A0A087Y9D1_POEFO Loading...

Long-chain-fatty-acid--CoA ligase ACSBG2

AlphaFold DB , UniProt , Accession A0A087Y9D1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 752 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	27.1	Very low	248 Å²	248	146 Å²	146	100%	1.222	85%	0.847	S	S	*	*				0	139.1	0	-121.6	167.6	177	0	0	107.5
2	Q	24.8	Very low	27.2	Very low	178 Å²	178	144 Å²	144	83%	0.832	85%	0.847	S	S	*	*			trans	-47.7	135.7	-156.4	-80.9	151	-44.8	0	0	121
3	L	27	Very low	27.4	Very low	151 Å²	151	147.6 Å²	147.6	79%	0.791	85%	0.851	S	S	*	*				37.9	127.2	118.5	-77.4	155.9	0	0	0	122
4	T	27	Very low	27.7	Very low	138 Å²	138	146.3 Å²	146.3	85%	0.847	85%	0.85	S	S	*	*				171.3	127.6	123	20.4	0	0	0	0	108.1
5	A	27.3	Very low	27.7	Very low	84 Å²	84	145.3 Å²	145.3	69%	0.694	85%	0.846	S	S	*	*			cis	87.5	126.2	33.4	0	0	0	0	0	116.3
6	C	24.4	Very low	27.6	Very low	119 Å²	119	144.3 Å²	144.3	80%	0.804	84%	0.842	S	S	*	*			trans	99.5	112	155.5	-67.3	0	0	0	0	122
7	E	26.6	Very low	27.7	Very low	183 Å²	183	143.4 Å²	143.4	86%	0.855	84%	0.839	S	S	*	*				3.9	166.8	121.8	-66.7	177	167.6	0	0	119.1
8	S	28.9	Very low	27.8	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	84%	0.838	S	S	*	*			cis	-174.3	155.9	-19.4	63.4	0	0	0	0	104.8
9	S	26.8	Very low	28	Very low	127 Å²	127	143.7 Å²	143.7	89%	0.888	83%	0.834	S	S	*	*			trans	-164.3	148.8	150.2	64.5	0	0	0	0	112.5
10	A	27.1	Very low	28.3	Very low	89 Å²	89	143.1 Å²	143.1	74%	0.736	84%	0.835	S	S	*	*			trans	-108.3	175.4	-165.9	0	0	0	0	0	113.4
11	M	26.4	Very low	28.4	Very low	180 Å²	180	146.6 Å²	146.6	89%	0.887	84%	0.84	S	S	*	*			trans	85.9	117.7	155.5	-63.6	-154.3	-83.4	0	0	119.7
12	S	28.3	Very low	28.4	Very low	122 Å²	122	140 Å²	140	85%	0.853	83%	0.825	S	S	*	*				-172.5	128.9	110.9	16.2	0	0	0	0	111.5
13	E	30	Very low	28.5	Very low	191 Å²	191	134.8 Å²	134.8	89%	0.893	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-71.9	151.7	170	-69.3	176	147	0	0	111.6
14	P	31	Very low	28.5	Very low	129 Å²	129	136.9 Å²	136.9	84%	0.838	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-100.2	138.3	164.4	31.6	-22.7	0	0	0	113.5
15	V	27.8	Very low	28.5	Very low	131 Å²	131	134.8 Å²	134.8	79%	0.794	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-68.2	140.6	-174.5	169.8	0	0	0	0	113.5
16	V	27.1	Very low	28.5	Very low	129 Å²	129	139.1 Å²	139.1	78%	0.782	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-77	133.9	171.7	176.3	0	0	0	0	110.4
17	V	28.3	Very low	28.6	Very low	130 Å²	130	141.9 Å²	141.9	79%	0.788	83%	0.832	S	S	*	*			trans	-120.7	112.7	172.1	-179.4	0	0	0	0	108.9
18	E	30.4	Very low	28.6	Very low	175 Å²	175	138.4 Å²	138.4	82%	0.818	83%	0.828	S	S	*	*			trans	-86.9	146.9	166.2	-75	-173.2	153.2	0	0	111
19	P	31.8	Very low	28.4	Very low	118 Å²	118	139.4 Å²	139.4	77%	0.766	83%	0.834	S	S	*	*			trans	-107.3	160.9	162.3	35.6	-25	0	0	0	113.2
20	P	33.1	Very low	28.3	Very low	131 Å²	131	136.8 Å²	136.8	85%	0.851	83%	0.827	S	S	*	*			trans	-97.2	162	-146.2	36.6	-34.6	0	0	0	115.5
21	K	31.3	Very low	28.2	Very low	216 Å²	216	138 Å²	138	94%	0.939	84%	0.837	S	S	*	*			trans	-98.8	134.7	164.4	-79.5	-176.7	176.1	178	0	111.5
22	A	31	Very low	28.2	Very low	110 Å²	110	133.2 Å²	133.2	91%	0.909	83%	0.833	S	S	*	*			trans	175.2	146.2	147	0	0	0	0	0	106.1
23	G	26.8	Very low	28.1	Very low	69 Å²	69	135 Å²	135	71%	0.711	83%	0.834	S	S	*	*			cis	158.7	139.7	9.8	0	0	0	0	0	107.2
24	E	27.5	Very low	28	Very low	194 Å²	194	131.8 Å²	131.8	91%	0.907	83%	0.832	S	S	*	*			trans	63.8	115.9	151	-66.1	-178.2	161.3	0	0	123.7
25	A	27.1	Very low	27.8	Very low	94 Å²	94	131.3 Å²	131.3	78%	0.777	83%	0.832	S	S	*	*				57.7	117.7	121.2	0	0	0	0	0	121.5
26	I	27.3	Very low	27.8	Very low	176 Å²	176	129.4 Å²	129.4	90%	0.903	83%	0.83	S	S	*	*			trans	-144.7	133.4	136.2	-59.8	-172.4	0	0	0	110.2
27	Q	26.1	Very low	27.8	Very low	176 Å²	176	128 Å²	128	82%	0.822	83%	0.826	S	S	*	*			trans	-81.8	168.9	176.1	-90.3	175.2	-34.2	0	0	114.5
28	S	26.3	Very low	27.8	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	83%	0.827	S	S	*	*			trans	86.7	148.9	150.4	92.7	0	0	0	0	115.8
29	C	24.6	Very low	27.7	Very low	130 Å²	130	126.7 Å²	126.7	88%	0.878	82%	0.819	S	S	*	*			cis	-176.6	160.9	-9.5	-111	0	0	0	0	106.1
30	G	24.9	Very low	27.6	Very low	72 Å²	72	127.9 Å²	127.9	74%	0.742	82%	0.819	S	S	*	*			trans	106.2	97.6	157.9	0	0	0	0	0	113.8
31	A	26.1	Very low	27.3	Very low	116 Å²	116	125.2 Å²	125.2	96%	0.959	82%	0.815	S	S	*	*				72.5	121.3	71.9	0	0	0	0	0	113
32	G	26.3	Very low	27.2	Very low	78 Å²	78	122.6 Å²	122.6	80%	0.804	81%	0.81	S	S	*	*			trans	179.7	76.5	176.3	0	0	0	0	0	110.7
33	D	25.9	Very low	27	Very low	161 Å²	161	121.1 Å²	121.1	86%	0.861	81%	0.805	S	S	*	*			trans	-51.4	147.2	167.5	-73	-47	0	0	0	112.6
34	S	27.9	Very low	27.1	Very low	123 Å²	123	124.8 Å²	124.8	86%	0.86	81%	0.808	S	S	*	*				-172.1	120.8	118.9	34.7	0	0	0	0	111.4
35	S	27	Very low	27.2	Very low	118 Å²	118	122.5 Å²	122.5	83%	0.825	81%	0.808	S	S	*	*			trans	-83.2	146.6	167	43.2	0	0	0	0	111.4
36	A	27.6	Very low	27.3	Very low	91 Å²	91	122.3 Å²	122.3	75%	0.752	81%	0.806	S	S	*	*			trans	177.4	102.5	143.5	0	0	0	0	0	106.1
37	S	26.3	Very low	27.3	Very low	101 Å²	101	121 Å²	121	71%	0.706	80%	0.801	S	S	*	*				63.5	132.6	59.4	81	0	0	0	0	115.6
38	L	27.8	Very low	27.5	Very low	153 Å²	153	121.3 Å²	121.3	80%	0.801	80%	0.803	S	S	*	*			trans	95.1	137.4	161.7	-55.7	170.3	0	0	0	116.2
39	D	29.4	Very low	27.6	Very low	123 Å²	123	120.8 Å²	120.8	66%	0.658	80%	0.799	S	S	*	*			cis	-173.1	160.9	-24.4	-137.7	-13.6	0	0	0	106.8
40	D	30.4	Very low	27.7	Very low	144 Å²	144	118.9 Å²	118.9	77%	0.77	79%	0.787	S	S	*	*			trans	65	136.3	147.5	-72.1	-30.3	0	0	0	124.1
41	G	26.5	Very low	27.9	Very low	74 Å²	74	124 Å²	124	76%	0.763	79%	0.791	S	S	*	*			trans	161.3	51.6	152.5	0	0	0	0	0	120
42	I	28.3	Very low	27.9	Very low	162 Å²	162	127.5 Å²	127.5	83%	0.831	79%	0.788	S	S	*	*			trans	12.6	136.1	145.6	-57.8	169	0	0	0	119.9
43	G	27.6	Very low	28	Very low	78 Å²	78	133 Å²	133	80%	0.804	79%	0.793	S	S	*	*			trans	-174.3	94.7	155.5	0	0	0	0	0	114.6
44	D	29	Very low	28	Very low	146 Å²	146	130.3 Å²	130.3	78%	0.781	79%	0.787	S	S	*	*			trans	-57.6	152.4	172.2	-80.5	-48.1	0	0	0	114.9
45	T	28.7	Very low	27.9	Very low	147 Å²	147	131 Å²	131	90%	0.902	79%	0.786	S	S	*	*				-177.9	136.1	114.2	26.2	0	0	0	0	112.4
46	A	29	Very low	27.8	Very low	90 Å²	90	129.2 Å²	129.2	74%	0.744	79%	0.786	S	S	*	*			trans	-110	155.1	171	0	0	0	0	0	110.5
47	N	27.4	Very low	27.9	Very low	149 Å²	149	133.9 Å²	133.9	80%	0.797	79%	0.792	S	S	*	*			trans	-178.6	120.3	150.8	-102.2	0.8	0	0	0	106.6
48	E	30.6	Very low	27.9	Very low	181 Å²	181	137 Å²	137	85%	0.846	79%	0.793	S	S	*	*				52.2	131.8	76.1	-72.5	-167.2	174.9	0	0	112.7
49	S	27.6	Very low	27.8	Very low	99 Å²	99	136.9 Å²	136.9	69%	0.692	79%	0.788	S	S	*	*			cis	-174	169.6	17.7	53.6	0	0	0	0	111.6
50	S	27.3	Very low	27.7	Very low	90 Å²	90	140 Å²	140	63%	0.629	80%	0.799	S	S	*	*			trans	60.6	117.3	139.6	58.2	0	0	0	0	121.8
51	E	28.6	Very low	27.4	Very low	179 Å²	179	142.2 Å²	142.2	84%	0.836	81%	0.805	S	S	*	*				79.3	122.4	91.3	-70.6	-177.1	163.7	0	0	115.5
52	E	27.1	Very low	27.5	Very low	191 Å²	191	144.8 Å²	144.8	89%	0.893	81%	0.805	S	S	*	*				162.6	148.6	113.6	-90.7	-166.6	163.5	0	0	113.9
53	E	28.4	Very low	27.8	Very low	193 Å²	193	143.2 Å²	143.2	90%	0.902	81%	0.806	S	S	*	*			trans	-67.4	162.4	177.5	-62.1	171.4	124.8	0	0	114.4
54	S	25	Very low	27.8	Very low	105 Å²	105	144.6 Å²	144.6	73%	0.734	81%	0.809	S	S	*	*			trans	-174.9	108.8	131	-179.7	0	0	0	0	111.6
55	T	27	Very low	27.6	Very low	138 Å²	138	141 Å²	141	85%	0.847	81%	0.807	S	S	*	*				17.1	140.7	129.5	51.4	0	0	0	0	121.8
56	G	25.2	Very low	27.5	Very low	79 Å²	79	142.2 Å²	142.2	81%	0.814	81%	0.808	S	S	*	*			trans	177.7	87.5	160.6	0	0	0	0	0	113.3
57	E	27.9	Very low	27.4	Very low	189 Å²	189	142.7 Å²	142.7	88%	0.883	81%	0.812	S	S	*	*			trans	-64.9	155.2	171.2	-63.8	169.5	139.7	0	0	112.7
58	K	26.5	Very low	27.3	Very low	168 Å²	168	140.4 Å²	140.4	73%	0.73	81%	0.814	S	S	*	*				175.6	122.8	118	-96	-176.2	174.2	-144	0	115.3
59	E	26.1	Very low	27.1	Very low	150 Å²	150	136.1 Å²	136.1	70%	0.701	81%	0.809	S	S	*	*				55	107.6	129.7	-64.4	170.7	159.7	0	0	119.1
60	E	26.8	Very low	27	Very low	187 Å²	187	138.7 Å²	138.7	87%	0.874	81%	0.814	S	S	*	*				65.2	116.5	85.7	-95.4	-167	167.3	0	0	115.5
61	E	25.6	Very low	26.9	Very low	191 Å²	191	143.1 Å²	143.1	89%	0.893	83%	0.825	S	S	*	*				-175.8	134.9	112	-104.8	-175.5	167.7	0	0	112.5
62	V	28	Very low	26.7	Very low	128 Å²	128	140.3 Å²	140.3	78%	0.776	83%	0.825	S	S	*	*			trans	-98.2	158.8	167.1	170.9	0	0	0	0	107.7
63	P	34.2	Very low	26.7	Very low	130 Å²	130	136 Å²	136	84%	0.844	82%	0.816	S	S	*	*			trans	-130	145.1	134.2	27.9	-12.6	0	0	0	114
64	A	27.7	Very low	26.5	Very low	106 Å²	106	134.1 Å²	134.1	88%	0.876	81%	0.812	S	S	*	*			trans	-90.8	173.8	-179.3	0	0	0	0	0	113.1
65	G	25	Very low	26.9	Very low	71 Å²	71	135.5 Å²	135.5	73%	0.732	82%	0.817	S	S	*	*			trans	148.6	79.8	161.9	0	0	0	0	0	112.6
66	D	26.8	Very low	26.8	Very low	173 Å²	173	134.7 Å²	134.7	93%	0.925	81%	0.813	S	S	*	*				61.1	118.7	90	-102.1	-9.7	0	0	0	117.2
67	A	26.3	Very low	26.9	Very low	99 Å²	99	139.5 Å²	139.5	82%	0.818	82%	0.815	S	S	*	*				168.1	104.6	119.3	0	0	0	0	0	114.7
68	A	25.6	Very low	26.7	Very low	102 Å²	102	137.4 Å²	137.4	84%	0.843	82%	0.815	S	S	*	*			trans	20.5	150.8	140.6	0	0	0	0	0	127.4
69	A	26.1	Very low	26.6	Very low	90 Å²	90	136.7 Å²	136.7	74%	0.744	82%	0.819	S	S	*	*			trans	95.1	136.8	144.2	0	0	0	0	0	118.5
70	L	26.2	Very low	26.7	Very low	153 Å²	153	133.9 Å²	133.9	80%	0.801	82%	0.821	S	S	*	*			cis	-163.8	143.3	6.8	-117.6	155.7	0	0	0	109.9
71	Q	23.9	Very low	26.6	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	82%	0.822	S	S	*	*			trans	-5.2	136.2	166.3	-67.1	169.8	-9.3	0	0	123.4
72	S	25	Very low	26.8	Very low	120 Å²	120	135.9 Å²	135.9	84%	0.839	82%	0.821	S	S	*	*				-151.9	140.7	128	63.7	0	0	0	0	111.5
73	S	26.8	Very low	27.1	Very low	102 Å²	102	135.9 Å²	135.9	71%	0.713	82%	0.823	S	S	*	*			trans	-56.5	134.8	-179.9	49.4	0	0	0	0	114.8
74	D	25.7	Very low	27.1	Very low	152 Å²	152	136.9 Å²	136.9	81%	0.813	82%	0.821	S	S	*	*				-175.3	139.4	123.9	-91.3	-25.9	0	0	0	111.4
75	T	33.3	Very low	27.6	Very low	135 Å²	135	136.7 Å²	136.7	83%	0.828	81%	0.814	S	S	*	*			trans	-33	129	-176.9	-19	0	0	0	0	116.8
76	P	25.1	Very low	28.4	Very low	120 Å²	120	138.6 Å²	138.6	78%	0.779	81%	0.807	S	S	*	*			trans	-103.8	129.3	167.3	11.8	8	0	0	0	113.4
77	Q	25.6	Very low	29	Very low	181 Å²	181	135.7 Å²	135.7	85%	0.846	80%	0.8	S	S	*	*			trans	-39.5	140.9	160.1	-72.7	161.6	-52.1	0	0	113.2	N79	Q77-N79 PolarHBondContact O-N 2.98Å
78	V	25.1	Very low	29.9	Very low	145 Å²	145	135.7 Å²	135.7	88%	0.879	79%	0.79	S	S	*	*			trans	-63	102.6	167.1	178.6	0	0	0	0	108.5	A80	V78-A80 PolarHBondContact O-N 3.18Å
79	N	23.2	Very low	30.5	Very low	152 Å²	152	134.1 Å²	134.1	81%	0.813	77%	0.771	S	S	*	*			trans	-71.4	105.3	168.6	-102.8	-18.3	0	0	0	108.8	Q77 Q81	Q77-N79 PolarHBondContact O-N 2.98Å; N79-Q81 PolarHBondContact O-N 3.48Å
80	A	28.4	Very low	31.3	Very low	91 Å²	91	135.7 Å²	135.7	75%	0.752	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-70.2	116.6	161.1	0	0	0	0	0	108	V78 R82	V78-A80 PolarHBondContact O-N 3.18Å; A80-R82 PolarHBondContact O-N 3.07Å
81	Q	25.3	Very low	32.4	Very low	193 Å²	193	132.4 Å²	132.4	90%	0.902	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-57	127.3	172.5	-79.1	173.9	-44.5	0	0	109.6	N79	N79-Q81 PolarHBondContact O-N 3.48Å
82	R	29.5	Very low	33.5	Very low	228 Å²	228	129 Å²	129	86%	0.86	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-63.6	141.3	169.7	-83.6	177.5	173.6	171.9	-3.1	109.1	A80 D84	A80-R82 PolarHBondContact O-N 3.07Å; R82-D84 PolarHBondContact O-N 3.34Å
83	P	33.4	Very low	35.4	Very low	127 Å²	127	131.7 Å²	131.7	83%	0.825	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-64	133.4	170.7	-8.8	23.2	0	0	0	109.3	S85	P83-S85 PolarHBondContact O-N 2.97Å
84	D	35.4	Very low	38.1	Very low	151 Å²	151	129.6 Å²	129.6	81%	0.807	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-52.1	121.9	-179	-69.7	-46.5	0	0	0	111.6	R82 L86	R82-D84 PolarHBondContact O-N 3.34Å; D84-L86 PolarHBondContact O-N 2.94Å; D84-L86 VanDerWaalsContact O-N 3.13Å
85	S	38.6	Very low	41.2	Very low	102 Å²	102	130.7 Å²	130.7	71%	0.713	73%	0.732	S	S	*	*			trans	-62.4	111	165.4	54	0	0	0	0	108	P83 S87	P83-S85 PolarHBondContact O-N 2.97Å; S85-S87 PolarHBondContact O-N 3.05Å
86	L	41.9	Very low	44.1	Very low	111 Å²	111	126.5 Å²	126.5	58%	0.581	70%	0.704	S	S	*	*			trans	-55.7	109.2	174.3	-71.3	165.9	0	0	0	109.1	D84 V88	D84-L86 PolarHBondContact O-N 2.94Å; D84-L86 VanDerWaalsContact O-N 3.13Å; L86-V88 PolarHBondContact O-N 3.13Å
87	S	39.5	Very low	47.5	Very low	112 Å²	112	123.2 Å²	123.2	78%	0.783	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-64	119.9	179.3	54.5	0	0	0	0	110.2	S85	S85-S87 PolarHBondContact O-N 3.05Å
88	V	45.3	Very low	50.9	Low	100 Å²	100	115.7 Å²	115.7	61%	0.606	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-62	130.8	171.1	-178.9	0	0	0	0	108.6	L86	L86-V88 PolarHBondContact O-N 3.13Å
89	P	36.8	Very low	54.4	Low	68 Å²	68	109.3 Å²	109.3	44%	0.442	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-63.6	160.6	-178.4	23.3	-31.5	0	0	0	112.7	S91	P89-S91 PolarHBondContact O-N 2.94Å
90	P	42.7	Very low	57.9	Low	123 Å²	123	106.8 Å²	106.8	80%	0.799	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-59	135.3	-174.7	-18.3	30.1	0	0	0	112.7	S92	P90-S92 VanDerWaalsContact C-N 3.31Å; P90-S92 PolarHBondContact O-N 3.37Å
91	S	50.7	Low	61.2	Low	84 Å²	84	103.4 Å²	103.4	59%	0.587	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	21.6	-161.1	64.9	0	0	0	0	119	P89	P89-S91 PolarHBondContact O-N 2.94Å
92	S	46	Very low	64.6	Low	111 Å²	111	98.6 Å²	98.6	78%	0.776	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.6	-171.2	59.7	0	0	0	0	116.3	P90	P90-S92 VanDerWaalsContact C-N 3.31Å; P90-S92 PolarHBondContact O-N 3.37Å
93	E	66.1	Low	67.7	Low	178 Å²	178	88.4 Å²	88.4	83%	0.832	50%	0.502	S	S	*	.	S	Bend	trans	-124	-17.3	-176.3	-65.5	-167.8	168.9	0	0	116.7
94	L	81.6	Confident	70.8	Confident	57 Å²	57	84.4 Å²	84.4	30%	0.298	47%	0.472	S	S	.	.			trans	-79.6	129	-177.5	-68.4	175.9	0	0	0	112.2	E104 K106	L94-E104 HydrophobicContact CD2-CB 3.98Å; L94-K106 HydrophobicContact CB-CB 3.93Å; L94-K106 WeakPolarHBondContact O-CB 3.24Å
95	R	92	Very high	73.6	Confident	175 Å²	175	77.5 Å²	77.5	66%	0.66	44%	0.435	S	S	*	.			trans	-80	158.8	172.6	-64.3	-176.4	-177	-179.2	1.1	111.2	W97 V105 K106	R95-W97 WeakPolarHBondContact CB-O 3.28Å; R95-W97 PolarHBondContact O-N 3.2Å; R95-V105 CarbonylContact O-C 3.42Å; R95-V105 WeakPolarHBondContact O-CA 3.46Å; R95-K106 PolarHBondContact O-N 2.95Å
96	L	94.4	Very high	76.3	Confident	48 Å²	48	76.8 Å²	76.8	25%	0.251	42%	0.419	S	S	.	.	S	Bend	trans	-71.2	-10.9	175.7	-70.4	175.1	0	0	0	113.7	K106 R108	L96-K106 HydrophobicContact CD2-CB 4.18Å; L96-K106 HydrophobicContact CD2-CD 4.38Å; L96-K106 HydrophobicContact CD2-CG 4.25Å; L96-R108 HydrophobicContact CD2-CG 3.89Å
