-F330 WeakPolarHBondContact CA-O 3.41Å; H321-F330 HydrophobicContact CB-CB 4.32Å; H321-F330 PolarHBondContact N-O 3.34Å; H321-F330 VanDerWaalsContact N-O 3.1Å; H321-F330 PolarHBondContact O-N 3.17Å; C323-F330 HydrophobicContact CB-CE2 4.41Å; K328-F330 HydrophobicContact CB-CE2 3.88Å; K328-F330 HydrophobicContact CB-CZ 4.14Å; K328-F330 VanDerWaalsContact O-CD2 3.27Å; K328-F330 WeakPolarHBondContact O-CD2 3.46Å; K328-F330 WeakPolarHBondContact O-CE2 3.49Å; F330-L336 HydrophobicContact CB-CB 4.31Å; F330-L336 HydrophobicContact CD2-CB 4.04Å; F330-L336 HydrophobicContact CD2-CD1 3.94Å; F330-L336 HydrophobicContact CE2-CD1 4.19Å; F330-L336 HydrophobicContact CG-CB 4.31Å; F330-H339 HydrophobicContact CE1-CB 4.14Å; F330-H339 HydrophobicContact CE2-CB 3.97Å; F330-H339 AromaticContact CE2-CD2 3.28Å; F330-H339 WeakPolarHBondContact CE2-CD2 3.14Å; F330-H339 AromaticContact CE2-CG 3.61Å; F330-H339 AromaticContact CE2-NE2 3.85Å; F330-H339 HydrophobicContact CZ-CB 3.62Å; F330-H339 AromaticContact CZ-CD2 3.38Å; F330-H339 WeakPolarHBondContact CZ-CD2 3.27Å; F330-H339 AromaticContact CZ-CE1 3.96Å; F330-H339 AromaticContact CZ-CG 3.25Å; F330-H339 AromaticContact CZ-ND1 3.64Å; F330-H339 AromaticContact CZ-NE2 3.8Å
331	T	68.1	Low	71.9	Confident	34 Å²	34	70.5 Å²	70.5	21%	0.209	35%	0.352	C	S	.	.	S	Bend	trans	-71.8	-31.4	176.3	48.5	0	0	0	0	112.8	R313 R319	R313-T331 HydrophobicContact CB-CG2 4.06Å; R313-T331 PolarHBondContact NH1-O 3.03Å; R319-T331 HydrophobicContact CG-CG2 4.31Å
332	N	70.9	Confident	71.5	Confident	36 Å²	36	72.2 Å²	72.2	19%	0.193	36%	0.362	C	S	.	.	S	Bend	trans	-132.1	138.5	-176.5	-55.5	-27.9	0	0	0	113.4	A310 Y335 L336	A310-N332 VanDerWaalsContact CB-ND2 3.32Å; A310-N332 WeakPolarHBondContact CB-ND2 3.39Å; A310-N332 WeakPolarHBondContact CB-OD1 3.26Å; N332-Y335 HydrophobicContact CB-CD2 3.92Å; N332-Y335 PolarHBondContact O-N 3.41Å; N332-Y335 VanDerWaalsContact O-N 3.13Å; N332-L336 PolarHBondContact O-N 2.72Å
333	K	71.4	Confident	71.3	Confident	145 Å²	145	71.4 Å²	71.4	63%	0.63	36%	0.358	S	S	*	.	H	α-helix	trans	-54	-41.6	177.6	-166.9	172.6	-177.2	175.2	0	114.7	H321 Y335 L336 T337	H321-K333 PolarHBondContact CD2-N 2.91Å; H321-K333 PolarHBondContact NE2-N 3.34Å; K333-Y335 VanDerWaalsContact C-N 3.31Å; K333-Y335 PolarHBondContact O-N 2.72Å; K333-L336 WeakPolarHBondContact O-CB 3.27Å; K333-L336 PolarHBondContact O-N 3.11Å; K333-L336 VanDerWaalsContact O-N 3.15Å; K333-T337 PolarHBondContact O-N 2.91Å; K333-T337 PolarHBondContact O-OG1 2.86Å
334	P	73.1	Confident	70.9	Confident	95 Å²	95	74.6 Å²	74.6	62%	0.617	38%	0.377	S	S	*	.	H	α-helix	trans	-64.1	-30.8	177.7	-24.8	36.2	0	0	0	114.4	T337 S338	P334-T337 PolarHBondContact O-N 2.99Å; P334-S338 VanDerWaalsContact O-CB 3.3Å; P334-S338 WeakPolarHBondContact O-CB 3.34Å; P334-S338 PolarHBondContact O-N 3.15Å
335	Y	68.3	Low	70.6	Confident	148 Å²	148	71.5 Å²	71.5	58%	0.58	37%	0.365	S	S	*	.	H	α-helix	trans	-72.3	-36.1	173.9	-69.8	-52.1	0	0	0	111.5	N332 K333 S338 H339	N332-Y335 HydrophobicContact CB-CD2 3.92Å; N332-Y335 PolarHBondContact O-N 3.41Å; N332-Y335 VanDerWaalsContact O-N 3.13Å; K333-Y335 VanDerWaalsContact C-N 3.31Å; K333-Y335 PolarHBondContact O-N 2.72Å; Y335-S338 PolarHBondContact O-N 3.26Å; Y335-H339 VanDerWaalsContact O-CB 3.25Å; Y335-H339 WeakPolarHBondContact O-CB 2.94Å; Y335-H339 PolarHBondContact O-N 3.2Å
336	L	74.3	Confident	70.5	Confident	22 Å²	22	72.2 Å²	72.2	12%	0.115	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-47.6	168.8	171.9	60.3	0	0	0	111.4	H321 Q322 C323 F330 N332 K333 S338 H339 R340	H321-L336 HydrophobicContact CB-CB 4.2Å; H321-L336 HydrophobicContact CB-CD2 3.86Å; Q322-L336 VanDerWaalsContact O-CD2 3.32Å; Q322-L336 WeakPolarHBondContact O-CD2 3.47Å; C323-L336 HydrophobicContact CB-CD1 3.65Å; F330-L336 HydrophobicContact CB-CB 4.31Å; F330-L336 HydrophobicContact CD2-CB 4.04Å; F330-L336 HydrophobicContact CD2-CD1 3.94Å; F330-L336 HydrophobicContact CE2-CD1 4.19Å; F330-L336 HydrophobicContact CG-CB 4.31Å; N332-L336 PolarHBondContact O-N 2.72Å; K333-L336 WeakPolarHBondContact O-CB 3.27Å; K333-L336 PolarHBondContact O-N 3.11Å; K333-L336 VanDerWaalsContact O-N 3.15Å; L336-S338 VanDerWaalsContact C-N 3.29Å; L336-S338 PolarHBondContact O-N 2.9Å; L336-H339 CarbonylContact O-C 3.6Å; L336-H339 WeakPolarHBondContact O-CA 3.49Å; L336-H339 WeakPolarHBondContact O-CB 3.5Å; L336-H339 PolarHBondContact O-N 2.84Å; L336-R340 HydrophobicContact CD1-CG 4.01Å; L336-R340 HydrophobicContact CG-CG 4.48Å; L336-R340 PolarHBondContact O-N 3.1Å
337	T	74.6	Confident	70.5	Confident	77 Å²	77	75.2 Å²	75.2	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-39.9	176.3	-54.1	0	0	0	0	111.9	K333 P334 H339	K333-T337 PolarHBondContact O-N 2.91Å; K333-T337 PolarHBondContact O-OG1 2.86Å; P334-T337 PolarHBondContact O-N 2.99Å; T337-H339 VanDerWaalsContact C-N 3.27Å; T337-H339 PolarHBondContact O-N 2.83Å
338	S	69.4	Low	70.8	Confident	40 Å²	40	75.9 Å²	75.9	28%	0.28	37%	0.374	S	S	.	.	H	α-helix	trans	-65.6	-29	173.3	-172.6	0	0	0	0	112.9	P334 Y335 L336 H360	P334-S338 VanDerWaalsContact O-CB 3.3Å; P334-S338 WeakPolarHBondContact O-CB 3.34Å; P334-S338 PolarHBondContact O-N 3.15Å; Y335-S338 PolarHBondContact O-N 3.26Å; L336-S338 VanDerWaalsContact C-N 3.29Å; L336-S338 PolarHBondContact O-N 2.9Å; S338-H360 PolarHBondContact OG-CE1 2.79Å; S338-H360 PolarHBondContact OG-ND1 2.84Å
339	H	74.3	Confident	71.2	Confident	22 Å²	22	73.6 Å²	73.6	10%	0.102	36%	0.363	C	S	.	.	H	α-helix	trans	-82.4	-37.5	179.2	175.3	69.6	0	0	0	113.4	C326 F330 Y335 L336 T337 R341 I342	C326-H339 PolarHBondContact SG-NE2 3.36Å; F330-H339 HydrophobicContact CE1-CB 4.14Å; F330-H339 HydrophobicContact CE2-CB 3.97Å; F330-H339 AromaticContact CE2-CD2 3.28Å; F330-H339 WeakPolarHBondContact CE2-CD2 3.14Å; F330-H339 AromaticContact CE2-CG 3.61Å; F330-H339 AromaticContact CE2-NE2 3.85Å; F330-H339 HydrophobicContact CZ-CB 3.62Å; F330-H339 AromaticContact CZ-CD2 3.38Å; F330-H339 WeakPolarHBondContact CZ-CD2 3.27Å; F330-H339 AromaticContact CZ-CE1 3.96Å; F330-H339 AromaticContact CZ-CG 3.25Å; F330-H339 AromaticContact CZ-ND1 3.64Å; F330-H339 AromaticContact CZ-NE2 3.8Å; Y335-H339 VanDerWaalsContact O-CB 3.25Å; Y335-H339 WeakPolarHBondContact O-CB 2.94Å; Y335-H339 PolarHBondContact O-N 3.2Å; L336-H339 CarbonylContact O-C 3.6Å; L336-H339 WeakPolarHBondContact O-CA 3.49Å; L336-H339 WeakPolarHBondContact O-CB 3.5Å; L336-H339 PolarHBondContact O-N 2.84Å; T337-H339 VanDerWaalsContact C-N 3.27Å; T337-H339 PolarHBondContact O-N 2.83Å; H339-R341 PolarHBondContact O-N 3.3Å; H339-R341 VanDerWaalsContact O-N 3.15Å; H339-I342 WeakPolarHBondContact ND1-CD1 3.29Å; H339-I342 WeakPolarHBondContact O-CB 3.41Å; H339-I342 VanDerWaalsContact O-CG1 3.25Å; H339-I342 WeakPolarHBondContact O-CG1 3.43Å; H339-I342 PolarHBondContact O-N 3.34Å
340	R	72.1	Confident	71.2	Confident	110 Å²	110	71 Å²	71	42%	0.415	36%	0.362	S	S	.	.	H	α-helix	trans	-57.3	-31.1	177.8	-71.3	-172	72.5	-139	-1	113.1	E325 L336 I342 H343 T344	E325-R340 IonicContact OE1-CZ 3.19Å; E325-R340 IonicContact OE1-NE 3.7Å; E325-R340 PolarHBondContact OE1-NE 2.79Å; E325-R340 IonicContact OE1-NH2 3.87Å; E325-R340 PolarHBondContact OE1-NH2 2.82Å; E325-R340 IonicContact OE2-NE 3.67Å; L336-R340 HydrophobicContact CD1-CG 4.01Å; L336-R340 HydrophobicContact CG-CG 4.48Å; L336-R340 PolarHBondContact O-N 3.1Å; R340-I342 PolarHBondContact O-N 2.91Å; R340-H343 PolarHBondContact O-N 3.08Å; R340-T344 PolarHBondContact O-N 3.19Å; R340-T344 VanDerWaalsContact O-N 3.11Å
341	R	77.4	Confident	71.4	Confident	50 Å²	50	69.1 Å²	69.1	19%	0.189	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-16.9	170.4	-61.8	-175.2	177.1	164.4	4.2	114.7	H339 T344 E346 Y349 R359	H339-R341 PolarHBondContact O-N 3.3Å; H339-R341 VanDerWaalsContact O-N 3.15Å; R341-T344 WeakPolarHBondContact CA-OG1 3.38Å; R341-E346 HydrophobicContact CB-CB 4.11Å; R341-E346 HydrophobicContact CG-CB 3.98Å; R341-E346 IonicContact NE-OE2 2.82Å; R341-Y349 PolarHBondContact NH1-OH 3.29Å; R341-R359 HydrophobicContact CB-CG 3.73Å; R341-R359 PolarHBondContact NH1-O 2.71Å; R341-R359 PolarHBondContact O-NE 2.83Å; R341-R359 PolarHBondContact O-NH2 2.78Å
342	I	66.2	Low	71.7	Confident	85 Å²	85	77.3 Å²	77.3	44%	0.436	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-43.8	171.4	-62.2	-173.1	0	0	0	110.5	H339 R340 R359	H339-I342 WeakPolarHBondContact ND1-CD1 3.29Å; H339-I342 WeakPolarHBondContact O-CB 3.41Å; H339-I342 VanDerWaalsContact O-CG1 3.25Å; H339-I342 WeakPolarHBondContact O-CG1 3.43Å; H339-I342 PolarHBondContact O-N 3.34Å; R340-I342 PolarHBondContact O-N 2.91Å; I342-R359 VanDerWaalsContact CA-CZ 3.5Å; I342-R359 PolarHBondContact O-NH2 3.04Å
343	H	69.3	Low	71.8	Confident	91 Å²	91	80.3 Å²	80.3	42%	0.421	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-48.9	-179	-51.6	-66.7	0	0	0	112.1	E325 C326 R340 G345	E325-H343 HydrophobicContact CB-CB 4.32Å; E325-H343 VanDerWaalsContact OE2-CB 3.24Å; E325-H343 WeakPolarHBondContact OE2-CB 3.27Å; E325-H343 IonicContact OE2-CD2 3.29Å; E325-H343 PolarHBondContact OE2-CD2 3.2Å; E325-H343 IonicContact OE2-CG 2.73Å; C326-H343 WeakPolarHBondContact CB-NE2 3.32Å; C326-H343 PolarHBondContact SG-NE2 3.39Å; R340-H343 PolarHBondContact O-N 3.08Å; H343-G345 PolarHBondContact O-N 2.88Å
344	T	67.3	Low	71.9	Confident	67 Å²	67	75.9 Å²	75.9	41%	0.411	39%	0.387	S	S	.	.	S	Bend	trans	-68.8	4.8	-178.5	64.3	0	0	0	0	114.4	R340 R341 E346	R340-T344 PolarHBondContact O-N 3.19Å; R340-T344 VanDerWaalsContact O-N 3.11Å; R341-T344 WeakPolarHBondContact CA-OG1 3.38Å; T344-E346 WeakPolarHBondContact CB-OE1 3.49Å; T344-E346 PolarHBondContact O-N 3.29Å; T344-E346 VanDerWaalsContact OG1-CD 3.31Å; T344-E346 WeakPolarHBondContact OG1-CG 3.42Å; T344-E346 PolarHBondContact OG1-OE1 3.33Å
345	G	64	Low	71.7	Confident	39 Å²	39	73.7 Å²	73.7	40%	0.402	38%	0.382	S	S	.	.			trans	66.8	-14.2	-177.7	0	0	0	0	0	115.5	H343 K347	H343-G345 PolarHBondContact O-N 2.88Å; G345-K347 PolarHBondContact O-N 2.93Å
346	E	69.5	Low	71.5	Confident	87 Å²	87	74.6 Å²	74.6	41%	0.407	38%	0.384	S	S	.	.			trans	-46.2	124.5	-169.1	-84	172	-111.7	0	0	114.1	R341 T344 P348	R341-E346 HydrophobicContact CB-CB 4.11Å; R341-E346 HydrophobicContact CG-CB 3.98Å; R341-E346 IonicContact NE-OE2 2.82Å; T344-E346 WeakPolarHBondContact CB-OE1 3.49Å; T344-E346 PolarHBondContact O-N 3.29Å; T344-E346 VanDerWaalsContact OG1-CD 3.31Å; T344-E346 WeakPolarHBondContact OG1-CG 3.42Å; T344-E346 PolarHBondContact OG1-OE1 3.33Å; E346-P348 HydrophobicContact CB-CG 4.34Å
347	K	70.9	Confident	71.2	Confident	105 Å²	105	81.3 Å²	81.3	46%	0.457	41%	0.408	S	S	.	.			trans	-125.8	79.8	171.3	-66.4	155.9	-174.9	171.6	0	108.9	G345 Y349 R357 F358	G345-K347 PolarHBondContact O-N 2.93Å; K347-Y349 PolarHBondContact O-N 3.45Å; K347-R357 HydrophobicContact CB-CB 3.44Å; K347-R357 VanDerWaalsContact CB-CB 3.44Å; K347-R357 HydrophobicContact CD-CB 4.18Å; K347-R357 WeakPolarHBondContact CD-O 3.47Å; K347-R357 HydrophobicContact CG-CB 4.35Å; K347-R357 PolarHBondContact O-NE 3.39Å; K347-F358 CarbonylContact C-O 3.52Å; K347-F358 VanDerWaalsContact CA-O 3.27Å; K347-F358 WeakPolarHBondContact CA-O 3.28Å
348	P	75.5	Confident	71.1	Confident	51 Å²	51	79.7 Å²	79.7	33%	0.331	39%	0.394	S	S	.	.			trans	-76	-3.8	-171.5	-17.8	34.1	0	0	0	115	E346 P350	E346-P348 HydrophobicContact CB-CG 4.34Å; P348-P350 VanDerWaalsContact O-CD 3.3Å; P348-P350 WeakPolarHBondContact O-CD 3.32Å
349	Y	76.5	Confident	71	Confident	70 Å²	70	81 Å²	81	28%	0.275	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	84.9	-175	-52.4	-73.8	0	0	0	110.1	R341 K347 F358 R359 H360 K361	R341-Y349 PolarHBondContact NH1-OH 3.29Å; K347-Y349 PolarHBondContact O-N 3.45Å; Y349-F358 WeakPolarHBondContact CD2-O 3.28Å; Y349-F358 PolarHBondContact N-O 2.78Å; Y349-F358 VanDerWaalsContact N-O 3.07Å; Y349-F358 PolarHBondContact O-N 3.1Å; Y349-R359 WeakPolarHBondContact CE2-O 3.49Å; Y349-H360 VanDerWaalsContact CD2-C 3.41Å; Y349-K361 HydrophobicContact CD1-CB 4.03Å; Y349-K361 HydrophobicContact CD1-CG 4.49Å; Y349-K361 HydrophobicContact CE1-CB 3.96Å; Y349-K361 HydrophobicContact CG-CB 4.37Å
350	P	69.4	Low	70.8	Confident	74 Å²	74	82.6 Å²	82.6	48%	0.481	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	145.1	173	29.8	-34.5	0	0	0	111.5	P348 R357 L364	P348-P350 VanDerWaalsContact O-CD 3.3Å; P348-P350 WeakPolarHBondContact O-CD 3.32Å; P350-R357 HydrophobicContact CB-CG 4.29Å; P350-L364 VanDerWaalsContact O-CD2 3.32Å; P350-L364 WeakPolarHBondContact O-CD2 3.24Å
351	C	76.4	Confident	70.7	Confident	3 Å²	3	83.3 Å²	83.3	2%	0.02	41%	0.407	C	S	.	.			trans	-81.9	130	163.1	170.7	0	0	0	0	109.1	E353 C354 G355 R356 F358 L364 H371	C351-E353 PolarHBondContact SG-OE2 2.81Å; C351-C354 PolarHBondContact SG-SG 3.23Å; C351-G355 VanDerWaalsContact O-CA 3.3Å; C351-G355 WeakPolarHBondContact O-CA 3.43Å; C351-G355 PolarHBondContact O-N 3.23Å; C351-R356 VanDerWaalsContact CB-O 3.32Å; C351-R356 WeakPolarHBondContact CB-O 3.17Å; C351-R356 PolarHBondContact N-O 2.93Å; C351-F358 HydrophobicContact CB-CE2 4.27Å; C351-L364 HydrophobicContact CB-CD1 3.65Å; C351-H371 PolarHBondContact SG-CD2 3.45Å; C351-H371 PolarHBondContact SG-NE2 3.15Å
352	K	75.6	Confident	70.3	Confident	207 Å²	207	85 Å²	85	90%	0.9	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-38	179.8	-69.9	-168.9	172.8	-166.2	0	111.4	C354	K352-C354 PolarHBondContact O-N 2.89Å
353	E	72.3	Confident	70.4	Confident	98 Å²	98	84.8 Å²	84.8	46%	0.458	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-16.9	-172.7	-49.7	103.2	128.6	0	0	114.4	C351 H371	C351-E353 PolarHBondContact SG-OE2 2.81Å; E353-H371 HydrophobicContact CB-CB 3.86Å; E353-H371 HydrophobicContact CG-CB 3.96Å; E353-H371 IonicContact OE1-CD2 2.94Å; E353-H371 IonicContact OE2-CD2 2.93Å
354	C	74.7	Confident	70.5	Confident	52 Å²	52	81.9 Å²	81.9	35%	0.351	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.3	15.4	-177.8	74.1	0	0	0	0	115.6	C351 K352 R356 H367 H371	C351-C354 PolarHBondContact SG-SG 3.23Å; K352-C354 PolarHBondContact O-N 2.89Å; C354-R356 PolarHBondContact O-N 2.8Å; C354-H367 PolarHBondContact SG-NE2 3.36Å; C354-H371 PolarHBondContact SG-CE1 3.15Å; C354-H371 PolarHBondContact SG-NE2 3.34Å
355	G	68.1	Low	70.8	Confident	50 Å²	50	83.4 Å²	83.4	52%	0.515	42%	0.416	S	S	.	.			trans	67	-16	179.7	0	0	0	0	0	116.7	C351 R357	C351-G355 VanDerWaalsContact O-CA 3.3Å; C351-G355 WeakPolarHBondContact O-CA 3.43Å; C351-G355 PolarHBondContact O-N 3.23Å; G355-R357 VanDerWaalsContact O-CG 3.28Å; G355-R357 WeakPolarHBondContact O-CG 3.38Å; G355-R357 PolarHBondContact O-N 3.28Å
356	R	64.3	Low	70.9	Confident	166 Å²	166	83.9 Å²	83.9	63%	0.626	41%	0.413	S	S	*	.			trans	-56.4	123.7	-174.4	-71.6	-178.1	179.8	-164.6	1.6	111.7	C351 C354 F358	C351-R356 VanDerWaalsContact CB-O 3.32Å; C351-R356 WeakPolarHBondContact CB-O 3.17Å; C351-R356 PolarHBondContact N-O 2.93Å; C354-R356 PolarHBondContact O-N 2.8Å; R356-F358 HydrophobicContact CB-CE2 3.91Å; R356-F358 HydrophobicContact CB-CZ 4.18Å; R356-F358 WeakPolarHBondContact O-CD2 3.25Å; R356-F358 WeakPolarHBondContact O-CE2 3.49Å
357	R	67.6	Low	71	Confident	163 Å²	163	80.4 Å²	80.4	62%	0.615	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.6	-173.1	-53.3	179	63.9	161.5	2.1	112	K347 P350 G355	K347-R357 HydrophobicContact CB-CB 3.44Å; K347-R357 VanDerWaalsContact CB-CB 3.44Å; K347-R357 HydrophobicContact CD-CB 4.18Å; K347-R357 WeakPolarHBondContact CD-O 3.47Å; K347-R357 HydrophobicContact CG-CB 4.35Å; K347-R357 PolarHBondContact O-NE 3.39Å; P350-R357 HydrophobicContact CB-CG 4.29Å; G355-R357 VanDerWaalsContact O-CG 3.28Å; G355-R357 WeakPolarHBondContact O-CG 3.38Å; G355-R357 PolarHBondContact O-N 3.28Å
358	F	72.5	Confident	70.9	Confident	44 Å²	44	76.8 Å²	76.8	19%	0.193	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.9	-178.1	-63.1	-88.8	0	0	0	112.8	K347 Y349 C351 R356 N363 L364 H367	K347-F358 CarbonylContact C-O 3.52Å; K347-F358 VanDerWaalsContact CA-O 3.27Å; K347-F358 WeakPolarHBondContact CA-O 3.28Å; Y349-F358 WeakPolarHBondContact CD2-O 3.28Å; Y349-F358 PolarHBondContact N-O 2.78Å; Y349-F358 VanDerWaalsContact N-O 3.07Å; Y349-F358 PolarHBondContact O-N 3.1Å; C351-F358 HydrophobicContact CB-CE2 4.27Å; R356-F358 HydrophobicContact CB-CE2 3.91Å; R356-F358 HydrophobicContact CB-CZ 4.18Å; R356-F358 WeakPolarHBondContact O-CD2 3.25Å; R356-F358 WeakPolarHBondContact O-CE2 3.49Å; F358-N363 HydrophobicContact CB-CB 4.37Å; F358-N363 HydrophobicContact CD1-CB 3.91Å; F358-N363 HydrophobicContact CG-CB 4.43Å; F358-L364 HydrophobicContact CB-CB 4.19Å; F358-L364 HydrophobicContact CD2-CB 3.99Å; F358-L364 HydrophobicContact CD2-CD1 3.96Å; F358-L364 HydrophobicContact CE2-CD1 4.28Å; F358-L364 HydrophobicContact CG-CB 4.2Å; F358-H367 HydrophobicContact CE1-CB 4.03Å; F358-H367 HydrophobicContact CE2-CB 3.92Å; F358-H367 AromaticContact CE2-CD2 3.25Å; F358-H367 WeakPolarHBondContact CE2-CD2 3.26Å; F358-H367 AromaticContact CE2-CG 3.59Å; F358-H367 AromaticContact CE2-NE2 3.92Å; F358-H367 HydrophobicContact CZ-CB 3.53Å; F358-H367 AromaticContact CZ-CD2 3.35Å; F358-H367 WeakPolarHBondContact CZ-CD2 3.25Å; F358-H367 AromaticContact CZ-CG 3.21Å; F358-H367 AromaticContact CZ-ND1 3.73Å; F358-H367 AromaticContact CZ-NE2 3.88Å
359	R	67.8	Low	70.8	Confident	67 Å²	67	77.2 Å²	77.2	25%	0.253	38%	0.382	S	S	.	.	S	Bend	trans	-79	-23.9	179.7	-170.2	171.4	-78.2	153.1	-12.3	114	R341 I342 Y349	R341-R359 HydrophobicContact CB-CG 3.73Å; R341-R359 PolarHBondContact NH1-O 2.71Å; R341-R359 PolarHBondContact O-NE 2.83Å; R341-R359 PolarHBondContact O-NH2 2.78Å; I342-R359 VanDerWaalsContact CA-CZ 3.5Å; I342-R359 PolarHBondContact O-NH2 3.04Å; Y349-R359 WeakPolarHBondContact CE2-O 3.49Å
360	H	70.6	Confident	70.3	Confident	56 Å²	56	77.5 Å²	77.5	26%	0.259	39%	0.388	S	S	.	.	S	Bend	trans	-139.4	139.5	-178.6	-46.3	-63.7	0	0	0	111.8	S338 Y349 N363 L364	S338-H360 PolarHBondContact OG-CE1 2.79Å; S338-H360 PolarHBondContact OG-ND1 2.84Å; Y349-H360 VanDerWaalsContact CD2-C 3.41Å; H360-N363 WeakPolarHBondContact O-CB 3.47Å; H360-N363 PolarHBondContact O-N 3.17Å; H360-L364 PolarHBondContact O-N 2.98Å
361	K	69.6	Low	70.4	Confident	125 Å²	125	75.8 Å²	75.8	54%	0.543	37%	0.373	S	S	.	.	H	α-helix	trans	-55.4	-39.4	-179	-171	172.7	-179.8	175.3	0	114.6	Y349 N363 L364 L365	Y349-K361 HydrophobicContact CD1-CB 4.03Å; Y349-K361 HydrophobicContact CD1-CG 4.49Å; Y349-K361 HydrophobicContact CE1-CB 3.96Å; Y349-K361 HydrophobicContact CG-CB 4.37Å; K361-N363 PolarHBondContact O-N 2.95Å; K361-L364 PolarHBondContact O-N 3.3Å; K361-L365 HydrophobicContact CG-CD1 4.09Å; K361-L365 HydrophobicContact CG-CG 4.39Å; K361-L365 WeakPolarHBondContact O-CG 3.46Å; K361-L365 PolarHBondContact O-N 2.96Å