97	W	96.5	Very high	78.7	Confident	51 Å²	51	73 Å²	73	19%	0.193	40%	0.399	C	S	.	.			trans	-149.4	158.1	179.5	62.5	-100	0	0	0	110.9	R95 T99 M547 T556 I560	R95-W97 WeakPolarHBondContact CB-O 3.28Å; R95-W97 PolarHBondContact O-N 3.2Å; W97-T99 HydrophobicContact CE3-CG2 4.46Å; W97-T99 HydrophobicContact CZ3-CG2 4.22Å; W97-M547 CarbonylContact C-O 3.59Å; W97-M547 WeakPolarHBondContact CA-O 3.23Å; W97-M547 WeakPolarHBondContact CB-O 3.45Å; W97-T556 HydrophobicContact CB-CG2 4.18Å; W97-T556 HydrophobicContact CD2-CG2 3.76Å; W97-T556 HydrophobicContact CE3-CG2 3.46Å; W97-T556 VanDerWaalsContact CE3-CG2 3.46Å; W97-T556 HydrophobicContact CG-CG2 4.1Å; W97-T556 HydrophobicContact CZ3-CG2 4.07Å; W97-I560 HydrophobicContact CB-CD1 3.6Å; W97-I560 HydrophobicContact CG-CD1 4.08Å
98	T	97.3	Very high	81.1	Confident	23 Å²	23	68.4 Å²	68.4	14%	0.141	37%	0.365	C	S	.	.			trans	-147.8	160.8	173.3	-175.1	0	0	0	0	109.2	Q100 V105 M309 M547 G548	T98-Q100 PolarHBondContact OG1-N 3.08Å; T98-V105 HydrophobicContact CG2-CG1 3.75Å; T98-M309 HydrophobicContact CG2-CE 4.11Å; T98-M309 WeakPolarHBondContact O-CE 3.32Å; T98-M547 HydrophobicContact CG2-CB 4.36Å; T98-M547 HydrophobicContact CG2-CE 3.81Å; T98-M547 PolarHBondContact N-O 3.44Å; T98-M547 CarbonylContact O-C 3.6Å; T98-G548 WeakPolarHBondContact O-CA 3.45Å
99	T	97.7	Very high	82.8	Confident	11 Å²	11	67.5 Å²	67.5	7%	0.067	36%	0.359	C	S	.	.			trans	-112.8	0.3	169.8	63.6	0	0	0	0	112.7	W97 M309 Y549 D551 P553 T556	W97-T99 HydrophobicContact CE3-CG2 4.46Å; W97-T99 HydrophobicContact CZ3-CG2 4.22Å; T99-M309 VanDerWaalsContact CA-CE 3.45Å; T99-Y549 VanDerWaalsContact CB-O 3.27Å; T99-Y549 WeakPolarHBondContact CB-O 3.47Å; T99-Y549 VanDerWaalsContact CG2-O 3.25Å; T99-Y549 WeakPolarHBondContact CG2-O 3.23Å; T99-D551 PolarHBondContact O-N 2.98Å; T99-P553 HydrophobicContact CG2-CB 4.31Å; T99-T556 HydrophobicContact CG2-CG2 4.31Å; T99-T556 VanDerWaalsContact CG2-OG1 3.32Å; T99-T556 WeakPolarHBondContact CG2-OG1 3.31Å
100	Q	97.9	Very high	84.3	Confident	98 Å²	98	68.8 Å²	68.8	46%	0.458	36%	0.36	S	S	.	.			trans	-86.5	130.3	179.6	-57.2	-57.4	-42.5	0	0	110.1	T98 D102 G103	T98-Q100 PolarHBondContact OG1-N 3.08Å; Q100-D102 VanDerWaalsContact C-N 3.28Å; Q100-D102 PolarHBondContact O-N 3.19Å; Q100-G103 PolarHBondContact O-N 3.34Å; Q100-G103 VanDerWaalsContact O-N 3.07Å
101	R	96.3	Very high	84.8	Confident	21 Å²	21	66.5 Å²	66.5	8%	0.079	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.9	-178.3	60.9	-172.8	67.4	-146.7	-2.5	114.6	F173 L199 N218 S219 K220 L550 D551	R101-F173 HydrophobicContact CB-CB 4.44Å; R101-F173 WeakPolarHBondContact CD-O 3.44Å; R101-F173 HydrophobicContact CG-CB 4.11Å; R101-F173 WeakPolarHBondContact O-CD1 3.25Å; R101-L199 HydrophobicContact CB-CD1 4.2Å; R101-N218 PolarHBondContact NH2-O 2.66Å; R101-S219 PolarHBondContact NH1-O 3.29Å; R101-S219 VanDerWaalsContact NH1-O 3.08Å; R101-K220 VanDerWaalsContact NH1-CG 3.31Å; R101-L550 HydrophobicContact CB-CD1 3.77Å; R101-D551 IonicContact NH2-OD2 3.79Å; R101-D551 PolarHBondContact NH2-OD2 3.32Å
102	D	96.7	Very high	84.5	Confident	91 Å²	91	68.3 Å²	68.3	49%	0.487	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	3.2	178.1	61.3	-21.9	0	0	0	112.2	Q100 F173	Q100-D102 VanDerWaalsContact C-N 3.28Å; Q100-D102 PolarHBondContact O-N 3.19Å; D102-F173 HydrophobicContact CB-CB 4.37Å; D102-F173 HydrophobicContact CB-CD1 4.36Å; D102-F173 HydrophobicContact CB-CD2 3.46Å; D102-F173 VanDerWaalsContact CB-CD2 3.46Å; D102-F173 HydrophobicContact CB-CE2 3.69Å; D102-F173 HydrophobicContact CB-CG 3.82Å; D102-F173 HydrophobicContact CB-CZ 4.23Å
103	G	96.2	Very high	84.8	Confident	14 Å²	14	65.6 Å²	65.6	14%	0.144	36%	0.36	C	S	.	.			trans	-72.2	161.9	179.5	0	0	0	0	0	113.4	Q100 M547	Q100-G103 PolarHBondContact O-N 3.34Å; Q100-G103 VanDerWaalsContact O-N 3.07Å; G103-M547 VanDerWaalsContact O-CE 3.3Å; G103-M547 WeakPolarHBondContact O-CE 3.19Å
104	E	96.8	Very high	84.1	Confident	44 Å²	44	65.2 Å²	65.2	21%	0.206	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-116.6	147.5	175.2	-75.9	176.8	-151.4	0	0	109.8	L94 K288 Q291	L94-E104 HydrophobicContact CD2-CB 3.98Å; E104-K288 WeakPolarHBondContact OE1-CD 3.38Å; E104-K288 WeakPolarHBondContact OE1-CE 3.28Å; E104-K288 IonicContact OE1-NZ 2.66Å; E104-K288 PolarHBondContact OE1-NZ 2.76Å; E104-K288 IonicContact OE2-NZ 3.86Å; E104-K288 PolarHBondContact OE2-NZ 2.95Å; E104-Q291 HydrophobicContact CG-CG 3.57Å; E104-Q291 PolarHBondContact OE1-NE2 2.73Å
105	V	95.8	Very high	83	Confident	6 Å²	6	63.8 Å²	63.8	4%	0.036	36%	0.355	C	S	.	.			trans	-115.8	155.4	174.9	-64	0	0	0	0	112	R95 T98 L107 N290 M547	R95-V105 CarbonylContact O-C 3.42Å; R95-V105 WeakPolarHBondContact O-CA 3.46Å; T98-V105 HydrophobicContact CG2-CG1 3.75Å; V105-L107 HydrophobicContact CG2-CD2 4.45Å; V105-L107 PolarHBondContact O-N 3.38Å; V105-N290 HydrophobicContact CG2-CB 4.4Å; V105-N290 PolarHBondContact N-O 3.04Å; V105-N290 VanDerWaalsContact O-CB 3.26Å; V105-N290 WeakPolarHBondContact O-CB 3.5Å; V105-N290 PolarHBondContact O-ND2 2.86Å; V105-N290 VanDerWaalsContact O-ND2 3.08Å; V105-M547 HydrophobicContact CG1-CB 3.94Å; V105-M547 HydrophobicContact CG1-CE 3.91Å; V105-M547 HydrophobicContact CG1-CG 4.02Å; V105-M547 HydrophobicContact CG2-CE 4.3Å; V105-M547 HydrophobicContact CG2-CG 3.98Å
106	K	94.5	Very high	81.4	Confident	87 Å²	87	58.5 Å²	58.5	38%	0.378	35%	0.349	S	S	.	.			trans	-72.8	118.7	165.3	-179.1	174.4	-177.5	172	0	108.6	L94 R95 L96	L94-K106 HydrophobicContact CB-CB 3.93Å; L94-K106 WeakPolarHBondContact O-CB 3.24Å; R95-K106 PolarHBondContact O-N 2.95Å; L96-K106 HydrophobicContact CD2-CB 4.18Å; L96-K106 HydrophobicContact CD2-CD 4.38Å; L96-K106 HydrophobicContact CD2-CG 4.25Å
107	L	91.9	Very high	80.7	Confident	30 Å²	30	61.8 Å²	61.8	16%	0.157	37%	0.367	C	S	.	.			trans	-70	140.9	176.3	-60.9	-179.6	0	0	0	110.7	V105 V109 A118 P289 N290 D313	V105-L107 HydrophobicContact CG2-CD2 4.45Å; V105-L107 PolarHBondContact O-N 3.38Å; L107-V109 HydrophobicContact CB-CG2 3.71Å; L107-V109 PolarHBondContact O-N 3.08Å; L107-A118 HydrophobicContact CD1-CB 3.48Å; L107-A118 VanDerWaalsContact CD1-CB 3.48Å; L107-P289 HydrophobicContact CD1-CB 4.46Å; L107-N290 HydrophobicContact CD1-CB 4.31Å; L107-N290 HydrophobicContact CD2-CB 3.77Å; L107-N290 HydrophobicContact CG-CB 3.9Å; L107-D313 HydrophobicContact CD1-CB 4.18Å; L107-D313 HydrophobicContact CD2-CB 3.77Å
108	R	89.7	Confident	80.4	Confident	17 Å²	17	60.8 Å²	60.8	6%	0.064	37%	0.369	C	S	.	.			trans	-82.1	56.2	178.1	-66.8	175.4	-177.8	80.1	-4	111	L96 W541 G542 R543 G564	L96-R108 HydrophobicContact CD2-CG 3.89Å; R108-W541 HydrophobicContact CB-CH2 3.85Å; R108-W541 HydrophobicContact CB-CZ2 3.82Å; R108-W541 HydrophobicContact CB-CZ3 4.45Å; R108-W541 HydrophobicContact CG-CZ2 4.11Å; R108-G542 VanDerWaalsContact CD-O 3.28Å; R108-G542 WeakPolarHBondContact CD-O 3.31Å; R108-R543 HydrophobicContact CB-CG 4.46Å; R108-R543 WeakPolarHBondContact O-CG 3.46Å; R108-G564 PolarHBondContact NE-O 3.31Å; R108-G564 PolarHBondContact NH2-O 3.44Å; R108-G564 VanDerWaalsContact NH2-O 3.12Å
109	V	81.4	Confident	80.2	Confident	81 Å²	81	62 Å²	62	49%	0.491	37%	0.374	S	S	.	.			trans	-84.1	115.8	-178.6	-173.2	0	0	0	0	109.3	L107	L107-V109 HydrophobicContact CB-CG2 3.71Å; L107-V109 PolarHBondContact O-N 3.08Å
110	E	68.2	Low	80.3	Confident	95 Å²	95	61.7 Å²	61.7	44%	0.444	37%	0.373	S	S	.	.			trans	-87.5	148	168.3	-54.9	-157.8	146.5	0	0	110.3	S112 K524 W541	E110-S112 PolarHBondContact O-N 2.7Å; E110-S112 VanDerWaalsContact O-N 3.11Å; E110-K524 WeakPolarHBondContact OE1-CE 2.99Å; E110-K524 IonicContact OE1-NZ 3.09Å; E110-K524 PolarHBondContact OE1-NZ 3.3Å; E110-K524 WeakPolarHBondContact OE2-CE 3.48Å; E110-K524 IonicContact OE2-NZ 3.94Å; E110-K524 PolarHBondContact OE2-NZ 3.49Å; E110-W541 HydrophobicContact CG-CH2 3.44Å; E110-W541 VanDerWaalsContact CG-CH2 3.44Å; E110-W541 HydrophobicContact CG-CZ3 3.76Å; E110-W541 WeakPolarHBondContact OE1-CH2 3.47Å; E110-W541 VanDerWaalsContact OE1-CZ3 3.27Å; E110-W541 WeakPolarHBondContact OE1-CZ3 3.37Å
111	G	52.9	Low	80.3	Confident	75 Å²	75	57 Å²	57	77%	0.773	35%	0.351	S	S	*	.	S	Bend	trans	-58.4	113.7	-176.5	0	0	0	0	0	112.6
112	S	45.7	Very low	80.4	Confident	122 Å²	122	56.9 Å²	56.9	85%	0.853	35%	0.352	S	S	*	.	S	Bend	trans	50	111.8	174.6	60.9	0	0	0	0	117.5	E110	E110-S112 PolarHBondContact O-N 2.7Å; E110-S112 VanDerWaalsContact O-N 3.11Å
113	G	51.1	Low	80.5	Confident	53 Å²	53	56 Å²	56	55%	0.546	34%	0.344	S	S	.	.			trans	-167.3	167.2	171	0	0	0	0	0	110.4	A115 A116	G113-A115 PolarHBondContact O-N 3.32Å; G113-A116 PolarHBondContact O-N 3.16Å
114	E	51.7	Low	80.5	Confident	170 Å²	170	55.6 Å²	55.6	79%	0.794	34%	0.339	S	S	*	.	S	Bend	trans	-62	20.4	-160.1	-66.1	-172.3	145.9	0	0	118.7	L324	E114-L324 HydrophobicContact CB-CD1 4.32Å; E114-L324 WeakPolarHBondContact O-CD1 3.45Å
115	A	58.7	Low	80.6	Confident	27 Å²	27	53.5 Å²	53.5	22%	0.223	33%	0.329	C	S	.	.	S	Bend	trans	-146	54.5	165.3	0	0	0	0	0	110.9	G113 D117 R543	G113-A115 PolarHBondContact O-N 3.32Å; A115-D117 PolarHBondContact O-N 3.08Å; A115-R543 PolarHBondContact O-NH1 3.49Å
116	A	58	Low	80.7	Confident	65 Å²	65	54.3 Å²	54.3	54%	0.537	34%	0.336	S	S	.	.			trans	-61.6	-30.3	-164.2	0	0	0	0	0	115.9	G113	G113-A116 PolarHBondContact O-N 3.16Å
117	D	79.9	Confident	80.9	Confident	117 Å²	117	52.6 Å²	52.6	63%	0.626	34%	0.339	S	S	*	.	S	Bend	trans	-93.1	136.5	-173.9	-60.5	-30.7	0	0	0	112.3	A115 L119 R543	A115-D117 PolarHBondContact O-N 3.08Å; D117-L119 HydrophobicContact CB-CD2 4.26Å; D117-R543 PolarHBondContact O-NH2 2.9Å; D117-R543 VanDerWaalsContact O-NH2 3.09Å
118	A	90.4	Very high	81.1	Confident	29 Å²	29	51.4 Å²	51.4	24%	0.24	33%	0.333	C	S	.	.			trans	-81.3	124.8	167.4	0	0	0	0	0	109	L107 P289 D313	L107-A118 HydrophobicContact CD1-CB 3.48Å; L107-A118 VanDerWaalsContact CD1-CB 3.48Å; A118-P289 HydrophobicContact CB-CB 3.7Å; A118-P289 HydrophobicContact CB-CG 3.97Å; A118-P289 WeakPolarHBondContact O-CG 3.3Å; A118-D313 VanDerWaalsContact CA-OD1 3.3Å; A118-D313 WeakPolarHBondContact CA-OD1 3.27Å; A118-D313 WeakPolarHBondContact CB-OD1 3.12Å
119	L	93.9	Very high	81.5	Confident	49 Å²	49	50.9 Å²	50.9	26%	0.257	33%	0.332	S	S	.	.			trans	-120.2	149.2	-172.9	-62.2	176.4	0	0	0	111	D117 Q123 T316	D117-L119 HydrophobicContact CB-CD2 4.26Å; L119-Q123 HydrophobicContact CB-CB 4.5Å; L119-Q123 HydrophobicContact CD2-CB 4.33Å; L119-T316 HydrophobicContact CB-CG2 4.34Å; L119-T316 PolarHBondContact O-OG1 3.18Å
120	T	98.3	Very high	82.3	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.031	34%	0.343	C	S	.	.			trans	-79.5	157.5	162.2	62.5	0	0	0	0	110.2	N122 Q123 M124 Q287 P289	T120-N122 PolarHBondContact O-N 3.04Å; T120-Q123 PolarHBondContact O-N 3.45Å; T120-Q123 VanDerWaalsContact O-N 3.15Å; T120-Q123 VanDerWaalsContact OG1-CG 3.29Å; T120-Q123 WeakPolarHBondContact OG1-CG 3.39Å; T120-Q123 PolarHBondContact OG1-N 3.3Å; T120-Q123 PolarHBondContact OG1-OE1 2.81Å; T120-M124 PolarHBondContact O-N 3.38Å; T120-M124 VanDerWaalsContact O-N 3.1Å; T120-Q287 HydrophobicContact CG2-CB 4.37Å; T120-P289 HydrophobicContact CG2-CG 4.24Å
121	V	98.4	Very high	83.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-56	-40.4	173.1	168.6	0	0	0	0	110.9	M124 F125 I194 H312 I315 T316 W355	V121-M124 PolarHBondContact O-N 3.08Å; V121-F125 WeakPolarHBondContact O-CB 3.47Å; V121-F125 PolarHBondContact O-N 3.21Å; V121-I194 HydrophobicContact CB-CG2 4Å; V121-I194 HydrophobicContact CG1-CG2 4.15Å; V121-I194 HydrophobicContact CG2-CG2 4.4Å; V121-H312 HydrophobicContact CG2-CB 4.36Å; V121-H312 WeakPolarHBondContact CG2-ND1 3.19Å; V121-H312 PolarHBondContact N-ND1 2.85Å; V121-I315 HydrophobicContact CG2-CB 4.48Å; V121-I315 HydrophobicContact CG2-CG2 4.38Å; V121-T316 HydrophobicContact CG2-CG2 4.3Å; V121-W355 HydrophobicContact CG1-CH2 4.06Å; V121-W355 HydrophobicContact CG1-CZ3 3.63Å
122	N	98.4	Very high	85.8	Confident	18 Å²	18	53 Å²	53	10%	0.096	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-44.5	176.9	-175.9	68.9	0	0	0	112.3	T120 M124 F125 A126 Y155 L195 I284	T120-N122 PolarHBondContact O-N 3.04Å; N122-M124 VanDerWaalsContact C-N 3.31Å; N122-M124 PolarHBondContact O-N 3.42Å; N122-F125 PolarHBondContact O-N 2.71Å; N122-A126 VanDerWaalsContact O-CB 3.25Å; N122-A126 WeakPolarHBondContact O-CB 3.43Å; N122-A126 PolarHBondContact O-N 3.45Å; N122-Y155 PolarHBondContact OD1-OH 3.32Å; N122-L195 HydrophobicContact CB-CD2 3.59Å; N122-L195 VanDerWaalsContact OD1-CD2 3.23Å; N122-L195 WeakPolarHBondContact OD1-CD2 3.26Å; N122-I284 HydrophobicContact CB-CG2 3.84Å; N122-I284 VanDerWaalsContact CG-CG2 3.44Å; N122-I284 WeakPolarHBondContact ND2-CG2 3.27Å
123	Q	98.1	Very high	88.2	Confident	71 Å²	71	48.4 Å²	48.4	33%	0.332	28%	0.282	S	S	.	.	H	α-helix	trans	-60.1	-42.5	177.6	-76.3	166.7	-36.9	0	0	111.7	L119 T120 A127	L119-Q123 HydrophobicContact CB-CB 4.5Å; L119-Q123 HydrophobicContact CD2-CB 4.33Å; T120-Q123 PolarHBondContact O-N 3.45Å; T120-Q123 VanDerWaalsContact O-N 3.15Å; T120-Q123 VanDerWaalsContact OG1-CG 3.29Å; T120-Q123 WeakPolarHBondContact OG1-CG 3.39Å; T120-Q123 PolarHBondContact OG1-N 3.3Å; T120-Q123 PolarHBondContact OG1-OE1 2.81Å; Q123-A127 WeakPolarHBondContact O-CB 3.26Å; Q123-A127 PolarHBondContact O-N 3.33Å; Q123-A127 VanDerWaalsContact O-N 3.16Å
124	M	97.8	Very high	90.4	Very high	7 Å²	7	52 Å²	52	3%	0.034	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-44.7	174.9	-177.6	176	73.2	0	0	111.8	T120 V121 N122 A128 T316 A319 W355 M358 K359	T120-M124 PolarHBondContact O-N 3.38Å; T120-M124 VanDerWaalsContact O-N 3.1Å; V121-M124 PolarHBondContact O-N 3.08Å; N122-M124 VanDerWaalsContact C-N 3.31Å; N122-M124 PolarHBondContact O-N 3.42Å; M124-A128 PolarHBondContact O-N 3.23Å; M124-A128 VanDerWaalsContact O-N 3.1Å; M124-T316 HydrophobicContact CB-CG2 3.9Å; M124-T316 HydrophobicContact CE-CG2 4.02Å; M124-T316 HydrophobicContact SD-CG2 3.91Å; M124-A319 HydrophobicContact SD-CB 4.42Å; M124-W355 HydrophobicContact CE-CE3 3.93Å; M124-M358 HydrophobicContact CE-SD 3.78Å; M124-K359 HydrophobicContact CG-CD 4.26Å; M124-K359 HydrophobicContact SD-CB 4.12Å; M124-K359 HydrophobicContact SD-CD 4.12Å