362	P	68.3	Low	69.6	Low	84 Å²	84	82.6 Å²	82.6	55%	0.545	40%	0.402	S	S	.	.	H	α-helix	trans	-63	-26.7	176.2	-24.9	36.2	0	0	0	114.3	S366	P362-S366 WeakPolarHBondContact O-CB 3.45Å; P362-S366 PolarHBondContact O-N 3.08Å; P362-S366 PolarHBondContact O-OG 3.38Å
363	N	68.3	Low	68.6	Low	82 Å²	82	81.8 Å²	81.8	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-75.7	-40.2	178	-61.9	18.5	0	0	0	110.2	F358 H360 K361 S366 H367	F358-N363 HydrophobicContact CB-CB 4.37Å; F358-N363 HydrophobicContact CD1-CB 3.91Å; F358-N363 HydrophobicContact CG-CB 4.43Å; H360-N363 WeakPolarHBondContact O-CB 3.47Å; H360-N363 PolarHBondContact O-N 3.17Å; K361-N363 PolarHBondContact O-N 2.95Å; N363-S366 PolarHBondContact O-N 2.91Å; N363-H367 WeakPolarHBondContact O-CB 3.49Å; N363-H367 PolarHBondContact O-N 3.04Å; N363-H367 VanDerWaalsContact O-N 3.08Å
364	L	72.3	Confident	67.2	Low	30 Å²	30	81.4 Å²	81.4	16%	0.157	40%	0.402	C	S	.	.	H	α-helix	trans	-59.7	-48.1	169.5	171	60.3	0	0	0	111.2	P350 C351 F358 H360 K361 S366 H367 S368	P350-L364 VanDerWaalsContact O-CD2 3.32Å; P350-L364 WeakPolarHBondContact O-CD2 3.24Å; C351-L364 HydrophobicContact CB-CD1 3.65Å; F358-L364 HydrophobicContact CB-CB 4.19Å; F358-L364 HydrophobicContact CD2-CB 3.99Å; F358-L364 HydrophobicContact CD2-CD1 3.96Å; F358-L364 HydrophobicContact CE2-CD1 4.28Å; F358-L364 HydrophobicContact CG-CB 4.2Å; H360-L364 PolarHBondContact O-N 2.98Å; K361-L364 PolarHBondContact O-N 3.3Å; L364-S366 PolarHBondContact O-N 3.44Å; L364-H367 CarbonylContact O-C 3.4Å; L364-H367 WeakPolarHBondContact O-CA 3.41Å; L364-H367 WeakPolarHBondContact O-CB 3.24Å; L364-H367 PolarHBondContact O-N 2.65Å; L364-S368 PolarHBondContact O-N 3.47Å
365	L	72	Confident	65.6	Low	98 Å²	98	88 Å²	88	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-64.5	-23.9	177.9	-68.6	170	0	0	0	113.6	K361	K361-L365 HydrophobicContact CG-CD1 4.09Å; K361-L365 HydrophobicContact CG-CG 4.39Å; K361-L365 WeakPolarHBondContact O-CG 3.46Å; K361-L365 PolarHBondContact O-N 2.96Å
366	S	66.4	Low	64.4	Low	49 Å²	49	89 Å²	89	34%	0.343	44%	0.439	S	S	.	.	H	α-helix	trans	-80.8	-19.2	171.1	-56.7	0	0	0	0	112.5	P362 N363 L364	P362-S366 WeakPolarHBondContact O-CB 3.45Å; P362-S366 PolarHBondContact O-N 3.08Å; P362-S366 PolarHBondContact O-OG 3.38Å; N363-S366 PolarHBondContact O-N 2.91Å; L364-S366 PolarHBondContact O-N 3.44Å
367	H	72.9	Confident	62.9	Low	14 Å²	14	85.8 Å²	85.8	7%	0.065	44%	0.441	C	S	.	.	H	α-helix	trans	-95.7	-36.9	-176.5	173.5	68.8	0	0	0	113.4	C354 F358 N363 L364 K369 I370 H371	C354-H367 PolarHBondContact SG-NE2 3.36Å; F358-H367 HydrophobicContact CE1-CB 4.03Å; F358-H367 HydrophobicContact CE2-CB 3.92Å; F358-H367 AromaticContact CE2-CD2 3.25Å; F358-H367 WeakPolarHBondContact CE2-CD2 3.26Å; F358-H367 AromaticContact CE2-CG 3.59Å; F358-H367 AromaticContact CE2-NE2 3.92Å; F358-H367 HydrophobicContact CZ-CB 3.53Å; F358-H367 AromaticContact CZ-CD2 3.35Å; F358-H367 WeakPolarHBondContact CZ-CD2 3.25Å; F358-H367 AromaticContact CZ-CG 3.21Å; F358-H367 AromaticContact CZ-ND1 3.73Å; F358-H367 AromaticContact CZ-NE2 3.88Å; N363-H367 WeakPolarHBondContact O-CB 3.49Å; N363-H367 PolarHBondContact O-N 3.04Å; N363-H367 VanDerWaalsContact O-N 3.08Å; L364-H367 CarbonylContact O-C 3.4Å; L364-H367 WeakPolarHBondContact O-CA 3.41Å; L364-H367 WeakPolarHBondContact O-CB 3.24Å; L364-H367 PolarHBondContact O-N 2.65Å; H367-K369 PolarHBondContact O-N 2.83Å; H367-I370 WeakPolarHBondContact O-CB 3.13Å; H367-I370 VanDerWaalsContact O-CG1 3.26Å; H367-I370 WeakPolarHBondContact O-CG1 3.28Å; H367-I370 PolarHBondContact O-N 2.91Å; H367-H371 AromaticContact CD2-NE2 3.71Å; H367-H371 AromaticContact CE1-CE1 3.86Å; H367-H371 AromaticContact CE1-NE2 3.49Å; H367-H371 PolarHBondContact CE1-NE2 3.3Å; H367-H371 AromaticContact NE2-CE1 3.77Å; H367-H371 AromaticContact NE2-NE2 3.04Å; H367-H371 PolarHBondContact NE2-NE2 3.13Å
368	S	68.8	Low	61.3	Low	30 Å²	30	83.1 Å²	83.1	21%	0.21	45%	0.454	C	S	.	.	H	α-helix	trans	-63.1	-25	174	54.9	0	0	0	0	112.6	L364 I370 H371 K372	L364-S368 PolarHBondContact O-N 3.47Å; S368-I370 PolarHBondContact O-N 3.36Å; S368-H371 PolarHBondContact O-N 2.98Å; S368-H371 VanDerWaalsContact O-N 3.1Å; S368-K372 PolarHBondContact O-N 3.39Å
369	K	72.9	Confident	59.3	Low	59 Å²	59	90.1 Å²	90.1	26%	0.257	49%	0.487	S	S	.	.	H	α-helix	trans	-60.9	-1.3	165	-68	-164.1	175.7	-153.5	0	114.5	H367 R442	H367-K369 PolarHBondContact O-N 2.83Å; K369-R442 HydrophobicContact CB-CG 4.23Å; K369-R442 HydrophobicContact CD-CB 4.02Å; K369-R442 HydrophobicContact CD-CG 4.38Å; K369-R442 PolarHBondContact NZ-O 3.41Å; K369-R442 PolarHBondContact O-NE 3.11Å; K369-R442 PolarHBondContact O-NH2 3.33Å
370	I	66.4	Low	57.5	Low	77 Å²	77	91.7 Å²	91.7	40%	0.395	52%	0.515	S	S	.	.	H	α-helix	trans	-86.5	-43.3	170.1	-58.9	-176.9	0	0	0	111	H367 S368	H367-I370 WeakPolarHBondContact O-CB 3.13Å; H367-I370 VanDerWaalsContact O-CG1 3.26Å; H367-I370 WeakPolarHBondContact O-CG1 3.28Å; H367-I370 PolarHBondContact O-N 2.91Å; S368-I370 PolarHBondContact O-N 3.36Å
371	H	70.5	Confident	55.5	Low	37 Å²	37	96.7 Å²	96.7	17%	0.171	54%	0.541	C	S	.	.	H	α-helix	trans	-79.8	-29.5	-173.4	-49	-52.6	0	0	0	112.6	C351 E353 C354 H367 S368 R373 S374	C351-H371 PolarHBondContact SG-CD2 3.45Å; C351-H371 PolarHBondContact SG-NE2 3.15Å; E353-H371 HydrophobicContact CB-CB 3.86Å; E353-H371 HydrophobicContact CG-CB 3.96Å; E353-H371 IonicContact OE1-CD2 2.94Å; E353-H371 IonicContact OE2-CD2 2.93Å; C354-H371 PolarHBondContact SG-CE1 3.15Å; C354-H371 PolarHBondContact SG-NE2 3.34Å; H367-H371 AromaticContact CD2-NE2 3.71Å; H367-H371 AromaticContact CE1-CE1 3.86Å; H367-H371 AromaticContact CE1-NE2 3.49Å; H367-H371 PolarHBondContact CE1-NE2 3.3Å; H367-H371 AromaticContact NE2-CE1 3.77Å; H367-H371 AromaticContact NE2-NE2 3.04Å; H367-H371 PolarHBondContact NE2-NE2 3.13Å; S368-H371 PolarHBondContact O-N 2.98Å; S368-H371 VanDerWaalsContact O-N 3.1Å; H371-R373 PolarHBondContact O-N 3.43Å; H371-S374 PolarHBondContact O-N 2.91Å; H371-S374 PolarHBondContact O-OG 3.09Å
372	K	59.9	Low	53.7	Low	147 Å²	147	96.4 Å²	96.4	64%	0.639	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	43	165.3	-65.2	-154.6	169.8	-149.6	0	113.8	S368	S368-K372 PolarHBondContact O-N 3.39Å
373	R	53.8	Low	51.9	Low	189 Å²	189	95.5 Å²	95.5	71%	0.713	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.9	-14.8	173.3	-168.7	172.5	-177.7	-112.9	-0.9	112.9	H371	H371-R373 PolarHBondContact O-N 3.43Å
374	S	43.5	Very low	50.2	Low	91 Å²	91	98 Å²	98	64%	0.636	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-75	-23.3	-177.6	38.5	0	0	0	0	114.3	H371 G376	H371-S374 PolarHBondContact O-N 2.91Å; H371-S374 PolarHBondContact O-OG 3.09Å; S374-G376 VanDerWaalsContact C-N 3.28Å; S374-G376 PolarHBondContact O-N 2.89Å
375	E	42.3	Very low	48.1	Very low	189 Å²	189	100.1 Å²	100.1	88%	0.883	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-83.8	2.3	-178.2	-65.4	160.5	161.8	0	0	113.5
376	G	42.9	Very low	46	Very low	73 Å²	73	101 Å²	101	75%	0.753	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-133.5	29.4	-171.9	0	0	0	0	0	114.9	S374	S374-G376 VanDerWaalsContact C-N 3.28Å; S374-G376 PolarHBondContact O-N 2.89Å
377	S	30.9	Very low	44.4	Very low	97 Å²	97	104.8 Å²	104.8	68%	0.678	65%	0.646	S	S	*	*			trans	-159.4	65.1	175.1	-161	0	0	0	0	112
378	A	35.1	Very low	42.4	Very low	107 Å²	107	112.9 Å²	112.9	88%	0.884	68%	0.684	S	S	*	*			trans	-99.1	83.4	167.4	0	0	0	0	0	109.8
379	Q	30.3	Very low	40.7	Very low	192 Å²	192	117.1 Å²	117.1	90%	0.897	71%	0.711	S	S	*	*			trans	-126.8	121	159.5	-83.2	-173.5	-17	0	0	107.9
380	A	29	Very low	39	Very low	100 Å²	100	120.6 Å²	120.6	83%	0.826	74%	0.739	S	S	*	*			trans	-89.2	144.1	-177.8	0	0	0	0	0	111
381	I	29.4	Very low	37.3	Very low	160 Å²	160	122 Å²	122	82%	0.821	76%	0.762	S	S	*	*			trans	-128.5	127.5	152.5	-65.3	-176.5	0	0	0	105
382	P	32.8	Very low	35.3	Very low	119 Å²	119	123.6 Å²	123.6	77%	0.773	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-71.7	147.5	-166.6	27.6	-35.3	0	0	0	112.9
383	G	29	Very low	34.3	Very low	65 Å²	65	122.4 Å²	122.4	67%	0.67	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-85.8	143.1	160.2	0	0	0	0	0	110
384	P	32.4	Very low	33.1	Very low	136 Å²	136	121.8 Å²	121.8	88%	0.883	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-65.1	137.7	175.4	28.3	-34.4	0	0	0	110.5
385	G	29.8	Very low	32.4	Very low	74 Å²	74	125.5 Å²	125.5	76%	0.763	81%	0.809	S	S	*	*			trans	-78	179.3	-174.3	0	0	0	0	0	115.1
386	S	27.9	Very low	31.9	Very low	116 Å²	116	121.3 Å²	121.3	81%	0.811	80%	0.8	S	S	*	*			trans	-141.3	150.9	163.8	-68.8	0	0	0	0	107.5
387	P	31.6	Very low	31.2	Very low	128 Å²	128	122.5 Å²	122.5	83%	0.831	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-80.6	155.1	-147.4	30.1	-37.1	0	0	0	115.2
388	Q	32	Very low	31.1	Very low	185 Å²	185	122.9 Å²	122.9	86%	0.864	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-97.5	152.3	157.1	-72.2	-173.1	-99.6	0	0	110.1
389	P	32.1	Very low	30.7	Very low	119 Å²	119	126.2 Å²	126.2	77%	0.773	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-74.3	160.6	170.1	33.2	-35.5	0	0	0	111.7
390	P	38.1	Very low	31.2	Very low	132 Å²	132	122.4 Å²	122.4	86%	0.857	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-89.8	147.3	-171.9	35	-35.4	0	0	0	114.3
391	A	30.1	Very low	31.4	Very low	105 Å²	105	123 Å²	123	87%	0.868	80%	0.795	S	S	*	*			trans	-154	140.5	151.8	0	0	0	0	0	108.6
392	G	27.4	Very low	32.1	Very low	72 Å²	72	121 Å²	121	74%	0.742	79%	0.792	S	S	*	*			trans	-126.2	-158.2	167.6	0	0	0	0	0	109.5
393	P	38.8	Very low	31.9	Very low	122 Å²	122	120.3 Å²	120.3	79%	0.792	80%	0.796	S	S	*	*			cis	-123.8	-161.1	-0.5	41.4	-25.9	0	0	0	113.6
394	Q	29.5	Very low	32.1	Very low	176 Å²	176	121.6 Å²	121.6	82%	0.822	80%	0.8	S	S	*	*			trans	-48.8	169.4	-179.9	-55.1	151.3	-100.9	0	0	115
395	E	29.4	Very low	32.5	Very low	169 Å²	169	121.3 Å²	121.3	79%	0.79	80%	0.799	S	S	*	*			cis	-151.8	-172.6	34.8	-95.4	-159.9	80.2	0	0	110.5
396	S	30.3	Very low	32.6	Very low	101 Å²	101	126 Å²	126	71%	0.706	81%	0.806	S	S	*	*			cis	-156.5	150	-4.3	25.1	0	0	0	0	107
397	A	28.7	Very low	32.7	Very low	98 Å²	98	129.8 Å²	129.8	81%	0.81	81%	0.807	S	S	*	*				98.3	145.7	61.6	0	0	0	0	0	115.2
398	A	29	Very low	33	Very low	105 Å²	105	130.1 Å²	130.1	87%	0.868	81%	0.81	S	S	*	*			trans	80.4	107.1	169.7	0	0	0	0	0	121.9
399	E	26.4	Very low	32.9	Very low	177 Å²	177	125.8 Å²	125.8	83%	0.827	81%	0.805	S	S	*	*			trans	-87.8	-179.1	145.5	-92.3	-166.4	101.9	0	0	109.5
400	P	42.3	Very low	33	Very low	112 Å²	112	129.5 Å²	129.5	73%	0.727	81%	0.812	S	S	*	*			cis	-144.7	-178.7	19.5	43.6	-22.4	0	0	0	119.6
401	T	31.5	Very low	32.7	Very low	112 Å²	112	132 Å²	132	69%	0.687	81%	0.813	S	S	*	*			trans	-16.6	164.9	155.5	63.3	0	0	0	0	120.3
402	P	44.1	Very low	33.2	Very low	118 Å²	118	132.2 Å²	132.2	77%	0.766	81%	0.805	S	S	*	*			cis	-156.4	-178.5	35.7	45.8	-23.9	0	0	0	122
403	A	29.6	Very low	33.8	Very low	104 Å²	104	134.5 Å²	134.5	86%	0.86	81%	0.807	S	S	*	*			trans	79.2	155.3	147.6	0	0	0	0	0	121.7
404	A	33.1	Very low	33.9	Very low	92 Å²	92	134.7 Å²	134.7	76%	0.76	81%	0.808	S	S	*	*			trans	-151.4	161.6	-178.4	0	0	0	0	0	111.3
405	P	39.9	Very low	34.2	Very low	131 Å²	131	129.9 Å²	129.9	85%	0.851	81%	0.806	S	S	*	*			trans	-133.2	-165.4	146.9	33.6	-16.8	0	0	0	113.7
406	L	32.5	Very low	34.4	Very low	173 Å²	173	128.5 Å²	128.5	91%	0.906	81%	0.809	S	S	*	*			trans	-108	170.1	-153.4	-73.1	162.7	0	0	0	116.9
407	K	31.2	Very low	34.8	Very low	195 Å²	195	129.2 Å²	129.2	85%	0.848	81%	0.812	S	S	*	*			trans	-54.5	163.3	-178.4	-54.9	174.6	175.3	-179.7	0	115.7
408	P	37.4	Very low	35	Very low	135 Å²	135	130.8 Å²	130.8	88%	0.877	81%	0.813	S	S	*	*				-130.3	-168.5	97.2	33.8	-21.6	0	0	0	114.1
409	A	29.6	Very low	35.2	Very low	94 Å²	94	133.5 Å²	133.5	78%	0.777	81%	0.808	S	S	*	*			trans	-125.3	161.8	-163.5	0	0	0	0	0	115
410	Q	33.3	Very low	35.7	Very low	196 Å²	196	129.8 Å²	129.8	92%	0.916	80%	0.799	S	S	*	*			trans	-144.5	151.5	168.5	-69.4	-173.7	-14.3	0	0	111.5
411	E	32.1	Very low	35.5	Very low	185 Å²	185	130.7 Å²	130.7	86%	0.864	81%	0.805	S	S	*	*			trans	-129.7	174.3	171.6	-77.2	-163	142.4	0	0	108.5
412	P	41.5	Very low	35.9	Very low	110 Å²	110	134 Å²	134	71%	0.714	81%	0.813	S	S	*	*			cis	-109.9	-106.3	-4.1	27.6	-4.4	0	0	0	110.3
413	P	40.6	Very low	35.3	Very low	120 Å²	120	134.6 Å²	134.6	78%	0.779	81%	0.809	S	S	*	*			cis	-97.4	165.4	-9.2	39.8	-34.1	0	0	0	114.2
414	P	40	Very low	35.6	Very low	125 Å²	125	140.6 Å²	140.6	81%	0.812	81%	0.81	S	S	*	*			trans	-97.3	160.5	-179.8	37.8	-34.9	0	0	0	114.4
415	G	35.5	Very low	35.9	Very low	76 Å²	76	140.7 Å²	140.7	78%	0.784	81%	0.811	S	S	*	*			trans	134.1	68.2	155.8	0	0	0	0	0	118.3
416	T	33.9	Very low	35.7	Very low	139 Å²	139	143.1 Å²	143.1	85%	0.853	81%	0.811	S	S	*	*			trans	-138.5	142.5	156.7	24	0	0	0	0	110.7
417	P	38	Very low	35.8	Very low	117 Å²	117	139 Å²	139	76%	0.76	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-76.7	155	-172.2	30.7	-35.5	0	0	0	113.2
418	P	34.1	Very low	36.3	Very low	130 Å²	130	135.2 Å²	135.2	84%	0.844	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-74.8	132.5	-168.7	28.6	-35.7	0	0	0	114.5
419	E	33.3	Very low	36.9	Very low	163 Å²	163	132.3 Å²	132.3	76%	0.762	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-65	150.3	164	-82	-110.7	103.1	0	0	111.9
420	P	36.3	Very low	37.9	Very low	99 Å²	99	131.9 Å²	131.9	64%	0.643	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-72.1	149.8	-177	29.3	-35.1	0	0	0	113	Q422	P420-Q422 PolarHBondContact O-N 3.34Å; P420-Q422 VanDerWaalsContact O-N 3.17Å
421	P	37.9	Very low	39.3	Very low	130 Å²	130	126.9 Å²	126.9	84%	0.844	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-63.6	116.3	-167.4	-24.8	35	0	0	0	115.1	D423	P421-D423 PolarHBondContact O-N 2.86Å
422	Q	40.3	Very low	41	Very low	183 Å²	183	122 Å²	122	86%	0.855	72%	0.722	S	S	*	*			trans	-81.1	83.9	165	-65.4	-168.2	26.7	0	0	110.6	P420	P420-Q422 PolarHBondContact O-N 3.34Å; P420-Q422 VanDerWaalsContact O-N 3.17Å
423	D	32.3	Very low	42.1	Very low	129 Å²	129	119.8 Å²	119.8	69%	0.69	71%	0.709	S	S	*	*			trans	-145.4	112.8	165.7	-167.2	11	0	0	0	113.9	P421	P421-D423 PolarHBondContact O-N 2.86Å
424	R	35.6	Very low	43.2	Very low	230 Å²	230	114.1 Å²	114.1	87%	0.868	67%	0.673	S	S	*	*				-176.5	114.9	122.3	-96.8	155.8	-171.3	-179.4	3.2	111.1	E426	R424-E426 PolarHBondContact O-N 3.48Å
425	A	39.1	Very low	44.3	Very low	95 Å²	95	114.9 Å²	114.9	79%	0.785	67%	0.67	S	S	*	*			trans	-54.8	130.7	171.3	0	0	0	0	0	111.4	A427	A425-A427 PolarHBondContact O-N 3.19Å
426	E	34.6	Very low	45.4	Very low	182 Å²	182	115.9 Å²	115.9	85%	0.85	66%	0.657	S	S	*	*			trans	-65.6	105.9	167.8	-78.4	-156.7	141.7	0	0	108.9	R424	R424-E426 PolarHBondContact O-N 3.48Å
427	A	35.9	Very low	46.8	Very low	86 Å²	86	111.8 Å²	111.8	71%	0.711	63%	0.633	S	S	*	*			trans	-50.9	138.5	177.3	0	0	0	0	0	111.4	A425	A425-A427 PolarHBondContact O-N 3.19Å
428	P	41.1	Very low	47.5	Very low	116 Å²	116	109.1 Å²	109.1	75%	0.753	63%	0.628	S	S	*	*			trans	-57.7	140.3	-170	21.2	-33	0	0	0	111.8	S430	P428-S430 PolarHBondContact O-N 2.87Å
429	P	49.5	Very low	48.5	Very low	74 Å²	74	110.3 Å²	110.3	48%	0.481	62%	0.615	S	S	.	*			trans	-68.1	100.1	-167.8	27	-35.7	0	0	0	111.2	L431	P429-L431 PolarHBondContact O-N 3.28Å; P429-L431 VanDerWaalsContact O-N 3.11Å
430	S	51.8	Low	49.6	Very low	84 Å²	84	105.8 Å²	105.8	59%	0.587	60%	0.602	S	S	*	*			trans	-34.8	110.1	-166.2	52.1	0	0	0	0	114	P428	P428-S430 PolarHBondContact O-N 2.87Å
431	L	61.1	Low	51.1	Low	91 Å²	91	103.3 Å²	103.3	48%	0.476	58%	0.581	S	S	.	*			trans	-85.5	135.7	168.6	-64.7	178.5	0	0	0	107.8	P429 C433 R442	P429-L431 PolarHBondContact O-N 3.28Å; P429-L431 VanDerWaalsContact O-N 3.11Å; L431-C433 PolarHBondContact O-N 3.31Å; L431-R442 HydrophobicContact CD2-CG 4.45Å
432	Y	67.8	Low	52.3	Low	82 Å²	82	101.7 Å²	101.7	32%	0.322	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.8	95.3	-179.5	-65.9	-90.6	0	0	0	107.6	F441 E444	Y432-F441 PolarHBondContact N-O 2.86Å; Y432-F441 WeakPolarHBondContact O-CB 3.42Å; Y432-F441 WeakPolarHBondContact O-CD2 3.46Å; Y432-F441 PolarHBondContact O-N 2.85Å; Y432-E444 HydrophobicContact CD1-CB 3.67Å; Y432-E444 HydrophobicContact CD1-CG 3.76Å; Y432-E444 HydrophobicContact CD2-CB 4.32Å; Y432-E444 HydrophobicContact CE1-CB 3.47Å; Y432-E444 VanDerWaalsContact CE1-CB 3.47Å; Y432-E444 HydrophobicContact CE1-CG 3.66Å; Y432-E444 HydrophobicContact CE2-CB 4.15Å; Y432-E444 HydrophobicContact CG-CB 4.08Å
433	C	65.3	Low	53.8	Low	65 Å²	65	95 Å²	95	44%	0.439	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	150.6	178.9	-64.8	0	0	0	0	111.6	L431 R439 L447	L431-C433 PolarHBondContact O-N 3.31Å; C433-R439 CarbonylContact C-O 3.55Å; C433-R439 WeakPolarHBondContact CA-O 3.35Å; C433-L447 VanDerWaalsContact O-CD1 3.25Å; C433-L447 WeakPolarHBondContact O-CD1 3.16Å; C433-L447 WeakPolarHBondContact O-CD2 3.38Å
434	C	63.3	Low	55.7	Low	1 Å²	1	92.6 Å²	92.6	1%	0.007	51%	0.512	C	S	.	.			trans	-102.7	114.1	174.2	-158.2	0	0	0	0	108.7	D436 C437 G438 R439 F441 L447 H450 Q451 H454	C434-D436 VanDerWaalsContact C-N 3.26Å; C434-D436 PolarHBondContact O-N 3.11Å; C434-D436 PolarHBondContact SG-OD2 3.26Å; C434-C437 PolarHBondContact O-N 2.99Å; C434-G438 WeakPolarHBondContact O-CA 3.49Å; C434-G438 PolarHBondContact O-N 3.27Å; C434-R439 HydrophobicContact CB-CB 4.47Å; C434-R439 PolarHBondContact N-O 3.35Å; C434-F441 HydrophobicContact CB-CE2 4.29Å; C434-L447 VanDerWaalsContact CA-CD1 3.47Å; C434-L447 HydrophobicContact CB-CD1 3.47Å; C434-L447 VanDerWaalsContact CB-CD1 3.47Å; C434-H450 PolarHBondContact SG-CD2 3.38Å; C434-Q451 WeakPolarHBondContact SG-CG 3.44Å; C434-H454 VanDerWaalsContact SG-CD2 3.54Å
435	D	62.8	Low	57.5	Low	140 Å²	140	89 Å²	89	75%	0.749	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-37.8	-171.8	-43.6	-81.3	0	0	0	110.7	C437	D435-C437 VanDerWaalsContact C-N 3.26Å; D435-C437 PolarHBondContact O-N 3.07Å
436	D	60.2	Low	59.1	Low	97 Å²	97	89.4 Å²	89.4	52%	0.519	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.3	179.5	-30.7	-92.3	0	0	0	114.9	C434 H454	C434-D436 VanDerWaalsContact C-N 3.26Å; C434-D436 PolarHBondContact O-N 3.11Å; C434-D436 PolarHBondContact SG-OD2 3.26Å; D436-H454 HydrophobicContact CB-CB 4.2Å; D436-H454 IonicContact OD2-CD2 3.76Å; D436-H454 PolarHBondContact OD2-CD2 3.45Å; D436-H454 VanDerWaalsContact OD2-CD2 3.23Å
437	C	62.1	Low	61	Low	53 Å²	53	81.5 Å²	81.5	36%	0.358	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.2	18.8	-175.6	85.8	0	0	0	0	116.5	C434 D435 R439 H450 H454	C434-C437 PolarHBondContact O-N 2.99Å; D435-C437 VanDerWaalsContact C-N 3.26Å; D435-C437 PolarHBondContact O-N 3.07Å; C437-R439 PolarHBondContact O-N 3.29Å; C437-H450 PolarHBondContact SG-NE2 3.21Å; C437-H454 VanDerWaalsContact SG-CE1 3.58Å; C437-H454 PolarHBondContact SG-NE2 3Å; C437-H454 VanDerWaalsContact SG-NE2 3.38Å
438	G	52.6	Low	62.8	Low	62 Å²	62	84.6 Å²	84.6	64%	0.639	44%	0.44	S	S	*	.			trans	63.6	2.2	177.6	0	0	0	0	0	117.1	C434 S440	C434-G438 WeakPolarHBondContact O-CA 3.49Å; C434-G438 PolarHBondContact O-N 3.27Å; G438-S440 PolarHBondContact O-N 3.27Å
439	R	56.2	Low	64.3	Low	154 Å²	154	81.3 Å²	81.3	58%	0.581	42%	0.422	S	S	*	.			trans	-75.4	125.5	-172.5	-79.4	-178.5	176.2	174.1	2	112.2	C433 C434 C437 F441	C433-R439 CarbonylContact C-O 3.55Å; C433-R439 WeakPolarHBondContact CA-O 3.35Å; C434-R439 HydrophobicContact CB-CB 4.47Å; C434-R439 PolarHBondContact N-O 3.35Å; C437-R439 PolarHBondContact O-N 3.29Å; R439-F441 HydrophobicContact CB-CE2 3.62Å; R439-F441 HydrophobicContact CB-CZ 3.97Å; R439-F441 VanDerWaalsContact O-CD2 3.26Å; R439-F441 WeakPolarHBondContact O-CD2 3.3Å; R439-F441 WeakPolarHBondContact O-CE2 3.49Å
440	S	55	Low	65.4	Low	69 Å²	69	78.1 Å²	78.1	48%	0.483	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.7	-177.5	60.2	0	0	0	0	113.2	G438	G438-S440 PolarHBondContact O-N 3.27Å
441	F	69.2	Low	66.1	Low	46 Å²	46	76.5 Å²	76.5	20%	0.202	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.1	-176.5	-64.5	-89.7	0	0	0	111.9	Y432 C434 R439 L443 F446 L447 H450	Y432-F441 PolarHBondContact N-O 2.86Å; Y432-F441 WeakPolarHBondContact O-CB 3.42Å; Y432-F441 WeakPolarHBondContact O-CD2 3.46Å; Y432-F441 PolarHBondContact O-N 2.85Å; C434-F441 HydrophobicContact CB-CE2 4.29Å; R439-F441 HydrophobicContact CB-CE2 3.62Å; R439-F441 HydrophobicContact CB-CZ 3.97Å; R439-F441 VanDerWaalsContact O-CD2 3.26Å; R439-F441 WeakPolarHBondContact O-CD2 3.3Å; R439-F441 WeakPolarHBondContact O-CE2 3.49Å; F441-L443 PolarHBondContact O-N 3.1Å; F441-F446 HydrophobicContact CB-CB 4.26Å; F441-F446 HydrophobicContact CD1-CB 3.85Å; F441-F446 HydrophobicContact CG-CB 4.36Å; F441-L447 HydrophobicContact CB-CB 4.17Å; F441-L447 HydrophobicContact CD2-CB 4.09Å; F441-L447 HydrophobicContact CD2-CD1 4.04Å; F441-L447 HydrophobicContact CE2-CD1 4.41Å; F441-L447 HydrophobicContact CG-CB 4.3Å; F441-H450 HydrophobicContact CE1-CB 4.01Å; F441-H450 HydrophobicContact CE2-CB 3.96Å; F441-H450 AromaticContact CE2-CD2 3.18Å; F441-H450 WeakPolarHBondContact CE2-CD2 3.3Å; F441-H450 AromaticContact CE2-CG 3.71Å; F441-H450 AromaticContact CE2-NE2 3.99Å; F441-H450 HydrophobicContact CZ-CB 3.54Å; F441-H450 AromaticContact CZ-CD2 3.24Å; F441-H450 WeakPolarHBondContact CZ-CD2 3.35Å; F441-H450 AromaticContact CZ-CG 3.32Å; F441-H450 AromaticContact CZ-NE2 3.94Å
442	R	62.9	Low	66.7	Low	96 Å²	96	76.7 Å²	76.7	36%	0.362	38%	0.379	S	S	.	.	S	Bend	trans	-62.6	-15.1	-179	-68.8	176.2	171.9	122.3	3.7	114.7	K369 L431	K369-R442 HydrophobicContact CB-CG 4.23Å; K369-R442 HydrophobicContact CD-CB 4.02Å; K369-R442 HydrophobicContact CD-CG 4.38Å; K369-R442 PolarHBondContact NZ-O 3.41Å; K369-R442 PolarHBondContact O-NE 3.11Å; K369-R442 PolarHBondContact O-NH2 3.33Å; L431-R442 HydrophobicContact CD2-CG 4.45Å
443	L	71.8	Confident	66.5	Low	43 Å²	43	79.4 Å²	79.4	23%	0.225	39%	0.394	C	S	.	.	S	Bend	trans	-154	134.3	-171.9	-72	159.3	0	0	0	110.5	F441 R445 F446 L447	F441-L443 PolarHBondContact O-N 3.1Å; L443-R445 VanDerWaalsContact C-N 3.28Å; L443-R445 HydrophobicContact CB-CG 4.35Å; L443-R445 PolarHBondContact O-N 3.4Å; L443-R445 VanDerWaalsContact O-N 3.16Å; L443-F446 HydrophobicContact CB-CD2 3.95Å; L443-F446 HydrophobicContact CD1-CD2 3.99Å; L443-F446 HydrophobicContact CD1-CE2 3.73Å; L443-F446 PolarHBondContact O-N 3.08Å; L443-L447 PolarHBondContact O-N 2.81Å
444	E	71.4	Confident	66.5	Low	78 Å²	78	80.1 Å²	80.1	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-49.4	-41.9	179.6	-161.4	-169.1	143.8	0	0	114.1	Y432 F446 L447 R448	Y432-E444 HydrophobicContact CD1-CB 3.67Å; Y432-E444 HydrophobicContact CD1-CG 3.76Å; Y432-E444 HydrophobicContact CD2-CB 4.32Å; Y432-E444 HydrophobicContact CE1-CB 3.47Å; Y432-E444 VanDerWaalsContact CE1-CB 3.47Å; Y432-E444 HydrophobicContact CE1-CG 3.66Å; Y432-E444 HydrophobicContact CE2-CB 4.15Å; Y432-E444 HydrophobicContact CG-CB 4.08Å; E444-F446 PolarHBondContact O-N 3.07Å; E444-F446 VanDerWaalsContact O-N 3.1Å; E444-L447 WeakPolarHBondContact O-CB 3.44Å; E444-L447 PolarHBondContact O-N 2.91Å; E444-L447 VanDerWaalsContact O-N 3.08Å; E444-R448 HydrophobicContact CG-CG 4.5Å; E444-R448 PolarHBondContact O-N 2.91Å; E444-R448 IonicContact OE1-CZ 3.58Å; E444-R448 IonicContact OE1-NE 3.59Å; E444-R448 PolarHBondContact OE1-NE 2.85Å; E444-R448 IonicContact OE1-NH2 3.85Å; E444-R448 PolarHBondContact OE1-NH2 2.83Å
445	R	74.4	Confident	66.6	Low	155 Å²	155	84.2 Å²	84.2	59%	0.585	42%	0.416	S	S	*	.	H	α-helix	trans	-63.3	-17.3	179.3	70.1	170.3	-177.9	-94.1	3.2	114.3	L443 A449	L443-R445 VanDerWaalsContact C-N 3.28Å; L443-R445 HydrophobicContact CB-CG 4.35Å; L443-R445 PolarHBondContact O-N 3.4Å; L443-R445 VanDerWaalsContact O-N 3.16Å; R445-A449 VanDerWaalsContact O-CB 3.28Å; R445-A449 WeakPolarHBondContact O-CB 3.5Å
446	F	72.9	Confident	66.7	Low	103 Å²	103	79.7 Å²	79.7	45%	0.452	40%	0.403	S	S	.	.	H	α-helix	trans	-92.5	-34	173.5	-66.6	-46.8	0	0	0	111.6	F441 L443 E444 A449 H450	F441-F446 HydrophobicContact CB-CB 4.26Å; F441-F446 HydrophobicContact CD1-CB 3.85Å; F441-F446 HydrophobicContact CG-CB 4.36Å; L443-F446 HydrophobicContact CB-CD2 3.95Å; L443-F446 HydrophobicContact CD1-CD2 3.99Å; L443-F446 HydrophobicContact CD1-CE2 3.73Å; L443-F446 PolarHBondContact O-N 3.08Å; E444-F446 PolarHBondContact O-N 3.07Å; E444-F446 VanDerWaalsContact O-N 3.1Å; F446-A449 PolarHBondContact O-N 2.82Å; F446-H450 WeakPolarHBondContact O-CB 2.88Å; F446-H450 PolarHBondContact O-N 3.28Å
447	L	73.9	Confident	67	Low	16 Å²	16	79.4 Å²	79.4	8%	0.084	40%	0.398	C	S	.	.	H	α-helix	trans	-58.2	-56	166.3	170.9	62	0	0	0	110.7	C433 C434 F441 L443 E444 A449 H450 Q451	C433-L447 VanDerWaalsContact O-CD1 3.25Å; C433-L447 WeakPolarHBondContact O-CD1 3.16Å; C433-L447 WeakPolarHBondContact O-CD2 3.38Å; C434-L447 VanDerWaalsContact CA-CD1 3.47Å; C434-L447 HydrophobicContact CB-CD1 3.47Å; C434-L447 VanDerWaalsContact CB-CD1 3.47Å; F441-L447 HydrophobicContact CB-CB 4.17Å; F441-L447 HydrophobicContact CD2-CB 4.09Å; F441-L447 HydrophobicContact CD2-CD1 4.04Å; F441-L447 HydrophobicContact CE2-CD1 4.41Å; F441-L447 HydrophobicContact CG-CB 4.3Å; L443-L447 PolarHBondContact O-N 2.81Å; E444-L447 WeakPolarHBondContact O-CB 3.44Å; E444-L447 PolarHBondContact O-N 2.91Å; E444-L447 VanDerWaalsContact O-N 3.08Å; L447-A449 PolarHBondContact O-N 3.18Å; L447-A449 VanDerWaalsContact O-N 3.11Å; L447-H450 CarbonylContact O-C 3.52Å; L447-H450 WeakPolarHBondContact O-CA 3.34Å; L447-H450 WeakPolarHBondContact O-CB 3.47Å; L447-H450 PolarHBondContact O-N 3.41Å; L447-Q451 HydrophobicContact CD1-CG 3.81Å; L447-Q451 HydrophobicContact CG-CG 4.23Å; L447-Q451 PolarHBondContact O-N 3.43Å
448	R	73.3	Confident	67.5	Low	152 Å²	152	83.2 Å²	83.2	57%	0.574	41%	0.405	S	S	*	.	H	α-helix	trans	-60.3	-24.5	178.1	-66.8	-174.1	-173.8	-95.2	4.3	113.6	E444 R452	E444-R448 HydrophobicContact CG-CG 4.5Å; E444-R448 PolarHBondContact O-N 2.91Å; E444-R448 IonicContact OE1-CZ 3.58Å; E444-R448 IonicContact OE1-NE 3.59Å; E444-R448 PolarHBondContact OE1-NE 2.85Å; E444-R448 IonicContact OE1-NH2 3.85Å; E444-R448 PolarHBondContact OE1-NH2 2.83Å; R448-R452 WeakPolarHBondContact O-CD 3.41Å; R448-R452 VanDerWaalsContact O-CG 3.3Å; R448-R452 WeakPolarHBondContact O-CG 3.38Å
449	A	72.3	Confident	68.6	Low	46 Å²	46	83.5 Å²	83.5	38%	0.38	40%	0.396	S	S	.	.	H	α-helix	trans	-85.1	-10.2	174.2	0	0	0	0	0	113.5	R445 F446 L447	R445-A449 VanDerWaalsContact O-CB 3.28Å; R445-A449 WeakPolarHBondContact O-CB 3.5Å; F446-A449 PolarHBondContact O-N 2.82Å; L447-A449 PolarHBondContact O-N 3.18Å; L447-A449 VanDerWaalsContact O-N 3.11Å
450	H	72.3	Confident	69.7	Low	7 Å²	7	79.2 Å²	79.2	3%	0.032	38%	0.381	C	S	.	.	H	α-helix	trans	-101.7	-38.6	175.9	171.1	55.6	0	0	0	112.3	C434 C437 F441 F446 L447 R452 Q453 H454	C434-H450 PolarHBondContact SG-CD2 3.38Å; C437-H450 PolarHBondContact SG-NE2 3.21Å; F441-H450 HydrophobicContact CE1-CB 4.01Å; F441-H450 HydrophobicContact CE2-CB 3.96Å; F441-H450 AromaticContact CE2-CD2 3.18Å; F441-H450 WeakPolarHBondContact CE2-CD2 3.3Å; F441-H450 AromaticContact CE2-CG 3.71Å; F441-H450 AromaticContact CE2-NE2 3.99Å; F441-H450 HydrophobicContact CZ-CB 3.54Å; F441-H450 AromaticContact CZ-CD2 3.24Å; F441-H450 WeakPolarHBondContact CZ-CD2 3.35Å; F441-H450 AromaticContact CZ-CG 3.32Å; F441-H450 AromaticContact CZ-NE2 3.94Å; F446-H450 WeakPolarHBondContact O-CB 2.88Å; F446-H450 PolarHBondContact O-N 3.28Å; L447-H450 CarbonylContact O-C 3.52Å; L447-H450 WeakPolarHBondContact O-CA 3.34Å; L447-H450 WeakPolarHBondContact O-CB 3.47Å; L447-H450 PolarHBondContact O-N 3.41Å; H450-R452 PolarHBondContact O-N 2.97Å; H450-R452 VanDerWaalsContact O-N 3.17Å; H450-Q453 PolarHBondContact ND1-OE1 2.9Å; H450-Q453 WeakPolarHBondContact O-CA 3.43Å; H450-Q453 WeakPolarHBondContact O-CB 3.43Å; H450-Q453 WeakPolarHBondContact O-CG 3.48Å; H450-Q453 PolarHBondContact O-N 3.29Å; H450-H454 AromaticContact CD2-NE2 3.91Å; H450-H454 AromaticContact CE1-CE1 3.67Å; H450-H454 AromaticContact CE1-NE2 3.41Å; H450-H454 PolarHBondContact CE1-NE2 3.19Å; H450-H454 AromaticContact NE2-CE1 3.82Å; H450-H454 AromaticContact NE2-NE2 3.18Å; H450-H454 PolarHBondContact NE2-NE2 3.11Å; H450-H454 VanDerWaalsContact NE2-NE2 3.18Å
451	Q	68.2	Low	70.9	Confident	51 Å²	51	79.8 Å²	79.8	24%	0.238	38%	0.382	C	S	.	.	H	α-helix	trans	-53.1	-35.5	170.5	-75.1	168	-43.1	0	0	111.7	C434 L447 Q453 H454 T455	C434-Q451 WeakPolarHBondContact SG-CG 3.44Å; L447-Q451 HydrophobicContact CD1-CG 3.81Å; L447-Q451 HydrophobicContact CG-CG 4.23Å; L447-Q451 PolarHBondContact O-N 3.43Å; Q451-Q453 PolarHBondContact O-N 1.92Å; Q451-H454 PolarHBondContact O-N 3.25Å; Q451-T455 PolarHBondContact O-N 3.32Å; Q451-T455 PolarHBondContact O-OG1 2.85Å
452	R	72.7	Confident	71.6	Confident	95 Å²	95	77.8 Å²	77.8	36%	0.358	37%	0.373	S	S	.	.	H	α-helix	trans	-60.6	-8.4	170.2	-71	-177.9	165.1	-178	-2.4	116.2	R448 H450 E457	R448-R452 WeakPolarHBondContact O-CD 3.41Å; R448-R452 VanDerWaalsContact O-CG 3.3Å; R448-R452 WeakPolarHBondContact O-CG 3.38Å; H450-R452 PolarHBondContact O-N 2.97Å; H450-R452 VanDerWaalsContact O-N 3.17Å; R452-E457 HydrophobicContact CB-CB 4.08Å; R452-E457 HydrophobicContact CG-CB 3.71Å; R452-E457 IonicContact CZ-OE2 3.81Å; R452-E457 IonicContact NE-OE2 3.71Å; R452-E457 PolarHBondContact NE-OE2 3.23Å; R452-E457 IonicContact NH2-OE2 2.83Å; R452-E457 PolarHBondContact NH2-OE2 3.18Å; R452-E457 VanDerWaalsContact NH2-OE2 3.1Å
453	Q	64.1	Low	72.4	Confident	139 Å²	139	78.1 Å²	78.1	65%	0.65	40%	0.397	S	S	*	.	H	α-helix	trans	-90.3	-24	172.1	-53	-173.2	-72	0	0	111.4	H450 Q451	H450-Q453 PolarHBondContact ND1-OE1 2.9Å; H450-Q453 WeakPolarHBondContact O-CA 3.43Å; H450-Q453 WeakPolarHBondContact O-CB 3.43Å; H450-Q453 WeakPolarHBondContact O-CG 3.48Å; H450-Q453 PolarHBondContact O-N 3.29Å; Q451-Q453 PolarHBondContact O-N 1.92Å
454	H	65.5	Low	72.8	Confident	79 Å²	79	82 Å²	82	37%	0.366	41%	0.414	S	S	.	.	H	α-helix	trans	-89.5	-50.1	175.7	-52.1	-50.9	0	0	0	110.8	C434 D436 C437 H450 Q451 G456	C434-H454 VanDerWaalsContact SG-CD2 3.54Å; D436-H454 HydrophobicContact CB-CB 4.2Å; D436-H454 IonicContact OD2-CD2 3.76Å; D436-H454 PolarHBondContact OD2-CD2 3.45Å; D436-H454 VanDerWaalsContact OD2-CD2 3.23Å; C437-H454 VanDerWaalsContact SG-CE1 3.58Å; C437-H454 PolarHBondContact SG-NE2 3Å; C437-H454 VanDerWaalsContact SG-NE2 3.38Å; H450-H454 AromaticContact CD2-NE2 3.91Å; H450-H454 AromaticContact CE1-CE1 3.67Å; H450-H454 AromaticContact CE1-NE2 3.41Å; H450-H454 PolarHBondContact CE1-NE2 3.19Å; H450-H454 AromaticContact NE2-CE1 3.82Å; H450-H454 AromaticContact NE2-NE2 3.18Å; H450-H454 PolarHBondContact NE2-NE2 3.11Å; H450-H454 VanDerWaalsContact NE2-NE2 3.18Å; Q451-H454 PolarHBondContact O-N 3.25Å; H454-G456 PolarHBondContact O-N 3.1Å; H454-G456 VanDerWaalsContact O-N 3.08Å
455	T	65.9	Low	73.2	Confident	87 Å²	87	80.4 Å²	80.4	53%	0.534	41%	0.411	S	S	.	.	S	Bend	trans	-71.7	-0.8	178.4	66	0	0	0	0	114.3	Q451 E457	Q451-T455 PolarHBondContact O-N 3.32Å; Q451-T455 PolarHBondContact O-OG1 2.85Å; T455-E457 PolarHBondContact O-N 3.27Å; T455-E457 WeakPolarHBondContact OG1-CB 3.27Å
456	G	64.7	Low	73.4	Confident	46 Å²	46	75.2 Å²	75.2	47%	0.474	41%	0.406	S	S	.	.			trans	65.8	-2.5	-175.4	0	0	0	0	0	115.5	H454 R458	H454-G456 PolarHBondContact O-N 3.1Å; H454-G456 VanDerWaalsContact O-N 3.08Å; G456-R458 VanDerWaalsContact O-CG 3.28Å; G456-R458 WeakPolarHBondContact O-CG 3.44Å; G456-R458 PolarHBondContact O-N 3.37Å
457	E	65	Low	73.6	Confident	91 Å²	91	76 Å²	76	43%	0.425	41%	0.409	S	S	.	.			trans	-52.1	109.5	-177.6	-101.5	-169.2	-141.2	0	0	112	R452 T455 P459	R452-E457 HydrophobicContact CB-CB 4.08Å; R452-E457 HydrophobicContact CG-CB 3.71Å; R452-E457 IonicContact CZ-OE2 3.81Å; R452-E457 IonicContact NE-OE2 3.71Å; R452-E457 PolarHBondContact NE-OE2 3.23Å; R452-E457 IonicContact NH2-OE2 2.83Å; R452-E457 PolarHBondContact NH2-OE2 3.18Å; R452-E457 VanDerWaalsContact NH2-OE2 3.1Å; T455-E457 PolarHBondContact O-N 3.27Å; T455-E457 WeakPolarHBondContact OG1-CB 3.27Å; E457-P459 WeakPolarHBondContact O-CD 3.3Å
458	R	72.4	Confident	73.9	Confident	133 Å²	133	78.5 Å²	78.5	50%	0.502	42%	0.422	S	S	.	.			trans	-127.2	68.4	-179.7	-74.2	163.8	73.2	157.6	0.1	110.5	G456 F460 N468 F469	G456-R458 VanDerWaalsContact O-CG 3.28Å; G456-R458 WeakPolarHBondContact O-CG 3.44Å; G456-R458 PolarHBondContact O-N 3.37Å; R458-F460 PolarHBondContact O-N 3.2Å; R458-N468 HydrophobicContact CB-CB 3.55Å; R458-N468 PolarHBondContact NE-O 3.05Å; R458-N468 PolarHBondContact NH2-O 3.04Å; R458-N468 WeakPolarHBondContact O-CB 3.42Å; R458-F469 CarbonylContact C-O 3.58Å; R458-F469 WeakPolarHBondContact CA-O 3.24Å
459	P	76.7	Confident	74.2	Confident	67 Å²	67	72.9 Å²	72.9	44%	0.435	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-73	18.9	-162.8	-17.2	34	0	0	0	116.2	E457	E457-P459 WeakPolarHBondContact O-CD 3.3Å
460	F	78.6	Confident	74.3	Confident	65 Å²	65	72.3 Å²	72.3	29%	0.285	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	81.1	179.3	-57.4	-72	0	0	0	108.7	R458 F469 K471 K472 L475	R458-F460 PolarHBondContact O-N 3.2Å; F460-F469 HydrophobicContact CB-CB 4.33Å; F460-F469 WeakPolarHBondContact CB-O 3.35Å; F460-F469 WeakPolarHBondContact CD2-O 3.03Å; F460-F469 PolarHBondContact N-O 3.2Å; F460-F469 PolarHBondContact O-N 3.43Å; F460-K471 VanDerWaalsContact CD2-C 3.44Å; F460-K472 HydrophobicContact CD1-CB 3.8Å; F460-K472 HydrophobicContact CD1-CG 4.29Å; F460-K472 HydrophobicContact CD2-CB 4.44Å; F460-K472 VanDerWaalsContact CD2-N 3.27Å; F460-K472 HydrophobicContact CE1-CB 3.74Å; F460-K472 HydrophobicContact CE1-CD 4.39Å; F460-K472 HydrophobicContact CE1-CG 4.42Å; F460-K472 HydrophobicContact CE2-CB 4.39Å; F460-K472 HydrophobicContact CG-CB 4.15Å; F460-K472 HydrophobicContact CZ-CB 4.04Å; F460-L475 HydrophobicContact CB-CB 4.1Å; F460-L475 HydrophobicContact CB-CD2 3.85Å
461	T	80.3	Confident	74.5	Confident	81 Å²	81	77.3 Å²	77.3	50%	0.497	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.7	177	-49	0	0	0	0	111.6	N468 L475	T461-N468 WeakPolarHBondContact CA-OD1 3.32Å; T461-N468 VanDerWaalsContact CB-OD1 3.27Å; T461-N468 WeakPolarHBondContact CB-OD1 3.34Å; T461-N468 VanDerWaalsContact CG2-OD1 3.26Å; T461-N468 WeakPolarHBondContact CG2-OD1 3.28Å; T461-N468 PolarHBondContact OG1-OD1 3.37Å; T461-L475 WeakPolarHBondContact O-CD2 3.47Å
462	C	85	Confident	75.1	Confident	3 Å²	3	81.4 Å²	81.4	2%	0.02	44%	0.44	C	S	.	.			trans	-85.3	120.3	166.1	-170.3	0	0	0	0	109.5	E464 G466 K467 F469 L475	C462-E464 VanDerWaalsContact C-N 3.28Å; C462-E464 PolarHBondContact O-N 2.83Å; C462-G466 VanDerWaalsContact O-CA 3.31Å; C462-G466 WeakPolarHBondContact O-CA 3.35Å; C462-G466 PolarHBondContact O-N 2.83Å; C462-K467 HydrophobicContact CB-CB 4.43Å; C462-K467 WeakPolarHBondContact CB-O 3.36Å; C462-K467 PolarHBondContact N-O 3.07Å; C462-F469 HydrophobicContact CB-CE2 4.49Å; C462-L475 HydrophobicContact CB-CD1 3.66Å
463	A	79.5	Confident	75.4	Confident	104 Å²	104	81.7 Å²	81.7	86%	0.86	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.5	-179.2	0	0	0	0	0	112.4	C465	A463-C465 PolarHBondContact O-N 3.27Å
464	E	80.3	Confident	76.3	Confident	123 Å²	123	79.7 Å²	79.7	58%	0.575	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.9	-171.9	-62.6	156.3	-96.8	0	0	114.2	C462 H482	C462-E464 VanDerWaalsContact C-N 3.28Å; C462-E464 PolarHBondContact O-N 2.83Å; E464-H482 IonicContact OE1-CD2 2.82Å; E464-H482 WeakPolarHBondContact OE2-CB 3.41Å; E464-H482 IonicContact OE2-CD2 3.8Å; E464-H482 IonicContact OE2-CG 3.75Å
465	C	80	Confident	77.2	Confident	46 Å²	46	77.4 Å²	77.4	31%	0.311	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154	19.4	178.3	70.7	0	0	0	0	115.6	A463 K467 H478 H482	A463-C465 PolarHBondContact O-N 3.27Å; C465-K467 PolarHBondContact O-N 3.23Å; C465-K467 VanDerWaalsContact SG-CD 3.57Å; C465-H478 PolarHBondContact SG-NE2 2.86Å; C465-H478 VanDerWaalsContact SG-NE2 3.38Å; C465-H482 PolarHBondContact SG-CE1 3.24Å; C465-H482 PolarHBondContact SG-NE2 3.49Å
466	G	77.9	Confident	78.1	Confident	46 Å²	46	76.5 Å²	76.5	47%	0.474	43%	0.427	S	S	.	.			trans	64.5	-3	178	0	0	0	0	0	116.4	C462 N468	C462-G466 VanDerWaalsContact O-CA 3.31Å; C462-G466 WeakPolarHBondContact O-CA 3.35Å; C462-G466 PolarHBondContact O-N 2.83Å; G466-N468 PolarHBondContact O-N 3.03Å; G466-N468 VanDerWaalsContact O-N 3.16Å; G466-N468 PolarHBondContact O-OD1 3.42Å
467	K	77.3	Confident	78.9	Confident	118 Å²	118	75.1 Å²	75.1	51%	0.513	41%	0.411	S	S	.	.			trans	-68.6	116.8	-172.8	-74	173	-167.3	156.4	0	111.1	C462 C465 F469	C462-K467 HydrophobicContact CB-CB 4.43Å; C462-K467 WeakPolarHBondContact CB-O 3.36Å; C462-K467 PolarHBondContact N-O 3.07Å; C465-K467 PolarHBondContact O-N 3.23Å; C465-K467 VanDerWaalsContact SG-CD 3.57Å; K467-F469 HydrophobicContact CB-CE2 3.79Å; K467-F469 HydrophobicContact CB-CZ 4.13Å; K467-F469 VanDerWaalsContact O-CD2 3.22Å; K467-F469 WeakPolarHBondContact O-CD2 3.37Å; K467-F469 WeakPolarHBondContact O-CE2 3.21Å