125	F	98.5	Very high	92.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-73.1	-42.4	-176.5	-164.8	-174.7	0	0	0	112.4	V121 N122 A127 A128 A129 Y151 Y154 Y155 C158 I191 M358	V121-F125 WeakPolarHBondContact O-CB 3.47Å; V121-F125 PolarHBondContact O-N 3.21Å; N122-F125 PolarHBondContact O-N 2.71Å; F125-A127 VanDerWaalsContact C-N 3.31Å; F125-A127 PolarHBondContact O-N 2.78Å; F125-A128 CarbonylContact O-C 3.55Å; F125-A128 WeakPolarHBondContact O-CB 3.32Å; F125-A128 PolarHBondContact O-N 2.91Å; F125-A128 VanDerWaalsContact O-N 3.1Å; F125-A129 WeakPolarHBondContact O-CB 3.47Å; F125-A129 PolarHBondContact O-N 3.49Å; F125-Y151 HydrophobicContact CE2-CD1 4.14Å; F125-Y154 HydrophobicContact CE1-CD1 4.4Å; F125-Y154 HydrophobicContact CE1-CE1 4.24Å; F125-Y154 AromaticContact CE2-CD1 3.87Å; F125-Y154 HydrophobicContact CE2-CD1 3.87Å; F125-Y154 HydrophobicContact CE2-CE1 4.15Å; F125-Y154 AromaticContact CZ-CD1 3.38Å; F125-Y154 HydrophobicContact CZ-CD1 3.38Å; F125-Y154 HydrophobicContact CZ-CD2 4.35Å; F125-Y154 AromaticContact CZ-CE1 3.57Å; F125-Y154 HydrophobicContact CZ-CE1 3.57Å; F125-Y154 HydrophobicContact CZ-CE2 4.48Å; F125-Y154 AromaticContact CZ-CG 3.79Å; F125-Y154 HydrophobicContact CZ-CG 3.79Å; F125-Y155 HydrophobicContact CB-CD2 4.42Å; F125-Y155 AromaticContact CD1-CD2 3.66Å; F125-Y155 HydrophobicContact CD1-CD2 3.66Å; F125-Y155 HydrophobicContact CD1-CE2 4.32Å; F125-Y155 HydrophobicContact CD2-CD2 4.19Å; F125-Y155 AromaticContact CE1-CD2 3.85Å; F125-Y155 HydrophobicContact CE1-CD2 3.85Å; F125-Y155 HydrophobicContact CE2-CD2 4.34Å; F125-Y155 AromaticContact CG-CD2 3.83Å; F125-Y155 HydrophobicContact CG-CD2 3.83Å; F125-Y155 HydrophobicContact CG-CE2 4.43Å; F125-Y155 HydrophobicContact CZ-CD2 4.18Å; F125-C158 HydrophobicContact CE1-CB 4.18Å; F125-I191 HydrophobicContact CD1-CD1 3.86Å; F125-I191 HydrophobicContact CD1-CG2 3.76Å; F125-I191 HydrophobicContact CE1-CD1 3.61Å; F125-I191 HydrophobicContact CE1-CG2 3.87Å; F125-I191 HydrophobicContact CZ-CD1 4.39Å; F125-M358 HydrophobicContact CB-CE 4.1Å; F125-M358 HydrophobicContact CB-SD 3.47Å; F125-M358 WeakPolarHBondContact CB-SD 3.38Å; F125-M358 HydrophobicContact CD1-CE 3.8Å; F125-M358 HydrophobicContact CD1-SD 4.29Å; F125-M358 HydrophobicContact CD2-CE 3.79Å; F125-M358 HydrophobicContact CD2-CG 3.94Å; F125-M358 HydrophobicContact CD2-SD 3.67Å; F125-M358 HydrophobicContact CE1-CE 4.15Å; F125-M358 HydrophobicContact CE2-CE 4.16Å; F125-M358 HydrophobicContact CG-CE 3.62Å; F125-M358 HydrophobicContact CG-CG 4.43Å; F125-M358 HydrophobicContact CG-SD 3.55Å; F125-M358 VanDerWaalsContact CG-SD 3.55Å; F125-M358 HydrophobicContact CZ-CE 4.33Å
126	A	98.3	Very high	94.5	Very high	22 Å²	22	48 Å²	48	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-57.9	-45.5	174.5	0	0	0	0	0	110.9	N122 A128 A129 D130 Y155	N122-A126 VanDerWaalsContact O-CB 3.25Å; N122-A126 WeakPolarHBondContact O-CB 3.43Å; N122-A126 PolarHBondContact O-N 3.45Å; A126-A128 VanDerWaalsContact C-N 3.3Å; A126-A128 PolarHBondContact O-N 2.9Å; A126-A129 PolarHBondContact O-N 3.39Å; A126-D130 PolarHBondContact O-N 3.02Å; A126-Y155 HydrophobicContact CB-CE2 4.49Å
127	A	97.1	Very high	96.5	Very high	52 Å²	52	45 Å²	45	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-60.8	-38	175.3	0	0	0	0	0	112.9	Q123 F125 R131	Q123-A127 WeakPolarHBondContact O-CB 3.26Å; Q123-A127 PolarHBondContact O-N 3.33Å; Q123-A127 VanDerWaalsContact O-N 3.16Å; F125-A127 VanDerWaalsContact C-N 3.31Å; F125-A127 PolarHBondContact O-N 2.78Å; A127-R131 WeakPolarHBondContact O-CB 3.5Å; A127-R131 PolarHBondContact O-N 3.03Å
128	A	97.1	Very high	97.4	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-69.7	-40.8	174.5	0	0	0	0	0	112.2	M124 F125 A126 D130 R131 F132 Y151 M358	M124-A128 PolarHBondContact O-N 3.23Å; M124-A128 VanDerWaalsContact O-N 3.1Å; F125-A128 CarbonylContact O-C 3.55Å; F125-A128 WeakPolarHBondContact O-CB 3.32Å; F125-A128 PolarHBondContact O-N 2.91Å; F125-A128 VanDerWaalsContact O-N 3.1Å; A126-A128 VanDerWaalsContact C-N 3.3Å; A126-A128 PolarHBondContact O-N 2.9Å; A128-D130 VanDerWaalsContact C-N 3.29Å; A128-D130 PolarHBondContact O-N 3.19Å; A128-R131 PolarHBondContact O-N 3.44Å; A128-F132 HydrophobicContact CB-CD2 4.06Å; A128-F132 HydrophobicContact CB-CE2 4.44Å; A128-F132 WeakPolarHBondContact O-CA 2.95Å; A128-F132 VanDerWaalsContact O-CB 3.32Å; A128-F132 WeakPolarHBondContact O-CB 3.15Å; A128-F132 WeakPolarHBondContact O-CD2 3.09Å; A128-F132 PolarHBondContact O-N 3.19Å; A128-Y151 HydrophobicContact CB-CD1 4.36Å; A128-Y151 HydrophobicContact CB-CE1 4.36Å; A128-M358 HydrophobicContact CB-CG 3.99Å; A128-M358 WeakPolarHBondContact CB-O 2.99Å
129	A	97.8	Very high	97.7	Very high	7 Å²	7	40.3 Å²	40.3	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-32.9	177	0	0	0	0	0	112.2	F125 A126 S133 Y155	F125-A129 WeakPolarHBondContact O-CB 3.47Å; F125-A129 PolarHBondContact O-N 3.49Å; A126-A129 PolarHBondContact O-N 3.39Å; A129-S133 WeakPolarHBondContact O-CA 3.3Å; A129-S133 VanDerWaalsContact O-CB 3.25Å; A129-S133 WeakPolarHBondContact O-CB 3.44Å; A129-S133 PolarHBondContact O-N 3.29Å; A129-S133 VanDerWaalsContact O-N 3.13Å; A129-Y155 HydrophobicContact CB-CD1 4.14Å; A129-Y155 HydrophobicContact CB-CG 3.94Å
130	D	97.6	Very high	97.8	Very high	135 Å²	135	40.1 Å²	40.1	72%	0.722	21%	0.208	S	C	*	.	H	α-helix	trans	-75.2	-48.9	174.7	-69.3	-20.8	0	0	0	111.6	A126 A128	A126-D130 PolarHBondContact O-N 3.02Å; A128-D130 VanDerWaalsContact C-N 3.29Å; A128-D130 PolarHBondContact O-N 3.19Å
131	R	96.9	Very high	97.5	Very high	157 Å²	157	43.6 Å²	43.6	59%	0.592	22%	0.222	S	C	*	.	H	α-helix	trans	-69.9	-38.2	-177.9	-91	176.9	142.8	-144.4	-3.4	113.8	A127 A128 D330	A127-R131 WeakPolarHBondContact O-CB 3.5Å; A127-R131 PolarHBondContact O-N 3.03Å; A128-R131 PolarHBondContact O-N 3.44Å; R131-D330 IonicContact NH1-OD2 2.89Å; R131-D330 PolarHBondContact NH1-OD2 3.15Å
132	F	97.8	Very high	96.9	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.013	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	20.3	-172.4	-48.4	-62.1	0	0	0	112.4	A128 D134 F135 Y151 D330 L332	A128-F132 HydrophobicContact CB-CD2 4.06Å; A128-F132 HydrophobicContact CB-CE2 4.44Å; A128-F132 WeakPolarHBondContact O-CA 2.95Å; A128-F132 VanDerWaalsContact O-CB 3.32Å; A128-F132 WeakPolarHBondContact O-CB 3.15Å; A128-F132 WeakPolarHBondContact O-CD2 3.09Å; A128-F132 PolarHBondContact O-N 3.19Å; F132-D134 VanDerWaalsContact C-N 3.27Å; F132-D134 PolarHBondContact O-N 3.09Å; F132-F135 HydrophobicContact CB-CB 4.13Å; F132-F135 HydrophobicContact CB-CD1 4.44Å; F132-F135 HydrophobicContact CB-CG 4.27Å; F132-F135 VanDerWaalsContact O-CB 3.29Å; F132-F135 WeakPolarHBondContact O-CB 3.21Å; F132-F135 PolarHBondContact O-N 2.7Å; F132-Y151 HydrophobicContact CB-CD2 3.69Å; F132-Y151 HydrophobicContact CB-CE2 4.14Å; F132-Y151 HydrophobicContact CB-CG 4.09Å; F132-Y151 WeakPolarHBondContact O-CB 3.49Å; F132-D330 VanDerWaalsContact CE1-OD1 3.3Å; F132-D330 WeakPolarHBondContact CE1-OD1 3.32Å; F132-D330 WeakPolarHBondContact CZ-OD2 3.28Å; F132-L332 HydrophobicContact CD1-CD2 4.49Å; F132-L332 HydrophobicContact CD1-CG 4.31Å; F132-L332 HydrophobicContact CE1-CG 3.98Å
133	S	97.2	Very high	96.2	Very high	26 Å²	26	50.7 Å²	50.7	18%	0.182	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-32.4	-55	-173.3	169.5	0	0	0	0	115.1	A129 T150 Y151 K152	A129-S133 WeakPolarHBondContact O-CA 3.3Å; A129-S133 VanDerWaalsContact O-CB 3.25Å; A129-S133 WeakPolarHBondContact O-CB 3.44Å; A129-S133 PolarHBondContact O-N 3.29Å; A129-S133 VanDerWaalsContact O-N 3.13Å; S133-T150 VanDerWaalsContact O-CB 3.27Å; S133-T150 WeakPolarHBondContact O-CB 3.25Å; S133-T150 PolarHBondContact O-OG1 2.82Å; S133-Y151 PolarHBondContact O-N 3.33Å; S133-K152 WeakPolarHBondContact O-CB 3.37Å; S133-K152 PolarHBondContact O-N 3.29Å; S133-K152 WeakPolarHBondContact OG-CD 3.08Å
134	D	97.4	Very high	95.5	Very high	128 Å²	128	56.3 Å²	56.3	68%	0.684	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-3.2	-170.8	-55.7	-25.6	0	0	0	113	F132	F132-D134 VanDerWaalsContact C-N 3.27Å; F132-D134 PolarHBondContact O-N 3.09Å
135	F	98.1	Very high	95.1	Very high	67 Å²	67	62.3 Å²	62.3	29%	0.294	33%	0.327	S	S	.	.	S	Bend	trans	-71.6	140.2	174.9	-74.8	53.5	0	0	0	108.8	F132 A137 T150 Y151 G331 L332	F132-F135 HydrophobicContact CB-CB 4.13Å; F132-F135 HydrophobicContact CB-CD1 4.44Å; F132-F135 HydrophobicContact CB-CG 4.27Å; F132-F135 VanDerWaalsContact O-CB 3.29Å; F132-F135 WeakPolarHBondContact O-CB 3.21Å; F132-F135 PolarHBondContact O-N 2.7Å; F135-A137 PolarHBondContact O-N 3.38Å; F135-T150 CarbonylContact O-C 3.57Å; F135-T150 WeakPolarHBondContact O-CA 3.27Å; F135-T150 WeakPolarHBondContact O-CB 3.34Å; F135-Y151 HydrophobicContact CB-CD2 4.15Å; F135-Y151 PolarHBondContact O-N 3.48Å; F135-G331 VanDerWaalsContact CE2-O 3.25Å; F135-G331 WeakPolarHBondContact CE2-O 3.36Å; F135-L332 HydrophobicContact CE1-CD2 4.15Å; F135-L332 HydrophobicContact CZ-CD2 3.97Å
136	T	98.3	Very high	94.9	Very high	45 Å²	45	68 Å²	68	28%	0.276	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	120.2	173.7	-50	0	0	0	0	109.4	L138 Q335 L363	T136-L138 WeakPolarHBondContact CG2-O 3.42Å; T136-Q335 PolarHBondContact O-NE2 3.48Å; T136-L363 HydrophobicContact CG2-CD1 3.73Å
137	A	98.5	Very high	94.8	Very high	3 Å²	3	70.8 Å²	70.8	3%	0.025	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-47	177.3	0	0	0	0	0	110.9	F135 L149 Y151 Y154 L363 T364	F135-A137 PolarHBondContact O-N 3.38Å; A137-L149 PolarHBondContact N-O 3.09Å; A137-Y151 HydrophobicContact CB-CD1 3.95Å; A137-Y151 HydrophobicContact CB-CD2 3.61Å; A137-Y151 HydrophobicContact CB-CE1 4.01Å; A137-Y151 HydrophobicContact CB-CE2 3.68Å; A137-Y151 HydrophobicContact CB-CG 3.75Å; A137-Y154 HydrophobicContact CB-CD1 4.12Å; A137-L363 WeakPolarHBondContact O-CA 3.34Å; A137-T364 PolarHBondContact O-N 3.37Å
138	L	98.6	Very high	94.8	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.016	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.9	-172.5	-60.7	-172.9	0	0	0	110.5	T136 W140 S148 L149 Y154 A184 F187 F366	T136-L138 WeakPolarHBondContact CG2-O 3.42Å; L138-W140 HydrophobicContact CB-CZ3 4.44Å; L138-S148 CarbonylContact O-C 3.49Å; L138-S148 WeakPolarHBondContact O-CA 3.44Å; L138-S148 VanDerWaalsContact O-CB 3.32Å; L138-S148 WeakPolarHBondContact O-CB 3.49Å; L138-L149 HydrophobicContact CB-CB 4.33Å; L138-L149 HydrophobicContact CD1-CD1 4.34Å; L138-L149 PolarHBondContact N-O 3.41Å; L138-L149 PolarHBondContact O-N 2.86Å; L138-Y154 HydrophobicContact CD1-CD1 4.15Å; L138-Y154 HydrophobicContact CD1-CD2 3.62Å; L138-Y154 HydrophobicContact CD1-CE1 4.19Å; L138-Y154 HydrophobicContact CD1-CE2 3.68Å; L138-Y154 HydrophobicContact CD1-CG 3.89Å; L138-Y154 HydrophobicContact CD2-CE1 4.45Å; L138-Y154 HydrophobicContact CG-CD1 4.19Å; L138-Y154 HydrophobicContact CG-CD2 4.47Å; L138-Y154 HydrophobicContact CG-CE1 4.38Å; L138-Y154 HydrophobicContact CG-CG 4.26Å; L138-A184 HydrophobicContact CD1-CB 4.22Å; L138-F187 HydrophobicContact CD1-CB 4.3Å; L138-F187 HydrophobicContact CD1-CD2 4.14Å; L138-F187 HydrophobicContact CD2-CD2 3.59Å; L138-F187 HydrophobicContact CD2-CE2 3.67Å; L138-F366 HydrophobicContact CB-CE2 4.08Å; L138-F366 HydrophobicContact CD1-CE2 4.36Å; L138-F366 HydrophobicContact CD2-CE2 4.01Å; L138-F366 HydrophobicContact CD2-CZ 4.16Å; L138-F366 HydrophobicContact CG-CE2 4.37Å
139	K	98	Very high	94.9	Very high	45 Å²	45	72 Å²	72	20%	0.196	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	133.4	179	-174.1	166.5	176.2	-179.2	0	112.2	Q146 K147 L363 T364 Y365 F366	K139-Q146 HydrophobicContact CG-CG 4.42Å; K139-Q146 VanDerWaalsContact NZ-CD 3.31Å; K139-K147 WeakPolarHBondContact CA-O 3.39Å; K139-L363 HydrophobicContact CB-CD1 3.8Å; K139-T364 PolarHBondContact N-O 3.14Å; K139-Y365 HydrophobicContact CB-CD2 4.01Å; K139-Y365 HydrophobicContact CB-CE2 4.19Å; K139-Y365 HydrophobicContact CD-CD2 3.81Å; K139-Y365 HydrophobicContact CD-CE2 3.31Å; K139-Y365 HydrophobicContact CG-CD2 3.89Å; K139-Y365 HydrophobicContact CG-CE2 3.54Å; K139-Y365 CarbonylContact O-C 3.58Å; K139-Y365 WeakPolarHBondContact O-CA 3.46Å; K139-F366 WeakPolarHBondContact O-CD2 3.37Å; K139-F366 PolarHBondContact O-N 3.21Å
140	W	95.2	Very high	94.9	Very high	44 Å²	44	73.1 Å²	73.1	17%	0.167	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	173.7	-178.7	68.3	105.1	0	0	0	111.4	L138 K147 L149 A184 F366	L138-W140 HydrophobicContact CB-CZ3 4.44Å; W140-K147 HydrophobicContact CD2-CB 3.81Å; W140-K147 HydrophobicContact CE3-CB 4.29Å; W140-K147 HydrophobicContact CG-CB 4.38Å; W140-K147 HydrophobicContact CH2-CB 3.98Å; W140-K147 HydrophobicContact CZ2-CB 3.47Å; W140-K147 VanDerWaalsContact CZ2-CB 3.47Å; W140-K147 HydrophobicContact CZ2-CD 3.83Å; W140-K147 HydrophobicContact CZ2-CG 4.3Å; W140-K147 HydrophobicContact CZ3-CB 4.36Å; W140-K147 PolarHBondContact N-O 2.94Å; W140-K147 PolarHBondContact O-N 2.64Å; W140-L149 HydrophobicContact CH2-CD1 4.23Å; W140-L149 HydrophobicContact CH2-CG 3.91Å; W140-L149 HydrophobicContact CZ3-CD1 4.33Å; W140-L149 HydrophobicContact CZ3-CG 3.98Å; W140-A184 HydrophobicContact CD2-CB 4.5Å; W140-A184 HydrophobicContact CE3-CB 4.13Å; W140-A184 HydrophobicContact CH2-CB 4.13Å; W140-A184 HydrophobicContact CZ2-CB 4.46Å; W140-A184 HydrophobicContact CZ3-CB 3.95Å; W140-F366 HydrophobicContact CB-CB 3.87Å; W140-F366 HydrophobicContact CB-CD2 3.98Å; W140-F366 HydrophobicContact CB-CG 4.32Å
141	K	91.6	Very high	95	Very high	78 Å²	78	67 Å²	67	34%	0.339	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.3	176.5	-178.4	177.1	-177	175.8	0	109.5	G143 Q145 Q368	K141-G143 WeakPolarHBondContact CE-O 3.4Å; K141-G143 VanDerWaalsContact CG-O 3.27Å; K141-G143 WeakPolarHBondContact CG-O 3.42Å; K141-Q145 CarbonylContact C-O 3.56Å; K141-Q145 WeakPolarHBondContact CA-O 3.44Å; K141-Q368 PolarHBondContact O-NE2 3.18Å
142	E	86.2	Confident	95.1	Very high	102 Å²	102	64.4 Å²	64.4	48%	0.477	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	109.4	174.9	-174	177.8	-133.8	0	0	108.4	E144 Q145 K147	E142-E144 PolarHBondContact O-N 3.27Å; E142-Q145 PolarHBondContact N-O 3.11Å; E142-Q145 PolarHBondContact O-N 2.97Å; E142-K147 HydrophobicContact CB-CD 4.46Å; E142-K147 WeakPolarHBondContact OE2-CD 3.48Å; E142-K147 WeakPolarHBondContact OE2-CE 3.45Å; E142-K147 IonicContact OE2-NZ 3.59Å; E142-K147 PolarHBondContact OE2-NZ 2.81Å
143	G	84.3	Confident	95.1	Very high	66 Å²	66	68.3 Å²	68.3	68%	0.68	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-122.9	-166.6	0	0	0	0	0	110.6	K141	K141-G143 WeakPolarHBondContact CE-O 3.4Å; K141-G143 VanDerWaalsContact CG-O 3.27Å; K141-G143 WeakPolarHBondContact CG-O 3.42Å
144	E	83.6	Confident	95.2	Very high	188 Å²	188	67.4 Å²	67.4	88%	0.879	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-12.1	173.9	-61.5	-170.2	156.7	0	0	113.2	E142	E142-E144 PolarHBondContact O-N 3.27Å
145	Q	89.7	Confident	95.2	Very high	133 Å²	133	63.2 Å²	63.2	62%	0.621	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	142.2	-175.3	-63.9	-175.5	-7.3	0	0	111.4	K141 E142	K141-Q145 CarbonylContact C-O 3.56Å; K141-Q145 WeakPolarHBondContact CA-O 3.44Å; E142-Q145 PolarHBondContact N-O 3.11Å; E142-Q145 PolarHBondContact O-N 2.97Å
146	Q	92.7	Very high	95.3	Very high	119 Å²	119	64.6 Å²	64.6	56%	0.556	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.6	176.5	-161.2	-169.3	-102	0	0	108.5	K139 Y365	K139-Q146 HydrophobicContact CG-CG 4.42Å; K139-Q146 VanDerWaalsContact NZ-CD 3.31Å; Q146-Y365 PolarHBondContact OE1-OH 2.85Å
147	K	96.5	Very high	95.3	Very high	82 Å²	82	64.8 Å²	64.8	36%	0.357	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	156.9	-179.8	-73.1	-172.2	168.5	-178.7	0	110.8	K139 W140 E142	K139-K147 WeakPolarHBondContact CA-O 3.39Å; W140-K147 HydrophobicContact CD2-CB 3.81Å; W140-K147 HydrophobicContact CE3-CB 4.29Å; W140-K147 HydrophobicContact CG-CB 4.38Å; W140-K147 HydrophobicContact CH2-CB 3.98Å; W140-K147 HydrophobicContact CZ2-CB 3.47Å; W140-K147 VanDerWaalsContact CZ2-CB 3.47Å; W140-K147 HydrophobicContact CZ2-CD 3.83Å; W140-K147 HydrophobicContact CZ2-CG 4.3Å; W140-K147 HydrophobicContact CZ3-CB 4.36Å; W140-K147 PolarHBondContact N-O 2.94Å; W140-K147 PolarHBondContact O-N 2.64Å; E142-K147 HydrophobicContact CB-CD 4.46Å; E142-K147 WeakPolarHBondContact OE2-CD 3.48Å; E142-K147 WeakPolarHBondContact OE2-CE 3.45Å; E142-K147 IonicContact OE2-NZ 3.59Å; E142-K147 PolarHBondContact OE2-NZ 2.81Å
148	S	97.9	Very high	95.3	Very high	61 Å²	61	64.6 Å²	64.6	43%	0.427	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	156.6	-179.6	58.1	0	0	0	0	112.6	L138	L138-S148 CarbonylContact O-C 3.49Å; L138-S148 WeakPolarHBondContact O-CA 3.44Å; L138-S148 VanDerWaalsContact O-CB 3.32Å; L138-S148 WeakPolarHBondContact O-CB 3.49Å
149	L	98.6	Very high	95.3	Very high	21 Å²	21	65.6 Å²	65.6	11%	0.11	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.2	168.7	-64	171.1	0	0	0	109.6	A137 L138 W140 Q153 I188	A137-L149 PolarHBondContact N-O 3.09Å; L138-L149 HydrophobicContact CB-CB 4.33Å; L138-L149 HydrophobicContact CD1-CD1 4.34Å; L138-L149 PolarHBondContact N-O 3.41Å; L138-L149 PolarHBondContact O-N 2.86Å; W140-L149 HydrophobicContact CH2-CD1 4.23Å; W140-L149 HydrophobicContact CH2-CG 3.91Å; W140-L149 HydrophobicContact CZ3-CD1 4.33Å; W140-L149 HydrophobicContact CZ3-CG 3.98Å; L149-Q153 HydrophobicContact CB-CB 4.34Å; L149-Q153 HydrophobicContact CD2-CB 4.01Å; L149-I188 HydrophobicContact CD1-CD1 4.17Å
150	T	98.8	Very high	95.3	Very high	30 Å²	30	64.6 Å²	64.6	18%	0.184	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	164.9	165	73.4	0	0	0	0	110.7	S133 F135 K152 Q153 Y154	S133-T150 VanDerWaalsContact O-CB 3.27Å; S133-T150 WeakPolarHBondContact O-CB 3.25Å; S133-T150 PolarHBondContact O-OG1 2.82Å; F135-T150 CarbonylContact O-C 3.57Å; F135-T150 WeakPolarHBondContact O-CA 3.27Å; F135-T150 WeakPolarHBondContact O-CB 3.34Å; T150-K152 VanDerWaalsContact C-N 3.25Å; T150-K152 PolarHBondContact O-N 3.01Å; T150-Q153 PolarHBondContact O-N 3.34Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.36Å; T150-Q153 PolarHBondContact OG1-N 2.86Å; T150-Y154 VanDerWaalsContact O-CB 3.25Å; T150-Y154 WeakPolarHBondContact O-CB 3.21Å; T150-Y154 PolarHBondContact O-N 2.92Å
151	Y	98.6	Very high	95.5	Very high	5 Å²	5	62.5 Å²	62.5	2%	0.02	32%	0.315	C	S	.	.	H	α-helix	trans	-57.2	-39.7	174.7	-88.8	-82.8	0	0	0	112.7	F125 A128 F132 S133 F135 A137 Y154 Y155 S357 M358 G361 G362	F125-Y151 HydrophobicContact CE2-CD1 4.14Å; A128-Y151 HydrophobicContact CB-CD1 4.36Å; A128-Y151 HydrophobicContact CB-CE1 4.36Å; F132-Y151 HydrophobicContact CB-CD2 3.69Å; F132-Y151 HydrophobicContact CB-CE2 4.14Å; F132-Y151 HydrophobicContact CB-CG 4.09Å; F132-Y151 WeakPolarHBondContact O-CB 3.49Å; S133-Y151 PolarHBondContact O-N 3.33Å; F135-Y151 HydrophobicContact CB-CD2 4.15Å; F135-Y151 PolarHBondContact O-N 3.48Å; A137-Y151 HydrophobicContact CB-CD1 3.95Å; A137-Y151 HydrophobicContact CB-CD2 3.61Å; A137-Y151 HydrophobicContact CB-CE1 4.01Å; A137-Y151 HydrophobicContact CB-CE2 3.68Å; A137-Y151 HydrophobicContact CB-CG 3.75Å; Y151-Y154 PolarHBondContact O-N 3.12Å; Y151-Y155 WeakPolarHBondContact O-CB 3.28Å; Y151-Y155 PolarHBondContact O-N 3.24Å; Y151-S357 PolarHBondContact OH-O 3.16Å; Y151-M358 HydrophobicContact CE1-CG 4.27Å; Y151-G361 VanDerWaalsContact OH-CA 3.27Å; Y151-G361 WeakPolarHBondContact OH-CA 3.39Å; Y151-G362 PolarHBondContact OH-N 3.38Å; Y151-G362 VanDerWaalsContact OH-N 3.11Å; Y151-G362 PolarHBondContact OH-O 3.48Å
152	K	98.6	Very high	95.9	Very high	104 Å²	104	58.8 Å²	58.8	45%	0.452	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-48.4	175.7	179.9	175.3	-179.7	175.2	0	112.3	S133 T150 Y155 Q156	S133-K152 WeakPolarHBondContact O-CB 3.37Å; S133-K152 PolarHBondContact O-N 3.29Å; S133-K152 WeakPolarHBondContact OG-CD 3.08Å; T150-K152 VanDerWaalsContact C-N 3.25Å; T150-K152 PolarHBondContact O-N 3.01Å; K152-Y155 PolarHBondContact O-N 3.43Å; K152-Q156 WeakPolarHBondContact O-CB 3.27Å; K152-Q156 VanDerWaalsContact O-CG 3.26Å; K152-Q156 WeakPolarHBondContact O-CG 3.43Å; K152-Q156 PolarHBondContact O-N 3.39Å
153	Q	98.8	Very high	96.5	Very high	85 Å²	85	54.8 Å²	54.8	40%	0.397	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-44	178.1	-69	171.6	-32.5	0	0	111.1	L149 T150 Y155 Q156 D157	L149-Q153 HydrophobicContact CB-CB 4.34Å; L149-Q153 HydrophobicContact CD2-CB 4.01Å; T150-Q153 PolarHBondContact O-N 3.34Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.36Å; T150-Q153 PolarHBondContact OG1-N 2.86Å; Q153-Y155 PolarHBondContact O-N 3.5Å; Q153-Q156 PolarHBondContact O-N 2.71Å; Q153-D157 WeakPolarHBondContact O-CB 3.34Å; Q153-D157 PolarHBondContact O-N 2.89Å
154	Y	98.8	Very high	97.2	Very high	6 Å²	6	51.6 Å²	51.6	2%	0.024	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-44.4	179.1	178.6	-146.4	0	0	0	111.9	F125 A137 L138 T150 Y151 D157 C158 F187 I188 I191	F125-Y154 HydrophobicContact CE1-CD1 4.4Å; F125-Y154 HydrophobicContact CE1-CE1 4.24Å; F125-Y154 AromaticContact CE2-CD1 3.87Å; F125-Y154 HydrophobicContact CE2-CD1 3.87Å; F125-Y154 HydrophobicContact CE2-CE1 4.15Å; F125-Y154 AromaticContact CZ-CD1 3.38Å; F125-Y154 HydrophobicContact CZ-CD1 3.38Å; F125-Y154 HydrophobicContact CZ-CD2 4.35Å; F125-Y154 AromaticContact CZ-CE1 3.57Å; F125-Y154 HydrophobicContact CZ-CE1 3.57Å; F125-Y154 HydrophobicContact CZ-CE2 4.48Å; F125-Y154 AromaticContact CZ-CG 3.79Å; F125-Y154 HydrophobicContact CZ-CG 3.79Å; A137-Y154 HydrophobicContact CB-CD1 4.12Å; L138-Y154 HydrophobicContact CD1-CD1 4.15Å; L138-Y154 HydrophobicContact CD1-CD2 3.62Å; L138-Y154 HydrophobicContact CD1-CE1 4.19Å; L138-Y154 HydrophobicContact CD1-CE2 3.68Å; L138-Y154 HydrophobicContact CD1-CG 3.89Å; L138-Y154 HydrophobicContact CD2-CE1 4.45Å; L138-Y154 HydrophobicContact CG-CD1 4.19Å; L138-Y154 HydrophobicContact CG-CD2 4.47Å; L138-Y154 HydrophobicContact CG-CE1 4.38Å; L138-Y154 HydrophobicContact CG-CG 4.26Å; T150-Y154 VanDerWaalsContact O-CB 3.25Å; T150-Y154 WeakPolarHBondContact O-CB 3.21Å; T150-Y154 PolarHBondContact O-N 2.92Å; Y151-Y154 PolarHBondContact O-N 3.12Å; Y154-D157 PolarHBondContact O-N 3.29Å; Y154-C158 WeakPolarHBondContact CE2-SG 3.17Å; Y154-C158 PolarHBondContact O-N 3.32Å; Y154-C158 PolarHBondContact O-SG 3.13Å; Y154-F187 HydrophobicContact CE1-CD2 4.48Å; Y154-F187 HydrophobicContact CE2-CB 4.02Å; Y154-F187 AromaticContact CZ-CD2 3.94Å; Y154-F187 WeakPolarHBondContact OH-CB 3.47Å; Y154-F187 VanDerWaalsContact OH-CD2 3.29Å; Y154-F187 WeakPolarHBondContact OH-CD2 3.38Å; Y154-I188 HydrophobicContact CD2-CG1 4Å; Y154-I188 HydrophobicContact CE2-CG1 3.9Å; Y154-I191 HydrophobicContact CE1-CD1 4.23Å; Y154-I191 HydrophobicContact CE2-CD1 4.48Å; Y154-I191 WeakPolarHBondContact OH-CD1 3.46Å
155	Y	98.8	Very high	97.9	Very high	40 Å²	40	42.7 Å²	42.7	16%	0.157	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-42.4	175.1	-178.1	-114.8	0	0	0	112.1	N122 F125 A126 A129 Y151 K152 Q153 C158 R159	N122-Y155 PolarHBondContact OD1-OH 3.32Å; F125-Y155 HydrophobicContact CB-CD2 4.42Å; F125-Y155 AromaticContact CD1-CD2 3.66Å; F125-Y155 HydrophobicContact CD1-CD2 3.66Å; F125-Y155 HydrophobicContact CD1-CE2 4.32Å; F125-Y155 HydrophobicContact CD2-CD2 4.19Å; F125-Y155 AromaticContact CE1-CD2 3.85Å; F125-Y155 HydrophobicContact CE1-CD2 3.85Å; F125-Y155 HydrophobicContact CE2-CD2 4.34Å; F125-Y155 AromaticContact CG-CD2 3.83Å; F125-Y155 HydrophobicContact CG-CD2 3.83Å; F125-Y155 HydrophobicContact CG-CE2 4.43Å; F125-Y155 HydrophobicContact CZ-CD2 4.18Å; A126-Y155 HydrophobicContact CB-CE2 4.49Å; A129-Y155 HydrophobicContact CB-CD1 4.14Å; A129-Y155 HydrophobicContact CB-CG 3.94Å; Y151-Y155 WeakPolarHBondContact O-CB 3.28Å; Y151-Y155 PolarHBondContact O-N 3.24Å; K152-Y155 PolarHBondContact O-N 3.43Å; Q153-Y155 PolarHBondContact O-N 3.5Å; Y155-C158 PolarHBondContact O-N 3.46Å; Y155-R159 VanDerWaalsContact CE1-CD 3.45Å; Y155-R159 HydrophobicContact CE1-CG 4.36Å; Y155-R159 HydrophobicContact CE2-CG 4.36Å; Y155-R159 WeakPolarHBondContact O-CG 2.83Å; Y155-R159 PolarHBondContact O-N 3.04Å
156	Q	98.5	Very high	98.3	Very high	97 Å²	97	38.6 Å²	38.6	45%	0.453	19%	0.188	S	C	.	.	H	α-helix	trans	-63.3	-40.9	176.1	-73.3	174.6	-20.7	0	0	112.7	K152 Q153 R159 T160	K152-Q156 WeakPolarHBondContact O-CB 3.27Å; K152-Q156 VanDerWaalsContact O-CG 3.26Å; K152-Q156 WeakPolarHBondContact O-CG 3.43Å; K152-Q156 PolarHBondContact O-N 3.39Å; Q153-Q156 PolarHBondContact O-N 2.71Å; Q156-R159 PolarHBondContact O-N 3.06Å; Q156-T160 WeakPolarHBondContact O-CB 3.4Å; Q156-T160 PolarHBondContact O-N 3.42Å; Q156-T160 PolarHBondContact O-OG1 3.18Å
157	D	98.8	Very high	98.6	Very high	48 Å²	48	38.2 Å²	38.2	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-41.3	176.2	-73.7	-11.4	0	0	0	110.9	Q153 Y154 R159 T160 A161 I188 M269	Q153-D157 WeakPolarHBondContact O-CB 3.34Å; Q153-D157 PolarHBondContact O-N 2.89Å; Y154-D157 PolarHBondContact O-N 3.29Å; D157-R159 PolarHBondContact O-N 2.95Å; D157-T160 PolarHBondContact O-N 3.19Å; D157-A161 WeakPolarHBondContact O-CB 3.34Å; D157-A161 PolarHBondContact O-N 3.18Å; D157-I188 HydrophobicContact CB-CD1 3.86Å; D157-I188 HydrophobicContact CB-CG1 4.09Å; D157-I188 HydrophobicContact CB-CG2 4.33Å; D157-M269 HydrophobicContact CB-CE 4.18Å
158	C	98.9	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-42.2	174.6	-65.4	0	0	0	0	112.3	F125 Y154 Y155 T160 A161 A162 I191 G192 L195	F125-C158 HydrophobicContact CE1-CB 4.18Å; Y154-C158 WeakPolarHBondContact CE2-SG 3.17Å; Y154-C158 PolarHBondContact O-N 3.32Å; Y154-C158 PolarHBondContact O-SG 3.13Å; Y155-C158 PolarHBondContact O-N 3.46Å; C158-T160 VanDerWaalsContact C-N 3.34Å; C158-A161 PolarHBondContact O-N 2.69Å; C158-A162 WeakPolarHBondContact O-CB 3.5Å; C158-A162 PolarHBondContact O-N 2.93Å; C158-I191 HydrophobicContact CB-CB 4.22Å; C158-I191 HydrophobicContact CB-CG2 3.86Å; C158-G192 WeakPolarHBondContact O-CA 3.33Å; C158-L195 HydrophobicContact CB-CD1 3.99Å
159	R	98.8	Very high	98.7	Very high	24 Å²	24	33.7 Å²	33.7	9%	0.091	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-38.2	175	-71.6	-178.2	63.4	86.8	0.9	112.1	Y155 Q156 D157 A162 K163 L195 D277 L280 D281	Y155-R159 VanDerWaalsContact CE1-CD 3.45Å; Y155-R159 HydrophobicContact CE1-CG 4.36Å; Y155-R159 HydrophobicContact CE2-CG 4.36Å; Y155-R159 WeakPolarHBondContact O-CG 2.83Å; Y155-R159 PolarHBondContact O-N 3.04Å; Q156-R159 PolarHBondContact O-N 3.06Å; D157-R159 PolarHBondContact O-N 2.95Å; R159-A162 WeakPolarHBondContact O-CB 3.42Å; R159-A162 PolarHBondContact O-N 3.05Å; R159-K163 WeakPolarHBondContact O-CG 3.44Å; R159-K163 PolarHBondContact O-N 2.81Å; R159-L195 HydrophobicContact CG-CD1 3.99Å; R159-D277 IonicContact NH2-OD2 3.02Å; R159-L280 HydrophobicContact CB-CD2 4.03Å; R159-L280 HydrophobicContact CG-CD2 4.26Å; R159-D281 IonicContact CZ-OD1 3.78Å; R159-D281 VanDerWaalsContact CZ-OD1 3.25Å; R159-D281 IonicContact NH1-OD1 3.81Å; R159-D281 PolarHBondContact NH1-OD1 2.88Å; R159-D281 IonicContact NH2-OD1 3.24Å; R159-D281 PolarHBondContact NH2-OD1 2.86Å; R159-D281 IonicContact NH2-OD2 3.99Å; R159-D281 PolarHBondContact NH2-OD2 2.85Å
160	T	98.9	Very high	98.7	Very high	23 Å²	23	33.1 Å²	33.1	14%	0.141	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-47.8	175.3	-58.6	0	0	0	0	110.8	Q156 D157 C158 A162 K163 S164 M269	Q156-T160 WeakPolarHBondContact O-CB 3.4Å; Q156-T160 PolarHBondContact O-N 3.42Å; Q156-T160 PolarHBondContact O-OG1 3.18Å; D157-T160 PolarHBondContact O-N 3.19Å; C158-T160 VanDerWaalsContact C-N 3.34Å; T160-A162 VanDerWaalsContact C-N 3.3Å; T160-A162 PolarHBondContact O-N 3.29Å; T160-K163 PolarHBondContact O-N 3.22Å; T160-S164 PolarHBondContact O-N 3.5Å; T160-S164 PolarHBondContact O-OG 3.34Å; T160-M269 HydrophobicContact CG2-CE 3.78Å; T160-M269 VanDerWaalsContact CG2-O 3.27Å; T160-M269 WeakPolarHBondContact CG2-O 3.14Å
161	A	98.9	Very high	98.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-40.7	174.8	0	0	0	0	0	112.1	D157 C158 S164 F165 I188 F268 M269	D157-A161 WeakPolarHBondContact O-CB 3.34Å; D157-A161 PolarHBondContact O-N 3.18Å; C158-A161 PolarHBondContact O-N 2.69Å; A161-S164 WeakPolarHBondContact O-CB 3.34Å; A161-S164 PolarHBondContact O-N 3.46Å; A161-F165 HydrophobicContact CB-CE2 4.32Å; A161-F165 WeakPolarHBondContact O-CD2 3.42Å; A161-F165 WeakPolarHBondContact O-CG 3.42Å; A161-F165 PolarHBondContact O-N 3.21Å; A161-I188 HydrophobicContact CB-CG2 3.6Å; A161-F268 HydrophobicContact CB-CE1 3.74Å; A161-F268 HydrophobicContact CB-CZ 3.88Å; A161-F268 WeakPolarHBondContact O-CZ 3.49Å; A161-M269 HydrophobicContact CB-SD 4.08Å
162	A	98.9	Very high	98.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-48	175.2	0	0	0	0	0	112.2	C158 R159 T160 S164 F165 L166 G192 L195 A196 L280	C158-A162 WeakPolarHBondContact O-CB 3.5Å; C158-A162 PolarHBondContact O-N 2.93Å; R159-A162 WeakPolarHBondContact O-CB 3.42Å; R159-A162 PolarHBondContact O-N 3.05Å; T160-A162 VanDerWaalsContact C-N 3.3Å; T160-A162 PolarHBondContact O-N 3.29Å; A162-S164 VanDerWaalsContact C-N 3.32Å; A162-S164 PolarHBondContact O-N 3.03Å; A162-F165 PolarHBondContact O-N 3.32Å; A162-L166 WeakPolarHBondContact O-CG 3.31Å; A162-L166 PolarHBondContact O-N 3.45Å; A162-G192 WeakPolarHBondContact CA-O 3.48Å; A162-G192 VanDerWaalsContact CB-O 3.25Å; A162-G192 WeakPolarHBondContact CB-O 3.32Å; A162-L195 HydrophobicContact CB-CB 3.8Å; A162-A196 HydrophobicContact CB-CB 4.06Å; A162-L280 HydrophobicContact CB-CD1 3.68Å; A162-L280 HydrophobicContact CB-CD2 3.97Å
163	K	98.9	Very high	98.6	Very high	18 Å²	18	36 Å²	36	8%	0.078	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-41.8	175.1	-68.9	-173.6	-65.7	-177.3	0	111.9	R159 T160 F165 L166 K167 G272 D275 D277 L280	R159-K163 WeakPolarHBondContact O-CG 3.44Å; R159-K163 PolarHBondContact O-N 2.81Å; T160-K163 PolarHBondContact O-N 3.22Å; K163-F165 PolarHBondContact O-N 3.33Å; K163-L166 PolarHBondContact O-N 3.42Å; K163-K167 PolarHBondContact O-N 3.01Å; K163-G272 WeakPolarHBondContact CE-O 3.49Å; K163-G272 PolarHBondContact NZ-O 2.84Å; K163-D275 HydrophobicContact CB-CB 4.41Å; K163-D275 HydrophobicContact CD-CB 3.94Å; K163-D275 PolarHBondContact NZ-O 2.92Å; K163-D277 WeakPolarHBondContact CE-OD1 3.44Å; K163-D277 IonicContact NZ-OD1 2.75Å; K163-D277 PolarHBondContact NZ-OD1 3.24Å; K163-L280 HydrophobicContact CG-CB 4.12Å; K163-L280 HydrophobicContact CG-CD2 3.88Å
164	S	98.8	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.5	-41	175.3	-62.6	0	0	0	0	112.8	T160 A161 A162 K167 L168 F268 G272	T160-S164 PolarHBondContact O-N 3.5Å; T160-S164 PolarHBondContact O-OG 3.34Å; A161-S164 WeakPolarHBondContact O-CB 3.34Å; A161-S164 PolarHBondContact O-N 3.46Å; A162-S164 VanDerWaalsContact C-N 3.32Å; A162-S164 PolarHBondContact O-N 3.03Å; S164-K167 PolarHBondContact O-N 3.29Å; S164-L168 WeakPolarHBondContact O-CG 3.44Å; S164-L168 PolarHBondContact O-N 2.92Å; S164-F268 WeakPolarHBondContact CB-O 3.47Å; S164-F268 PolarHBondContact OG-O 2.75Å; S164-G272 WeakPolarHBondContact OG-CA 3.36Å; S164-G272 PolarHBondContact OG-N 2.94Å