468	N	79.1	Confident	79.9	Confident	69 Å²	69	72 Å²	72	37%	0.369	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	144.6	-179.4	-65.4	-43.2	0	0	0	111.8	R458 T461 G466	R458-N468 HydrophobicContact CB-CB 3.55Å; R458-N468 PolarHBondContact NE-O 3.05Å; R458-N468 PolarHBondContact NH2-O 3.04Å; R458-N468 WeakPolarHBondContact O-CB 3.42Å; T461-N468 WeakPolarHBondContact CA-OD1 3.32Å; T461-N468 VanDerWaalsContact CB-OD1 3.27Å; T461-N468 WeakPolarHBondContact CB-OD1 3.34Å; T461-N468 VanDerWaalsContact CG2-OD1 3.26Å; T461-N468 WeakPolarHBondContact CG2-OD1 3.28Å; T461-N468 PolarHBondContact OG1-OD1 3.37Å; G466-N468 PolarHBondContact O-N 3.03Å; G466-N468 VanDerWaalsContact O-N 3.16Å; G466-N468 PolarHBondContact O-OD1 3.42Å
469	F	80.2	Confident	80.4	Confident	35 Å²	35	67.4 Å²	67.4	15%	0.154	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.6	176.6	-64.3	-90.8	0	0	0	112.7	R458 F460 C462 K467 K471 H474 L475 H478	R458-F469 CarbonylContact C-O 3.58Å; R458-F469 WeakPolarHBondContact CA-O 3.24Å; F460-F469 HydrophobicContact CB-CB 4.33Å; F460-F469 WeakPolarHBondContact CB-O 3.35Å; F460-F469 WeakPolarHBondContact CD2-O 3.03Å; F460-F469 PolarHBondContact N-O 3.2Å; F460-F469 PolarHBondContact O-N 3.43Å; C462-F469 HydrophobicContact CB-CE2 4.49Å; K467-F469 HydrophobicContact CB-CE2 3.79Å; K467-F469 HydrophobicContact CB-CZ 4.13Å; K467-F469 VanDerWaalsContact O-CD2 3.22Å; K467-F469 WeakPolarHBondContact O-CD2 3.37Å; K467-F469 WeakPolarHBondContact O-CE2 3.21Å; F469-K471 VanDerWaalsContact C-N 3.25Å; F469-K471 PolarHBondContact O-N 3.49Å; F469-H474 HydrophobicContact CB-CB 4.28Å; F469-H474 HydrophobicContact CD1-CB 3.79Å; F469-H474 HydrophobicContact CG-CB 4.31Å; F469-L475 HydrophobicContact CB-CB 4.33Å; F469-L475 HydrophobicContact CD2-CB 4.13Å; F469-L475 HydrophobicContact CD2-CD1 3.99Å; F469-L475 HydrophobicContact CE2-CD1 4.31Å; F469-L475 HydrophobicContact CG-CB 4.38Å; F469-H478 HydrophobicContact CE1-CB 4.15Å; F469-H478 HydrophobicContact CE2-CB 4.05Å; F469-H478 AromaticContact CE2-CD2 3.16Å; F469-H478 WeakPolarHBondContact CE2-CD2 3.44Å; F469-H478 AromaticContact CE2-CG 3.73Å; F469-H478 AromaticContact CE2-NE2 3.92Å; F469-H478 HydrophobicContact CZ-CB 3.64Å; F469-H478 AromaticContact CZ-CD2 3.27Å; F469-H478 WeakPolarHBondContact CZ-CD2 3.48Å; F469-H478 AromaticContact CZ-CG 3.37Å; F469-H478 AromaticContact CZ-NE2 3.94Å
470	G	74.4	Confident	80.8	Confident	34 Å²	34	67 Å²	67	35%	0.351	38%	0.375	S	S	.	.	S	Bend	trans	-75	-7.8	176.3	0	0	0	0	0	114.9
471	K	77.8	Confident	80.9	Confident	111 Å²	111	68.6 Å²	68.6	48%	0.483	39%	0.389	S	S	.	.	S	Bend	trans	-144.2	131.9	-178.4	-62.8	177.8	-173.3	168.8	0	111	F460 F469 T473 H474 L475	F460-K471 VanDerWaalsContact CD2-C 3.44Å; F469-K471 VanDerWaalsContact C-N 3.25Å; F469-K471 PolarHBondContact O-N 3.49Å; K471-T473 PolarHBondContact O-N 3.44Å; K471-T473 VanDerWaalsContact O-N 3.16Å; K471-H474 WeakPolarHBondContact O-CB 3.18Å; K471-H474 PolarHBondContact O-N 3.49Å; K471-L475 PolarHBondContact O-N 3.24Å
472	K	78.9	Confident	81	Confident	137 Å²	137	68.1 Å²	68.1	60%	0.596	38%	0.381	S	S	*	.	H	α-helix	trans	-56.1	-32.1	176.2	-172.2	164.4	-177.8	167.3	0	113.4	F460 H474 L475 V476	F460-K472 HydrophobicContact CD1-CB 3.8Å; F460-K472 HydrophobicContact CD1-CG 4.29Å; F460-K472 HydrophobicContact CD2-CB 4.44Å; F460-K472 VanDerWaalsContact CD2-N 3.27Å; F460-K472 HydrophobicContact CE1-CB 3.74Å; F460-K472 HydrophobicContact CE1-CD 4.39Å; F460-K472 HydrophobicContact CE1-CG 4.42Å; F460-K472 HydrophobicContact CE2-CB 4.39Å; F460-K472 HydrophobicContact CG-CB 4.15Å; F460-K472 HydrophobicContact CZ-CB 4.04Å; K472-H474 VanDerWaalsContact C-N 3.28Å; K472-H474 PolarHBondContact O-N 3.23Å; K472-L475 PolarHBondContact O-N 3.32Å; K472-V476 HydrophobicContact CG-CG2 4.32Å; K472-V476 WeakPolarHBondContact O-CG2 3.39Å; K472-V476 PolarHBondContact O-N 3.26Å
473	T	79.9	Confident	80.8	Confident	101 Å²	101	71.3 Å²	71.3	62%	0.62	40%	0.404	S	S	*	.	H	α-helix	trans	-65.2	-29.4	175.1	49.8	0	0	0	0	113.3	K471 A477	K471-T473 PolarHBondContact O-N 3.44Å; K471-T473 VanDerWaalsContact O-N 3.16Å; T473-A477 VanDerWaalsContact O-CB 3.29Å; T473-A477 WeakPolarHBondContact O-CB 3.45Å; T473-A477 PolarHBondContact O-N 3.28Å; T473-A477 VanDerWaalsContact O-N 3.13Å
474	H	82.8	Confident	80.9	Confident	98 Å²	98	68.8 Å²	68.8	45%	0.454	39%	0.388	S	S	.	.	H	α-helix	trans	-78.8	-38.2	176.3	-66.1	-157.6	0	0	0	110.4	F469 K471 K472 A477 H478	F469-H474 HydrophobicContact CB-CB 4.28Å; F469-H474 HydrophobicContact CD1-CB 3.79Å; F469-H474 HydrophobicContact CG-CB 4.31Å; K471-H474 WeakPolarHBondContact O-CB 3.18Å; K471-H474 PolarHBondContact O-N 3.49Å; K472-H474 VanDerWaalsContact C-N 3.28Å; K472-H474 PolarHBondContact O-N 3.23Å; H474-A477 CarbonylContact O-C 3.2Å; H474-A477 PolarHBondContact O-N 3.28Å; H474-H478 VanDerWaalsContact O-CB 3.31Å; H474-H478 WeakPolarHBondContact O-CB 3.43Å; H474-H478 PolarHBondContact O-N 2.99Å
475	L	84.5	Confident	80.8	Confident	31 Å²	31	67.6 Å²	67.6	16%	0.162	38%	0.382	C	S	.	.	H	α-helix	trans	-59.3	-49.2	171.6	174.8	61.1	0	0	0	111.5	F460 T461 C462 F469 K471 K472 A477 H478 S479	F460-L475 HydrophobicContact CB-CB 4.1Å; F460-L475 HydrophobicContact CB-CD2 3.85Å; T461-L475 WeakPolarHBondContact O-CD2 3.47Å; C462-L475 HydrophobicContact CB-CD1 3.66Å; F469-L475 HydrophobicContact CB-CB 4.33Å; F469-L475 HydrophobicContact CD2-CB 4.13Å; F469-L475 HydrophobicContact CD2-CD1 3.99Å; F469-L475 HydrophobicContact CE2-CD1 4.31Å; F469-L475 HydrophobicContact CG-CB 4.38Å; K471-L475 PolarHBondContact O-N 3.24Å; K472-L475 PolarHBondContact O-N 3.32Å; L475-A477 VanDerWaalsContact C-N 3.26Å; L475-A477 PolarHBondContact O-N 2.75Å; L475-H478 CarbonylContact O-C 3.14Å; L475-H478 WeakPolarHBondContact O-CA 3.26Å; L475-H478 WeakPolarHBondContact O-CB 3.48Å; L475-H478 PolarHBondContact O-N 3.48Å; L475-S479 PolarHBondContact O-N 2.9Å
476	V	83.9	Confident	81	Confident	67 Å²	67	72 Å²	72	41%	0.406	39%	0.392	S	S	.	.	H	α-helix	trans	-66.6	-26.3	177.9	173.4	0	0	0	0	112.6	K472 H478 S479	K472-V476 HydrophobicContact CG-CG2 4.32Å; K472-V476 WeakPolarHBondContact O-CG2 3.39Å; K472-V476 PolarHBondContact O-N 3.26Å; V476-H478 VanDerWaalsContact C-N 3.31Å; V476-S479 PolarHBondContact O-OG 3.08Å
477	A	83.1	Confident	81.3	Confident	17 Å²	17	72.8 Å²	72.8	14%	0.14	39%	0.389	C	S	.	.	H	α-helix	trans	-80.5	-13	171.3	0	0	0	0	0	113.3	T473 H474 L475 Q499	T473-A477 VanDerWaalsContact O-CB 3.29Å; T473-A477 WeakPolarHBondContact O-CB 3.45Å; T473-A477 PolarHBondContact O-N 3.28Å; T473-A477 VanDerWaalsContact O-N 3.13Å; H474-A477 CarbonylContact O-C 3.2Å; H474-A477 PolarHBondContact O-N 3.28Å; L475-A477 VanDerWaalsContact C-N 3.26Å; L475-A477 PolarHBondContact O-N 2.75Å; A477-Q499 HydrophobicContact CB-CG 4.14Å
478	H	85.5	Confident	81.7	Confident	25 Å²	25	70.8 Å²	70.8	12%	0.116	38%	0.38	C	S	.	.	H	α-helix	trans	-98.3	-36.1	179.2	169.3	51.2	0	0	0	113	C465 F469 H474 L475 V476 R480 V481 H482	C465-H478 PolarHBondContact SG-NE2 2.86Å; C465-H478 VanDerWaalsContact SG-NE2 3.38Å; F469-H478 HydrophobicContact CE1-CB 4.15Å; F469-H478 HydrophobicContact CE2-CB 4.05Å; F469-H478 AromaticContact CE2-CD2 3.16Å; F469-H478 WeakPolarHBondContact CE2-CD2 3.44Å; F469-H478 AromaticContact CE2-CG 3.73Å; F469-H478 AromaticContact CE2-NE2 3.92Å; F469-H478 HydrophobicContact CZ-CB 3.64Å; F469-H478 AromaticContact CZ-CD2 3.27Å; F469-H478 WeakPolarHBondContact CZ-CD2 3.48Å; F469-H478 AromaticContact CZ-CG 3.37Å; F469-H478 AromaticContact CZ-NE2 3.94Å; H474-H478 VanDerWaalsContact O-CB 3.31Å; H474-H478 WeakPolarHBondContact O-CB 3.43Å; H474-H478 PolarHBondContact O-N 2.99Å; L475-H478 CarbonylContact O-C 3.14Å; L475-H478 WeakPolarHBondContact O-CA 3.26Å; L475-H478 WeakPolarHBondContact O-CB 3.48Å; L475-H478 PolarHBondContact O-N 3.48Å; V476-H478 VanDerWaalsContact C-N 3.31Å; H478-R480 PolarHBondContact O-N 3.25Å; H478-R480 VanDerWaalsContact O-N 3.13Å; H478-V481 WeakPolarHBondContact O-CB 3.5Å; H478-V481 VanDerWaalsContact O-CG2 3.31Å; H478-V481 WeakPolarHBondContact O-CG2 3.47Å; H478-V481 PolarHBondContact O-N 2.84Å; H478-H482 AromaticContact CE1-NE2 3.66Å; H478-H482 AromaticContact NE2-NE2 3.54Å
479	S	82.5	Confident	82	Confident	38 Å²	38	69.4 Å²	69.4	27%	0.266	38%	0.378	S	S	.	.	H	α-helix	trans	-57.1	-29.7	175.2	58.5	0	0	0	0	112.3	L475 V476 V481 H482 S483	L475-S479 PolarHBondContact O-N 2.9Å; V476-S479 PolarHBondContact O-OG 3.08Å; S479-V481 PolarHBondContact O-N 2.89Å; S479-V481 VanDerWaalsContact O-N 3.09Å; S479-H482 PolarHBondContact O-N 2.98Å; S479-S483 PolarHBondContact O-N 2.88Å
480	R	84.7	Confident	82.4	Confident	58 Å²	58	67.9 Å²	67.9	22%	0.219	37%	0.372	C	S	.	.	H	α-helix	trans	-59.7	-11.4	169.1	-65.9	-166.9	176.9	130.4	11.8	116.2	H478 G484 E485 S498	H478-R480 PolarHBondContact O-N 3.25Å; H478-R480 VanDerWaalsContact O-N 3.13Å; R480-G484 CarbonylContact O-C 3.6Å; R480-E485 HydrophobicContact CB-CB 4.02Å; R480-E485 HydrophobicContact CG-CB 3.75Å; R480-E485 IonicContact NE-OE2 3.18Å; R480-E485 PolarHBondContact NE-OE2 3.36Å; R480-E485 VanDerWaalsContact NE-OE2 3.15Å; R480-E485 PolarHBondContact O-N 2.99Å; R480-S498 WeakPolarHBondContact CD-O 3.17Å; R480-S498 PolarHBondContact NH1-O 2.94Å
481	V	82.1	Confident	82.8	Confident	98 Å²	98	73.7 Å²	73.7	59%	0.594	39%	0.39	S	S	*	.	H	α-helix	trans	-78.5	-33.4	171	-179.4	0	0	0	0	110.2	H478 S479	H478-V481 WeakPolarHBondContact O-CB 3.5Å; H478-V481 VanDerWaalsContact O-CG2 3.31Å; H478-V481 WeakPolarHBondContact O-CG2 3.47Å; H478-V481 PolarHBondContact O-N 2.84Å; S479-V481 PolarHBondContact O-N 2.89Å; S479-V481 VanDerWaalsContact O-N 3.09Å
482	H	82.2	Confident	83	Confident	71 Å²	71	74.8 Å²	74.8	33%	0.329	40%	0.397	S	S	.	.	H	α-helix	trans	-84.1	-49.4	178	-54.9	-61.3	0	0	0	111.4	E464 C465 H478 S479 G484	E464-H482 IonicContact OE1-CD2 2.82Å; E464-H482 WeakPolarHBondContact OE2-CB 3.41Å; E464-H482 IonicContact OE2-CD2 3.8Å; E464-H482 IonicContact OE2-CG 3.75Å; C465-H482 PolarHBondContact SG-CE1 3.24Å; C465-H482 PolarHBondContact SG-NE2 3.49Å; H478-H482 AromaticContact CE1-NE2 3.66Å; H478-H482 AromaticContact NE2-NE2 3.54Å; S479-H482 PolarHBondContact O-N 2.98Å; H482-G484 PolarHBondContact O-N 3.39Å; H482-G484 VanDerWaalsContact O-N 3.07Å
483	S	80.3	Confident	83.2	Confident	71 Å²	71	71 Å²	71	50%	0.497	39%	0.388	S	S	.	.	S	Bend	trans	-72.7	2.6	178.2	70.1	0	0	0	0	114.8	S479 E485	S479-S483 PolarHBondContact O-N 2.88Å; S483-E485 PolarHBondContact O-N 3.24Å
484	G	80.6	Confident	83.3	Confident	50 Å²	50	68.7 Å²	68.7	52%	0.515	38%	0.384	S	S	.	.			trans	63.9	-1.9	-176.4	0	0	0	0	0	115.5	R480 H482 R486	R480-G484 CarbonylContact O-C 3.6Å; H482-G484 PolarHBondContact O-N 3.39Å; H482-G484 VanDerWaalsContact O-N 3.07Å; G484-R486 WeakPolarHBondContact O-CG 3.28Å; G484-R486 PolarHBondContact O-N 3.34Å; G484-R486 VanDerWaalsContact O-N 3.15Å
485	E	80.3	Confident	83.3	Confident	98 Å²	98	71.7 Å²	71.7	46%	0.458	39%	0.391	S	S	.	.			trans	-55.9	115.6	-172.7	-95.1	-171	-154.7	0	0	113	R480 S483 P487	R480-E485 HydrophobicContact CB-CB 4.02Å; R480-E485 HydrophobicContact CG-CB 3.75Å; R480-E485 IonicContact NE-OE2 3.18Å; R480-E485 PolarHBondContact NE-OE2 3.36Å; R480-E485 VanDerWaalsContact NE-OE2 3.15Å; R480-E485 PolarHBondContact O-N 2.99Å; S483-E485 PolarHBondContact O-N 3.24Å; E485-P487 WeakPolarHBondContact O-CD 3.33Å
486	R	83.1	Confident	83.4	Confident	140 Å²	140	76.9 Å²	76.9	53%	0.528	41%	0.408	S	S	.	.			trans	-125	77.3	173.1	-64.4	165.4	82.9	154.9	3.2	109.4	G484 F488 R496 F497	G484-R486 WeakPolarHBondContact O-CG 3.28Å; G484-R486 PolarHBondContact O-N 3.34Å; G484-R486 VanDerWaalsContact O-N 3.15Å; R486-F488 VanDerWaalsContact C-N 3.28Å; R486-F488 PolarHBondContact O-N 3.17Å; R486-R496 HydrophobicContact CB-CB 3.52Å; R486-R496 VanDerWaalsContact CZ-O 3.23Å; R486-R496 PolarHBondContact NE-O 2.97Å; R486-R496 PolarHBondContact NH2-O 3.42Å; R486-R496 PolarHBondContact O-NE 2.87Å; R486-R496 PolarHBondContact O-NH2 3.23Å; R486-F497 CarbonylContact C-O 3.51Å; R486-F497 WeakPolarHBondContact CA-O 3.19Å
487	P	85.1	Confident	83.4	Confident	62 Å²	62	75.5 Å²	75.5	40%	0.403	40%	0.397	S	S	.	.			trans	-70.3	-21.6	-173.5	-19.4	33.8	0	0	0	113.9	E485 A489	E485-P487 WeakPolarHBondContact O-CD 3.33Å; P487-A489 PolarHBondContact O-N 2.88Å
488	F	84.9	Confident	83.4	Confident	75 Å²	75	76 Å²	76	33%	0.329	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	91.2	-172.4	-58	-82.3	0	0	0	110	R486 R496 F497 Q499 G500 L503	R486-F488 VanDerWaalsContact C-N 3.28Å; R486-F488 PolarHBondContact O-N 3.17Å; F488-R496 CarbonylContact O-C 3.51Å; F488-R496 WeakPolarHBondContact O-CA 3.3Å; F488-F497 HydrophobicContact CB-CB 4.26Å; F488-F497 WeakPolarHBondContact CB-O 3.32Å; F488-F497 WeakPolarHBondContact CD2-O 3.43Å; F488-F497 PolarHBondContact N-O 2.75Å; F488-F497 VanDerWaalsContact N-O 3.09Å; F488-F497 PolarHBondContact O-N 3.03Å; F488-Q499 VanDerWaalsContact CD2-C 3.46Å; F488-G500 VanDerWaalsContact CD2-N 3.32Å; F488-L503 HydrophobicContact CB-CB 4.06Å; F488-L503 HydrophobicContact CB-CD2 3.85Å
489	A	86	Confident	83.4	Confident	40 Å²	40	77.7 Å²	77.7	33%	0.331	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	150	173.4	0	0	0	0	0	111.8	P487 R496 L503	P487-A489 PolarHBondContact O-N 2.88Å; A489-R496 HydrophobicContact CB-CG 4.3Å; A489-L503 WeakPolarHBondContact O-CD2 3.31Å
490	C	87.2	Confident	83.5	Confident	4 Å²	4	77.2 Å²	77.2	3%	0.027	41%	0.408	C	S	.	.			trans	-94.3	122.4	164.1	-169.2	0	0	0	0	108.9	E492 G494 R495 L503	C490-E492 PolarHBondContact O-N 3.49Å; C490-G494 VanDerWaalsContact O-CA 3.32Å; C490-G494 WeakPolarHBondContact O-CA 3.39Å; C490-G494 PolarHBondContact O-N 3.16Å; C490-R495 PolarHBondContact N-O 2.88Å; C490-L503 HydrophobicContact CB-CD1 3.61Å
491	E	83.1	Confident	83.4	Confident	155 Å²	155	77.7 Å²	77.7	72%	0.724	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.5	-179	-65	108.3	-167.5	0	0	112.4	R507	E491-R507 IonicContact OE1-CZ 3.89Å; E491-R507 IonicContact OE1-NH2 2.76Å; E491-R507 PolarHBondContact OE1-NH2 3.25Å; E491-R507 IonicContact OE2-CZ 3.58Å; E491-R507 IonicContact OE2-NH1 3.74Å; E491-R507 PolarHBondContact OE2-NH1 3.08Å; E491-R507 IonicContact OE2-NH2 3.79Å; E491-R507 PolarHBondContact OE2-NH2 3.28Å
492	E	81.9	Confident	83.5	Confident	135 Å²	135	77.3 Å²	77.3	63%	0.631	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-17.1	-172	-158.3	-178.8	133	0	0	114.6	C490 H510	C490-E492 PolarHBondContact O-N 3.49Å; E492-H510 VanDerWaalsContact CD-CG 3.44Å; E492-H510 WeakPolarHBondContact OE1-CB 3.45Å; E492-H510 IonicContact OE1-CE1 3.32Å; E492-H510 IonicContact OE1-CG 3.23Å; E492-H510 VanDerWaalsContact OE1-CG 3.3Å; E492-H510 IonicContact OE1-ND1 2.78Å; E492-H510 PolarHBondContact OE1-ND1 2.84Å; E492-H510 VanDerWaalsContact OE2-CB 3.31Å; E492-H510 WeakPolarHBondContact OE2-CB 3.25Å; E492-H510 IonicContact OE2-CG 3.1Å; E492-H510 IonicContact OE2-ND1 3.29Å
493	C	83.1	Confident	83.7	Confident	58 Å²	58	74.7 Å²	74.7	39%	0.392	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.3	13.5	178.1	68.4	0	0	0	0	115.1	R495 H506 H510	C493-R495 PolarHBondContact O-N 2.83Å; C493-H506 PolarHBondContact SG-NE2 3.37Å; C493-H510 PolarHBondContact SG-NE2 3.03Å
494	G	81.4	Confident	83.8	Confident	52 Å²	52	73.9 Å²	73.9	54%	0.536	40%	0.398	S	S	.	.			trans	65.9	-10.4	-178.9	0	0	0	0	0	116	C490 R496	C490-G494 VanDerWaalsContact O-CA 3.32Å; C490-G494 WeakPolarHBondContact O-CA 3.39Å; C490-G494 PolarHBondContact O-N 3.16Å; G494-R496 VanDerWaalsContact O-CG 3.29Å; G494-R496 WeakPolarHBondContact O-CG 3.36Å; G494-R496 PolarHBondContact O-N 2.85Å
495	R	84.3	Confident	83.7	Confident	161 Å²	161	73.3 Å²	73.3	61%	0.608	39%	0.388	S	S	*	.			trans	-58.7	125.5	-175.2	-76.8	-177.5	166.7	-173	-1.1	111.4	C490 C493 F497	C490-R495 PolarHBondContact N-O 2.88Å; C493-R495 PolarHBondContact O-N 2.83Å; R495-F497 HydrophobicContact CB-CE2 3.8Å; R495-F497 HydrophobicContact CB-CZ 4.09Å; R495-F497 WeakPolarHBondContact O-CD2 3.43Å; R495-F497 VanDerWaalsContact O-CE2 3.25Å; R495-F497 WeakPolarHBondContact O-CE2 3.41Å
496	R	85.7	Confident	83.9	Confident	139 Å²	139	69.2 Å²	69.2	53%	0.525	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	143.8	-177	-49.8	-173.5	69.2	130.7	-0.3	112.1	R486 F488 A489 G494	R486-R496 HydrophobicContact CB-CB 3.52Å; R486-R496 VanDerWaalsContact CZ-O 3.23Å; R486-R496 PolarHBondContact NE-O 2.97Å; R486-R496 PolarHBondContact NH2-O 3.42Å; R486-R496 PolarHBondContact O-NE 2.87Å; R486-R496 PolarHBondContact O-NH2 3.23Å; F488-R496 CarbonylContact O-C 3.51Å; F488-R496 WeakPolarHBondContact O-CA 3.3Å; A489-R496 HydrophobicContact CB-CG 4.3Å; G494-R496 VanDerWaalsContact O-CG 3.29Å; G494-R496 WeakPolarHBondContact O-CG 3.36Å; G494-R496 PolarHBondContact O-N 2.85Å
497	F	84.5	Confident	83.8	Confident	39 Å²	39	67.8 Å²	67.8	17%	0.171	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.1	-177.7	-60.7	-92.5	0	0	0	111.3	R486 F488 R495 Q499 H502 L503 H506	R486-F497 CarbonylContact C-O 3.51Å; R486-F497 WeakPolarHBondContact CA-O 3.19Å; F488-F497 HydrophobicContact CB-CB 4.26Å; F488-F497 WeakPolarHBondContact CB-O 3.32Å; F488-F497 WeakPolarHBondContact CD2-O 3.43Å; F488-F497 PolarHBondContact N-O 2.75Å; F488-F497 VanDerWaalsContact N-O 3.09Å; F488-F497 PolarHBondContact O-N 3.03Å; R495-F497 HydrophobicContact CB-CE2 3.8Å; R495-F497 HydrophobicContact CB-CZ 4.09Å; R495-F497 WeakPolarHBondContact O-CD2 3.43Å; R495-F497 VanDerWaalsContact O-CE2 3.25Å; R495-F497 WeakPolarHBondContact O-CE2 3.41Å; F497-Q499 VanDerWaalsContact C-N 3.31Å; F497-H502 HydrophobicContact CB-CB 4.37Å; F497-H502 HydrophobicContact CD1-CB 3.83Å; F497-H502 HydrophobicContact CG-CB 4.38Å; F497-L503 HydrophobicContact CB-CB 4.45Å; F497-L503 HydrophobicContact CD2-CB 4.19Å; F497-L503 HydrophobicContact CD2-CD1 3.97Å; F497-L503 HydrophobicContact CE2-CD1 4.21Å; F497-L503 HydrophobicContact CG-CB 4.44Å; F497-H506 HydrophobicContact CE1-CB 4.06Å; F497-H506 HydrophobicContact CE2-CB 4.02Å; F497-H506 AromaticContact CE2-CD2 3.33Å; F497-H506 WeakPolarHBondContact CE2-CD2 3.26Å; F497-H506 AromaticContact CE2-CG 3.88Å; F497-H506 HydrophobicContact CZ-CB 3.55Å; F497-H506 AromaticContact CZ-CD2 3.26Å; F497-H506 WeakPolarHBondContact CZ-CD2 3.4Å; F497-H506 AromaticContact CZ-CG 3.4Å
498	S	82.6	Confident	83.3	Confident	26 Å²	26	70.8 Å²	70.8	18%	0.182	37%	0.367	C	S	.	.	S	Bend	trans	-79	-13.1	175.5	54.3	0	0	0	0	113.6	R480	R480-S498 WeakPolarHBondContact CD-O 3.17Å; R480-S498 PolarHBondContact NH1-O 2.94Å
499	Q	85.3	Confident	82.7	Confident	62 Å²	62	71.3 Å²	71.3	29%	0.29	37%	0.373	S	S	.	.	S	Bend	trans	-138.5	134.7	178.9	-53.7	-174.7	27.4	0	0	111.9	A477 F488 F497 S501 H502 L503	A477-Q499 HydrophobicContact CB-CG 4.14Å; F488-Q499 VanDerWaalsContact CD2-C 3.46Å; F497-Q499 VanDerWaalsContact C-N 3.31Å; Q499-S501 WeakPolarHBondContact CB-OG 3.38Å; Q499-S501 PolarHBondContact O-N 3.14Å; Q499-S501 PolarHBondContact OE1-OG 2.95Å; Q499-H502 PolarHBondContact O-N 3.33Å; Q499-L503 PolarHBondContact O-N 3.34Å
500	G	84.5	Confident	82.1	Confident	28 Å²	28	71.6 Å²	71.6	29%	0.289	37%	0.368	S	S	.	.	H	α-helix	trans	-64.6	-22.3	176	0	0	0	0	0	114.3	F488 L503 A504	F488-G500 VanDerWaalsContact CD2-N 3.32Å; G500-L503 PolarHBondContact O-N 3.18Å; G500-A504 WeakPolarHBondContact O-CB 3.44Å; G500-A504 PolarHBondContact O-N 3.35Å
501	S	83.1	Confident	81.1	Confident	67 Å²	67	73.4 Å²	73.4	47%	0.469	38%	0.383	S	S	.	.	H	α-helix	trans	-62.2	-40.4	169.5	45.4	0	0	0	0	112.3	Q499 A504 A505	Q499-S501 WeakPolarHBondContact CB-OG 3.38Å; Q499-S501 PolarHBondContact O-N 3.14Å; Q499-S501 PolarHBondContact OE1-OG 2.95Å; S501-A504 PolarHBondContact O-N 2.82Å; S501-A505 PolarHBondContact O-N 2.89Å
502	H	84.8	Confident	80.1	Confident	90 Å²	90	72.1 Å²	72.1	42%	0.417	39%	0.388	S	S	.	.	H	α-helix	trans	-74.2	-37.6	176.3	-59.1	162.5	0	0	0	111	F497 Q499 A504 A505 H506	F497-H502 HydrophobicContact CB-CB 4.37Å; F497-H502 HydrophobicContact CD1-CB 3.83Å; F497-H502 HydrophobicContact CG-CB 4.38Å; Q499-H502 PolarHBondContact O-N 3.33Å; H502-A504 VanDerWaalsContact C-N 3.34Å; H502-A504 PolarHBondContact O-N 2.75Å; H502-A505 WeakPolarHBondContact O-CB 3.26Å; H502-A505 PolarHBondContact O-N 2.75Å; H502-A505 VanDerWaalsContact O-N 3.17Å; H502-H506 WeakPolarHBondContact O-CB 3.29Å; H502-H506 PolarHBondContact O-N 2.93Å
503	L	85.4	Confident	79.4	Confident	16 Å²	16	70.5 Å²	70.5	8%	0.084	38%	0.383	C	S	.	.	H	α-helix	trans	-60.9	-40.7	169.5	178.6	62.6	0	0	0	111.8	F488 A489 C490 F497 Q499 G500 A505 H506 R507	F488-L503 HydrophobicContact CB-CB 4.06Å; F488-L503 HydrophobicContact CB-CD2 3.85Å; A489-L503 WeakPolarHBondContact O-CD2 3.31Å; C490-L503 HydrophobicContact CB-CD1 3.61Å; F497-L503 HydrophobicContact CB-CB 4.45Å; F497-L503 HydrophobicContact CD2-CB 4.19Å; F497-L503 HydrophobicContact CD2-CD1 3.97Å; F497-L503 HydrophobicContact CE2-CD1 4.21Å; F497-L503 HydrophobicContact CG-CB 4.44Å; Q499-L503 PolarHBondContact O-N 3.34Å; G500-L503 PolarHBondContact O-N 3.18Å; L503-A505 VanDerWaalsContact C-N 3.29Å; L503-A505 PolarHBondContact O-N 2.77Å; L503-H506 PolarHBondContact O-N 3.31Å; L503-R507 HydrophobicContact CD1-CG 3.92Å; L503-R507 HydrophobicContact CG-CG 4.2Å; L503-R507 WeakPolarHBondContact O-CB 3.3Å; L503-R507 WeakPolarHBondContact O-CG 3.44Å; L503-R507 PolarHBondContact O-N 3.21Å
504	A	82.3	Confident	78.9	Confident	54 Å²	54	74.6 Å²	74.6	45%	0.446	39%	0.391	S	S	.	.	H	α-helix	trans	-75.8	-12.4	176.1	0	0	0	0	0	114.1	G500 S501 H502 R508	G500-A504 WeakPolarHBondContact O-CB 3.44Å; G500-A504 PolarHBondContact O-N 3.35Å; S501-A504 PolarHBondContact O-N 2.82Å; H502-A504 VanDerWaalsContact C-N 3.34Å; H502-A504 PolarHBondContact O-N 2.75Å; A504-R508 PolarHBondContact O-NE 3.2Å; A504-R508 PolarHBondContact O-NH2 3.04Å
505	A	80.1	Confident	78.7	Confident	38 Å²	38	75.4 Å²	75.4	31%	0.314	39%	0.386	S	S	.	.	H	α-helix	trans	-79	-49.6	162	0	0	0	0	0	110.1	S501 H502 L503 R508	S501-A505 PolarHBondContact O-N 2.89Å; H502-A505 WeakPolarHBondContact O-CB 3.26Å; H502-A505 PolarHBondContact O-N 2.75Å; H502-A505 VanDerWaalsContact O-N 3.17Å; L503-A505 VanDerWaalsContact C-N 3.29Å; L503-A505 PolarHBondContact O-N 2.77Å; A505-R508 VanDerWaalsContact O-CB 3.3Å; A505-R508 WeakPolarHBondContact O-CB 3.45Å; A505-R508 PolarHBondContact O-N 3.34Å
506	H	84	Confident	78.5	Confident	12 Å²	12	70.2 Å²	70.2	6%	0.056	37%	0.368	C	S	.	.	H	α-helix	trans	-68.8	-36.2	-176.7	-178.4	47.7	0	0	0	114.6	C493 F497 H502 L503 R508 D509 H510	C493-H506 PolarHBondContact SG-NE2 3.37Å; F497-H506 HydrophobicContact CE1-CB 4.06Å; F497-H506 HydrophobicContact CE2-CB 4.02Å; F497-H506 AromaticContact CE2-CD2 3.33Å; F497-H506 WeakPolarHBondContact CE2-CD2 3.26Å; F497-H506 AromaticContact CE2-CG 3.88Å; F497-H506 HydrophobicContact CZ-CB 3.55Å; F497-H506 AromaticContact CZ-CD2 3.26Å; F497-H506 WeakPolarHBondContact CZ-CD2 3.4Å; F497-H506 AromaticContact CZ-CG 3.4Å; H502-H506 WeakPolarHBondContact O-CB 3.29Å; H502-H506 PolarHBondContact O-N 2.93Å; L503-H506 PolarHBondContact O-N 3.31Å; H506-R508 CarbonylContact O-C 3.52Å; H506-R508 PolarHBondContact O-N 2.81Å; H506-R508 VanDerWaalsContact O-N 3.07Å; H506-D509 WeakPolarHBondContact CA-OD2 3.28Å; H506-D509 IonicContact CE1-OD2 2.75Å; H506-D509 IonicContact CG-OD2 3.65Å; H506-D509 IonicContact ND1-OD2 3.45Å; H506-D509 PolarHBondContact ND1-OD2 2.74Å; H506-D509 WeakPolarHBondContact O-CA 3.39Å; H506-D509 VanDerWaalsContact O-CB 3.23Å; H506-D509 WeakPolarHBondContact O-CB 3.48Å; H506-D509 PolarHBondContact O-N 3.44Å; H506-H510 AromaticContact CE1-CD2 3.95Å; H506-H510 AromaticContact CE1-NE2 3.53Å; H506-H510 AromaticContact NE2-CD2 3.89Å; H506-H510 AromaticContact NE2-NE2 3.27Å; H506-H510 PolarHBondContact NE2-NE2 2.97Å
507	R	79.6	Confident	78.4	Confident	110 Å²	110	67.5 Å²	67.5	42%	0.415	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-14.9	170.2	-77.9	-174	-173.6	-122.6	4.7	113	E491 L503	E491-R507 IonicContact OE1-CZ 3.89Å; E491-R507 IonicContact OE1-NH2 2.76Å; E491-R507 PolarHBondContact OE1-NH2 3.25Å; E491-R507 IonicContact OE2-CZ 3.58Å; E491-R507 IonicContact OE2-NH1 3.74Å; E491-R507 PolarHBondContact OE2-NH1 3.08Å; E491-R507 IonicContact OE2-NH2 3.79Å; E491-R507 PolarHBondContact OE2-NH2 3.28Å; L503-R507 HydrophobicContact CD1-CG 3.92Å; L503-R507 HydrophobicContact CG-CG 4.2Å; L503-R507 WeakPolarHBondContact O-CB 3.3Å; L503-R507 WeakPolarHBondContact O-CG 3.44Å; L503-R507 PolarHBondContact O-N 3.21Å
508	R	75.9	Confident	78.5	Confident	126 Å²	126	65.7 Å²	65.7	48%	0.475	36%	0.359	S	S	.	.	H	α-helix	trans	-73.9	-48.8	164.8	-73	171.9	-87.5	167	-3.6	110.2	A504 A505 H506 H510 A511 R526	A504-R508 PolarHBondContact O-NE 3.2Å; A504-R508 PolarHBondContact O-NH2 3.04Å; A505-R508 VanDerWaalsContact O-CB 3.3Å; A505-R508 WeakPolarHBondContact O-CB 3.45Å; A505-R508 PolarHBondContact O-N 3.34Å; H506-R508 CarbonylContact O-C 3.52Å; H506-R508 PolarHBondContact O-N 2.81Å; H506-R508 VanDerWaalsContact O-N 3.07Å; R508-H510 PolarHBondContact O-N 3.46Å; R508-A511 PolarHBondContact O-N 3.34Å; R508-R526 VanDerWaalsContact C-CZ 3.46Å; R508-R526 VanDerWaalsContact C-NE 3.31Å; R508-R526 PolarHBondContact O-NE 2.9Å; R508-R526 PolarHBondContact O-NH1 3.44Å; R508-R526 VanDerWaalsContact O-NH1 3.1Å; R508-R526 PolarHBondContact O-NH2 2.93Å
509	D	72.6	Confident	78.5	Confident	86 Å²	86	69.3 Å²	69.3	46%	0.46	38%	0.382	S	S	.	.	H	α-helix	trans	-43.6	-37.1	-177.7	-58.3	-30.1	0	0	0	114.3	H506 R526	H506-D509 WeakPolarHBondContact CA-OD2 3.28Å; H506-D509 IonicContact CE1-OD2 2.75Å; H506-D509 IonicContact CG-OD2 3.65Å; H506-D509 IonicContact ND1-OD2 3.45Å; H506-D509 PolarHBondContact ND1-OD2 2.74Å; H506-D509 WeakPolarHBondContact O-CA 3.39Å; H506-D509 VanDerWaalsContact O-CB 3.23Å; H506-D509 WeakPolarHBondContact O-CB 3.48Å; H506-D509 PolarHBondContact O-N 3.44Å; D509-R526 VanDerWaalsContact C-NH1 3.32Å; D509-R526 PolarHBondContact O-NH1 3.01Å
510	H	73.4	Confident	78.4	Confident	46 Å²	46	69.7 Å²	69.7	21%	0.213	39%	0.386	C	S	.	.	H	α-helix	trans	-65.5	-48.3	175.2	-78.1	-68.7	0	0	0	116.1	E492 C493 H506 R508	E492-H510 VanDerWaalsContact CD-CG 3.44Å; E492-H510 WeakPolarHBondContact OE1-CB 3.45Å; E492-H510 IonicContact OE1-CE1 3.32Å; E492-H510 IonicContact OE1-CG 3.23Å; E492-H510 VanDerWaalsContact OE1-CG 3.3Å; E492-H510 IonicContact OE1-ND1 2.78Å; E492-H510 PolarHBondContact OE1-ND1 2.84Å; E492-H510 VanDerWaalsContact OE2-CB 3.31Å; E492-H510 WeakPolarHBondContact OE2-CB 3.25Å; E492-H510 IonicContact OE2-CG 3.1Å; E492-H510 IonicContact OE2-ND1 3.29Å; C493-H510 PolarHBondContact SG-NE2 3.03Å; H506-H510 AromaticContact CE1-CD2 3.95Å; H506-H510 AromaticContact CE1-NE2 3.53Å; H506-H510 AromaticContact NE2-CD2 3.89Å; H506-H510 AromaticContact NE2-NE2 3.27Å; H506-H510 PolarHBondContact NE2-NE2 2.97Å; R508-H510 PolarHBondContact O-N 3.46Å
511	A	66.2	Low	78.4	Confident	42 Å²	42	70.8 Å²	70.8	35%	0.347	39%	0.389	S	S	.	.	S	Bend	trans	-57.1	135.9	-175.8	0	0	0	0	0	110.5	R508 D513 R526	R508-A511 PolarHBondContact O-N 3.34Å; A511-D513 PolarHBondContact O-N 3.1Å; A511-R526 PolarHBondContact O-NH1 3.1Å; A511-R526 PolarHBondContact O-NH2 2.88Å
512	P	61.1	Low	78.2	Confident	127 Å²	127	70.2 Å²	70.2	83%	0.825	39%	0.393	S	S	*	.	S	Bend	trans	-67.2	-23.3	-176.4	25	-33.8	0	0	0	113	R514	P512-R514 PolarHBondContact O-N 2.95Å
513	D	68.2	Low	78	Confident	101 Å²	101	71.6 Å²	71.6	54%	0.54	40%	0.398	S	S	.	.			trans	-58.2	119	-180	177.3	30.3	0	0	0	113.3	A511 P515 R526	A511-D513 PolarHBondContact O-N 3.1Å; D513-P515 WeakPolarHBondContact O-CD 3.45Å; D513-P515 WeakPolarHBondContact OD1-CB 3.47Å; D513-P515 VanDerWaalsContact OD1-CD 3.31Å; D513-P515 WeakPolarHBondContact OD1-CD 3.26Å; D513-R526 PolarHBondContact O-NH2 3.47Å
514	R	72.5	Confident	77.7	Confident	145 Å²	145	72.3 Å²	72.3	55%	0.547	41%	0.406	S	S	.	.			trans	-123.2	72.8	176.7	-71.1	169.3	170.8	-131.7	11.6	108.1	P512 F516 A524 F525	P512-R514 PolarHBondContact O-N 2.95Å; R514-F516 PolarHBondContact O-N 3.18Å; R514-A524 HydrophobicContact CB-CB 3.57Å; R514-A524 WeakPolarHBondContact CD-O 3.34Å; R514-A524 HydrophobicContact CG-CB 4.44Å; R514-A524 PolarHBondContact NH1-O 2.73Å; R514-F525 CarbonylContact C-O 3.57Å; R514-F525 VanDerWaalsContact C-O 3.29Å
515	P	76.9	Confident	77.6	Confident	68 Å²	68	71.9 Å²	71.9	44%	0.442	39%	0.394	S	S	.	.			trans	-75.7	11.8	-160.6	30.2	-34.8	0	0	0	114.2	D513	D513-P515 WeakPolarHBondContact O-CD 3.45Å; D513-P515 WeakPolarHBondContact OD1-CB 3.47Å; D513-P515 VanDerWaalsContact OD1-CD 3.31Å; D513-P515 WeakPolarHBondContact OD1-CD 3.26Å
516	F	80.8	Confident	77.4	Confident	53 Å²	53	72.3 Å²	72.3	23%	0.232	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	77.9	179.8	-49.4	-57.2	0	0	0	109.5	R514 F525 R526 K528 L531	R514-F516 PolarHBondContact O-N 3.18Å; F516-F525 HydrophobicContact CB-CB 4.41Å; F516-F525 WeakPolarHBondContact CB-O 3.37Å; F516-F525 PolarHBondContact N-O 3.13Å; F516-F525 WeakPolarHBondContact O-CB 3.15Å; F516-F525 PolarHBondContact O-N 3.06Å; F516-R526 WeakPolarHBondContact CE2-O 3.25Å; F516-K528 HydrophobicContact CD1-CD 4.31Å; F516-K528 HydrophobicContact CD1-CG 3.51Å; F516-K528 HydrophobicContact CD2-CG 4.15Å; F516-K528 HydrophobicContact CE1-CD 4.01Å; F516-K528 HydrophobicContact CE1-CG 3.46Å; F516-K528 VanDerWaalsContact CE1-CG 3.46Å; F516-K528 HydrophobicContact CE2-CG 4.08Å; F516-K528 HydrophobicContact CG-CG 3.87Å; F516-K528 HydrophobicContact CZ-CD 4.48Å; F516-K528 HydrophobicContact CZ-CG 3.74Å; F516-L531 HydrophobicContact CB-CB 4.21Å; F516-L531 HydrophobicContact CB-CD2 3.87Å
517	V	82.7	Confident	77.1	Confident	82 Å²	82	74.3 Å²	74.3	50%	0.497	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	140	175.4	-174.9	0	0	0	0	110.3	A524	V517-A524 HydrophobicContact CG2-CB 4.13Å
518	C	87.5	Confident	77.1	Confident	0 Å²	0	76 Å²	76	0%	0	41%	0.407	C	S	.	.			trans	-81.2	117.6	171.5	-161.3	0	0	0	0	109.6	D520 C521 G522 K523 F525 L531 H534	C518-D520 PolarHBondContact O-N 3.4Å; C518-D520 PolarHBondContact SG-OD2 2.96Å; C518-C521 PolarHBondContact O-N 3.44Å; C518-G522 WeakPolarHBondContact O-CA 3.37Å; C518-G522 PolarHBondContact O-N 3.11Å; C518-K523 HydrophobicContact CB-CB 4.47Å; C518-K523 WeakPolarHBondContact CB-O 3.24Å; C518-K523 PolarHBondContact N-O 2.86Å; C518-F525 HydrophobicContact CB-CE2 4.26Å; C518-L531 HydrophobicContact CB-CD1 3.6Å; C518-H534 VanDerWaalsContact SG-CD2 3.51Å
519	P	81.6	Confident	77.4	Confident	103 Å²	103	74.3 Å²	74.3	67%	0.669	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-37.9	180	25.5	-32.6	0	0	0	110.7	C521	P519-C521 PolarHBondContact O-N 2.8Å; P519-C521 VanDerWaalsContact O-N 3.14Å
520	D	82.8	Confident	77.9	Confident	70 Å²	70	77.4 Å²	77.4	37%	0.374	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.8	-172.9	-23.4	-95.7	0	0	0	113.7	C518 R535 H538	C518-D520 PolarHBondContact O-N 3.4Å; C518-D520 PolarHBondContact SG-OD2 2.96Å; D520-R535 IonicContact OD1-CZ 2.97Å; D520-R535 IonicContact OD1-NE 3.76Å; D520-R535 IonicContact OD1-NH2 2.68Å; D520-R535 PolarHBondContact OD1-NH2 3.42Å; D520-R535 IonicContact OD2-CZ 2.68Å; D520-R535 IonicContact OD2-NE 3.95Å; D520-R535 PolarHBondContact OD2-NE 2.87Å; D520-R535 IonicContact OD2-NH2 3Å; D520-H538 HydrophobicContact CB-CB 4.12Å; D520-H538 IonicContact OD2-CD2 3.3Å
521	C	84.1	Confident	78.4	Confident	51 Å²	51	76.5 Å²	76.5	35%	0.345	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162.9	12.5	179.8	68.9	0	0	0	0	117.3	C518 P519 K523 H534 H538	C518-C521 PolarHBondContact O-N 3.44Å; P519-C521 PolarHBondContact O-N 2.8Å; P519-C521 VanDerWaalsContact O-N 3.14Å; C521-K523 PolarHBondContact O-N 3.09Å; C521-H534 PolarHBondContact SG-NE2 3.43Å; C521-H538 PolarHBondContact SG-NE2 2.91Å
522	G	78.8	Confident	79.2	Confident	54 Å²	54	77.1 Å²	77.1	56%	0.557	42%	0.421	S	S	*	.			trans	67.7	-3	179.7	0	0	0	0	0	116.6	C518 A524	C518-G522 WeakPolarHBondContact O-CA 3.37Å; C518-G522 PolarHBondContact O-N 3.11Å; G522-A524 PolarHBondContact O-N 2.94Å
523	K	80.6	Confident	80.3	Confident	120 Å²	120	72.2 Å²	72.2	52%	0.522	39%	0.391	S	S	.	.			trans	-69.5	120.6	-176.8	-72.1	175	-175.3	164.6	0	111.5	C518 C521 F525	C518-K523 HydrophobicContact CB-CB 4.47Å; C518-K523 WeakPolarHBondContact CB-O 3.24Å; C518-K523 PolarHBondContact N-O 2.86Å; C521-K523 PolarHBondContact O-N 3.09Å; K523-F525 HydrophobicContact CB-CE2 3.7Å; K523-F525 HydrophobicContact CB-CZ 4.12Å; K523-F525 WeakPolarHBondContact O-CD2 3.28Å; K523-F525 WeakPolarHBondContact O-CE2 3.48Å
524	A	80.6	Confident	81.1	Confident	30 Å²	30	68.4 Å²	68.4	25%	0.248	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.1	-178.1	0	0	0	0	0	113	R514 V517 G522	R514-A524 HydrophobicContact CB-CB 3.57Å; R514-A524 WeakPolarHBondContact CD-O 3.34Å; R514-A524 HydrophobicContact CG-CB 4.44Å; R514-A524 PolarHBondContact NH1-O 2.73Å; V517-A524 HydrophobicContact CG2-CB 4.13Å; G522-A524 PolarHBondContact O-N 2.94Å
525	F	80.4	Confident	81.7	Confident	46 Å²	46	66 Å²	66	20%	0.202	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.7	-178.3	-65.3	-90.7	0	0	0	112.8	R514 F516 C518 K523 L531 H534	R514-F525 CarbonylContact C-O 3.57Å; R514-F525 VanDerWaalsContact C-O 3.29Å; F516-F525 HydrophobicContact CB-CB 4.41Å; F516-F525 WeakPolarHBondContact CB-O 3.37Å; F516-F525 PolarHBondContact N-O 3.13Å; F516-F525 WeakPolarHBondContact O-CB 3.15Å; F516-F525 PolarHBondContact O-N 3.06Å; C518-F525 HydrophobicContact CB-CE2 4.26Å; K523-F525 HydrophobicContact CB-CE2 3.7Å; K523-F525 HydrophobicContact CB-CZ 4.12Å; K523-F525 WeakPolarHBondContact O-CD2 3.28Å; K523-F525 WeakPolarHBondContact O-CE2 3.48Å; F525-L531 HydrophobicContact CB-CB 4.21Å; F525-L531 HydrophobicContact CD2-CB 4.21Å; F525-L531 HydrophobicContact CD2-CD1 3.99Å; F525-L531 HydrophobicContact CE2-CD1 4.36Å; F525-L531 HydrophobicContact CG-CB 4.32Å; F525-H534 HydrophobicContact CE1-CB 4.01Å; F525-H534 HydrophobicContact CE2-CB 3.97Å; F525-H534 AromaticContact CE2-CD2 3.24Å; F525-H534 WeakPolarHBondContact CE2-CD2 3.3Å; F525-H534 AromaticContact CE2-CG 3.67Å; F525-H534 AromaticContact CE2-NE2 4Å; F525-H534 HydrophobicContact CZ-CB 3.56Å; F525-H534 AromaticContact CZ-CD2 3.28Å; F525-H534 WeakPolarHBondContact CZ-CD2 3.32Å; F525-H534 AromaticContact CZ-CG 3.26Å; F525-H534 AromaticContact CZ-ND1 3.88Å; F525-H534 AromaticContact CZ-NE2 3.9Å
526	R	74.7	Confident	82	Confident	47 Å²	47	65.4 Å²	65.4	18%	0.177	35%	0.35	C	S	.	.	S	Bend	trans	-81.7	-22	-179	165.1	141.2	-89.6	125.2	11.2	114.2	R508 D509 A511 D513 F516	R508-R526 VanDerWaalsContact C-CZ 3.46Å; R508-R526 VanDerWaalsContact C-NE 3.31Å; R508-R526 PolarHBondContact O-NE 2.9Å; R508-R526 PolarHBondContact O-NH1 3.44Å; R508-R526 VanDerWaalsContact O-NH1 3.1Å; R508-R526 PolarHBondContact O-NH2 2.93Å; D509-R526 VanDerWaalsContact C-NH1 3.32Å; D509-R526 PolarHBondContact O-NH1 3.01Å; A511-R526 PolarHBondContact O-NH1 3.1Å; A511-R526 PolarHBondContact O-NH2 2.88Å; D513-R526 PolarHBondContact O-NH2 3.47Å; F516-R526 WeakPolarHBondContact CE2-O 3.25Å
527	H	78.3	Confident	82.1	Confident	54 Å²	54	68.2 Å²	68.2	25%	0.25	37%	0.366	C	S	.	.	S	Bend	trans	-142.4	139.3	179	-57.2	-62.4	0	0	0	112.6	P529 Y530 L531	H527-P529 VanDerWaalsContact C-CD 3.46Å; H527-P529 VanDerWaalsContact C-N 3.35Å; H527-Y530 HydrophobicContact CB-CD2 3.96Å; H527-Y530 HydrophobicContact CB-CE2 4.45Å; H527-Y530 AromaticContact CD2-CD2 3.9Å; H527-Y530 AromaticContact CD2-CE2 3.7Å; H527-Y530 PolarHBondContact O-N 3.37Å; H527-L531 PolarHBondContact O-N 2.81Å
528	K	80.2	Confident	82	Confident	144 Å²	144	68 Å²	68	63%	0.626	36%	0.359	S	S	*	.	H	α-helix	trans	-48.9	-41.7	178.1	-65.9	-167.8	177	-167.8	0	114.7	F516 Y530 L531 A532	F516-K528 HydrophobicContact CD1-CD 4.31Å; F516-K528 HydrophobicContact CD1-CG 3.51Å; F516-K528 HydrophobicContact CD2-CG 4.15Å; F516-K528 HydrophobicContact CE1-CD 4.01Å; F516-K528 HydrophobicContact CE1-CG 3.46Å; F516-K528 VanDerWaalsContact CE1-CG 3.46Å; F516-K528 HydrophobicContact CE2-CG 4.08Å; F516-K528 HydrophobicContact CG-CG 3.87Å; F516-K528 HydrophobicContact CZ-CD 4.48Å; F516-K528 HydrophobicContact CZ-CG 3.74Å; K528-Y530 VanDerWaalsContact C-N 3.29Å; K528-Y530 PolarHBondContact O-N 3.28Å; K528-L531 PolarHBondContact O-N 3.19Å; K528-A532 PolarHBondContact O-N 2.86Å
529	P	81.8	Confident	81.7	Confident	92 Å²	92	71 Å²	71	60%	0.597	38%	0.378	S	S	*	.	H	α-helix	trans	-64.5	-29.4	177.9	-24.3	36.3	0	0	0	114.2	H527 A533	H527-P529 VanDerWaalsContact C-CD 3.46Å; H527-P529 VanDerWaalsContact C-N 3.35Å; P529-A533 WeakPolarHBondContact O-CB 3.39Å; P529-A533 PolarHBondContact O-N 2.88Å