165	F	98.8	Very high	98.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-42.1	175.1	-70	-46.6	0	0	0	112	A161 A162 K163 K167 L168 G169 L170 V176 A189 A193 A196 I223 V225 I249 F268	A161-F165 HydrophobicContact CB-CE2 4.32Å; A161-F165 WeakPolarHBondContact O-CD2 3.42Å; A161-F165 WeakPolarHBondContact O-CG 3.42Å; A161-F165 PolarHBondContact O-N 3.21Å; A162-F165 PolarHBondContact O-N 3.32Å; K163-F165 PolarHBondContact O-N 3.33Å; F165-K167 VanDerWaalsContact C-N 3.33Å; F165-K167 PolarHBondContact O-N 2.96Å; F165-L168 CarbonylContact O-C 3.43Å; F165-L168 PolarHBondContact O-N 3.2Å; F165-G169 PolarHBondContact O-N 3.02Å; F165-L170 HydrophobicContact CB-CB 4.01Å; F165-L170 HydrophobicContact CB-CD2 3.72Å; F165-L170 HydrophobicContact CG-CD2 4.29Å; F165-L170 VanDerWaalsContact O-CB 3.28Å; F165-L170 WeakPolarHBondContact O-CB 3.49Å; F165-L170 PolarHBondContact O-N 3.39Å; F165-V176 HydrophobicContact CE1-CG1 3.9Å; F165-V176 HydrophobicContact CE2-CG1 4.46Å; F165-V176 HydrophobicContact CZ-CG1 3.82Å; F165-A189 WeakPolarHBondContact CE2-O 3.35Å; F165-A189 HydrophobicContact CZ-CB 4.16Å; F165-A193 HydrophobicContact CE2-CB 4.35Å; F165-A196 HydrophobicContact CB-CB 4.34Å; F165-I223 HydrophobicContact CB-CD1 4.09Å; F165-I223 HydrophobicContact CD1-CD1 3.58Å; F165-I223 HydrophobicContact CD1-CG2 4.04Å; F165-I223 HydrophobicContact CE1-CD1 4.48Å; F165-I223 HydrophobicContact CE1-CG2 3.92Å; F165-I223 HydrophobicContact CG-CD1 4.27Å; F165-V225 HydrophobicContact CE1-CG2 4.02Å; F165-V225 HydrophobicContact CZ-CG2 4.1Å; F165-I249 HydrophobicContact CE1-CD1 4.46Å; F165-F268 AromaticContact CD1-CE2 3.43Å; F165-F268 HydrophobicContact CD1-CE2 3.43Å; F165-F268 VanDerWaalsContact CD1-CE2 3.43Å; F165-F268 AromaticContact CD1-CZ 3.57Å; F165-F268 HydrophobicContact CD1-CZ 3.57Å; F165-F268 HydrophobicContact CD2-CZ 4.12Å; F165-F268 HydrophobicContact CE1-CE1 4.31Å; F165-F268 AromaticContact CE1-CE2 3.52Å; F165-F268 HydrophobicContact CE1-CE2 3.52Å; F165-F268 AromaticContact CE1-CZ 3.33Å; F165-F268 HydrophobicContact CE1-CZ 3.33Å; F165-F268 AromaticContact CE2-CZ 3.9Å; F165-F268 HydrophobicContact CE2-CZ 3.9Å; F165-F268 HydrophobicContact CG-CE2 4.05Å; F165-F268 AromaticContact CG-CZ 3.96Å; F165-F268 HydrophobicContact CG-CZ 3.96Å; F165-F268 HydrophobicContact CZ-CE1 4.25Å; F165-F268 HydrophobicContact CZ-CE2 4.19Å; F165-F268 AromaticContact CZ-CZ 3.51Å; F165-F268 HydrophobicContact CZ-CZ 3.51Å
166	L	98.6	Very high	98.6	Very high	47 Å²	47	30.9 Å²	30.9	25%	0.246	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-42.7	174.9	-64.8	173.4	0	0	0	111.5	A162 K163 L168 G169 A196 L280 I283	A162-L166 WeakPolarHBondContact O-CG 3.31Å; A162-L166 PolarHBondContact O-N 3.45Å; K163-L166 PolarHBondContact O-N 3.42Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L166-L168 PolarHBondContact O-N 2.78Å; L166-G169 WeakPolarHBondContact O-CA 3.46Å; L166-G169 PolarHBondContact O-N 2.95Å; L166-A196 HydrophobicContact CD2-CB 4.03Å; L166-A196 HydrophobicContact CG-CB 4.08Å; L166-L280 HydrophobicContact CD1-CB 4.42Å; L166-L280 HydrophobicContact CD1-CD1 4.24Å; L166-I283 HydrophobicContact CD1-CD1 3.7Å; L166-I283 HydrophobicContact CD2-CD1 3.48Å; L166-I283 VanDerWaalsContact CD2-CD1 3.48Å; L166-I283 HydrophobicContact CG-CD1 4.25Å
167	K	98.2	Very high	98.6	Very high	112 Å²	112	26.3 Å²	26.3	49%	0.487	13%	0.129	S	C	.	.	H	α-helix	trans	-62.8	-34.9	175.1	-95.4	-166	171.4	161.7	0	114.1	K163 S164 F165 G169 L271 D275	K163-K167 PolarHBondContact O-N 3.01Å; S164-K167 PolarHBondContact O-N 3.29Å; F165-K167 VanDerWaalsContact C-N 3.33Å; F165-K167 PolarHBondContact O-N 2.96Å; K167-G169 PolarHBondContact O-N 2.98Å; K167-L271 HydrophobicContact CD-CB 4.18Å; K167-L271 WeakPolarHBondContact CD-O 3.38Å; K167-L271 PolarHBondContact NZ-O 3.01Å; K167-D275 WeakPolarHBondContact CD-OD2 3.47Å; K167-D275 WeakPolarHBondContact CE-OD1 3.44Å; K167-D275 WeakPolarHBondContact CE-OD2 3.46Å; K167-D275 IonicContact NZ-OD1 3.55Å; K167-D275 PolarHBondContact NZ-OD1 3.39Å; K167-D275 IonicContact NZ-OD2 3.97Å; K167-D275 PolarHBondContact NZ-OD2 2.61Å
168	L	98.4	Very high	98.6	Very high	20 Å²	20	24 Å²	24	11%	0.105	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	3.4	173.8	-67	177.8	0	0	0	112.7	S164 F165 L166 I223 A247 I249 Y263 F268 L271	S164-L168 WeakPolarHBondContact O-CG 3.44Å; S164-L168 PolarHBondContact O-N 2.92Å; F165-L168 CarbonylContact O-C 3.43Å; F165-L168 PolarHBondContact O-N 3.2Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L166-L168 PolarHBondContact O-N 2.78Å; L168-I223 HydrophobicContact CB-CD1 3.72Å; L168-I223 HydrophobicContact CD1-CD1 4.46Å; L168-A247 HydrophobicContact CB-CB 4.14Å; L168-A247 HydrophobicContact CD1-CB 3.86Å; L168-A247 HydrophobicContact CD2-CB 4.18Å; L168-A247 HydrophobicContact CG-CB 4.29Å; L168-I249 HydrophobicContact CD1-CD1 4.05Å; L168-I249 HydrophobicContact CD1-CG1 4.43Å; L168-Y263 HydrophobicContact CD1-CD2 4.42Å; L168-Y263 HydrophobicContact CD2-CD2 4.2Å; L168-Y263 HydrophobicContact CD2-CE1 4.13Å; L168-Y263 HydrophobicContact CD2-CE2 3.54Å; L168-Y263 VanDerWaalsContact CD2-CZ 3.5Å; L168-F268 HydrophobicContact CD1-CD2 3.76Å; L168-F268 HydrophobicContact CD1-CE2 4.09Å; L168-L271 HydrophobicContact CD1-CD1 4.1Å; L168-L271 HydrophobicContact CD2-CD1 3.62Å; L168-L271 HydrophobicContact CG-CD1 3.78Å
169	G	98.2	Very high	98.6	Very high	27 Å²	27	24 Å²	24	28%	0.278	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	26.4	173.3	0	0	0	0	0	114.1	F165 L166 K167 E171 K246	F165-G169 PolarHBondContact O-N 3.02Å; L166-G169 WeakPolarHBondContact O-CA 3.46Å; L166-G169 PolarHBondContact O-N 2.95Å; K167-G169 PolarHBondContact O-N 2.98Å; G169-E171 PolarHBondContact O-N 3.2Å; G169-K246 VanDerWaalsContact O-CD 3.25Å; G169-K246 WeakPolarHBondContact O-CD 3.29Å; G169-K246 WeakPolarHBondContact O-CE 3.23Å; G169-K246 PolarHBondContact O-NZ 3.34Å
170	L	98.8	Very high	98.3	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.052	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-58.4	120.9	170.4	178.9	61.6	0	0	0	110.2	F165 H174 V176 A196 N222 I223	F165-L170 HydrophobicContact CB-CB 4.01Å; F165-L170 HydrophobicContact CB-CD2 3.72Å; F165-L170 HydrophobicContact CG-CD2 4.29Å; F165-L170 VanDerWaalsContact O-CB 3.28Å; F165-L170 WeakPolarHBondContact O-CB 3.49Å; F165-L170 PolarHBondContact O-N 3.39Å; L170-H174 HydrophobicContact CD1-CB 4.3Å; L170-V176 HydrophobicContact CD1-CG2 3.77Å; L170-V176 HydrophobicContact CD2-CG2 3.68Å; L170-V176 HydrophobicContact CG-CG2 4.37Å; L170-A196 HydrophobicContact CD2-CB 3.72Å; L170-N222 HydrophobicContact CD1-CB 4.08Å; L170-I223 HydrophobicContact CB-CD1 3.95Å
171	E	98.4	Very high	97.9	Very high	94 Å²	94	23.5 Å²	23.5	44%	0.439	11%	0.114	S	C	.	.	P	Polyproline II helix	trans	-89.4	155.5	173.8	-70.3	171.3	-145.5	0	0	111.2	G169 F173 H174 N222 K246	G169-E171 PolarHBondContact O-N 3.2Å; E171-F173 PolarHBondContact O-N 3.24Å; E171-H174 HydrophobicContact CB-CB 4.41Å; E171-H174 WeakPolarHBondContact CB-ND1 3.4Å; E171-H174 PolarHBondContact O-N 3.16Å; E171-H174 IonicContact OE2-CE1 3.82Å; E171-H174 PolarHBondContact OE2-CE1 2.98Å; E171-H174 VanDerWaalsContact OE2-CE1 3.29Å; E171-H174 IonicContact OE2-ND1 3.29Å; E171-H174 IonicContact OE2-NE2 2.97Å; E171-N222 PolarHBondContact N-OD1 2.79Å; E171-K246 IonicContact OE1-NZ 3.73Å; E171-K246 PolarHBondContact OE1-NZ 3.32Å
172	R	97.9	Very high	97.7	Very high	73 Å²	73	23.9 Å²	23.9	28%	0.275	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	138.4	173.6	-72	-68.7	-60.4	-124.9	-5.8	110.4	H174 G197 I283 S286	R172-H174 PolarHBondContact O-N 3.02Å; R172-H174 PolarHBondContact O-ND1 2.72Å; R172-H174 VanDerWaalsContact O-ND1 3.13Å; R172-G197 WeakPolarHBondContact CA-O 3.42Å; R172-G197 PolarHBondContact NE-O 3.12Å; R172-I283 PolarHBondContact NH1-O 3.46Å; R172-S286 PolarHBondContact NH1-OG 2.8Å
173	F	98.3	Very high	97.5	Very high	31 Å²	31	24.7 Å²	24.7	14%	0.136	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	15.5	177.3	-48.3	-72.9	0	0	0	115.6	R101 D102 E171 G197 L199 Q291	R101-F173 HydrophobicContact CB-CB 4.44Å; R101-F173 WeakPolarHBondContact CD-O 3.44Å; R101-F173 HydrophobicContact CG-CB 4.11Å; R101-F173 WeakPolarHBondContact O-CD1 3.25Å; D102-F173 HydrophobicContact CB-CB 4.37Å; D102-F173 HydrophobicContact CB-CD1 4.36Å; D102-F173 HydrophobicContact CB-CD2 3.46Å; D102-F173 VanDerWaalsContact CB-CD2 3.46Å; D102-F173 HydrophobicContact CB-CE2 3.69Å; D102-F173 HydrophobicContact CB-CG 3.82Å; D102-F173 HydrophobicContact CB-CZ 4.23Å; E171-F173 PolarHBondContact O-N 3.24Å; F173-G197 PolarHBondContact N-O 2.87Å; F173-L199 WeakPolarHBondContact O-CD1 3.47Å; F173-Q291 HydrophobicContact CE1-CB 4.48Å
174	H	98.6	Very high	97.5	Very high	25 Å²	25	24 Å²	24	12%	0.116	12%	0.12	C	C	.	.			trans	-91.9	151.5	167.9	-75.3	71.5	0	0	0	111	L170 E171 R172 G198 L199 K220 N222	L170-H174 HydrophobicContact CD1-CB 4.3Å; E171-H174 HydrophobicContact CB-CB 4.41Å; E171-H174 WeakPolarHBondContact CB-ND1 3.4Å; E171-H174 PolarHBondContact O-N 3.16Å; E171-H174 IonicContact OE2-CE1 3.82Å; E171-H174 PolarHBondContact OE2-CE1 2.98Å; E171-H174 VanDerWaalsContact OE2-CE1 3.29Å; E171-H174 IonicContact OE2-ND1 3.29Å; E171-H174 IonicContact OE2-NE2 2.97Å; R172-H174 PolarHBondContact O-N 3.02Å; R172-H174 PolarHBondContact O-ND1 2.72Å; R172-H174 VanDerWaalsContact O-ND1 3.13Å; H174-G198 WeakPolarHBondContact O-CA 3.49Å; H174-L199 PolarHBondContact O-N 3.03Å; H174-K220 PolarHBondContact CD2-O 3.09Å; H174-N222 HydrophobicContact CB-CB 4.38Å; H174-N222 VanDerWaalsContact CB-OD1 3.23Å; H174-N222 WeakPolarHBondContact CB-OD1 3.34Å; H174-N222 PolarHBondContact CD2-ND2 2.86Å
175	G	98.7	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	140.8	-176.1	0	0	0	0	0	113.6	S219 K220 A221 N222	G175-S219 PolarHBondContact N-O 2.74Å; G175-K220 PolarHBondContact N-O 3.23Å; G175-A221 CarbonylContact O-C 3.5Å; G175-A221 WeakPolarHBondContact O-CA 3.48Å; G175-N222 PolarHBondContact O-N 3.05Å
176	V	98.9	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	105.1	154.7	-179	0	0	0	0	107.4	F165 L170 I178 A193 L199 V201 I223 V225	F165-V176 HydrophobicContact CE1-CG1 3.9Å; F165-V176 HydrophobicContact CE2-CG1 4.46Å; F165-V176 HydrophobicContact CZ-CG1 3.82Å; L170-V176 HydrophobicContact CD1-CG2 3.77Å; L170-V176 HydrophobicContact CD2-CG2 3.68Å; L170-V176 HydrophobicContact CG-CG2 4.37Å; V176-I178 HydrophobicContact CG1-CG1 4.43Å; V176-A193 HydrophobicContact CB-CB 3.58Å; V176-A193 HydrophobicContact CG1-CB 4.19Å; V176-A193 HydrophobicContact CG2-CB 3.53Å; V176-L199 PolarHBondContact N-O 2.94Å; V176-V201 PolarHBondContact O-N 3.28Å; V176-I223 CarbonylContact C-O 3.41Å; V176-I223 WeakPolarHBondContact CA-O 3.14Å; V176-I223 HydrophobicContact CG1-CB 4.45Å; V176-I223 HydrophobicContact CG1-CG2 4.49Å; V176-I223 HydrophobicContact CG2-CB 4.4Å; V176-V225 HydrophobicContact CG1-CG2 4.04Å
177	G	98.8	Very high	97.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.6	179.4	0	0	0	0	0	111.2	V201 I223 I224 V225	G177-V201 CarbonylContact C-O 3.58Å; G177-V201 WeakPolarHBondContact CA-O 3.29Å; G177-I223 PolarHBondContact N-O 3.35Å; G177-I224 CarbonylContact O-C 3.6Å; G177-I224 VanDerWaalsContact O-CA 3.29Å; G177-I224 WeakPolarHBondContact O-CA 3.3Å; G177-V225 PolarHBondContact O-N 2.78Å
178	I	98.8	Very high	97.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	106.2	-178	-46	172.1	0	0	0	109.4	V176 W186 A189 D190 V201 I203 V225	V176-I178 HydrophobicContact CG1-CG1 4.43Å; I178-W186 HydrophobicContact CB-CZ2 4.38Å; I178-W186 HydrophobicContact CG2-CD2 4.1Å; I178-W186 HydrophobicContact CG2-CG 3.79Å; I178-W186 VanDerWaalsContact CG2-NE1 3.27Å; I178-A189 HydrophobicContact CD1-CB 3.93Å; I178-A189 HydrophobicContact CG1-CB 4.36Å; I178-D190 VanDerWaalsContact CD1-CA 3.46Å; I178-D190 HydrophobicContact CD1-CB 3.74Å; I178-V201 PolarHBondContact N-O 3.04Å; I178-I203 PolarHBondContact O-N 2.87Å; I178-V225 CarbonylContact C-O 3.5Å; I178-V225 WeakPolarHBondContact CA-O 3.26Å; I178-V225 HydrophobicContact CG2-CB 4.36Å; I178-V225 HydrophobicContact CG2-CG1 4.46Å
179	L	97.2	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	92.3	-175.1	177.7	61.6	0	0	0	110.7	I203 Y204 V225 V226 E227 Q231 K234 I235	L179-I203 HydrophobicContact CB-CB 4.15Å; L179-I203 HydrophobicContact CD1-CB 3.99Å; L179-I203 HydrophobicContact CD1-CG2 3.84Å; L179-I203 WeakPolarHBondContact CD1-O 3.38Å; L179-Y204 VanDerWaalsContact CD1-O 3.27Å; L179-Y204 WeakPolarHBondContact CD1-O 3.45Å; L179-V225 PolarHBondContact N-O 2.98Å; L179-V226 HydrophobicContact CB-CG1 4.31Å; L179-V226 HydrophobicContact CD2-CG1 4.44Å; L179-V226 WeakPolarHBondContact O-CA 3.38Å; L179-E227 PolarHBondContact O-N 3.3Å; L179-Q231 HydrophobicContact CD2-CB 3.9Å; L179-Q231 HydrophobicContact CG-CB 3.95Å; L179-Q231 HydrophobicContact CG-CG 4.18Å; L179-K234 HydrophobicContact CD2-CD 4.5Å; L179-I235 HydrophobicContact CD2-CD1 4.01Å; L179-I235 HydrophobicContact CD2-CG1 4.24Å
180	G	93.3	Very high	97.5	Very high	5 Å²	5	16.5 Å²	16.5	5%	0.052	8%	0.077	C	C	.	.	S	Bend	trans	-178	166.2	-177	0	0	0	0	0	114.8	T205 Y251	G180-T205 VanDerWaalsContact CA-CG2 3.48Å; G180-T205 WeakPolarHBondContact O-CG2 3.33Å; G180-Y251 VanDerWaalsContact CA-OH 3.3Å; G180-Y251 WeakPolarHBondContact CA-OH 3.25Å
181	F	90.3	Very high	97.6	Very high	31 Å²	31	16 Å²	16	14%	0.136	8%	0.075	C	C	.	.	S	Bend	trans	-72.7	163.6	171.7	-160	-102.9	0	0	0	111.3	S183 E227 Y251 P369	F181-S183 PolarHBondContact O-N 2.97Å; F181-E227 WeakPolarHBondContact CB-OE2 3.28Å; F181-E227 PolarHBondContact N-OE2 3.49Å; F181-Y251 PolarHBondContact O-OH 2.99Å; F181-P369 HydrophobicContact CD1-CB 4.27Å; F181-P369 HydrophobicContact CD1-CG 4.37Å
182	N	94.1	Very high	97.6	Very high	9 Å²	9	11.5 Å²	11.5	5%	0.048	5%	0.054	C	C	.	.	S	Bend	trans	-59.1	123.6	-176.1	-58.2	22.7	0	0	0	111.4	S340 Y341 L342 L344 F366	N182-S340 PolarHBondContact ND2-OG 2.8Å; N182-Y341 PolarHBondContact ND2-N 2.92Å; N182-L342 PolarHBondContact ND2-O 3.22Å; N182-L342 PolarHBondContact OD1-O 3.3Å; N182-L344 HydrophobicContact CB-CD1 3.72Å; N182-L344 HydrophobicContact CB-CG 4.29Å; N182-F366 HydrophobicContact CB-CD1 4.08Å; N182-F366 HydrophobicContact CB-CE1 4.41Å
183	S	96.6	Very high	97.6	Very high	17 Å²	17	8 Å²	8	12%	0.119	4%	0.041	C	C	.	.			trans	-154.4	170.6	177.4	80.7	0	0	0	0	111.4	F181 E185 W186 F187 Y251 F366	F181-S183 PolarHBondContact O-N 2.97Å; S183-E185 VanDerWaalsContact C-N 3.28Å; S183-E185 WeakPolarHBondContact CB-OE2 3.42Å; S183-E185 PolarHBondContact O-N 3.39Å; S183-E185 PolarHBondContact OG-N 3.13Å; S183-E185 PolarHBondContact OG-OE2 3.12Å; S183-W186 WeakPolarHBondContact O-CB 3.38Å; S183-W186 PolarHBondContact O-N 3.45Å; S183-W186 PolarHBondContact OG-N 3.04Å; S183-F187 WeakPolarHBondContact O-CD1 3.44Å; S183-F187 PolarHBondContact O-N 3.42Å; S183-Y251 VanDerWaalsContact OG-CE2 3.31Å; S183-Y251 WeakPolarHBondContact OG-CE2 3.41Å; S183-F366 VanDerWaalsContact C-CZ 3.43Å; S183-F366 VanDerWaalsContact O-CE1 3.31Å; S183-F366 WeakPolarHBondContact O-CE1 3.23Å; S183-F366 WeakPolarHBondContact O-CZ 3.34Å