530	Y	81.9	Confident	81.6	Confident	151 Å²	151	68.3 Å²	68.3	59%	0.592	37%	0.368	S	S	*	.	H	α-helix	trans	-76.8	-35.9	175.4	-63.2	-41.2	0	0	0	111.9	H527 K528 H534	H527-Y530 HydrophobicContact CB-CD2 3.96Å; H527-Y530 HydrophobicContact CB-CE2 4.45Å; H527-Y530 AromaticContact CD2-CD2 3.9Å; H527-Y530 AromaticContact CD2-CE2 3.7Å; H527-Y530 PolarHBondContact O-N 3.37Å; K528-Y530 VanDerWaalsContact C-N 3.29Å; K528-Y530 PolarHBondContact O-N 3.28Å; Y530-H534 VanDerWaalsContact O-CB 3.26Å; Y530-H534 WeakPolarHBondContact O-CB 3.46Å; Y530-H534 PolarHBondContact O-N 3.36Å
531	L	84.6	Confident	81.5	Confident	26 Å²	26	69.3 Å²	69.3	14%	0.136	37%	0.371	C	S	.	.	H	α-helix	trans	-61.1	-47.8	167.8	172.3	58.9	0	0	0	110.8	F516 C518 F525 H527 K528 A533 H534 R535	F516-L531 HydrophobicContact CB-CB 4.21Å; F516-L531 HydrophobicContact CB-CD2 3.87Å; C518-L531 HydrophobicContact CB-CD1 3.6Å; F525-L531 HydrophobicContact CB-CB 4.21Å; F525-L531 HydrophobicContact CD2-CB 4.21Å; F525-L531 HydrophobicContact CD2-CD1 3.99Å; F525-L531 HydrophobicContact CE2-CD1 4.36Å; F525-L531 HydrophobicContact CG-CB 4.32Å; H527-L531 PolarHBondContact O-N 2.81Å; K528-L531 PolarHBondContact O-N 3.19Å; L531-A533 PolarHBondContact O-N 3.03Å; L531-H534 CarbonylContact O-C 3.58Å; L531-H534 WeakPolarHBondContact O-CA 3.28Å; L531-H534 WeakPolarHBondContact O-CB 3.4Å; L531-H534 PolarHBondContact O-N 3.19Å; L531-R535 HydrophobicContact CD1-CG 3.95Å; L531-R535 HydrophobicContact CG-CG 4.46Å; L531-R535 WeakPolarHBondContact O-CG 3.42Å; L531-R535 PolarHBondContact O-N 2.73Å
532	A	83.4	Confident	81.5	Confident	55 Å²	55	73 Å²	73	46%	0.455	38%	0.381	S	S	.	.	H	α-helix	trans	-60.6	-43.3	178.3	0	0	0	0	0	112.5	K528 H534 R535	K528-A532 PolarHBondContact O-N 2.86Å; A532-H534 VanDerWaalsContact C-N 3.27Å; A532-H534 PolarHBondContact O-N 3.38Å; A532-R535 PolarHBondContact O-N 2.89Å
533	A	83.1	Confident	81.8	Confident	24 Å²	24	73.6 Å²	73.6	20%	0.198	38%	0.375	C	S	.	.	H	α-helix	trans	-67.6	-25.2	174.1	0	0	0	0	0	113.3	P529 L531	P529-A533 WeakPolarHBondContact O-CB 3.39Å; P529-A533 PolarHBondContact O-N 2.88Å; L531-A533 PolarHBondContact O-N 3.03Å
534	H	86.1	Confident	82.1	Confident	22 Å²	22	71.3 Å²	71.3	10%	0.102	36%	0.364	C	S	.	.	H	α-helix	trans	-78.2	-39.7	174.2	179.5	55.4	0	0	0	112.7	C518 C521 F525 Y530 L531 A532 R536 I537 H538	C518-H534 VanDerWaalsContact SG-CD2 3.51Å; C521-H534 PolarHBondContact SG-NE2 3.43Å; F525-H534 HydrophobicContact CE1-CB 4.01Å; F525-H534 HydrophobicContact CE2-CB 3.97Å; F525-H534 AromaticContact CE2-CD2 3.24Å; F525-H534 WeakPolarHBondContact CE2-CD2 3.3Å; F525-H534 AromaticContact CE2-CG 3.67Å; F525-H534 AromaticContact CE2-NE2 4Å; F525-H534 HydrophobicContact CZ-CB 3.56Å; F525-H534 AromaticContact CZ-CD2 3.28Å; F525-H534 WeakPolarHBondContact CZ-CD2 3.32Å; F525-H534 AromaticContact CZ-CG 3.26Å; F525-H534 AromaticContact CZ-ND1 3.88Å; F525-H534 AromaticContact CZ-NE2 3.9Å; Y530-H534 VanDerWaalsContact O-CB 3.26Å; Y530-H534 WeakPolarHBondContact O-CB 3.46Å; Y530-H534 PolarHBondContact O-N 3.36Å; L531-H534 CarbonylContact O-C 3.58Å; L531-H534 WeakPolarHBondContact O-CA 3.28Å; L531-H534 WeakPolarHBondContact O-CB 3.4Å; L531-H534 PolarHBondContact O-N 3.19Å; A532-H534 VanDerWaalsContact C-N 3.27Å; A532-H534 PolarHBondContact O-N 3.38Å; H534-R536 PolarHBondContact O-N 2.8Å; H534-R536 VanDerWaalsContact O-N 3.17Å; H534-I537 VanDerWaalsContact O-CB 3.25Å; H534-I537 WeakPolarHBondContact O-CB 3.49Å; H534-I537 WeakPolarHBondContact O-CG1 3.42Å; H534-I537 PolarHBondContact O-N 3.16Å; H534-H538 AromaticContact CD2-NE2 3.96Å; H534-H538 AromaticContact CE1-NE2 3.86Å; H534-H538 AromaticContact NE2-NE2 3.34Å; H534-H538 PolarHBondContact NE2-NE2 3.29Å
535	R	84.3	Confident	82.5	Confident	94 Å²	94	73.8 Å²	73.8	36%	0.355	38%	0.376	S	S	.	.	H	α-helix	trans	-59.5	-27.9	179.6	-71.7	-163.8	73.5	-124.8	-1.6	113.4	D520 L531 A532 I537 H538 T539	D520-R535 IonicContact OD1-CZ 2.97Å; D520-R535 IonicContact OD1-NE 3.76Å; D520-R535 IonicContact OD1-NH2 2.68Å; D520-R535 PolarHBondContact OD1-NH2 3.42Å; D520-R535 IonicContact OD2-CZ 2.68Å; D520-R535 IonicContact OD2-NE 3.95Å; D520-R535 PolarHBondContact OD2-NE 2.87Å; D520-R535 IonicContact OD2-NH2 3Å; L531-R535 HydrophobicContact CD1-CG 3.95Å; L531-R535 HydrophobicContact CG-CG 4.46Å; L531-R535 WeakPolarHBondContact O-CG 3.42Å; L531-R535 PolarHBondContact O-N 2.73Å; A532-R535 PolarHBondContact O-N 2.89Å; R535-I537 PolarHBondContact O-N 2.94Å; R535-I537 VanDerWaalsContact O-N 3.11Å; R535-H538 WeakPolarHBondContact O-CA 3.47Å; R535-H538 WeakPolarHBondContact O-CB 3.4Å; R535-H538 PolarHBondContact O-N 3.48Å; R535-T539 PolarHBondContact O-N 2.82Å; R535-T539 PolarHBondContact O-OG1 3.29Å
536	R	84.6	Confident	83	Confident	56 Å²	56	71.6 Å²	71.6	21%	0.211	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.6	170.5	-62	-174	-179	151.3	3	115.1	H534 T539 G540 E541 S554	H534-R536 PolarHBondContact O-N 2.8Å; H534-R536 VanDerWaalsContact O-N 3.17Å; R536-T539 WeakPolarHBondContact CA-OG1 3.42Å; R536-G540 CarbonylContact O-C 3.56Å; R536-G540 WeakPolarHBondContact O-CA 3.48Å; R536-G540 PolarHBondContact O-N 2.82Å; R536-E541 HydrophobicContact CB-CB 4.13Å; R536-E541 HydrophobicContact CG-CB 3.9Å; R536-E541 IonicContact NE-OE2 3.15Å; R536-S554 WeakPolarHBondContact CD-O 3.24Å; R536-S554 PolarHBondContact NH1-O 3.38Å
537	I	81.8	Confident	83.5	Confident	112 Å²	112	74.3 Å²	74.3	57%	0.574	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-29	171.8	-55.8	-177.8	0	0	0	110.5	H534 R535	H534-I537 VanDerWaalsContact O-CB 3.25Å; H534-I537 WeakPolarHBondContact O-CB 3.49Å; H534-I537 WeakPolarHBondContact O-CG1 3.42Å; H534-I537 PolarHBondContact O-N 3.16Å; R535-I537 PolarHBondContact O-N 2.94Å; R535-I537 VanDerWaalsContact O-N 3.11Å
538	H	81.4	Confident	83.9	Confident	76 Å²	76	75.2 Å²	75.2	35%	0.352	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-44	177.6	-54.5	-59.1	0	0	0	112	D520 C521 H534 R535 G540	D520-H538 HydrophobicContact CB-CB 4.12Å; D520-H538 IonicContact OD2-CD2 3.3Å; C521-H538 PolarHBondContact SG-NE2 2.91Å; H534-H538 AromaticContact CD2-NE2 3.96Å; H534-H538 AromaticContact CE1-NE2 3.86Å; H534-H538 AromaticContact NE2-NE2 3.34Å; H534-H538 PolarHBondContact NE2-NE2 3.29Å; R535-H538 WeakPolarHBondContact O-CA 3.47Å; R535-H538 WeakPolarHBondContact O-CB 3.4Å; R535-H538 PolarHBondContact O-N 3.48Å; H538-G540 VanDerWaalsContact C-N 3.25Å; H538-G540 PolarHBondContact O-N 3.21Å
539	T	80.9	Confident	84.2	Confident	65 Å²	65	70.5 Å²	70.5	40%	0.399	38%	0.381	S	S	.	.	S	Bend	trans	-78.3	-6.6	177.9	60.7	0	0	0	0	113.8	R535 R536 E541	R535-T539 PolarHBondContact O-N 2.82Å; R535-T539 PolarHBondContact O-OG1 3.29Å; R536-T539 WeakPolarHBondContact CA-OG1 3.42Å; T539-E541 WeakPolarHBondContact CB-OE1 3.41Å; T539-E541 PolarHBondContact O-N 2.98Å; T539-E541 VanDerWaalsContact OG1-CD 3.25Å; T539-E541 WeakPolarHBondContact OG1-CG 3.39Å; T539-E541 PolarHBondContact OG1-OE1 3.24Å
540	G	80.4	Confident	84.4	Confident	45 Å²	45	68.7 Å²	68.7	46%	0.464	38%	0.379	S	S	.	.			trans	68.7	-3.1	-177.1	0	0	0	0	0	115.3	R536 H538 K542	R536-G540 CarbonylContact O-C 3.56Å; R536-G540 WeakPolarHBondContact O-CA 3.48Å; R536-G540 PolarHBondContact O-N 2.82Å; H538-G540 VanDerWaalsContact C-N 3.25Å; H538-G540 PolarHBondContact O-N 3.21Å; G540-K542 WeakPolarHBondContact O-CG 3.41Å; G540-K542 PolarHBondContact O-N 3.33Å
541	E	80.2	Confident	84.6	Confident	92 Å²	92	67.3 Å²	67.3	43%	0.43	38%	0.376	S	S	.	.			trans	-50.1	124.7	-177.4	-82	167.8	-118	0	0	113	R536 T539 P543 S554	R536-E541 HydrophobicContact CB-CB 4.13Å; R536-E541 HydrophobicContact CG-CB 3.9Å; R536-E541 IonicContact NE-OE2 3.15Å; T539-E541 WeakPolarHBondContact CB-OE1 3.41Å; T539-E541 PolarHBondContact O-N 2.98Å; T539-E541 VanDerWaalsContact OG1-CD 3.25Å; T539-E541 WeakPolarHBondContact OG1-CG 3.39Å; T539-E541 PolarHBondContact OG1-OE1 3.24Å; E541-P543 HydrophobicContact CB-CG 4.48Å; E541-P543 WeakPolarHBondContact O-CD 3.21Å; E541-S554 VanDerWaalsContact O-CB 3.3Å; E541-S554 WeakPolarHBondContact O-CB 3.38Å
542	K	84.4	Confident	84.7	Confident	127 Å²	127	67.9 Å²	67.9	55%	0.552	39%	0.385	S	S	*	.			trans	-125.1	69.9	177.1	-72.1	157	-179.7	175.3	0	111.5	G540 Y544 A552 F553	G540-K542 WeakPolarHBondContact O-CG 3.41Å; G540-K542 PolarHBondContact O-N 3.33Å; K542-Y544 PolarHBondContact O-N 2.88Å; K542-A552 HydrophobicContact CB-CB 3.58Å; K542-A552 HydrophobicContact CD-CB 4.22Å; K542-A552 WeakPolarHBondContact CD-O 3.42Å; K542-A552 HydrophobicContact CG-CB 4.42Å; K542-F553 CarbonylContact C-O 3.32Å; K542-F553 VanDerWaalsContact CA-O 3.28Å; K542-F553 WeakPolarHBondContact CA-O 3.48Å
543	P	84.5	Confident	84.8	Confident	68 Å²	68	67.6 Å²	67.6	44%	0.442	37%	0.373	S	S	.	.			trans	-70.3	-0.6	-170.9	-18.5	33.9	0	0	0	115.4	E541	E541-P543 HydrophobicContact CB-CG 4.48Å; E541-P543 WeakPolarHBondContact O-CD 3.21Å
544	Y	86.6	Confident	84.8	Confident	71 Å²	71	67.8 Å²	67.8	28%	0.278	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	86.4	-176.5	-52.1	-68.3	0	0	0	109.8	K542 F553 K556	K542-Y544 PolarHBondContact O-N 2.88Å; Y544-F553 WeakPolarHBondContact CB-O 3.33Å; Y544-F553 WeakPolarHBondContact CD2-O 3.47Å; Y544-F553 PolarHBondContact N-O 3.48Å; Y544-F553 VanDerWaalsContact N-O 3.07Å; Y544-F553 PolarHBondContact O-N 3.34Å; Y544-K556 HydrophobicContact CD1-CB 4Å; Y544-K556 HydrophobicContact CD1-CG 4.44Å; Y544-K556 HydrophobicContact CD2-CB 4.32Å; Y544-K556 VanDerWaalsContact CD2-N 3.26Å; Y544-K556 HydrophobicContact CE1-CB 3.93Å; Y544-K556 HydrophobicContact CE2-CB 4.23Å; Y544-K556 HydrophobicContact CG-CB 4.2Å
545	V	88.4	Confident	84.6	Confident	83 Å²	83	70.3 Å²	70.3	50%	0.503	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139.8	176.3	-174.1	0	0	0	0	110.3	A552 L559	V545-A552 HydrophobicContact CG2-CB 4.08Å; V545-L559 WeakPolarHBondContact O-CD2 3.32Å
546	C	90.8	Very high	84.7	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	40%	0.397	C	S	.	.			trans	-80.7	117.3	169.8	-162.9	0	0	0	0	109.3	D548 C549 G550 K551 F553 L559 H562 H566	C546-D548 PolarHBondContact O-N 2.99Å; C546-D548 PolarHBondContact SG-OD2 3.2Å; C546-C549 PolarHBondContact O-N 3.24Å; C546-G550 WeakPolarHBondContact O-CA 3.48Å; C546-G550 PolarHBondContact O-N 2.77Å; C546-K551 HydrophobicContact CB-CB 4.49Å; C546-K551 VanDerWaalsContact CB-O 3.26Å; C546-K551 WeakPolarHBondContact CB-O 3.4Å; C546-K551 PolarHBondContact N-O 3.27Å; C546-F553 HydrophobicContact CB-CE2 4.43Å; C546-L559 HydrophobicContact CB-CD1 3.68Å; C546-H562 VanDerWaalsContact SG-CD2 3.5Å; C546-H566 PolarHBondContact SG-NE2 3.34Å
547	P	86.4	Confident	84.7	Confident	103 Å²	103	73.2 Å²	73.2	67%	0.669	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-33	178.4	27.2	-33.1	0	0	0	110.9	C549	P547-C549 VanDerWaalsContact C-N 3.29Å; P547-C549 PolarHBondContact O-N 3.46Å
548	D	85.8	Confident	84.9	Confident	73 Å²	73	71.3 Å²	71.3	39%	0.39	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-13.9	-171.9	-25.8	-93.2	0	0	0	113.3	C546 R563 H566	C546-D548 PolarHBondContact O-N 2.99Å; C546-D548 PolarHBondContact SG-OD2 3.2Å; D548-R563 IonicContact OD1-CZ 3.71Å; D548-R563 IonicContact OD1-NE 3.5Å; D548-R563 PolarHBondContact OD1-NE 2.94Å; D548-R563 IonicContact OD1-NH2 3.92Å; D548-R563 PolarHBondContact OD1-NH2 3.38Å; D548-R563 IonicContact OD2-CZ 2.75Å; D548-R563 IonicContact OD2-NE 3.27Å; D548-R563 PolarHBondContact OD2-NE 3.48Å; D548-R563 IonicContact OD2-NH2 2.75Å; D548-H566 HydrophobicContact CB-CB 4.33Å; D548-H566 IonicContact OD2-CD2 3.75Å
549	C	88.1	Confident	85.2	Confident	45 Å²	45	68.8 Å²	68.8	30%	0.304	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161.4	17.5	179.3	77	0	0	0	0	116.2	C546 P547 K551 H562 H566	C546-C549 PolarHBondContact O-N 3.24Å; P547-C549 VanDerWaalsContact C-N 3.29Å; P547-C549 PolarHBondContact O-N 3.46Å; C549-K551 PolarHBondContact O-N 3.33Å; C549-H562 PolarHBondContact SG-NE2 3Å; C549-H566 WeakPolarHBondContact CB-CE1 3.44Å; C549-H566 WeakPolarHBondContact CB-NE2 3.06Å; C549-H566 PolarHBondContact SG-CE1 3.01Å; C549-H566 PolarHBondContact SG-NE2 2.73Å
550	G	84.6	Confident	85.5	Confident	54 Å²	54	69.3 Å²	69.3	56%	0.557	39%	0.394	S	S	*	.			trans	66.8	-7.7	179.5	0	0	0	0	0	117.3	C546 A552	C546-G550 WeakPolarHBondContact O-CA 3.48Å; C546-G550 PolarHBondContact O-N 2.77Å; G550-A552 PolarHBondContact O-N 2.82Å
551	K	86.5	Confident	85.7	Confident	123 Å²	123	68.3 Å²	68.3	54%	0.535	38%	0.38	S	S	.	.			trans	-67.7	124.8	-174.6	-71.5	175.1	-174.7	168.2	0	111.2	C546 C549 F553	C546-K551 HydrophobicContact CB-CB 4.49Å; C546-K551 VanDerWaalsContact CB-O 3.26Å; C546-K551 WeakPolarHBondContact CB-O 3.4Å; C546-K551 PolarHBondContact N-O 3.27Å; C549-K551 PolarHBondContact O-N 3.33Å; K551-F553 HydrophobicContact CB-CE2 3.98Å; K551-F553 HydrophobicContact CB-CZ 4.17Å; K551-F553 WeakPolarHBondContact O-CD2 3.46Å; K551-F553 WeakPolarHBondContact O-CE2 3.47Å
552	A	87.1	Confident	86	Confident	38 Å²	38	65 Å²	65	31%	0.314	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.1	-172.6	0	0	0	0	0	113.2	K542 V545 G550	K542-A552 HydrophobicContact CB-CB 3.58Å; K542-A552 HydrophobicContact CD-CB 4.22Å; K542-A552 WeakPolarHBondContact CD-O 3.42Å; K542-A552 HydrophobicContact CG-CB 4.42Å; V545-A552 HydrophobicContact CG2-CB 4.08Å; G550-A552 PolarHBondContact O-N 2.82Å
553	F	85	Confident	86.1	Confident	48 Å²	48	63.6 Å²	63.6	21%	0.211	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.1	-175.5	-59.3	-89	0	0	0	112.5	K542 Y544 C546 K551 Q555 N558 L559 H562	K542-F553 CarbonylContact C-O 3.32Å; K542-F553 VanDerWaalsContact CA-O 3.28Å; K542-F553 WeakPolarHBondContact CA-O 3.48Å; Y544-F553 WeakPolarHBondContact CB-O 3.33Å; Y544-F553 WeakPolarHBondContact CD2-O 3.47Å; Y544-F553 PolarHBondContact N-O 3.48Å; Y544-F553 VanDerWaalsContact N-O 3.07Å; Y544-F553 PolarHBondContact O-N 3.34Å; C546-F553 HydrophobicContact CB-CE2 4.43Å; K551-F553 HydrophobicContact CB-CE2 3.98Å; K551-F553 HydrophobicContact CB-CZ 4.17Å; K551-F553 WeakPolarHBondContact O-CD2 3.46Å; K551-F553 WeakPolarHBondContact O-CE2 3.47Å; F553-Q555 VanDerWaalsContact C-N 3.34Å; F553-N558 HydrophobicContact CB-CB 4.32Å; F553-N558 HydrophobicContact CD1-CB 3.93Å; F553-N558 HydrophobicContact CG-CB 4.36Å; F553-L559 HydrophobicContact CB-CB 4.4Å; F553-L559 HydrophobicContact CD2-CB 4.01Å; F553-L559 HydrophobicContact CD2-CD1 4.12Å; F553-L559 HydrophobicContact CE2-CD1 4.34Å; F553-L559 HydrophobicContact CG-CB 4.4Å; F553-H562 HydrophobicContact CE1-CB 4.18Å; F553-H562 HydrophobicContact CE2-CB 3.9Å; F553-H562 AromaticContact CE2-CD2 3.34Å; F553-H562 WeakPolarHBondContact CE2-CD2 3.43Å; F553-H562 AromaticContact CE2-CG 3.7Å; F553-H562 HydrophobicContact CZ-CB 3.57Å; F553-H562 AromaticContact CZ-CD2 3.39Å; F553-H562 WeakPolarHBondContact CZ-CD2 3.46Å; F553-H562 AromaticContact CZ-CG 3.32Å; F553-H562 AromaticContact CZ-ND1 3.94Å
554	S	83.5	Confident	86.2	Confident	29 Å²	29	62.7 Å²	62.7	20%	0.203	34%	0.343	C	S	.	.	S	Bend	trans	-79	-13.9	177.1	56.8	0	0	0	0	114.2	R536 E541	R536-S554 WeakPolarHBondContact CD-O 3.24Å; R536-S554 PolarHBondContact NH1-O 3.38Å; E541-S554 VanDerWaalsContact O-CB 3.3Å; E541-S554 WeakPolarHBondContact O-CB 3.38Å
555	Q	82.6	Confident	86.1	Confident	74 Å²	74	64.8 Å²	64.8	35%	0.346	36%	0.358	S	S	.	.	S	Bend	trans	-135.7	135.4	-179.5	-58.2	-174	11.8	0	0	112.2	F553 S557 N558 L559	F553-Q555 VanDerWaalsContact C-N 3.34Å; Q555-S557 VanDerWaalsContact C-N 3.28Å; Q555-S557 PolarHBondContact O-N 3.16Å; Q555-N558 WeakPolarHBondContact O-CB 3.43Å; Q555-N558 PolarHBondContact O-N 3.21Å; Q555-L559 PolarHBondContact O-N 2.86Å
556	K	85.7	Confident	85.9	Confident	141 Å²	141	65 Å²	65	61%	0.613	35%	0.353	S	S	*	.	H	α-helix	trans	-61.9	-32.3	-178.7	-175.5	171.2	-179.8	171.5	0	113.2	Y544 N558 L559 V560	Y544-K556 HydrophobicContact CD1-CB 4Å; Y544-K556 HydrophobicContact CD1-CG 4.44Å; Y544-K556 HydrophobicContact CD2-CB 4.32Å; Y544-K556 VanDerWaalsContact CD2-N 3.26Å; Y544-K556 HydrophobicContact CE1-CB 3.93Å; Y544-K556 HydrophobicContact CE2-CB 4.23Å; Y544-K556 HydrophobicContact CG-CB 4.2Å; K556-N558 PolarHBondContact O-N 2.83Å; K556-L559 PolarHBondContact O-N 3.4Å; K556-V560 HydrophobicContact CG-CG2 4.4Å; K556-V560 WeakPolarHBondContact O-CG2 3.4Å; K556-V560 PolarHBondContact O-N 3.33Å
557	S	83.8	Confident	85.6	Confident	70 Å²	70	68.3 Å²	68.3	49%	0.49	37%	0.374	S	S	.	.	H	α-helix	trans	-56.1	-40.1	172.6	43.9	0	0	0	0	112.5	Q555 V560 S561	Q555-S557 VanDerWaalsContact C-N 3.28Å; Q555-S557 PolarHBondContact O-N 3.16Å; S557-V560 PolarHBondContact O-N 2.8Å; S557-S561 WeakPolarHBondContact O-CB 3.45Å; S557-S561 PolarHBondContact O-N 3.45Å
558	N	86	Confident	85.4	Confident	72 Å²	72	65.8 Å²	65.8	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-77	-39	-174.5	-58.1	15	0	0	0	109.8	F553 Q555 K556 S561 H562	F553-N558 HydrophobicContact CB-CB 4.32Å; F553-N558 HydrophobicContact CD1-CB 3.93Å; F553-N558 HydrophobicContact CG-CB 4.36Å; Q555-N558 WeakPolarHBondContact O-CB 3.43Å; Q555-N558 PolarHBondContact O-N 3.21Å; K556-N558 PolarHBondContact O-N 2.83Å; N558-S561 PolarHBondContact O-N 3.14Å; N558-H562 VanDerWaalsContact O-CB 3.23Å; N558-H562 WeakPolarHBondContact O-CB 3.45Å; N558-H562 PolarHBondContact O-N 2.82Å
559	L	88	Confident	85.2	Confident	23 Å²	23	66.8 Å²	66.8	12%	0.12	37%	0.369	C	S	.	.	H	α-helix	trans	-58.6	-49.9	168.4	171.9	60.1	0	0	0	111.6	V545 C546 F553 Q555 K556 S561 H562 R563	V545-L559 WeakPolarHBondContact O-CD2 3.32Å; C546-L559 HydrophobicContact CB-CD1 3.68Å; F553-L559 HydrophobicContact CB-CB 4.4Å; F553-L559 HydrophobicContact CD2-CB 4.01Å; F553-L559 HydrophobicContact CD2-CD1 4.12Å; F553-L559 HydrophobicContact CE2-CD1 4.34Å; F553-L559 HydrophobicContact CG-CB 4.4Å; Q555-L559 PolarHBondContact O-N 2.86Å; K556-L559 PolarHBondContact O-N 3.4Å; L559-S561 VanDerWaalsContact C-N 3.31Å; L559-S561 PolarHBondContact O-N 2.92Å; L559-H562 WeakPolarHBondContact O-CB 3.27Å; L559-H562 PolarHBondContact O-N 3.45Å; L559-R563 HydrophobicContact CD1-CG 3.96Å; L559-R563 PolarHBondContact O-N 3.14Å
560	V	86.5	Confident	85.1	Confident	76 Å²	76	71.8 Å²	71.8	46%	0.461	38%	0.381	S	S	.	.	H	α-helix	trans	-60.5	-41	179.3	170.1	0	0	0	0	111.4	K556 S557 H562	K556-V560 HydrophobicContact CG-CG2 4.4Å; K556-V560 WeakPolarHBondContact O-CG2 3.4Å; K556-V560 PolarHBondContact O-N 3.33Å; S557-V560 PolarHBondContact O-N 2.8Å; V560-H562 VanDerWaalsContact C-N 3.31Å; V560-H562 PolarHBondContact O-N 2.89Å
561	S	84.4	Confident	85.1	Confident	25 Å²	25	72.5 Å²	72.5	18%	0.175	38%	0.376	C	S	.	.	H	α-helix	trans	-70.7	-25	174.7	-172.5	0	0	0	0	113.8	S557 N558 L559 Q583	S557-S561 WeakPolarHBondContact O-CB 3.45Å; S557-S561 PolarHBondContact O-N 3.45Å; N558-S561 PolarHBondContact O-N 3.14Å; L559-S561 VanDerWaalsContact C-N 3.31Å; L559-S561 PolarHBondContact O-N 2.92Å; S561-Q583 WeakPolarHBondContact OG-CG 3.15Å; S561-Q583 PolarHBondContact OG-NE2 3.46Å
562	H	87.7	Confident	85.1	Confident	22 Å²	22	70.2 Å²	70.2	10%	0.102	37%	0.365	C	S	.	.	H	α-helix	trans	-78	-39.4	177.3	174.9	57.7	0	0	0	111.8	C546 C549 F553 N558 L559 V560 R564 I565 H566	C546-H562 VanDerWaalsContact SG-CD2 3.5Å; C549-H562 PolarHBondContact SG-NE2 3Å; F553-H562 HydrophobicContact CE1-CB 4.18Å; F553-H562 HydrophobicContact CE2-CB 3.9Å; F553-H562 AromaticContact CE2-CD2 3.34Å; F553-H562 WeakPolarHBondContact CE2-CD2 3.43Å; F553-H562 AromaticContact CE2-CG 3.7Å; F553-H562 HydrophobicContact CZ-CB 3.57Å; F553-H562 AromaticContact CZ-CD2 3.39Å; F553-H562 WeakPolarHBondContact CZ-CD2 3.46Å; F553-H562 AromaticContact CZ-CG 3.32Å; F553-H562 AromaticContact CZ-ND1 3.94Å; N558-H562 VanDerWaalsContact O-CB 3.23Å; N558-H562 WeakPolarHBondContact O-CB 3.45Å; N558-H562 PolarHBondContact O-N 2.82Å; L559-H562 WeakPolarHBondContact O-CB 3.27Å; L559-H562 PolarHBondContact O-N 3.45Å; V560-H562 VanDerWaalsContact C-N 3.31Å; V560-H562 PolarHBondContact O-N 2.89Å; H562-R564 PolarHBondContact O-N 2.77Å; H562-R564 VanDerWaalsContact O-N 3.13Å; H562-I565 VanDerWaalsContact O-CB 3.27Å; H562-I565 WeakPolarHBondContact O-CB 3.41Å; H562-I565 WeakPolarHBondContact O-CG1 3.48Å; H562-I565 PolarHBondContact O-N 3.14Å; H562-H566 AromaticContact CD2-NE2 3.32Å; H562-H566 PolarHBondContact CD2-NE2 3.27Å; H562-H566 VanDerWaalsContact CD2-NE2 3.32Å; H562-H566 AromaticContact CE1-NE2 3.38Å; H562-H566 PolarHBondContact CE1-NE2 3.28Å; H562-H566 AromaticContact NE2-NE2 2.61Å; H562-H566 PolarHBondContact NE2-NE2 3Å
563	R	86.5	Confident	85.1	Confident	98 Å²	98	71.2 Å²	71.2	37%	0.37	37%	0.373	S	S	.	.	H	α-helix	trans	-59.4	-25.7	177.9	-69	-166.8	75.2	-124.9	-0.5	113.6	D548 L559 I565 H566 T567	D548-R563 IonicContact OD1-CZ 3.71Å; D548-R563 IonicContact OD1-NE 3.5Å; D548-R563 PolarHBondContact OD1-NE 2.94Å; D548-R563 IonicContact OD1-NH2 3.92Å; D548-R563 PolarHBondContact OD1-NH2 3.38Å; D548-R563 IonicContact OD2-CZ 2.75Å; D548-R563 IonicContact OD2-NE 3.27Å; D548-R563 PolarHBondContact OD2-NE 3.48Å; D548-R563 IonicContact OD2-NH2 2.75Å; L559-R563 HydrophobicContact CD1-CG 3.96Å; L559-R563 PolarHBondContact O-N 3.14Å; R563-I565 PolarHBondContact O-N 3.41Å; R563-H566 WeakPolarHBondContact O-CB 3.28Å; R563-H566 PolarHBondContact O-N 3.33Å; R563-T567 PolarHBondContact O-N 2.94Å
564	R	86.7	Confident	85	Confident	49 Å²	49	69.4 Å²	69.4	19%	0.185	37%	0.366	C	S	.	.	H	α-helix	trans	-61.4	-17.5	170.8	-66.8	-174.4	173.3	161.4	0.3	114.8	H562 G568 E569 Y572 S582	H562-R564 PolarHBondContact O-N 2.77Å; H562-R564 VanDerWaalsContact O-N 3.13Å; R564-G568 CarbonylContact O-C 3.57Å; R564-G568 PolarHBondContact O-N 2.85Å; R564-E569 HydrophobicContact CB-CB 4.14Å; R564-E569 HydrophobicContact CG-CB 3.95Å; R564-E569 IonicContact NE-OE2 3.48Å; R564-E569 PolarHBondContact O-N 3.25Å; R564-Y572 PolarHBondContact NH1-OH 3.47Å; R564-S582 WeakPolarHBondContact CD-O 3.38Å; R564-S582 PolarHBondContact NH1-O 2.99Å
565	I	84.3	Confident	84.9	Confident	115 Å²	115	72.9 Å²	72.9	59%	0.59	39%	0.388	S	S	*	.	H	α-helix	trans	-74.6	-36	172.3	-56.6	179.4	0	0	0	109.7	H562 R563	H562-I565 VanDerWaalsContact O-CB 3.27Å; H562-I565 WeakPolarHBondContact O-CB 3.41Å; H562-I565 WeakPolarHBondContact O-CG1 3.48Å; H562-I565 PolarHBondContact O-N 3.14Å; R563-I565 PolarHBondContact O-N 3.41Å
566	H	84.6	Confident	84.6	Confident	86 Å²	86	71.2 Å²	71.2	40%	0.398	38%	0.381	S	S	.	.	H	α-helix	trans	-79.7	-37.6	177.9	-55.1	-54.2	0	0	0	112.6	C546 D548 C549 H562 R563 G568	C546-H566 PolarHBondContact SG-NE2 3.34Å; D548-H566 HydrophobicContact CB-CB 4.33Å; D548-H566 IonicContact OD2-CD2 3.75Å; C549-H566 WeakPolarHBondContact CB-CE1 3.44Å; C549-H566 WeakPolarHBondContact CB-NE2 3.06Å; C549-H566 PolarHBondContact SG-CE1 3.01Å; C549-H566 PolarHBondContact SG-NE2 2.73Å; H562-H566 AromaticContact CD2-NE2 3.32Å; H562-H566 PolarHBondContact CD2-NE2 3.27Å; H562-H566 VanDerWaalsContact CD2-NE2 3.32Å; H562-H566 AromaticContact CE1-NE2 3.38Å; H562-H566 PolarHBondContact CE1-NE2 3.28Å; H562-H566 AromaticContact NE2-NE2 2.61Å; H562-H566 PolarHBondContact NE2-NE2 3Å; R563-H566 WeakPolarHBondContact O-CB 3.28Å; R563-H566 PolarHBondContact O-N 3.33Å; H566-G568 VanDerWaalsContact C-N 3.32Å
567	T	83	Confident	84.4	Confident	71 Å²	71	65.6 Å²	65.6	44%	0.436	36%	0.36	S	S	.	.	S	Bend	trans	-84.1	-3	176.8	63.2	0	0	0	0	114.1	R563 E569	R563-T567 PolarHBondContact O-N 2.94Å; T567-E569 PolarHBondContact O-N 2.86Å; T567-E569 WeakPolarHBondContact OG1-CG 3.44Å; T567-E569 PolarHBondContact OG1-OE1 3.01Å
568	G	82.3	Confident	84.2	Confident	50 Å²	50	69.9 Å²	69.9	52%	0.515	38%	0.377	S	S	.	.			trans	65.4	1	-174.9	0	0	0	0	0	115.3	R564 H566 R570	R564-G568 CarbonylContact O-C 3.57Å; R564-G568 PolarHBondContact O-N 2.85Å; H566-G568 VanDerWaalsContact C-N 3.32Å; G568-R570 WeakPolarHBondContact O-CG 3.3Å; G568-R570 PolarHBondContact O-N 3.43Å
569	E	83.1	Confident	83.9	Confident	93 Å²	93	73.6 Å²	73.6	44%	0.435	39%	0.386	S	S	.	.			trans	-57.8	122.8	-176.1	-84.6	171.8	-123.7	0	0	113	R564 T567 P571 S582	R564-E569 HydrophobicContact CB-CB 4.14Å; R564-E569 HydrophobicContact CG-CB 3.95Å; R564-E569 IonicContact NE-OE2 3.48Å; R564-E569 PolarHBondContact O-N 3.25Å; T567-E569 PolarHBondContact O-N 2.86Å; T567-E569 WeakPolarHBondContact OG1-CG 3.44Å; T567-E569 PolarHBondContact OG1-OE1 3.01Å; E569-P571 HydrophobicContact CB-CG 4.29Å; E569-P571 WeakPolarHBondContact O-CD 3.4Å; E569-S582 WeakPolarHBondContact O-CB 3.34Å
570	R	84.3	Confident	83.8	Confident	151 Å²	151	74.3 Å²	74.3	57%	0.57	39%	0.393	S	S	*	.			trans	-124	67.3	175.8	-64.7	169	84	129.3	-0.5	111.4	G568 Y572 S580 F581	G568-R570 WeakPolarHBondContact O-CG 3.3Å; G568-R570 PolarHBondContact O-N 3.43Å; R570-Y572 PolarHBondContact O-N 2.89Å; R570-S580 PolarHBondContact NE-O 3.12Å; R570-S580 PolarHBondContact NH2-O 3.17Å; R570-F581 CarbonylContact C-O 3.23Å; R570-F581 WeakPolarHBondContact CA-O 3.28Å
571	P	85.5	Confident	83.7	Confident	69 Å²	69	72.4 Å²	72.4	45%	0.448	38%	0.378	S	S	.	.			trans	-73.7	12.8	-167.2	-16.4	33.8	0	0	0	115.8	E569	E569-P571 HydrophobicContact CB-CG 4.29Å; E569-P571 WeakPolarHBondContact O-CD 3.4Å
572	Y	85.9	Confident	83.7	Confident	74 Å²	74	72.5 Å²	72.5	29%	0.29	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	80	-178.2	-51.5	-62.4	0	0	0	109.5	R564 R570 S580 F581 S582 K584	R564-Y572 PolarHBondContact NH1-OH 3.47Å; R570-Y572 PolarHBondContact O-N 2.89Å; Y572-S580 CarbonylContact O-C 3.41Å; Y572-S580 WeakPolarHBondContact O-CA 3.44Å; Y572-F581 WeakPolarHBondContact CB-O 3.41Å; Y572-F581 WeakPolarHBondContact CD2-O 3.39Å; Y572-F581 PolarHBondContact N-O 3.41Å; Y572-F581 VanDerWaalsContact N-O 3.16Å; Y572-F581 PolarHBondContact O-N 3.21Å; Y572-S582 WeakPolarHBondContact CE2-O 3.13Å; Y572-K584 HydrophobicContact CD1-CB 4.27Å; Y572-K584 HydrophobicContact CD2-CB 4.25Å; Y572-K584 VanDerWaalsContact CD2-N 3.31Å; Y572-K584 HydrophobicContact CE1-CB 4.19Å; Y572-K584 HydrophobicContact CE2-CB 4.14Å; Y572-K584 HydrophobicContact CG-CB 4.32Å
573	A	86.9	Confident	83.5	Confident	60 Å²	60	75.2 Å²	75.2	50%	0.496	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	146.4	167.3	0	0	0	0	0	111.1	S580 L587	A573-S580 WeakPolarHBondContact CA-OG 3.12Å; A573-L587 WeakPolarHBondContact O-CD2 3.37Å
574	C	84.3	Confident	83.5	Confident	9 Å²	9	76.6 Å²	76.6	6%	0.061	40%	0.4	C	S	.	.			trans	-77	139.3	159.6	-150	0	0	0	0	108.1	D576 C577 R579 L587 H590	C574-D576 PolarHBondContact SG-OD2 2.88Å; C574-C577 VanDerWaalsContact CB-O 3.31Å; C574-C577 WeakPolarHBondContact CB-O 3.3Å; C574-R579 WeakPolarHBondContact CB-O 3.11Å; C574-R579 PolarHBondContact N-O 3.2Å; C574-L587 HydrophobicContact CB-CD1 3.82Å; C574-H590 VanDerWaalsContact SG-CD2 3.57Å
575	P	80.3	Confident	83.3	Confident	102 Å²	102	77.2 Å²	77.2	66%	0.662	41%	0.412	S	S	*	.	S	Bend	trans	-76.6	-18.6	169.7	29.9	-30.5	0	0	0	111.8
576	D	76.1	Confident	83.4	Confident	39 Å²	39	74.8 Å²	74.8	21%	0.209	40%	0.4	C	S	.	.	S	Bend	trans	-99.6	-2.9	-170.4	-30.8	-71.3	0	0	0	112.9	C574 R591 H594 Q619	C574-D576 PolarHBondContact SG-OD2 2.88Å; D576-R591 IonicContact OD1-CZ 3.63Å; D576-R591 IonicContact OD1-NE 2.78Å; D576-R591 PolarHBondContact OD1-NE 2.99Å; D576-R591 IonicContact OD1-NH2 3.55Å; D576-R591 PolarHBondContact OD1-NH2 3.2Å; D576-R591 WeakPolarHBondContact OD2-CD 3.44Å; D576-R591 WeakPolarHBondContact OD2-CG 3.07Å; D576-R591 IonicContact OD2-CZ 3.76Å; D576-R591 IonicContact OD2-NE 3.62Å; D576-R591 PolarHBondContact OD2-NE 3.48Å; D576-R591 IonicContact OD2-NH2 3.62Å; D576-H594 IonicContact OD2-CD2 2.74Å; D576-Q619 PolarHBondContact O-NE2 2.82Å
577	C	81.8	Confident	83.5	Confident	24 Å²	24	71.9 Å²	71.9	16%	0.162	39%	0.388	C	S	.	.	S	Bend	trans	-174	168.8	167.4	64.4	0	0	0	0	112	C574 R579 H590 H594 A603	C574-C577 VanDerWaalsContact CB-O 3.31Å; C574-C577 WeakPolarHBondContact CB-O 3.3Å; C577-R579 PolarHBondContact O-N 3.02Å; C577-H590 PolarHBondContact SG-NE2 3.14Å; C577-H594 PolarHBondContact SG-NE2 3.38Å; C577-A603 HydrophobicContact CB-CB 3.47Å; C577-A603 VanDerWaalsContact CB-CB 3.47Å
578	D	79.5	Confident	83.5	Confident	159 Å²	159	72.8 Å²	72.8	85%	0.85	39%	0.389	S	S	*	.	S	Bend	trans	-64.3	-3.2	-175.3	-50.5	-79.2	0	0	0	116.2	S580	D578-S580 PolarHBondContact O-N 2.89Å
579	R	80.3	Confident	83.4	Confident	151 Å²	151	74.8 Å²	74.8	57%	0.57	39%	0.392	S	S	*	.			trans	-69.5	101.3	-176.7	-68.5	-176.1	175.4	-178	2.4	110.9	C574 C577 F581	C574-R579 WeakPolarHBondContact CB-O 3.11Å; C574-R579 PolarHBondContact N-O 3.2Å; C577-R579 PolarHBondContact O-N 3.02Å; R579-F581 HydrophobicContact CB-CE2 3.83Å; R579-F581 HydrophobicContact CB-CZ 4.01Å; R579-F581 VanDerWaalsContact O-CD2 3.31Å; R579-F581 WeakPolarHBondContact O-CD2 3.29Å; R579-F581 WeakPolarHBondContact O-CE2 3.41Å
580	S	85.6	Confident	83.4	Confident	38 Å²	38	71 Å²	71	27%	0.266	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	151.9	170.7	-66.1	0	0	0	0	112.8	R570 Y572 A573 D578	R570-S580 PolarHBondContact NE-O 3.12Å; R570-S580 PolarHBondContact NH2-O 3.17Å; Y572-S580 CarbonylContact O-C 3.41Å; Y572-S580 WeakPolarHBondContact O-CA 3.44Å; A573-S580 WeakPolarHBondContact CA-OG 3.12Å; D578-S580 PolarHBondContact O-N 2.89Å
581	F	84.4	Confident	83.2	Confident	35 Å²	35	69.1 Å²	69.1	15%	0.154	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.5	-176.5	-62.2	-91.6	0	0	0	113.1	R570 Y572 R579 N586 L587 H590	R570-F581 CarbonylContact C-O 3.23Å; R570-F581 WeakPolarHBondContact CA-O 3.28Å; Y572-F581 WeakPolarHBondContact CB-O 3.41Å; Y572-F581 WeakPolarHBondContact CD2-O 3.39Å; Y572-F581 PolarHBondContact N-O 3.41Å; Y572-F581 VanDerWaalsContact N-O 3.16Å; Y572-F581 PolarHBondContact O-N 3.21Å; R579-F581 HydrophobicContact CB-CE2 3.83Å; R579-F581 HydrophobicContact CB-CZ 4.01Å; R579-F581 VanDerWaalsContact O-CD2 3.31Å; R579-F581 WeakPolarHBondContact O-CD2 3.29Å; R579-F581 WeakPolarHBondContact O-CE2 3.41Å; F581-N586 HydrophobicContact CB-CB 4.39Å; F581-N586 HydrophobicContact CD1-CB 3.78Å; F581-N586 HydrophobicContact CE1-CB 4.5Å; F581-N586 HydrophobicContact CG-CB 4.3Å; F581-L587 HydrophobicContact CB-CB 4.45Å; F581-L587 HydrophobicContact CD2-CB 4.05Å; F581-L587 HydrophobicContact CD2-CD1 4.23Å; F581-L587 HydrophobicContact CE2-CD1 4.45Å; F581-L587 HydrophobicContact CG-CB 4.41Å; F581-H590 HydrophobicContact CE1-CB 4.22Å; F581-H590 HydrophobicContact CE2-CB 3.91Å; F581-H590 AromaticContact CE2-CD2 3.24Å; F581-H590 WeakPolarHBondContact CE2-CD2 3.41Å; F581-H590 AromaticContact CE2-CG 3.73Å; F581-H590 HydrophobicContact CZ-CB 3.54Å; F581-H590 AromaticContact CZ-CD2 3.42Å; F581-H590 VanDerWaalsContact CZ-CD2 3.42Å; F581-H590 WeakPolarHBondContact CZ-CD2 3.48Å; F581-H590 AromaticContact CZ-CG 3.44Å; F581-H590 VanDerWaalsContact CZ-CG 3.44Å
582	S	84.1	Confident	82.8	Confident	28 Å²	28	72.7 Å²	72.7	20%	0.196	38%	0.375	C	S	.	.	S	Bend	trans	-78.7	-17.1	174.6	58	0	0	0	0	113.8	R564 E569 Y572	R564-S582 WeakPolarHBondContact CD-O 3.38Å; R564-S582 PolarHBondContact NH1-O 2.99Å; E569-S582 WeakPolarHBondContact O-CB 3.34Å; Y572-S582 WeakPolarHBondContact CE2-O 3.13Å
583	Q	84.4	Confident	82.3	Confident	78 Å²	78	71.3 Å²	71.3	36%	0.364	38%	0.377	S	S	.	.	S	Bend	trans	-130.6	136.2	-180	-65	-173.3	32.2	0	0	112.6	S561 S585 N586 L587	S561-Q583 WeakPolarHBondContact OG-CG 3.15Å; S561-Q583 PolarHBondContact OG-NE2 3.46Å; Q583-S585 VanDerWaalsContact C-N 3.31Å; Q583-S585 PolarHBondContact O-N 3.14Å; Q583-S585 PolarHBondContact OE1-OG 3.29Å; Q583-N586 HydrophobicContact CB-CB 4.45Å; Q583-N586 PolarHBondContact O-N 3.22Å; Q583-N586 VanDerWaalsContact O-N 3.14Å; Q583-L587 PolarHBondContact O-N 2.95Å
584	K	85	Confident	81.5	Confident	127 Å²	127	69.1 Å²	69.1	55%	0.552	36%	0.356	S	S	*	.	H	α-helix	trans	-66.9	-28.6	179.2	-177.7	168.4	-178.1	168.2	0	113.3	Y572 N586 I588	Y572-K584 HydrophobicContact CD1-CB 4.27Å; Y572-K584 HydrophobicContact CD2-CB 4.25Å; Y572-K584 VanDerWaalsContact CD2-N 3.31Å; Y572-K584 HydrophobicContact CE1-CB 4.19Å; Y572-K584 HydrophobicContact CE2-CB 4.14Å; Y572-K584 HydrophobicContact CG-CB 4.32Å; K584-N586 VanDerWaalsContact C-N 3.27Å; K584-N586 PolarHBondContact O-N 2.96Å; K584-I588 HydrophobicContact CG-CD1 3.98Å; K584-I588 HydrophobicContact CG-CG1 4.41Å; K584-I588 VanDerWaalsContact O-CG1 3.29Å; K584-I588 WeakPolarHBondContact O-CG1 3.34Å; K584-I588 PolarHBondContact O-N 2.72Å
585	S	84.4	Confident	80.8	Confident	62 Å²	62	72.7 Å²	72.7	43%	0.434	37%	0.373	S	S	.	.	H	α-helix	trans	-55.8	-45	170.5	40.1	0	0	0	0	111.6	Q583 I588 T589	Q583-S585 VanDerWaalsContact C-N 3.31Å; Q583-S585 PolarHBondContact O-N 3.14Å; Q583-S585 PolarHBondContact OE1-OG 3.29Å; S585-I588 PolarHBondContact O-N 3.08Å; S585-I588 VanDerWaalsContact O-N 3.15Å; S585-T589 PolarHBondContact O-N 3.14Å; S585-T589 PolarHBondContact O-OG1 3.4Å
586	N	85.4	Confident	79.8	Confident	64 Å²	64	75.3 Å²	75.3	34%	0.342	37%	0.37	S	S	.	.	H	α-helix	trans	-72.4	-38.5	-173.5	-58	21.8	0	0	0	110.5	F581 Q583 K584 T589 H590	F581-N586 HydrophobicContact CB-CB 4.39Å; F581-N586 HydrophobicContact CD1-CB 3.78Å; F581-N586 HydrophobicContact CE1-CB 4.5Å; F581-N586 HydrophobicContact CG-CB 4.3Å; Q583-N586 HydrophobicContact CB-CB 4.45Å; Q583-N586 PolarHBondContact O-N 3.22Å; Q583-N586 VanDerWaalsContact O-N 3.14Å; K584-N586 VanDerWaalsContact C-N 3.27Å; K584-N586 PolarHBondContact O-N 2.96Å; N586-T589 WeakPolarHBondContact CA-OG1 3.41Å; N586-T589 PolarHBondContact O-N 3.27Å; N586-T589 PolarHBondContact O-OG1 2.94Å; N586-H590 VanDerWaalsContact O-CB 3.27Å; N586-H590 WeakPolarHBondContact O-CB 3.5Å; N586-H590 PolarHBondContact O-N 2.97Å
587	L	86.1	Confident	79.1	Confident	25 Å²	25	81.2 Å²	81.2	13%	0.131	40%	0.402	C	S	.	.	H	α-helix	trans	-59.3	-44.4	167.4	172.6	60.3	0	0	0	111.7	A573 C574 F581 Q583 T589 H590 R591	A573-L587 WeakPolarHBondContact O-CD2 3.37Å; C574-L587 HydrophobicContact CB-CD1 3.82Å; F581-L587 HydrophobicContact CB-CB 4.45Å; F581-L587 HydrophobicContact CD2-CB 4.05Å; F581-L587 HydrophobicContact CD2-CD1 4.23Å; F581-L587 HydrophobicContact CE2-CD1 4.45Å; F581-L587 HydrophobicContact CG-CB 4.41Å; Q583-L587 PolarHBondContact O-N 2.95Å; L587-T589 PolarHBondContact O-N 2.85Å; L587-H590 PolarHBondContact O-N 2.78Å; L587-R591 WeakPolarHBondContact O-CB 3.43Å; L587-R591 PolarHBondContact O-N 2.89Å
588	I	83.4	Confident	78.1	Confident	90 Å²	90	82.8 Å²	82.8	46%	0.462	42%	0.422	S	S	.	.	H	α-helix	trans	-65.4	-37.7	179.2	-69.7	165.5	0	0	0	111.8	K584 S585 K592	K584-I588 HydrophobicContact CG-CD1 3.98Å; K584-I588 HydrophobicContact CG-CG1 4.41Å; K584-I588 VanDerWaalsContact O-CG1 3.29Å; K584-I588 WeakPolarHBondContact O-CG1 3.34Å; K584-I588 PolarHBondContact O-N 2.72Å; S585-I588 PolarHBondContact O-N 3.08Å; S585-I588 VanDerWaalsContact O-N 3.15Å; I588-K592 WeakPolarHBondContact O-CG 3.39Å; I588-K592 PolarHBondContact O-N 3.06Å
589	T	81.3	Confident	77.5	Confident	93 Å²	93	76.4 Å²	76.4	57%	0.571	39%	0.391	S	S	*	.	H	α-helix	trans	-71.6	-34.2	173.7	47.3	0	0	0	0	112.5	S585 N586 L587 K592 S593	S585-T589 PolarHBondContact O-N 3.14Å; S585-T589 PolarHBondContact O-OG1 3.4Å; N586-T589 WeakPolarHBondContact CA-OG1 3.41Å; N586-T589 PolarHBondContact O-N 3.27Å; N586-T589 PolarHBondContact O-OG1 2.94Å; L587-T589 PolarHBondContact O-N 2.85Å; T589-K592 WeakPolarHBondContact O-CB 3.48Å; T589-K592 PolarHBondContact O-N 2.82Å; T589-S593 PolarHBondContact O-N 3.24Å
590	H	82	Confident	77	Confident	14 Å²	14	71.1 Å²	71.1	7%	0.065	37%	0.372	C	S	.	.	H	α-helix	trans	-72	-38.7	175.7	170.5	50.6	0	0	0	112.6	C574 C577 F581 N586 L587 K592 S593 H594	C574-H590 VanDerWaalsContact SG-CD2 3.57Å; C577-H590 PolarHBondContact SG-NE2 3.14Å; F581-H590 HydrophobicContact CE1-CB 4.22Å; F581-H590 HydrophobicContact CE2-CB 3.91Å; F581-H590 AromaticContact CE2-CD2 3.24Å; F581-H590 WeakPolarHBondContact CE2-CD2 3.41Å; F581-H590 AromaticContact CE2-CG 3.73Å; F581-H590 HydrophobicContact CZ-CB 3.54Å; F581-H590 AromaticContact CZ-CD2 3.42Å; F581-H590 VanDerWaalsContact CZ-CD2 3.42Å; F581-H590 WeakPolarHBondContact CZ-CD2 3.48Å; F581-H590 AromaticContact CZ-CG 3.44Å; F581-H590 VanDerWaalsContact CZ-CG 3.44Å; N586-H590 VanDerWaalsContact O-CB 3.27Å; N586-H590 WeakPolarHBondContact O-CB 3.5Å; N586-H590 PolarHBondContact O-N 2.97Å; L587-H590 PolarHBondContact O-N 2.78Å; H590-K592 PolarHBondContact O-N 3.29Å; H590-S593 PolarHBondContact ND1-OG 2.95Å; H590-S593 WeakPolarHBondContact O-CA 3.19Å; H590-S593 WeakPolarHBondContact O-CB 3.39Å; H590-S593 PolarHBondContact O-N 2.71Å; H590-S593 PolarHBondContact O-OG 3.39Å; H590-H594 AromaticContact CE1-NE2 3.33Å; H590-H594 PolarHBondContact CE1-NE2 3.12Å; H590-H594 VanDerWaalsContact CE1-NE2 3.33Å; H590-H594 AromaticContact NE2-NE2 3.64Å
591	R	79.9	Confident	76.3	Confident	110 Å²	110	69.9 Å²	69.9	42%	0.415	36%	0.364	S	S	.	.	H	α-helix	trans	-61.6	-28.1	174.6	-164.6	166.5	-156.9	-118.8	-5.7	112.3	D576 L587 S593 H594	D576-R591 IonicContact OD1-CZ 3.63Å; D576-R591 IonicContact OD1-NE 2.78Å; D576-R591 PolarHBondContact OD1-NE 2.99Å; D576-R591 IonicContact OD1-NH2 3.55Å; D576-R591 PolarHBondContact OD1-NH2 3.2Å; D576-R591 WeakPolarHBondContact OD2-CD 3.44Å; D576-R591 WeakPolarHBondContact OD2-CG 3.07Å; D576-R591 IonicContact OD2-CZ 3.76Å; D576-R591 IonicContact OD2-NE 3.62Å; D576-R591 PolarHBondContact OD2-NE 3.48Å; D576-R591 IonicContact OD2-NH2 3.62Å; L587-R591 WeakPolarHBondContact O-CB 3.43Å; L587-R591 PolarHBondContact O-N 2.89Å; R591-S593 VanDerWaalsContact C-N 3.32Å; R591-H594 WeakPolarHBondContact O-CB 3.39Å; R591-H594 PolarHBondContact O-N 3.2Å