184	A	97.9	Very high	97.7	Very high	3 Å²	3	6.6 Å²	6.6	3%	0.025	3%	0.034	C	C	.	.	H	α-helix	trans	-62.9	-38	174.1	0	0	0	0	0	111.2	L138 W140 W186 F187 I188 F366	L138-A184 HydrophobicContact CD1-CB 4.22Å; W140-A184 HydrophobicContact CD2-CB 4.5Å; W140-A184 HydrophobicContact CE3-CB 4.13Å; W140-A184 HydrophobicContact CH2-CB 4.13Å; W140-A184 HydrophobicContact CZ2-CB 4.46Å; W140-A184 HydrophobicContact CZ3-CB 3.95Å; A184-W186 VanDerWaalsContact C-N 3.32Å; A184-W186 PolarHBondContact O-N 2.88Å; A184-F187 WeakPolarHBondContact O-CB 3.25Å; A184-F187 PolarHBondContact O-N 3.12Å; A184-I188 WeakPolarHBondContact O-CB 3.47Å; A184-I188 WeakPolarHBondContact O-CD1 3.15Å; A184-I188 WeakPolarHBondContact O-CG1 3.48Å; A184-I188 PolarHBondContact O-N 3.12Å; A184-F366 HydrophobicContact CB-CE2 4.29Å
185	E	98.5	Very high	97.7	Very high	41 Å²	41	5.4 Å²	5.4	19%	0.192	3%	0.029	C	C	.	.	H	α-helix	trans	-63.9	-37.3	176.9	-56.6	80.7	-173.9	0	0	111.7	S183 I188 A189 Y251 W265	S183-E185 VanDerWaalsContact C-N 3.28Å; S183-E185 WeakPolarHBondContact CB-OE2 3.42Å; S183-E185 PolarHBondContact O-N 3.39Å; S183-E185 PolarHBondContact OG-N 3.13Å; S183-E185 PolarHBondContact OG-OE2 3.12Å; E185-I188 PolarHBondContact O-N 2.8Å; E185-A189 VanDerWaalsContact O-CB 3.25Å; E185-A189 WeakPolarHBondContact O-CB 3.41Å; E185-A189 PolarHBondContact O-N 3.34Å; E185-Y251 HydrophobicContact CB-CD1 4.49Å; E185-Y251 HydrophobicContact CB-CD2 3.74Å; E185-Y251 HydrophobicContact CB-CE2 4.35Å; E185-Y251 HydrophobicContact CB-CG 3.81Å; E185-Y251 HydrophobicContact CG-CD2 4.09Å; E185-Y251 HydrophobicContact CG-CG 4.33Å; E185-W265 HydrophobicContact CB-CD2 4.14Å; E185-W265 HydrophobicContact CB-CE3 4.26Å; E185-W265 HydrophobicContact CB-CH2 3.89Å; E185-W265 HydrophobicContact CB-CZ2 3.74Å; E185-W265 HydrophobicContact CB-CZ3 4.14Å; E185-W265 HydrophobicContact CG-CD2 3.86Å; E185-W265 HydrophobicContact CG-CE3 4.46Å; E185-W265 HydrophobicContact CG-CG 4.18Å; E185-W265 HydrophobicContact CG-CH2 4.45Å; E185-W265 HydrophobicContact CG-CZ2 3.85Å; E185-W265 WeakPolarHBondContact O-CH2 3.35Å
186	W	98.4	Very high	97.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59.3	-48.7	173.1	-163.1	105.9	0	0	0	110.8	I178 S183 A184 I188 A189 D190 L344 Q350 I354	I178-W186 HydrophobicContact CB-CZ2 4.38Å; I178-W186 HydrophobicContact CG2-CD2 4.1Å; I178-W186 HydrophobicContact CG2-CG 3.79Å; I178-W186 VanDerWaalsContact CG2-NE1 3.27Å; S183-W186 WeakPolarHBondContact O-CB 3.38Å; S183-W186 PolarHBondContact O-N 3.45Å; S183-W186 PolarHBondContact OG-N 3.04Å; A184-W186 VanDerWaalsContact C-N 3.32Å; A184-W186 PolarHBondContact O-N 2.88Å; W186-I188 PolarHBondContact O-N 2.82Å; W186-A189 PolarHBondContact O-N 2.95Å; W186-D190 HydrophobicContact CE3-CB 3.96Å; W186-D190 HydrophobicContact CH2-CB 4.12Å; W186-D190 VanDerWaalsContact CH2-OD1 3.3Å; W186-D190 WeakPolarHBondContact CH2-OD1 3.41Å; W186-D190 HydrophobicContact CZ3-CB 3.53Å; W186-D190 WeakPolarHBondContact CZ3-OD1 3.45Å; W186-D190 WeakPolarHBondContact O-CB 3.34Å; W186-D190 PolarHBondContact O-N 2.71Å; W186-L344 HydrophobicContact CB-CD1 4.2Å; W186-L344 HydrophobicContact CD2-CB 3.7Å; W186-L344 HydrophobicContact CD2-CD1 3.45Å; W186-L344 VanDerWaalsContact CD2-CD1 3.45Å; W186-L344 HydrophobicContact CD2-CG 4.2Å; W186-L344 VanDerWaalsContact CE2-CB 3.5Å; W186-L344 HydrophobicContact CE3-CB 3.74Å; W186-L344 HydrophobicContact CE3-CD1 3.4Å; W186-L344 HydrophobicContact CE3-CG 4.06Å; W186-L344 HydrophobicContact CG-CD1 3.79Å; W186-L344 HydrophobicContact CH2-CB 3.55Å; W186-L344 WeakPolarHBondContact CH2-O 3.45Å; W186-L344 HydrophobicContact CZ2-CB 3.43Å; W186-L344 VanDerWaalsContact CZ2-CB 3.43Å; W186-L344 HydrophobicContact CZ3-CB 3.67Å; W186-L344 HydrophobicContact CZ3-CD1 4.09Å; W186-L344 HydrophobicContact CZ3-CD2 4.45Å; W186-L344 HydrophobicContact CZ3-CG 4.27Å; W186-Q350 HydrophobicContact CH2-CG 4.33Å; W186-I354 HydrophobicContact CE3-CD1 4.37Å; W186-I354 HydrophobicContact CZ3-CD1 3.78Å
187	F	98.7	Very high	97.7	Very high	1 Å²	1	5.5 Å²	5.5	0%	0.004	3%	0.03	C	C	.	.	H	α-helix	trans	-61.3	-41.8	177.6	-90.8	50.4	0	0	0	112.8	L138 Y154 S183 A184 I191 L344 D353 I354 T364 F366	L138-F187 HydrophobicContact CD1-CB 4.3Å; L138-F187 HydrophobicContact CD1-CD2 4.14Å; L138-F187 HydrophobicContact CD2-CD2 3.59Å; L138-F187 HydrophobicContact CD2-CE2 3.67Å; Y154-F187 HydrophobicContact CE1-CD2 4.48Å; Y154-F187 HydrophobicContact CE2-CB 4.02Å; Y154-F187 AromaticContact CZ-CD2 3.94Å; Y154-F187 WeakPolarHBondContact OH-CB 3.47Å; Y154-F187 VanDerWaalsContact OH-CD2 3.29Å; Y154-F187 WeakPolarHBondContact OH-CD2 3.38Å; S183-F187 WeakPolarHBondContact O-CD1 3.44Å; S183-F187 PolarHBondContact O-N 3.42Å; A184-F187 WeakPolarHBondContact O-CB 3.25Å; A184-F187 PolarHBondContact O-N 3.12Å; F187-I191 PolarHBondContact O-N 2.97Å; F187-L344 HydrophobicContact CD1-CD1 3.85Å; F187-L344 HydrophobicContact CE1-CD1 3.54Å; F187-L344 HydrophobicContact CE1-CD2 3.8Å; F187-L344 HydrophobicContact CE1-CG 4.33Å; F187-L344 HydrophobicContact CZ-CD2 4.46Å; F187-D353 HydrophobicContact CE1-CB 4.44Å; F187-D353 VanDerWaalsContact CE2-O 3.3Å; F187-D353 WeakPolarHBondContact CE2-O 3.48Å; F187-D353 HydrophobicContact CZ-CB 3.74Å; F187-D353 WeakPolarHBondContact CZ-O 3.41Å; F187-I354 HydrophobicContact CD1-CD1 4.24Å; F187-I354 HydrophobicContact CD1-CG1 4.1Å; F187-I354 HydrophobicContact CD2-CG1 3.84Å; F187-I354 HydrophobicContact CE1-CD1 4.15Å; F187-I354 HydrophobicContact CE1-CG1 3.71Å; F187-I354 HydrophobicContact CE2-CB 4.2Å; F187-I354 HydrophobicContact CE2-CG1 3.45Å; F187-I354 VanDerWaalsContact CE2-CG1 3.45Å; F187-I354 HydrophobicContact CG-CD1 4.44Å; F187-I354 HydrophobicContact CG-CG1 4.15Å; F187-I354 HydrophobicContact CZ-CB 4.44Å; F187-I354 HydrophobicContact CZ-CD1 4.3Å; F187-I354 HydrophobicContact CZ-CG1 3.36Å; F187-T364 HydrophobicContact CE2-CG2 4.23Å; F187-T364 HydrophobicContact CZ-CG2 3.97Å; F187-F366 AromaticContact CD1-CE1 3.79Å; F187-F366 HydrophobicContact CD1-CE1 3.79Å; F187-F366 AromaticContact CD1-CZ 3.73Å; F187-F366 HydrophobicContact CD1-CZ 3.73Å; F187-F366 HydrophobicContact CD2-CZ 4.16Å; F187-F366 AromaticContact CE1-CE1 3.55Å; F187-F366 HydrophobicContact CE1-CE1 3.55Å; F187-F366 AromaticContact CE1-CZ 3.73Å; F187-F366 HydrophobicContact CE1-CZ 3.73Å; F187-F366 HydrophobicContact CE2-CZ 4.15Å; F187-F366 HydrophobicContact CG-CE1 4.48Å; F187-F366 AromaticContact CG-CZ 3.96Å; F187-F366 HydrophobicContact CG-CZ 3.96Å; F187-F366 HydrophobicContact CZ-CE1 4.03Å; F187-F366 AromaticContact CZ-CZ 3.94Å; F187-F366 HydrophobicContact CZ-CZ 3.94Å
188	I	98.9	Very high	97.7	Very high	6 Å²	6	5.6 Å²	5.6	3%	0.031	3%	0.031	C	C	.	.	H	α-helix	trans	-69.2	-41.3	179.3	-69.5	160.8	0	0	0	110.6	L149 Y154 D157 A161 A184 E185 W186 G192 W265	L149-I188 HydrophobicContact CD1-CD1 4.17Å; Y154-I188 HydrophobicContact CD2-CG1 4Å; Y154-I188 HydrophobicContact CE2-CG1 3.9Å; D157-I188 HydrophobicContact CB-CD1 3.86Å; D157-I188 HydrophobicContact CB-CG1 4.09Å; D157-I188 HydrophobicContact CB-CG2 4.33Å; A161-I188 HydrophobicContact CB-CG2 3.6Å; A184-I188 WeakPolarHBondContact O-CB 3.47Å; A184-I188 WeakPolarHBondContact O-CD1 3.15Å; A184-I188 WeakPolarHBondContact O-CG1 3.48Å; A184-I188 PolarHBondContact O-N 3.12Å; E185-I188 PolarHBondContact O-N 2.8Å; W186-I188 PolarHBondContact O-N 2.82Å; I188-G192 WeakPolarHBondContact O-CA 3.18Å; I188-G192 PolarHBondContact O-N 3.36Å; I188-W265 HydrophobicContact CB-CH2 4.17Å; I188-W265 HydrophobicContact CB-CZ2 4.02Å; I188-W265 HydrophobicContact CD1-CZ2 4.33Å; I188-W265 HydrophobicContact CG2-CH2 3.9Å; I188-W265 HydrophobicContact CG2-CZ2 3.73Å
189	A	98.9	Very high	97.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-66.5	-42.8	177.2	0	0	0	0	0	112.1	F165 I178 E185 W186 A193 V225 W265	F165-A189 WeakPolarHBondContact CE2-O 3.35Å; F165-A189 HydrophobicContact CZ-CB 4.16Å; I178-A189 HydrophobicContact CD1-CB 3.93Å; I178-A189 HydrophobicContact CG1-CB 4.36Å; E185-A189 VanDerWaalsContact O-CB 3.25Å; E185-A189 WeakPolarHBondContact O-CB 3.41Å; E185-A189 PolarHBondContact O-N 3.34Å; W186-A189 PolarHBondContact O-N 2.95Å; A189-A193 WeakPolarHBondContact O-CB 3.32Å; A189-A193 PolarHBondContact O-N 3.31Å; A189-V225 HydrophobicContact CB-CB 4.46Å; A189-V225 HydrophobicContact CB-CG1 4.19Å; A189-V225 HydrophobicContact CB-CG2 4.15Å; A189-W265 HydrophobicContact CB-CH2 4.37Å; A189-W265 HydrophobicContact CB-CZ3 4.5Å
190	D	98.8	Very high	97.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.7	-55.4	179.4	-176.5	91.6	0	0	0	111.4	I178 W186 A193 I194 A200 W355	I178-D190 VanDerWaalsContact CD1-CA 3.46Å; I178-D190 HydrophobicContact CD1-CB 3.74Å; W186-D190 HydrophobicContact CE3-CB 3.96Å; W186-D190 HydrophobicContact CH2-CB 4.12Å; W186-D190 VanDerWaalsContact CH2-OD1 3.3Å; W186-D190 WeakPolarHBondContact CH2-OD1 3.41Å; W186-D190 HydrophobicContact CZ3-CB 3.53Å; W186-D190 WeakPolarHBondContact CZ3-OD1 3.45Å; W186-D190 WeakPolarHBondContact O-CB 3.34Å; W186-D190 PolarHBondContact O-N 2.71Å; D190-A193 PolarHBondContact O-N 2.59Å; D190-I194 WeakPolarHBondContact O-CG1 3.25Å; D190-I194 PolarHBondContact O-N 3.47Å; D190-A200 VanDerWaalsContact OD1-CB 3.3Å; D190-A200 WeakPolarHBondContact OD1-CB 3.41Å; D190-W355 WeakPolarHBondContact OD2-CZ2 3.33Å
191	I	98.9	Very high	98	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-68.4	-40.5	178.1	-61.8	-175.9	0	0	0	111.3	F125 Y154 C158 F187 A193 I194 L195 I354 W355 M358	F125-I191 HydrophobicContact CD1-CD1 3.86Å; F125-I191 HydrophobicContact CD1-CG2 3.76Å; F125-I191 HydrophobicContact CE1-CD1 3.61Å; F125-I191 HydrophobicContact CE1-CG2 3.87Å; F125-I191 HydrophobicContact CZ-CD1 4.39Å; Y154-I191 HydrophobicContact CE1-CD1 4.23Å; Y154-I191 HydrophobicContact CE2-CD1 4.48Å; Y154-I191 WeakPolarHBondContact OH-CD1 3.46Å; C158-I191 HydrophobicContact CB-CB 4.22Å; C158-I191 HydrophobicContact CB-CG2 3.86Å; F187-I191 PolarHBondContact O-N 2.97Å; I191-A193 VanDerWaalsContact C-N 3.26Å; I191-A193 PolarHBondContact O-N 2.96Å; I191-I194 WeakPolarHBondContact O-CB 3.37Å; I191-I194 PolarHBondContact O-N 2.75Å; I191-L195 HydrophobicContact CG2-CD1 3.98Å; I191-L195 HydrophobicContact CG2-CG 3.94Å; I191-L195 WeakPolarHBondContact O-CG 3.15Å; I191-L195 PolarHBondContact O-N 2.9Å; I191-I354 HydrophobicContact CD1-CG2 4.2Å; I191-W355 HydrophobicContact CD1-CH2 4.37Å; I191-W355 HydrophobicContact CD1-CZ3 4.22Å; I191-W355 HydrophobicContact CG1-CH2 3.83Å; I191-W355 HydrophobicContact CG1-CZ3 4.15Å; I191-M358 HydrophobicContact CD1-CE 3.39Å
192	G	98.9	Very high	98.3	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-58	-38.7	178	0	0	0	0	0	112.5	C158 A162 I188 L195 A196	C158-G192 WeakPolarHBondContact O-CA 3.33Å; A162-G192 WeakPolarHBondContact CA-O 3.48Å; A162-G192 VanDerWaalsContact CB-O 3.25Å; A162-G192 WeakPolarHBondContact CB-O 3.32Å; I188-G192 WeakPolarHBondContact O-CA 3.18Å; I188-G192 PolarHBondContact O-N 3.36Å; G192-L195 PolarHBondContact O-N 3.5Å; G192-A196 WeakPolarHBondContact O-CB 3.46Å; G192-A196 PolarHBondContact O-N 2.88Å
193	A	98.9	Very high	98.2	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-62.2	-45.2	173.7	0	0	0	0	0	111.6	F165 V176 A189 D190 I191 A196 G197 G198 A200	F165-A193 HydrophobicContact CE2-CB 4.35Å; V176-A193 HydrophobicContact CB-CB 3.58Å; V176-A193 HydrophobicContact CG1-CB 4.19Å; V176-A193 HydrophobicContact CG2-CB 3.53Å; A189-A193 WeakPolarHBondContact O-CB 3.32Å; A189-A193 PolarHBondContact O-N 3.31Å; D190-A193 PolarHBondContact O-N 2.59Å; I191-A193 VanDerWaalsContact C-N 3.26Å; I191-A193 PolarHBondContact O-N 2.96Å; A193-A196 PolarHBondContact O-N 2.95Å; A193-G197 PolarHBondContact O-N 3.32Å; A193-G198 WeakPolarHBondContact O-CA 3.07Å; A193-G198 PolarHBondContact O-N 3.03Å; A193-A200 HydrophobicContact CB-CB 4.48Å
194	I	98.9	Very high	97.6	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-62	-47.4	177.2	-65.4	168.2	0	0	0	110.7	V121 D190 I191 A196 G197 A200 Q287 C293 M294 H312 W355	V121-I194 HydrophobicContact CB-CG2 4Å; V121-I194 HydrophobicContact CG1-CG2 4.15Å; V121-I194 HydrophobicContact CG2-CG2 4.4Å; D190-I194 WeakPolarHBondContact O-CG1 3.25Å; D190-I194 PolarHBondContact O-N 3.47Å; I191-I194 WeakPolarHBondContact O-CB 3.37Å; I191-I194 PolarHBondContact O-N 2.75Å; I194-A196 VanDerWaalsContact C-N 3.29Å; I194-A196 PolarHBondContact O-N 3.44Å; I194-G197 PolarHBondContact O-N 2.94Å; I194-A200 HydrophobicContact CD1-CB 4.12Å; I194-A200 HydrophobicContact CG1-CB 3.94Å; I194-Q287 PolarHBondContact O-NE2 2.96Å; I194-C293 HydrophobicContact CG1-CB 4.23Å; I194-C293 WeakPolarHBondContact CG1-O 3.37Å; I194-C293 HydrophobicContact CG2-CB 3.99Å; I194-M294 HydrophobicContact CD1-CE 4.27Å; I194-H312 VanDerWaalsContact CG2-CE1 3.47Å; I194-H312 WeakPolarHBondContact CG2-CE1 3.38Å; I194-W355 HydrophobicContact CD1-CH2 3.91Å; I194-W355 HydrophobicContact CD1-CZ2 4.28Å
195	L	98.9	Very high	97	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-63.8	-34	-179.9	-65.1	-177.3	0	0	0	112.4	N122 C158 R159 A162 I191 G192 G197 L280 I284	N122-L195 HydrophobicContact CB-CD2 3.59Å; N122-L195 VanDerWaalsContact OD1-CD2 3.23Å; N122-L195 WeakPolarHBondContact OD1-CD2 3.26Å; C158-L195 HydrophobicContact CB-CD1 3.99Å; R159-L195 HydrophobicContact CG-CD1 3.99Å; A162-L195 HydrophobicContact CB-CB 3.8Å; I191-L195 HydrophobicContact CG2-CD1 3.98Å; I191-L195 HydrophobicContact CG2-CG 3.94Å; I191-L195 WeakPolarHBondContact O-CG 3.15Å; I191-L195 PolarHBondContact O-N 2.9Å; G192-L195 PolarHBondContact O-N 3.5Å; L195-G197 PolarHBondContact O-N 3.28Å; L195-L280 HydrophobicContact CB-CD1 4.43Å; L195-L280 WeakPolarHBondContact O-CD1 3.42Å; L195-I284 HydrophobicContact CB-CD1 4.28Å; L195-I284 HydrophobicContact CB-CG1 4.41Å; L195-I284 HydrophobicContact CD2-CD1 4.17Å; L195-I284 HydrophobicContact CD2-CG1 4.4Å; L195-I284 WeakPolarHBondContact O-CG1 3.42Å
196	A	98.8	Very high	96	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	0.3	173.8	0	0	0	0	0	113.5	A162 F165 L166 L170 G192 A193 I194 G198	A162-A196 HydrophobicContact CB-CB 4.06Å; F165-A196 HydrophobicContact CB-CB 4.34Å; L166-A196 HydrophobicContact CD2-CB 4.03Å; L166-A196 HydrophobicContact CG-CB 4.08Å; L170-A196 HydrophobicContact CD2-CB 3.72Å; G192-A196 WeakPolarHBondContact O-CB 3.46Å; G192-A196 PolarHBondContact O-N 2.88Å; A193-A196 PolarHBondContact O-N 2.95Å; I194-A196 VanDerWaalsContact C-N 3.29Å; I194-A196 PolarHBondContact O-N 3.44Å; A196-G198 VanDerWaalsContact C-N 3.3Å; A196-G198 PolarHBondContact O-N 2.67Å
197	G	98.6	Very high	95	Very high	2 Å²	2	9.1 Å²	9.1	2%	0.021	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	13.1	-179.8	0	0	0	0	0	114.6	R172 F173 A193 I194 L195	R172-G197 WeakPolarHBondContact CA-O 3.42Å; R172-G197 PolarHBondContact NE-O 3.12Å; F173-G197 PolarHBondContact N-O 2.87Å; A193-G197 PolarHBondContact O-N 3.32Å; I194-G197 PolarHBondContact O-N 2.94Å; L195-G197 PolarHBondContact O-N 3.28Å
198	G	98.8	Very high	94.1	Very high	2 Å²	2	11.5 Å²	11.5	2%	0.021	7%	0.07	C	C	.	.			trans	-86.8	-178.7	169.1	0	0	0	0	0	112.4	H174 A193 A196	H174-G198 WeakPolarHBondContact O-CA 3.49Å; A193-G198 WeakPolarHBondContact O-CA 3.07Å; A193-G198 PolarHBondContact O-N 3.03Å; A196-G198 VanDerWaalsContact C-N 3.3Å; A196-G198 PolarHBondContact O-N 2.67Å