592	K	78.3	Confident	75.8	Confident	144 Å²	144	68.4 Å²	68.4	63%	0.626	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-73.5	-16.3	168.8	-66.9	-179.8	175.6	-162.6	0	114.5	I588 T589 H590 H594 I595	I588-K592 WeakPolarHBondContact O-CG 3.39Å; I588-K592 PolarHBondContact O-N 3.06Å; T589-K592 WeakPolarHBondContact O-CB 3.48Å; T589-K592 PolarHBondContact O-N 2.82Å; H590-K592 PolarHBondContact O-N 3.29Å; K592-H594 VanDerWaalsContact C-N 3.27Å; K592-I595 CarbonylContact O-C 3.36Å; K592-I595 VanDerWaalsContact O-C 3.23Å; K592-I595 PolarHBondContact O-N 3.33Å; K592-I595 VanDerWaalsContact O-N 3.17Å
593	S	74.3	Confident	75	Confident	46 Å²	46	68.4 Å²	68.4	32%	0.322	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-77.6	-13.1	169.2	65.5	0	0	0	0	113.3	T589 H590 R591 I595	T589-S593 PolarHBondContact O-N 3.24Å; H590-S593 PolarHBondContact ND1-OG 2.95Å; H590-S593 WeakPolarHBondContact O-CA 3.19Å; H590-S593 WeakPolarHBondContact O-CB 3.39Å; H590-S593 PolarHBondContact O-N 2.71Å; H590-S593 PolarHBondContact O-OG 3.39Å; R591-S593 VanDerWaalsContact C-N 3.32Å; S593-I595 VanDerWaalsContact C-N 3.3Å
594	H	69.9	Low	74.3	Confident	13 Å²	13	69.9 Å²	69.9	6%	0.06	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-83.8	-2.2	163	-52.7	-54.8	0	0	0	112.9	D576 C577 H590 R591 K592 F600 C601 A603	D576-H594 IonicContact OD2-CD2 2.74Å; C577-H594 PolarHBondContact SG-NE2 3.38Å; H590-H594 AromaticContact CE1-NE2 3.33Å; H590-H594 PolarHBondContact CE1-NE2 3.12Å; H590-H594 VanDerWaalsContact CE1-NE2 3.33Å; H590-H594 AromaticContact NE2-NE2 3.64Å; R591-H594 WeakPolarHBondContact O-CB 3.39Å; R591-H594 PolarHBondContact O-N 3.2Å; K592-H594 VanDerWaalsContact C-N 3.27Å; H594-F600 CarbonylContact O-C 3.59Å; H594-F600 VanDerWaalsContact O-CA 3.25Å; H594-F600 WeakPolarHBondContact O-CA 3.5Å; H594-C601 PolarHBondContact CE1-O 3.28Å; H594-C601 PolarHBondContact O-N 3.24Å; H594-A603 WeakPolarHBondContact NE2-CB 3.33Å
595	I	69.6	Low	74	Confident	84 Å²	84	66.7 Å²	66.7	43%	0.431	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	68.7	-177.4	-46.9	173.9	0	0	0	108.1	K592 S593 A599	K592-I595 CarbonylContact O-C 3.36Å; K592-I595 VanDerWaalsContact O-C 3.23Å; K592-I595 PolarHBondContact O-N 3.33Å; K592-I595 VanDerWaalsContact O-N 3.17Å; S593-I595 VanDerWaalsContact C-N 3.3Å; I595-A599 CarbonylContact C-O 3.59Å; I595-A599 VanDerWaalsContact CA-O 3.32Å; I595-A599 WeakPolarHBondContact CA-O 3.48Å
596	R	59.8	Low	73.3	Confident	158 Å²	158	66.2 Å²	66.2	60%	0.596	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.8	-178.8	-177.9	177.4	-65.6	-176.8	2	109.4	G598 A599	R596-G598 PolarHBondContact O-N 3.26Å; R596-A599 PolarHBondContact N-O 3.02Å; R596-A599 PolarHBondContact O-N 3.13Å
597	D	60.7	Low	72.6	Confident	163 Å²	163	68 Å²	68	87%	0.872	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	27.3	173.8	-51.1	-35.5	0	0	0	114.9
598	G	62.4	Low	72	Confident	57 Å²	57	71.6 Å²	71.6	59%	0.588	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	-21.2	-177.1	0	0	0	0	0	113.8	R596	R596-G598 PolarHBondContact O-N 3.26Å
599	A	65.4	Low	71.6	Confident	25 Å²	25	69 Å²	69	21%	0.207	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	141.9	179.5	0	0	0	0	0	112.8	I595 R596 F609	I595-A599 CarbonylContact C-O 3.59Å; I595-A599 VanDerWaalsContact CA-O 3.32Å; I595-A599 WeakPolarHBondContact CA-O 3.48Å; R596-A599 PolarHBondContact N-O 3.02Å; R596-A599 PolarHBondContact O-N 3.13Å; A599-F609 CarbonylContact C-O 3.55Å; A599-F609 WeakPolarHBondContact CA-O 3.06Å; A599-F609 WeakPolarHBondContact CB-O 3.27Å
600	F	69.8	Low	71.3	Confident	39 Å²	39	69 Å²	69	17%	0.171	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.6	175.3	-69.7	-90.6	0	0	0	110.5	H594 T608 F609 D611 E612 L615	H594-F600 CarbonylContact O-C 3.59Å; H594-F600 VanDerWaalsContact O-CA 3.25Å; H594-F600 WeakPolarHBondContact O-CA 3.5Å; F600-T608 CarbonylContact O-C 3.1Å; F600-T608 WeakPolarHBondContact O-CA 3.28Å; F600-F609 HydrophobicContact CB-CB 4.39Å; F600-F609 PolarHBondContact N-O 3.04Å; F600-F609 PolarHBondContact O-N 3.29Å; F600-D611 VanDerWaalsContact CD2-C 3.48Å; F600-E612 HydrophobicContact CD1-CB 3.94Å; F600-E612 HydrophobicContact CD1-CG 4.01Å; F600-E612 HydrophobicContact CD2-CB 4.43Å; F600-E612 HydrophobicContact CE1-CB 3.55Å; F600-E612 HydrophobicContact CE1-CG 3.68Å; F600-E612 HydrophobicContact CE2-CB 4.09Å; F600-E612 HydrophobicContact CG-CB 4.36Å; F600-E612 HydrophobicContact CZ-CB 3.64Å; F600-E612 HydrophobicContact CZ-CG 4.26Å; F600-L615 HydrophobicContact CB-CB 3.92Å; F600-L615 HydrophobicContact CB-CD2 3.8Å; F600-L615 HydrophobicContact CB-CG 4.44Å; F600-L615 HydrophobicContact CD1-CD2 4.41Å
601	C	71.6	Confident	70.8	Confident	13 Å²	13	72.6 Å²	72.6	9%	0.088	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.9	-173.1	-45.6	0	0	0	0	112.6	H594 A603 Q607	H594-C601 PolarHBondContact CE1-O 3.28Å; H594-C601 PolarHBondContact O-N 3.24Å; C601-A603 PolarHBondContact O-N 3.33Å; C601-Q607 CarbonylContact C-O 3.56Å; C601-Q607 WeakPolarHBondContact CA-O 3.43Å
602	C	73.7	Confident	70.6	Confident	3 Å²	3	72.2 Å²	72.2	2%	0.02	40%	0.401	C	S	.	.			trans	-64	124.2	173.6	177.9	0	0	0	0	111.1	I604 C605 G606 Q607 F609 L615 H618	C602-I604 VanDerWaalsContact C-N 3.25Å; C602-I604 PolarHBondContact O-N 2.89Å; C602-C605 PolarHBondContact SG-SG 2.88Å; C602-G606 VanDerWaalsContact O-CA 3.23Å; C602-G606 WeakPolarHBondContact O-CA 3.33Å; C602-G606 PolarHBondContact O-N 3.47Å; C602-Q607 PolarHBondContact N-O 2.99Å; C602-F609 HydrophobicContact CB-CE2 4.01Å; C602-L615 VanDerWaalsContact CA-CD1 3.49Å; C602-L615 HydrophobicContact CB-CD1 3.72Å; C602-H618 VanDerWaalsContact SG-CD2 3.54Å; C602-H618 PolarHBondContact SG-NE2 2.98Å
603	A	67.5	Low	70.6	Confident	28 Å²	28	73.1 Å²	73.1	23%	0.231	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.2	-176.4	0	0	0	0	0	114.3	C577 H594 C601	C577-A603 HydrophobicContact CB-CB 3.47Å; C577-A603 VanDerWaalsContact CB-CB 3.47Å; H594-A603 WeakPolarHBondContact NE2-CB 3.33Å; C601-A603 PolarHBondContact O-N 3.33Å
604	I	70.4	Confident	70.7	Confident	110 Å²	110	77.5 Å²	77.5	56%	0.564	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-52.1	-171.3	-56.5	171.5	0	0	0	110.4	C602 H622	C602-I604 VanDerWaalsContact C-N 3.25Å; C602-I604 PolarHBondContact O-N 2.89Å; I604-H622 HydrophobicContact CD1-CB 3.51Å; I604-H622 HydrophobicContact CG2-CB 4.49Å; I604-H622 WeakPolarHBondContact CG2-ND1 3.49Å
605	C	77	Confident	71.1	Confident	59 Å²	59	77.4 Å²	77.4	40%	0.399	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-8.4	-177.2	70.6	0	0	0	0	115	C602 Q607 H618	C602-C605 PolarHBondContact SG-SG 2.88Å; C605-Q607 VanDerWaalsContact C-N 3.31Å; C605-Q607 PolarHBondContact O-N 3.35Å; C605-Q607 VanDerWaalsContact SG-CG 3.55Å; C605-Q607 PolarHBondContact SG-N 2.79Å; C605-H618 PolarHBondContact SG-NE2 3.36Å
606	G	69.8	Low	71.5	Confident	53 Å²	53	77.6 Å²	77.6	55%	0.546	42%	0.418	S	S	.	.			trans	79.1	-1.3	-179.2	0	0	0	0	0	116.4	C602	C602-G606 VanDerWaalsContact O-CA 3.23Å; C602-G606 WeakPolarHBondContact O-CA 3.33Å; C602-G606 PolarHBondContact O-N 3.47Å
607	Q	72.3	Confident	72.5	Confident	102 Å²	102	72.7 Å²	72.7	48%	0.477	41%	0.411	S	S	.	.			trans	-62.5	144.2	179.5	-70.5	178.9	2.7	0	0	112.6	C601 C602 C605 F609 H618	C601-Q607 CarbonylContact C-O 3.56Å; C601-Q607 WeakPolarHBondContact CA-O 3.43Å; C602-Q607 PolarHBondContact N-O 2.99Å; C605-Q607 VanDerWaalsContact C-N 3.31Å; C605-Q607 PolarHBondContact O-N 3.35Å; C605-Q607 VanDerWaalsContact SG-CG 3.55Å; C605-Q607 PolarHBondContact SG-N 2.79Å; Q607-F609 HydrophobicContact CB-CE2 3.73Å; Q607-F609 HydrophobicContact CB-CZ 3.8Å; Q607-F609 WeakPolarHBondContact O-CE2 3.48Å; Q607-H618 PolarHBondContact OE1-CE1 3.17Å; Q607-H618 PolarHBondContact OE1-ND1 3Å
608	T	72.9	Confident	73.4	Confident	99 Å²	99	66.2 Å²	66.2	61%	0.607	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.5	-180	51	0	0	0	0	111.4	F600	F600-T608 CarbonylContact O-C 3.1Å; F600-T608 WeakPolarHBondContact O-CA 3.28Å
609	F	73.9	Confident	74.1	Confident	35 Å²	35	65 Å²	65	15%	0.154	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	147.7	179.6	-58.9	-84.9	0	0	0	109.9	A599 F600 C602 Q607 R614 L615 H618	A599-F609 CarbonylContact C-O 3.55Å; A599-F609 WeakPolarHBondContact CA-O 3.06Å; A599-F609 WeakPolarHBondContact CB-O 3.27Å; F600-F609 HydrophobicContact CB-CB 4.39Å; F600-F609 PolarHBondContact N-O 3.04Å; F600-F609 PolarHBondContact O-N 3.29Å; C602-F609 HydrophobicContact CB-CE2 4.01Å; Q607-F609 HydrophobicContact CB-CE2 3.73Å; Q607-F609 HydrophobicContact CB-CZ 3.8Å; Q607-F609 WeakPolarHBondContact O-CE2 3.48Å; F609-R614 HydrophobicContact CB-CB 4.3Å; F609-R614 HydrophobicContact CD1-CB 4.11Å; F609-L615 HydrophobicContact CB-CB 4.32Å; F609-L615 HydrophobicContact CD2-CB 4.05Å; F609-L615 HydrophobicContact CD2-CD1 3.92Å; F609-L615 HydrophobicContact CE2-CD1 4.15Å; F609-L615 HydrophobicContact CG-CB 4.3Å; F609-H618 HydrophobicContact CE1-CB 3.95Å; F609-H618 HydrophobicContact CE2-CB 4.14Å; F609-H618 AromaticContact CE2-CD2 3.86Å; F609-H618 AromaticContact CE2-CG 3.86Å; F609-H618 HydrophobicContact CZ-CB 3.61Å; F609-H618 AromaticContact CZ-CD2 3.74Å; F609-H618 AromaticContact CZ-CE1 3.95Å; F609-H618 AromaticContact CZ-CG 3.31Å; F609-H618 AromaticContact CZ-ND1 3.47Å; F609-H618 WeakPolarHBondContact CZ-ND1 3.5Å
610	D	75.7	Confident	74.9	Confident	94 Å²	94	71 Å²	71	50%	0.503	38%	0.376	S	S	.	.	S	Bend	trans	-71.2	-36.9	173.6	41.3	-1.9	0	0	0	112.5	R614	D610-R614 WeakPolarHBondContact OD1-CD 3.49Å; D610-R614 IonicContact OD1-CZ 3.7Å; D610-R614 IonicContact OD1-NE 3.58Å; D610-R614 IonicContact OD1-NH1 2.69Å; D610-R614 PolarHBondContact OD1-NH1 2.79Å; D610-R614 IonicContact OD2-CZ 3.2Å; D610-R614 IonicContact OD2-NH1 3.47Å; D610-R614 PolarHBondContact OD2-NH1 2.83Å
611	D	70.8	Confident	75.4	Confident	90 Å²	90	76.8 Å²	76.8	48%	0.481	40%	0.401	S	S	.	.	S	Bend	trans	-120.9	149.5	-177.2	-76.2	-61.2	0	0	0	115.1	F600 E613 R614 L615	F600-D611 VanDerWaalsContact CD2-C 3.48Å; D611-E613 VanDerWaalsContact C-N 3.32Å; D611-E613 PolarHBondContact O-N 3.29Å; D611-R614 HydrophobicContact CB-CG 4.39Å; D611-R614 PolarHBondContact O-N 2.93Å; D611-L615 PolarHBondContact O-N 3.05Å; D611-L615 VanDerWaalsContact O-N 3.12Å
612	E	76.6	Confident	75.6	Confident	102 Å²	102	79.5 Å²	79.5	48%	0.477	41%	0.413	S	S	.	.	H	α-helix	trans	-61.2	-38.4	178.2	-164.2	165.7	-159.7	0	0	111.8	F600 R614 L615 L616	F600-E612 HydrophobicContact CD1-CB 3.94Å; F600-E612 HydrophobicContact CD1-CG 4.01Å; F600-E612 HydrophobicContact CD2-CB 4.43Å; F600-E612 HydrophobicContact CE1-CB 3.55Å; F600-E612 HydrophobicContact CE1-CG 3.68Å; F600-E612 HydrophobicContact CE2-CB 4.09Å; F600-E612 HydrophobicContact CG-CB 4.36Å; F600-E612 HydrophobicContact CZ-CB 3.64Å; F600-E612 HydrophobicContact CZ-CG 4.26Å; E612-R614 PolarHBondContact O-N 3.01Å; E612-L615 PolarHBondContact O-N 3.15Å; E612-L616 HydrophobicContact CG-CD1 4.27Å; E612-L616 VanDerWaalsContact O-CG 3.3Å; E612-L616 WeakPolarHBondContact O-CG 3.26Å; E612-L616 PolarHBondContact O-N 3.29Å
613	E	78.4	Confident	75.3	Confident	163 Å²	163	86.1 Å²	86.1	76%	0.762	45%	0.448	S	S	*	.	H	α-helix	trans	-66.4	-36.7	178.7	-175.1	166.4	-146.3	0	0	112.3	D611 L616 A617	D611-E613 VanDerWaalsContact C-N 3.32Å; D611-E613 PolarHBondContact O-N 3.29Å; E613-L616 PolarHBondContact O-N 3.15Å; E613-A617 WeakPolarHBondContact O-CB 3.37Å; E613-A617 PolarHBondContact O-N 3.15Å
614	R	76.9	Confident	74.5	Confident	137 Å²	137	93.5 Å²	93.5	52%	0.517	49%	0.49	S	S	.	.	H	α-helix	trans	-69	-39.4	174.7	-70.3	176.4	175.5	-176.3	5.7	111.6	F609 D610 D611 E612 H618	F609-R614 HydrophobicContact CB-CB 4.3Å; F609-R614 HydrophobicContact CD1-CB 4.11Å; D610-R614 WeakPolarHBondContact OD1-CD 3.49Å; D610-R614 IonicContact OD1-CZ 3.7Å; D610-R614 IonicContact OD1-NE 3.58Å; D610-R614 IonicContact OD1-NH1 2.69Å; D610-R614 PolarHBondContact OD1-NH1 2.79Å; D610-R614 IonicContact OD2-CZ 3.2Å; D610-R614 IonicContact OD2-NH1 3.47Å; D610-R614 PolarHBondContact OD2-NH1 2.83Å; D611-R614 HydrophobicContact CB-CG 4.39Å; D611-R614 PolarHBondContact O-N 2.93Å; E612-R614 PolarHBondContact O-N 3.01Å; R614-H618 WeakPolarHBondContact O-CB 3.28Å; R614-H618 PolarHBondContact O-N 2.98Å
615	L	78.2	Confident	74.7	Confident	11 Å²	11	92.7 Å²	92.7	6%	0.058	49%	0.486	C	S	.	.	H	α-helix	trans	-59.5	-48.8	170.2	170	61.3	0	0	0	111	F600 C602 F609 D611 E612 A617 H618 Q619	F600-L615 HydrophobicContact CB-CB 3.92Å; F600-L615 HydrophobicContact CB-CD2 3.8Å; F600-L615 HydrophobicContact CB-CG 4.44Å; F600-L615 HydrophobicContact CD1-CD2 4.41Å; C602-L615 VanDerWaalsContact CA-CD1 3.49Å; C602-L615 HydrophobicContact CB-CD1 3.72Å; F609-L615 HydrophobicContact CB-CB 4.32Å; F609-L615 HydrophobicContact CD2-CB 4.05Å; F609-L615 HydrophobicContact CD2-CD1 3.92Å; F609-L615 HydrophobicContact CE2-CD1 4.15Å; F609-L615 HydrophobicContact CG-CB 4.3Å; D611-L615 PolarHBondContact O-N 3.05Å; D611-L615 VanDerWaalsContact O-N 3.12Å; E612-L615 PolarHBondContact O-N 3.15Å; L615-A617 PolarHBondContact O-N 3.32Å; L615-H618 CarbonylContact O-C 3.45Å; L615-H618 WeakPolarHBondContact O-CB 3.34Å; L615-H618 PolarHBondContact O-N 2.96Å; L615-H618 VanDerWaalsContact O-N 3.11Å; L615-Q619 HydrophobicContact CD1-CG 3.78Å; L615-Q619 HydrophobicContact CG-CG 4.27Å; L615-Q619 WeakPolarHBondContact O-CG 3.23Å; L615-Q619 PolarHBondContact O-N 3.4Å
616	L	78.6	Confident	74.6	Confident	88 Å²	88	94.5 Å²	94.5	46%	0.461	49%	0.491	S	S	.	.	H	α-helix	trans	-64	-39.1	-179	-71.1	166.9	0	0	0	112.4	E612 E613 H618 Q619 K620	E612-L616 HydrophobicContact CG-CD1 4.27Å; E612-L616 VanDerWaalsContact O-CG 3.3Å; E612-L616 WeakPolarHBondContact O-CG 3.26Å; E612-L616 PolarHBondContact O-N 3.29Å; E613-L616 PolarHBondContact O-N 3.15Å; L616-H618 VanDerWaalsContact C-N 3.3Å; L616-H618 PolarHBondContact O-N 3.49Å; L616-Q619 PolarHBondContact O-N 3.35Å; L616-K620 WeakPolarHBondContact O-CG 3.47Å; L616-K620 PolarHBondContact O-N 3Å
617	A	80.6	Confident	74.9	Confident	55 Å²	55	96.8 Å²	96.8	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-67.2	-29.5	173.6	0	0	0	0	0	112.9	E613 L615	E613-A617 WeakPolarHBondContact O-CB 3.37Å; E613-A617 PolarHBondContact O-N 3.15Å; L615-A617 PolarHBondContact O-N 3.32Å
618	H	79.6	Confident	75	Confident	28 Å²	28	96.5 Å²	96.5	13%	0.13	49%	0.488	C	S	.	.	H	α-helix	trans	-76.7	-41.5	172.2	172.6	91.8	0	0	0	112.5	C602 C605 Q607 F609 R614 L615 L616 K620 K621 H622	C602-H618 VanDerWaalsContact SG-CD2 3.54Å; C602-H618 PolarHBondContact SG-NE2 2.98Å; C605-H618 PolarHBondContact SG-NE2 3.36Å; Q607-H618 PolarHBondContact OE1-CE1 3.17Å; Q607-H618 PolarHBondContact OE1-ND1 3Å; F609-H618 HydrophobicContact CE1-CB 3.95Å; F609-H618 HydrophobicContact CE2-CB 4.14Å; F609-H618 AromaticContact CE2-CD2 3.86Å; F609-H618 AromaticContact CE2-CG 3.86Å; F609-H618 HydrophobicContact CZ-CB 3.61Å; F609-H618 AromaticContact CZ-CD2 3.74Å; F609-H618 AromaticContact CZ-CE1 3.95Å; F609-H618 AromaticContact CZ-CG 3.31Å; F609-H618 AromaticContact CZ-ND1 3.47Å; F609-H618 WeakPolarHBondContact CZ-ND1 3.5Å; R614-H618 WeakPolarHBondContact O-CB 3.28Å; R614-H618 PolarHBondContact O-N 2.98Å; L615-H618 CarbonylContact O-C 3.45Å; L615-H618 WeakPolarHBondContact O-CB 3.34Å; L615-H618 PolarHBondContact O-N 2.96Å; L615-H618 VanDerWaalsContact O-N 3.11Å; L616-H618 VanDerWaalsContact C-N 3.3Å; L616-H618 PolarHBondContact O-N 3.49Å; H618-K620 VanDerWaalsContact C-N 3.3Å; H618-K620 PolarHBondContact O-N 3.07Å; H618-K621 WeakPolarHBondContact O-CB 3.38Å; H618-K621 PolarHBondContact O-N 3.28Å; H618-H622 AromaticContact CD2-NE2 3.57Å; H618-H622 AromaticContact CE1-NE2 3.56Å; H618-H622 AromaticContact NE2-CD2 3.86Å; H618-H622 AromaticContact NE2-CE1 3.87Å; H618-H622 AromaticContact NE2-NE2 2.92Å; H618-H622 PolarHBondContact NE2-NE2 3.31Å; H618-H622 PolarHBondContact O-CD2 3.23Å
619	Q	76.6	Confident	75.2	Confident	32 Å²	32	96.3 Å²	96.3	15%	0.15	48%	0.481	C	S	.	.	H	α-helix	trans	-59	-40.9	-180	-77.4	-180	-65.5	0	0	111.9	D576 L615 L616 K621 H622	D576-Q619 PolarHBondContact O-NE2 2.82Å; L615-Q619 HydrophobicContact CD1-CG 3.78Å; L615-Q619 HydrophobicContact CG-CG 4.27Å; L615-Q619 WeakPolarHBondContact O-CG 3.23Å; L615-Q619 PolarHBondContact O-N 3.4Å; L616-Q619 PolarHBondContact O-N 3.35Å; Q619-K621 PolarHBondContact O-N 2.8Å; Q619-H622 PolarHBondContact O-N 3.12Å
620	K	81.6	Confident	75.2	Confident	151 Å²	151	100.4 Å²	100.4	66%	0.657	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-12.3	173.5	-70.8	173.8	-179	178	0	115.2	L616 H618	L616-K620 WeakPolarHBondContact O-CG 3.47Å; L616-K620 PolarHBondContact O-N 3Å; H618-K620 VanDerWaalsContact C-N 3.3Å; H618-K620 PolarHBondContact O-N 3.07Å
621	K	80.3	Confident	75.2	Confident	159 Å²	159	100.9 Å²	100.9	69%	0.691	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-0.9	174.4	-56.1	-173.6	179.4	-173	0	113.5	H618 Q619	H618-K621 WeakPolarHBondContact O-CB 3.38Å; H618-K621 PolarHBondContact O-N 3.28Å; Q619-K621 PolarHBondContact O-N 2.8Å
622	H	76.9	Confident	75.5	Confident	71 Å²	71	101.7 Å²	101.7	33%	0.329	50%	0.504	S	S	.	.	S	Bend	trans	-106.7	-7	171.2	-56.4	-95.8	0	0	0	112.5	I604 H618 Q619 V624	I604-H622 HydrophobicContact CD1-CB 3.51Å; I604-H622 HydrophobicContact CG2-CB 4.49Å; I604-H622 WeakPolarHBondContact CG2-ND1 3.49Å; H618-H622 AromaticContact CD2-NE2 3.57Å; H618-H622 AromaticContact CE1-NE2 3.56Å; H618-H622 AromaticContact NE2-CD2 3.86Å; H618-H622 AromaticContact NE2-CE1 3.87Å; H618-H622 AromaticContact NE2-NE2 2.92Å; H618-H622 PolarHBondContact NE2-NE2 3.31Å; H618-H622 PolarHBondContact O-CD2 3.23Å; Q619-H622 PolarHBondContact O-N 3.12Å; H622-V624 PolarHBondContact O-N 2.81Å
623	D	65.9	Low	75.5	Confident	142 Å²	142	101.7 Å²	101.7	76%	0.759	51%	0.506	S	S	*	.			trans	-89.6	28.1	172.5	-71.5	-58.1	0	0	0	111.9
624	V	51.9	Low	75.2	Confident	183 Å²	183	96.1 Å²	96.1	100%	1.109	48%	0.483	S	S	*	.			trans	-130.7	0	-173.9	-176.1	0	0	0	0	110.4	H622	H622-V624 PolarHBondContact O-N 2.81Å

Retrieved 624 of 624 residues in 159.8 ms (Link to these results)

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