199	L	98.9	Very high	93.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.8	175.1	-57.1	179.4	0	0	0	109.7	R101 F173 H174 V176 V201 C292 L295	R101-L199 HydrophobicContact CB-CD1 4.2Å; F173-L199 WeakPolarHBondContact O-CD1 3.47Å; H174-L199 PolarHBondContact O-N 3.03Å; V176-L199 PolarHBondContact N-O 2.94Å; L199-V201 HydrophobicContact CB-CG2 4.31Å; L199-V201 WeakPolarHBondContact O-CG2 3.36Å; L199-C292 HydrophobicContact CD2-CB 4.2Å; L199-C292 WeakPolarHBondContact CD2-O 3.38Å; L199-L295 HydrophobicContact CB-CD1 4.44Å; L199-L295 HydrophobicContact CB-CG 4.35Å; L199-L295 HydrophobicContact CD1-CD1 3.8Å; L199-L295 HydrophobicContact CD1-CD2 4.3Å; L199-L295 HydrophobicContact CD1-CG 3.99Å
200	A	98.8	Very high	92.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.9	170.2	0	0	0	0	0	110.4	D190 A193 I194 C293 M294 L295	D190-A200 VanDerWaalsContact OD1-CB 3.3Å; D190-A200 WeakPolarHBondContact OD1-CB 3.41Å; A193-A200 HydrophobicContact CB-CB 4.48Å; I194-A200 HydrophobicContact CD1-CB 4.12Å; I194-A200 HydrophobicContact CG1-CB 3.94Å; A200-C293 PolarHBondContact N-O 3.5Å; A200-M294 WeakPolarHBondContact O-CA 3.09Å; A200-L295 PolarHBondContact O-N 3.32Å
201	V	98.6	Very high	91.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	99.3	-173.8	-171.7	0	0	0	0	111.1	V176 G177 I178 L199 V215 L295 Y297	V176-V201 PolarHBondContact O-N 3.28Å; G177-V201 CarbonylContact C-O 3.58Å; G177-V201 WeakPolarHBondContact CA-O 3.29Å; I178-V201 PolarHBondContact N-O 3.04Å; L199-V201 HydrophobicContact CB-CG2 4.31Å; L199-V201 WeakPolarHBondContact O-CG2 3.36Å; V201-V215 HydrophobicContact CG1-CG1 3.78Å; V201-L295 HydrophobicContact CG1-CB 4.44Å; V201-L295 HydrophobicContact CG2-CB 4.08Å; V201-L295 HydrophobicContact CG2-CD1 3.91Å; V201-L295 HydrophobicContact CG2-CG 4.28Å; V201-Y297 HydrophobicContact CG1-CD2 3.93Å; V201-Y297 HydrophobicContact CG1-CE2 3.56Å
202	G	95.9	Very high	91.1	Very high	3 Å²	3	19.3 Å²	19.3	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	131.9	175.5	0	0	0	0	0	112.6
203	I	92	Very high	90.8	Very high	2 Å²	2	21 Å²	21	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.1	176.2	-46.8	-176.4	0	0	0	109.5	I178 L179 T205 N207 V215 S345	I178-I203 PolarHBondContact O-N 2.87Å; L179-I203 HydrophobicContact CB-CB 4.15Å; L179-I203 HydrophobicContact CD1-CB 3.99Å; L179-I203 HydrophobicContact CD1-CG2 3.84Å; L179-I203 WeakPolarHBondContact CD1-O 3.38Å; I203-T205 PolarHBondContact O-N 3.28Å; I203-N207 HydrophobicContact CG2-CB 4.43Å; I203-V215 HydrophobicContact CD1-CG1 4.04Å; I203-V215 HydrophobicContact CG1-CG1 3.85Å; I203-S345 PolarHBondContact N-OG 2.93Å; I203-S345 PolarHBondContact O-OG 3.07Å
204	Y	85.3	Confident	90.2	Very high	25 Å²	25	23.1 Å²	23.1	10%	0.098	13%	0.129	C	C	.	.			trans	-64	132.7	-179.6	-72.2	-81	0	0	0	111.3	L179 T206 N207 P343 S345 P718	L179-Y204 VanDerWaalsContact CD1-O 3.27Å; L179-Y204 WeakPolarHBondContact CD1-O 3.45Å; Y204-T206 PolarHBondContact O-N 3.37Å; Y204-N207 VanDerWaalsContact O-CB 3.3Å; Y204-N207 WeakPolarHBondContact O-CB 3.39Å; Y204-N207 PolarHBondContact O-N 3.38Å; Y204-P343 HydrophobicContact CD1-CB 4.06Å; Y204-P343 HydrophobicContact CE1-CB 3.86Å; Y204-P343 HydrophobicContact CE1-CG 4.45Å; Y204-S345 PolarHBondContact N-OG 3.36Å; Y204-P718 HydrophobicContact CD1-CB 3.47Å; Y204-P718 VanDerWaalsContact CD1-CB 3.47Å; Y204-P718 HydrophobicContact CD1-CG 3.94Å; Y204-P718 HydrophobicContact CD2-CG 4.34Å; Y204-P718 HydrophobicContact CE1-CB 3.75Å; Y204-P718 HydrophobicContact CE1-CG 4.33Å; Y204-P718 HydrophobicContact CG-CB 4Å; Y204-P718 HydrophobicContact CG-CG 3.94Å
205	T	83.9	Confident	89.9	Confident	44 Å²	44	23.2 Å²	23.2	27%	0.27	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.6	176.7	55.4	0	0	0	0	114	G180 I203 Q231 K234	G180-T205 VanDerWaalsContact CA-CG2 3.48Å; G180-T205 WeakPolarHBondContact O-CG2 3.33Å; I203-T205 PolarHBondContact O-N 3.28Å; T205-Q231 PolarHBondContact O-NE2 3.28Å; T205-K234 PolarHBondContact O-NZ 2.97Å
206	T	77.8	Confident	89.8	Confident	77 Å²	77	23.3 Å²	23.3	47%	0.472	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-7.6	176.9	53.6	0	0	0	0	113.4	Y204 V711 P718	Y204-T206 PolarHBondContact O-N 3.37Å; T206-V711 HydrophobicContact CG2-CG1 4.1Å; T206-P718 WeakPolarHBondContact OG1-CG 3.45Å
207	N	78.3	Confident	89.7	Confident	29 Å²	29	28.1 Å²	28.1	16%	0.155	15%	0.153	C	C	.	.			trans	-62.5	144	176.4	-79.2	7.6	0	0	0	111.3	I203 Y204 A211 K234	I203-N207 HydrophobicContact CG2-CB 4.43Å; Y204-N207 VanDerWaalsContact O-CB 3.3Å; Y204-N207 WeakPolarHBondContact O-CB 3.39Å; Y204-N207 PolarHBondContact O-N 3.38Å; N207-A211 HydrophobicContact CB-CB 3.88Å; N207-K234 WeakPolarHBondContact O-CE 3.39Å; N207-K234 PolarHBondContact O-NZ 3.02Å
208	S	79.2	Confident	89.6	Confident	52 Å²	52	29.3 Å²	29.3	36%	0.364	16%	0.159	S	C	.	.			trans	-72.7	164.5	167.5	80.1	0	0	0	0	110.5	E210 A211 C212	S208-E210 VanDerWaalsContact CB-OE2 3.28Å; S208-E210 WeakPolarHBondContact CB-OE2 3.1Å; S208-E210 PolarHBondContact O-N 3Å; S208-E210 PolarHBondContact OG-N 2.85Å; S208-E210 PolarHBondContact OG-OE2 3.45Å; S208-A211 PolarHBondContact O-N 3.24Å; S208-A211 VanDerWaalsContact O-N 3.16Å; S208-A211 PolarHBondContact OG-N 2.89Å; S208-C212 PolarHBondContact O-N 2.86Å; S208-C212 PolarHBondContact O-SG 3.03Å; S208-C212 VanDerWaalsContact O-SG 3.35Å
209	P	84.9	Confident	89.6	Confident	19 Å²	19	29.2 Å²	29.2	12%	0.123	16%	0.158	C	C	.	.	H	α-helix	trans	-50.6	-41.7	172.1	-27.5	36.5	0	0	0	113.3	C212 H213 K234 Q237 I238	P209-C212 WeakPolarHBondContact O-CB 3.41Å; P209-C212 PolarHBondContact O-N 3Å; P209-H213 WeakPolarHBondContact O-CB 3.35Å; P209-H213 PolarHBondContact O-N 3.23Å; P209-K234 HydrophobicContact CG-CB 4.19Å; P209-K234 HydrophobicContact CG-CG 4.29Å; P209-Q237 HydrophobicContact CB-CB 4.33Å; P209-I238 HydrophobicContact CB-CG2 3.99Å
210	E	79.7	Confident	89.5	Confident	121 Å²	121	33.1 Å²	33.1	57%	0.565	18%	0.175	S	C	*	.	H	α-helix	trans	-67.2	-40.3	179.6	-57.2	71	-154	0	0	111.8	S208 C212 H213 Y214	S208-E210 VanDerWaalsContact CB-OE2 3.28Å; S208-E210 WeakPolarHBondContact CB-OE2 3.1Å; S208-E210 PolarHBondContact O-N 3Å; S208-E210 PolarHBondContact OG-N 2.85Å; S208-E210 PolarHBondContact OG-OE2 3.45Å; E210-C212 VanDerWaalsContact C-N 3.32Å; E210-H213 WeakPolarHBondContact O-CB 3.23Å; E210-H213 PolarHBondContact O-N 3.42Å; E210-Y214 PolarHBondContact O-N 3.34Å
211	A	78.9	Confident	89.5	Confident	29 Å²	29	33.3 Å²	33.3	24%	0.24	18%	0.176	C	C	.	.	H	α-helix	trans	-68.3	-33.6	174.8	0	0	0	0	0	111.8	N207 S208 V215	N207-A211 HydrophobicContact CB-CB 3.88Å; S208-A211 PolarHBondContact O-N 3.24Å; S208-A211 VanDerWaalsContact O-N 3.16Å; S208-A211 PolarHBondContact OG-N 2.89Å; A211-V215 WeakPolarHBondContact O-CG2 3.44Å; A211-V215 PolarHBondContact O-N 2.88Å
212	C	88.6	Confident	89.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-43.4	171.1	-67.5	0	0	0	0	111.6	S208 P209 E210 V215 A216 I235	S208-C212 PolarHBondContact O-N 2.86Å; S208-C212 PolarHBondContact O-SG 3.03Å; S208-C212 VanDerWaalsContact O-SG 3.35Å; P209-C212 WeakPolarHBondContact O-CB 3.41Å; P209-C212 PolarHBondContact O-N 3Å; E210-C212 VanDerWaalsContact C-N 3.32Å; C212-V215 PolarHBondContact O-N 2.73Å; C212-A216 WeakPolarHBondContact O-CB 3.44Å; C212-A216 PolarHBondContact O-N 2.85Å; C212-I235 HydrophobicContact CB-CD1 4.01Å
213	H	93.1	Very high	89.7	Confident	36 Å²	36	33.1 Å²	33.1	17%	0.167	18%	0.175	C	C	.	.	H	α-helix	trans	-56.3	-51.2	176.5	170	-111.5	0	0	0	111.1	P209 E210 V215 A216 E217 I238 K241	P209-H213 WeakPolarHBondContact O-CB 3.35Å; P209-H213 PolarHBondContact O-N 3.23Å; E210-H213 WeakPolarHBondContact O-CB 3.23Å; E210-H213 PolarHBondContact O-N 3.42Å; H213-V215 VanDerWaalsContact C-N 3.34Å; H213-V215 PolarHBondContact O-N 3.21Å; H213-A216 PolarHBondContact O-N 2.78Å; H213-E217 IonicContact CE1-OE2 3.57Å; H213-E217 PolarHBondContact CE1-OE2 2.58Å; H213-E217 IonicContact ND1-OE2 3.68Å; H213-E217 IonicContact NE2-OE2 2.85Å; H213-E217 PolarHBondContact NE2-OE2 2.91Å; H213-E217 VanDerWaalsContact O-CB 3.28Å; H213-E217 WeakPolarHBondContact O-CB 3.46Å; H213-E217 PolarHBondContact O-N 3.35Å; H213-I238 HydrophobicContact CB-CB 3.99Å; H213-I238 HydrophobicContact CB-CD1 4.16Å; H213-I238 HydrophobicContact CB-CG1 4.05Å; H213-I238 HydrophobicContact CB-CG2 4.1Å; H213-K241 PolarHBondContact NE2-O 2.79Å
214	Y	87.1	Confident	90	Very high	45 Å²	45	33 Å²	33	18%	0.176	17%	0.174	C	C	.	.	H	α-helix	trans	-55.3	-46.7	178.1	175.3	-91.3	0	0	0	112.9	E210 N218 Y297 Q304 P305 M552	E210-Y214 PolarHBondContact O-N 3.34Å; Y214-N218 VanDerWaalsContact O-CB 3.27Å; Y214-N218 WeakPolarHBondContact O-CB 3.41Å; Y214-N218 PolarHBondContact O-N 2.96Å; Y214-Y297 HydrophobicContact CE1-CD1 4.41Å; Y214-Y297 HydrophobicContact CE1-CE1 4.22Å; Y214-Q304 HydrophobicContact CD2-CG 4.45Å; Y214-Q304 HydrophobicContact CE1-CB 4.32Å; Y214-Q304 HydrophobicContact CE2-CB 3.81Å; Y214-Q304 HydrophobicContact CE2-CG 4.02Å; Y214-P305 HydrophobicContact CD1-CB 4.48Å; Y214-P305 HydrophobicContact CD1-CG 4.35Å; Y214-P305 HydrophobicContact CE1-CB 4.08Å; Y214-P305 HydrophobicContact CE1-CG 4.32Å; Y214-P305 WeakPolarHBondContact CE1-O 3.46Å; Y214-P305 VanDerWaalsContact CZ-O 3.3Å; Y214-P305 PolarHBondContact OH-O 3.32Å; Y214-M552 WeakPolarHBondContact OH-CE 3.41Å
215	V	91.9	Very high	90.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-65.7	-44.7	179.8	171	0	0	0	0	111.3	V201 I203 A211 C212 H213 S219 Y297	V201-V215 HydrophobicContact CG1-CG1 3.78Å; I203-V215 HydrophobicContact CD1-CG1 4.04Å; I203-V215 HydrophobicContact CG1-CG1 3.85Å; A211-V215 WeakPolarHBondContact O-CG2 3.44Å; A211-V215 PolarHBondContact O-N 2.88Å; C212-V215 PolarHBondContact O-N 2.73Å; H213-V215 VanDerWaalsContact C-N 3.34Å; H213-V215 PolarHBondContact O-N 3.21Å; V215-S219 WeakPolarHBondContact O-CB 3.49Å; V215-S219 PolarHBondContact O-N 3.3Å; V215-S219 PolarHBondContact O-OG 3.4Å; V215-Y297 HydrophobicContact CG1-CD2 3.71Å; V215-Y297 HydrophobicContact CG1-CE1 4.46Å; V215-Y297 HydrophobicContact CG1-CE2 3.61Å; V215-Y297 HydrophobicContact CG1-CG 4.19Å; V215-Y297 HydrophobicContact CG2-CD1 3.95Å; V215-Y297 HydrophobicContact CG2-CD2 4.32Å; V215-Y297 HydrophobicContact CG2-CE1 4.25Å; V215-Y297 HydrophobicContact CG2-CG 3.94Å; V215-Y297 PolarHBondContact O-OH 3.49Å
216	A	97.4	Very high	91.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-67.4	-38.8	180	0	0	0	0	0	112.3	C212 H213 S219 K220 A221 I224 L242	C212-A216 WeakPolarHBondContact O-CB 3.44Å; C212-A216 PolarHBondContact O-N 2.85Å; H213-A216 PolarHBondContact O-N 2.78Å; A216-S219 PolarHBondContact O-OG 3.33Å; A216-K220 PolarHBondContact O-N 2.82Å; A216-A221 HydrophobicContact CB-CB 4.14Å; A216-A221 PolarHBondContact O-N 3.49Å; A216-I224 HydrophobicContact CB-CD1 4.01Å; A216-L242 HydrophobicContact CB-CD1 3.94Å; A216-L242 HydrophobicContact CB-CD2 3.59Å; A216-L242 HydrophobicContact CB-CG 4.45Å
217	E	96.9	Very high	92.2	Very high	101 Å²	101	26.9 Å²	26.9	47%	0.472	14%	0.138	S	C	.	.	H	α-helix	trans	-68.1	-50.7	176.3	-177.3	173.5	-149.6	0	0	111.5	H213 S219 K220 L242	H213-E217 IonicContact CE1-OE2 3.57Å; H213-E217 PolarHBondContact CE1-OE2 2.58Å; H213-E217 IonicContact ND1-OE2 3.68Å; H213-E217 IonicContact NE2-OE2 2.85Å; H213-E217 PolarHBondContact NE2-OE2 2.91Å; H213-E217 VanDerWaalsContact O-CB 3.28Å; H213-E217 WeakPolarHBondContact O-CB 3.46Å; H213-E217 PolarHBondContact O-N 3.35Å; E217-S219 VanDerWaalsContact C-N 3.34Å; E217-S219 PolarHBondContact O-N 3.25Å; E217-K220 PolarHBondContact O-N 3.14Å; E217-L242 HydrophobicContact CB-CD2 4.46Å
218	N	96.1	Very high	93.1	Very high	28 Å²	28	26.8 Å²	26.8	15%	0.15	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-41.5	-179	-178.5	-118.4	0	0	0	111.9	R101 Y214 K220 Y297 L550	R101-N218 PolarHBondContact NH2-O 2.66Å; Y214-N218 VanDerWaalsContact O-CB 3.27Å; Y214-N218 WeakPolarHBondContact O-CB 3.41Å; Y214-N218 PolarHBondContact O-N 2.96Å; N218-K220 PolarHBondContact O-N 3.35Å; N218-Y297 HydrophobicContact CB-CE1 4.27Å; N218-Y297 WeakPolarHBondContact CB-OH 3.33Å; N218-Y297 WeakPolarHBondContact OD1-CE1 3.31Å; N218-Y297 PolarHBondContact OD1-OH 3.31Å; N218-L550 WeakPolarHBondContact O-CD2 3.34Å
219	S	97.5	Very high	93.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-5.9	174.7	59.8	0	0	0	0	114.3	R101 G175 V215 A216 E217 A221 Y297	R101-S219 PolarHBondContact NH1-O 3.29Å; R101-S219 VanDerWaalsContact NH1-O 3.08Å; G175-S219 PolarHBondContact N-O 2.74Å; V215-S219 WeakPolarHBondContact O-CB 3.49Å; V215-S219 PolarHBondContact O-N 3.3Å; V215-S219 PolarHBondContact O-OG 3.4Å; A216-S219 PolarHBondContact O-OG 3.33Å; E217-S219 VanDerWaalsContact C-N 3.34Å; E217-S219 PolarHBondContact O-N 3.25Å; S219-A221 VanDerWaalsContact C-N 3.3Å; S219-A221 PolarHBondContact O-N 3.27Å; S219-Y297 PolarHBondContact N-OH 3.28Å; S219-Y297 VanDerWaalsContact N-OH 3.13Å
220	K	98.1	Very high	94.3	Very high	81 Å²	81	32.9 Å²	32.9	35%	0.352	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	55.3	-168	-56.8	-177.9	-175.5	-179.6	0	110.8	R101 H174 G175 A216 E217 N218 N222	R101-K220 VanDerWaalsContact NH1-CG 3.31Å; H174-K220 PolarHBondContact CD2-O 3.09Å; G175-K220 PolarHBondContact N-O 3.23Å; A216-K220 PolarHBondContact O-N 2.82Å; E217-K220 PolarHBondContact O-N 3.14Å; N218-K220 PolarHBondContact O-N 3.35Å; K220-N222 PolarHBondContact O-N 2.92Å
221	A	98.6	Very high	95	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.033	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	122.2	-175	0	0	0	0	0	110.8	G175 A216 S219 I224 H244 L245	G175-A221 CarbonylContact O-C 3.5Å; G175-A221 WeakPolarHBondContact O-CA 3.48Å; A216-A221 HydrophobicContact CB-CB 4.14Å; A216-A221 PolarHBondContact O-N 3.49Å; S219-A221 VanDerWaalsContact C-N 3.3Å; S219-A221 PolarHBondContact O-N 3.27Å; A221-I224 HydrophobicContact CB-CG1 4.28Å; A221-H244 CarbonylContact O-C 3.48Å; A221-L245 PolarHBondContact O-N 3.16Å
222	N	98.9	Very high	96	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-29.5	169.6	-73.9	160.6	0	0	0	111.9	L170 E171 H174 G175 K220 H244 K246 A247	L170-N222 HydrophobicContact CD1-CB 4.08Å; E171-N222 PolarHBondContact N-OD1 2.79Å; H174-N222 HydrophobicContact CB-CB 4.38Å; H174-N222 VanDerWaalsContact CB-OD1 3.23Å; H174-N222 WeakPolarHBondContact CB-OD1 3.34Å; H174-N222 PolarHBondContact CD2-ND2 2.86Å; G175-N222 PolarHBondContact O-N 3.05Å; K220-N222 PolarHBondContact O-N 2.92Å; N222-H244 WeakPolarHBondContact CA-O 3.48Å; N222-H244 PolarHBondContact ND2-O 3.4Å; N222-K246 HydrophobicContact CB-CD 4.32Å; N222-K246 PolarHBondContact O-N 3.27Å; N222-A247 PolarHBondContact O-N 2.88Å
223	I	98.9	Very high	96.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.2	-172.8	-57.8	-178.4	0	0	0	108.7	F165 L168 L170 V176 G177 A247 I249	F165-I223 HydrophobicContact CB-CD1 4.09Å; F165-I223 HydrophobicContact CD1-CD1 3.58Å; F165-I223 HydrophobicContact CD1-CG2 4.04Å; F165-I223 HydrophobicContact CE1-CD1 4.48Å; F165-I223 HydrophobicContact CE1-CG2 3.92Å; F165-I223 HydrophobicContact CG-CD1 4.27Å; L168-I223 HydrophobicContact CB-CD1 3.72Å; L168-I223 HydrophobicContact CD1-CD1 4.46Å; L170-I223 HydrophobicContact CB-CD1 3.95Å; V176-I223 CarbonylContact C-O 3.41Å; V176-I223 WeakPolarHBondContact CA-O 3.14Å; V176-I223 HydrophobicContact CG1-CB 4.45Å; V176-I223 HydrophobicContact CG1-CG2 4.49Å; V176-I223 HydrophobicContact CG2-CB 4.4Å; G177-I223 PolarHBondContact N-O 3.35Å; I223-A247 WeakPolarHBondContact CA-O 3.22Å; I223-A247 HydrophobicContact CG1-CB 4.42Å; I223-A247 HydrophobicContact CG2-CB 4.47Å; I223-I249 HydrophobicContact CG2-CD1 3.15Å
224	I	98.9	Very high	96.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.9	173.2	-60.3	173.3	0	0	0	110.2	G177 A216 A221 V226 I235 L242 L245 A247 I248 I249	G177-I224 CarbonylContact O-C 3.6Å; G177-I224 VanDerWaalsContact O-CA 3.29Å; G177-I224 WeakPolarHBondContact O-CA 3.3Å; A216-I224 HydrophobicContact CB-CD1 4.01Å; A221-I224 HydrophobicContact CB-CG1 4.28Å; I224-V226 HydrophobicContact CG2-CG1 3.8Å; I224-I235 HydrophobicContact CD1-CD1 4.15Å; I224-I235 HydrophobicContact CD1-CG2 3.86Å; I224-I235 HydrophobicContact CG2-CD1 4.13Å; I224-I235 HydrophobicContact CG2-CG1 4.01Å; I224-L242 HydrophobicContact CD1-CD1 3.82Å; I224-L245 HydrophobicContact CB-CD1 4.26Å; I224-L245 HydrophobicContact CD1-CD1 3.9Å; I224-L245 HydrophobicContact CD1-CD2 4.31Å; I224-L245 HydrophobicContact CG1-CD1 3.74Å; I224-A247 PolarHBondContact N-O 2.92Å; I224-I248 CarbonylContact O-C 3.43Å; I224-I248 VanDerWaalsContact O-CA 3.23Å; I224-I248 WeakPolarHBondContact O-CA 3.47Å; I224-I249 PolarHBondContact O-N 3.33Å
225	V	98.9	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.1	175.2	-178	0	0	0	0	108.3	F165 V176 G177 I178 L179 A189 I249 Y251 W265	F165-V225 HydrophobicContact CE1-CG2 4.02Å; F165-V225 HydrophobicContact CZ-CG2 4.1Å; V176-V225 HydrophobicContact CG1-CG2 4.04Å; G177-V225 PolarHBondContact O-N 2.78Å; I178-V225 CarbonylContact C-O 3.5Å; I178-V225 WeakPolarHBondContact CA-O 3.26Å; I178-V225 HydrophobicContact CG2-CB 4.36Å; I178-V225 HydrophobicContact CG2-CG1 4.46Å; L179-V225 PolarHBondContact N-O 2.98Å; A189-V225 HydrophobicContact CB-CB 4.46Å; A189-V225 HydrophobicContact CB-CG1 4.19Å; A189-V225 HydrophobicContact CB-CG2 4.15Å; V225-I249 CarbonylContact C-O 3.59Å; V225-I249 WeakPolarHBondContact CA-O 3.44Å; V225-I249 HydrophobicContact CG2-CB 4.31Å; V225-I249 HydrophobicContact CG2-CD1 4.25Å; V225-Y251 HydrophobicContact CG1-CD1 3.59Å; V225-Y251 HydrophobicContact CG1-CE1 4.1Å; V225-W265 HydrophobicContact CG1-CZ3 4.37Å
226	V	98.6	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143	-176.4	-60.3	0	0	0	0	111.3	L179 I224 Q231 L232 I235 I248 I249 Q250 Y251	L179-V226 HydrophobicContact CB-CG1 4.31Å; L179-V226 HydrophobicContact CD2-CG1 4.44Å; L179-V226 WeakPolarHBondContact O-CA 3.38Å; I224-V226 HydrophobicContact CG2-CG1 3.8Å; V226-Q231 HydrophobicContact CB-CB 4.03Å; V226-Q231 HydrophobicContact CG1-CB 4.49Å; V226-L232 HydrophobicContact CG2-CB 3.92Å; V226-L232 HydrophobicContact CG2-CD1 4.27Å; V226-I235 HydrophobicContact CG1-CG1 3.87Å; V226-I248 HydrophobicContact CG1-CG2 4.43Å; V226-I248 HydrophobicContact CG2-CG2 4.16Å; V226-I249 PolarHBondContact N-O 3.26Å; V226-Q250 HydrophobicContact CG2-CB 4.11Å; V226-Q250 HydrophobicContact CG2-CG 4.31Å; V226-Q250 VanDerWaalsContact O-CA 3.31Å; V226-Q250 WeakPolarHBondContact O-CA 3.49Å; V226-Y251 VanDerWaalsContact C-CD1 3.49Å; V226-Y251 VanDerWaalsContact C-CE1 3.48Å; V226-Y251 WeakPolarHBondContact O-CD1 3.49Å; V226-Y251 PolarHBondContact O-N 3.22Å
227	E	96.6	Very high	97.1	Very high	17 Å²	17	33.9 Å²	33.9	8%	0.079	16%	0.158	C	C	.	.	S	Bend	trans	-60.7	-58	-179.5	-174.5	-175	163.3	0	0	112.2	L179 F181 Q231 Y251 K252	L179-E227 PolarHBondContact O-N 3.3Å; F181-E227 WeakPolarHBondContact CB-OE2 3.28Å; F181-E227 PolarHBondContact N-OE2 3.49Å; E227-Q231 HydrophobicContact CB-CG 4.37Å; E227-Y251 HydrophobicContact CB-CE1 3.97Å; E227-Y251 HydrophobicContact CB-CE2 4.03Å; E227-Y251 WeakPolarHBondContact CB-OH 3.2Å; E227-Y251 HydrophobicContact CG-CE2 3.75Å; E227-K252 HydrophobicContact CG-CB 4.26Å; E227-K252 HydrophobicContact CG-CD 4.16Å; E227-K252 VanDerWaalsContact O-CA 3.31Å; E227-K252 WeakPolarHBondContact O-CA 3.48Å; E227-K252 WeakPolarHBondContact O-CB 3.44Å; E227-K252 PolarHBondContact O-N 3.41Å; E227-K252 IonicContact OE1-NZ 3.83Å
228	N	95.8	Very high	97	Very high	27 Å²	27	29.3 Å²	29.3	14%	0.144	14%	0.136	C	C	.	.	S	Bend	trans	-149.7	-179.8	-167.7	56.1	46.4	0	0	0	110.2	K230 Q231 L232	N228-K230 PolarHBondContact O-N 3.19Å; N228-K230 VanDerWaalsContact O-N 3.13Å; N228-K230 WeakPolarHBondContact OD1-CB 3.41Å; N228-K230 PolarHBondContact OD1-N 2.98Å; N228-K230 VanDerWaalsContact OD1-N 3.08Å; N228-Q231 PolarHBondContact O-N 2.96Å; N228-Q231 PolarHBondContact OD1-N 3.13Å; N228-L232 PolarHBondContact O-N 2.66Å
229	H	96.4	Very high	97	Very high	47 Å²	47	30 Å²	30	22%	0.218	14%	0.138	C	C	.	.	H	α-helix	trans	-56.4	-33.4	-178	-172.7	76.6	0	0	0	113.5	Q231 L232 Q233	H229-Q231 PolarHBondContact O-N 3.13Å; H229-L232 WeakPolarHBondContact O-CB 3.3Å; H229-L232 PolarHBondContact O-N 2.81Å; H229-Q233 PolarHBondContact CE1-NE2 2.9Å; H229-Q233 PolarHBondContact NE2-NE2 3.13Å; H229-Q233 WeakPolarHBondContact O-CG 3.3Å; H229-Q233 PolarHBondContact O-N 2.63Å
230	K	92.9	Very high	97	Very high	151 Å²	151	36.2 Å²	36.2	66%	0.657	17%	0.172	S	C	*	.	H	α-helix	trans	-63.9	-42.3	177.8	179.6	-178.6	178.4	177.3	0	111.5	N228	N228-K230 PolarHBondContact O-N 3.19Å; N228-K230 VanDerWaalsContact O-N 3.13Å; N228-K230 WeakPolarHBondContact OD1-CB 3.41Å; N228-K230 PolarHBondContact OD1-N 2.98Å; N228-K230 VanDerWaalsContact OD1-N 3.08Å
231	Q	95.8	Very high	97	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.051	18%	0.178	C	C	.	.	H	α-helix	trans	-73.9	-38	177.3	-58.8	-52.9	-20.6	0	0	111.4	L179 T205 V226 E227 N228 H229 Q233 K234	L179-Q231 HydrophobicContact CD2-CB 3.9Å; L179-Q231 HydrophobicContact CG-CB 3.95Å; L179-Q231 HydrophobicContact CG-CG 4.18Å; T205-Q231 PolarHBondContact O-NE2 3.28Å; V226-Q231 HydrophobicContact CB-CB 4.03Å; V226-Q231 HydrophobicContact CG1-CB 4.49Å; E227-Q231 HydrophobicContact CB-CG 4.37Å; N228-Q231 PolarHBondContact O-N 2.96Å; N228-Q231 PolarHBondContact OD1-N 3.13Å; H229-Q231 PolarHBondContact O-N 3.13Å; Q231-Q233 VanDerWaalsContact C-N 3.33Å; Q231-Q233 PolarHBondContact O-N 2.88Å; Q231-K234 WeakPolarHBondContact O-CB 3.43Å; Q231-K234 PolarHBondContact O-N 3.46Å; Q231-K234 VanDerWaalsContact O-N 3.13Å; Q231-K234 VanDerWaalsContact OE1-CE 3.32Å
232	L	98	Very high	96.9	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-53.2	-48.7	172.9	177.1	60.4	0	0	0	111.7	V226 N228 H229 K234 I235 L236 I248 L262	V226-L232 HydrophobicContact CG2-CB 3.92Å; V226-L232 HydrophobicContact CG2-CD1 4.27Å; N228-L232 PolarHBondContact O-N 2.66Å; H229-L232 WeakPolarHBondContact O-CB 3.3Å; H229-L232 PolarHBondContact O-N 2.81Å; L232-K234 PolarHBondContact O-N 2.61Å; L232-K234 VanDerWaalsContact O-N 3.13Å; L232-I235 PolarHBondContact O-N 3.25Å; L232-L236 HydrophobicContact CD1-CD1 4.21Å; L232-L236 HydrophobicContact CD1-CD2 3.97Å; L232-L236 HydrophobicContact CD1-CG 3.92Å; L232-L236 HydrophobicContact CD2-CD1 4.41Å; L232-L236 HydrophobicContact CG-CD1 3.94Å; L232-L236 HydrophobicContact CG-CG 4.05Å; L232-L236 WeakPolarHBondContact O-CG 3.46Å; L232-L236 PolarHBondContact O-N 3.44Å; L232-I248 HydrophobicContact CD1-CD1 4.47Å; L232-I248 HydrophobicContact CD1-CG2 3.67Å; L232-L262 HydrophobicContact CD1-CD1 3.76Å; L232-L262 HydrophobicContact CD1-CD2 4.49Å; L232-L262 HydrophobicContact CD2-CD1 4.16Å; L232-L262 HydrophobicContact CD2-CD2 3.9Å
233	Q	96.9	Very high	96.8	Very high	71 Å²	71	43.4 Å²	43.4	33%	0.332	21%	0.214	S	C	.	.	H	α-helix	trans	-58.2	-28.8	-179.4	-72.6	-53.4	-57.8	0	0	113.8	H229 Q231 Q237	H229-Q233 PolarHBondContact CE1-NE2 2.9Å; H229-Q233 PolarHBondContact NE2-NE2 3.13Å; H229-Q233 WeakPolarHBondContact O-CG 3.3Å; H229-Q233 PolarHBondContact O-N 2.63Å; Q231-Q233 VanDerWaalsContact C-N 3.33Å; Q231-Q233 PolarHBondContact O-N 2.88Å; Q233-Q237 VanDerWaalsContact O-CG 3.31Å; Q233-Q237 WeakPolarHBondContact O-CG 3.29Å; Q233-Q237 PolarHBondContact O-N 2.78Å; Q233-Q237 PolarHBondContact O-NE2 3.43Å
234	K	92.4	Very high	96.8	Very high	27 Å²	27	47 Å²	47	12%	0.117	23%	0.231	C	C	.	.	H	α-helix	trans	-69.1	-37.2	175.6	-62.1	179.2	-177.5	176.5	0	112	L179 T205 N207 P209 Q231 L232 I238	L179-K234 HydrophobicContact CD2-CD 4.5Å; T205-K234 PolarHBondContact O-NZ 2.97Å; N207-K234 WeakPolarHBondContact O-CE 3.39Å; N207-K234 PolarHBondContact O-NZ 3.02Å; P209-K234 HydrophobicContact CG-CB 4.19Å; P209-K234 HydrophobicContact CG-CG 4.29Å; Q231-K234 WeakPolarHBondContact O-CB 3.43Å; Q231-K234 PolarHBondContact O-N 3.46Å; Q231-K234 VanDerWaalsContact O-N 3.13Å; Q231-K234 VanDerWaalsContact OE1-CE 3.32Å; L232-K234 PolarHBondContact O-N 2.61Å; L232-K234 VanDerWaalsContact O-N 3.13Å; K234-I238 WeakPolarHBondContact O-CG1 3.33Å
235	I	98	Very high	96.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-74.7	-42.6	179.4	-55.9	-54.5	0	0	0	110.3	L179 C212 I224 V226 L232 Q237 I238 E239 L245 I248	L179-I235 HydrophobicContact CD2-CD1 4.01Å; L179-I235 HydrophobicContact CD2-CG1 4.24Å; C212-I235 HydrophobicContact CB-CD1 4.01Å; I224-I235 HydrophobicContact CD1-CD1 4.15Å; I224-I235 HydrophobicContact CD1-CG2 3.86Å; I224-I235 HydrophobicContact CG2-CD1 4.13Å; I224-I235 HydrophobicContact CG2-CG1 4.01Å; V226-I235 HydrophobicContact CG1-CG1 3.87Å; L232-I235 PolarHBondContact O-N 3.25Å; I235-Q237 PolarHBondContact O-N 2.83Å; I235-I238 HydrophobicContact CG2-CD1 4.48Å; I235-I238 CarbonylContact O-C 3.6Å; I235-I238 WeakPolarHBondContact O-CG1 3.5Å; I235-I238 PolarHBondContact O-N 2.87Å; I235-E239 PolarHBondContact O-N 3.16Å; I235-L245 HydrophobicContact CG2-CD2 4.3Å; I235-I248 HydrophobicContact CG2-CD1 3.82Å; I235-I248 HydrophobicContact CG2-CG1 4.38Å
236	L	97.5	Very high	96.7	Very high	28 Å²	28	52 Å²	52	15%	0.147	25%	0.253	C	S	.	.	H	α-helix	trans	-60.9	-28.1	177.9	-61.5	-173.8	0	0	0	113.2	L232 I238 E239 I248	L232-L236 HydrophobicContact CD1-CD1 4.21Å; L232-L236 HydrophobicContact CD1-CD2 3.97Å; L232-L236 HydrophobicContact CD1-CG 3.92Å; L232-L236 HydrophobicContact CD2-CD1 4.41Å; L232-L236 HydrophobicContact CG-CD1 3.94Å; L232-L236 HydrophobicContact CG-CG 4.05Å; L232-L236 WeakPolarHBondContact O-CG 3.46Å; L232-L236 PolarHBondContact O-N 3.44Å; L236-I238 PolarHBondContact O-N 2.72Å; L236-E239 WeakPolarHBondContact CD2-OE2 3.34Å; L236-I248 HydrophobicContact CD2-CD1 3.86Å
237	Q	96.7	Very high	96.7	Very high	115 Å²	115	52 Å²	52	54%	0.537	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.3	174.9	-79.8	170.1	69.8	0	0	114.3	P209 Q233 I235	P209-Q237 HydrophobicContact CB-CB 4.33Å; Q233-Q237 VanDerWaalsContact O-CG 3.31Å; Q233-Q237 WeakPolarHBondContact O-CG 3.29Å; Q233-Q237 PolarHBondContact O-N 2.78Å; Q233-Q237 PolarHBondContact O-NE2 3.43Å; I235-Q237 PolarHBondContact O-N 2.83Å
238	I	96.1	Very high	96.8	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	8.3	-176.1	57.7	80.9	0	0	0	112.3	P209 H213 K234 I235 L236 D240 K241 L242	P209-I238 HydrophobicContact CB-CG2 3.99Å; H213-I238 HydrophobicContact CB-CB 3.99Å; H213-I238 HydrophobicContact CB-CD1 4.16Å; H213-I238 HydrophobicContact CB-CG1 4.05Å; H213-I238 HydrophobicContact CB-CG2 4.1Å; K234-I238 WeakPolarHBondContact O-CG1 3.33Å; I235-I238 HydrophobicContact CG2-CD1 4.48Å; I235-I238 CarbonylContact O-C 3.6Å; I235-I238 WeakPolarHBondContact O-CG1 3.5Å; I235-I238 PolarHBondContact O-N 2.87Å; L236-I238 PolarHBondContact O-N 2.72Å; I238-D240 VanDerWaalsContact C-N 3.31Å; I238-D240 PolarHBondContact O-N 3.36Å; I238-K241 WeakPolarHBondContact O-CB 3.35Å; I238-K241 PolarHBondContact O-N 2.65Å; I238-L242 HydrophobicContact CD1-CD1 3.29Å; I238-L242 HydrophobicContact CD1-CD2 4.33Å; I238-L242 HydrophobicContact CD1-CG 3.75Å
239	E	96.3	Very high	97	Very high	42 Å²	42	49.9 Å²	49.9	20%	0.196	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-60.4	-39.3	-175.2	179.8	174.8	-157.4	0	0	112	I235 L236 K241 L242 L245 R259 N261	I235-E239 PolarHBondContact O-N 3.16Å; L236-E239 WeakPolarHBondContact CD2-OE2 3.34Å; E239-K241 PolarHBondContact O-N 3.5Å; E239-L242 PolarHBondContact O-N 2.99Å; E239-L242 VanDerWaalsContact O-N 3.16Å; E239-L245 HydrophobicContact CG-CD2 4.38Å; E239-R259 IonicContact OE2-NH1 3.5Å; E239-R259 PolarHBondContact OE2-NH1 2.83Å; E239-N261 PolarHBondContact OE1-ND2 3.12Å
240	D	96.7	Very high	97.1	Very high	132 Å²	132	47.8 Å²	47.8	71%	0.706	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-62.9	-19.3	176.4	63.6	-50.8	0	0	0	113.6	I238	I238-D240 VanDerWaalsContact C-N 3.31Å; I238-D240 PolarHBondContact O-N 3.36Å
241	K	97.1	Very high	97.2	Very high	112 Å²	112	41.4 Å²	41.4	49%	0.487	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-100.5	5.8	-179.4	-56.2	176.7	-174	170.6	0	113.2	H213 I238 E239 P243	H213-K241 PolarHBondContact NE2-O 2.79Å; I238-K241 WeakPolarHBondContact O-CB 3.35Å; I238-K241 PolarHBondContact O-N 2.65Å; E239-K241 PolarHBondContact O-N 3.5Å; K241-P243 VanDerWaalsContact O-CD 3.24Å; K241-P243 WeakPolarHBondContact O-CD 3.42Å
242	L	97.6	Very high	97.1	Very high	13 Å²	13	45 Å²	45	7%	0.068	22%	0.221	C	C	.	.			trans	-112.1	81.9	-178.9	-66.7	-178.3	0	0	0	111	A216 E217 I224 I238 E239 H244 L245	A216-L242 HydrophobicContact CB-CD1 3.94Å; A216-L242 HydrophobicContact CB-CD2 3.59Å; A216-L242 HydrophobicContact CB-CG 4.45Å; E217-L242 HydrophobicContact CB-CD2 4.46Å; I224-L242 HydrophobicContact CD1-CD1 3.82Å; I238-L242 HydrophobicContact CD1-CD1 3.29Å; I238-L242 HydrophobicContact CD1-CD2 4.33Å; I238-L242 HydrophobicContact CD1-CG 3.75Å; E239-L242 PolarHBondContact O-N 2.99Å; E239-L242 VanDerWaalsContact O-N 3.16Å; L242-H244 PolarHBondContact O-N 2.82Å; L242-H244 VanDerWaalsContact O-N 3.08Å; L242-L245 HydrophobicContact CB-CB 3.77Å; L242-L245 HydrophobicContact CB-CD2 4.33Å; L242-L245 HydrophobicContact CD1-CB 4.45Å; L242-L245 HydrophobicContact CD1-CD2 3.85Å; L242-L245 WeakPolarHBondContact O-CB 3.47Å; L242-L245 PolarHBondContact O-N 2.67Å; L242-L245 VanDerWaalsContact O-N 3.08Å
243	P	96.8	Very high	96.7	Very high	111 Å²	111	50.1 Å²	50.1	72%	0.721	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.9	-171.9	27.3	-36.6	0	0	0	114.1	K241	K241-P243 VanDerWaalsContact O-CD 3.24Å; K241-P243 WeakPolarHBondContact O-CD 3.42Å
244	H	97.9	Very high	96.5	Very high	75 Å²	75	50.8 Å²	50.8	35%	0.347	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-9.2	179.4	-63.5	-64.7	0	0	0	113.7	A221 N222 L242 K246	A221-H244 CarbonylContact O-C 3.48Å; N222-H244 WeakPolarHBondContact CA-O 3.48Å; N222-H244 PolarHBondContact ND2-O 3.4Å; L242-H244 PolarHBondContact O-N 2.82Å; L242-H244 VanDerWaalsContact O-N 3.08Å; H244-K246 PolarHBondContact O-N 2.88Å
245	L	98.6	Very high	96.6	Very high	25 Å²	25	50.9 Å²	50.9	13%	0.131	27%	0.268	C	S	.	.			trans	-74	120.6	-173.5	-177.2	65.7	0	0	0	111	A221 I224 I235 E239 L242 A247 I248	A221-L245 PolarHBondContact O-N 3.16Å; I224-L245 HydrophobicContact CB-CD1 4.26Å; I224-L245 HydrophobicContact CD1-CD1 3.9Å; I224-L245 HydrophobicContact CD1-CD2 4.31Å; I224-L245 HydrophobicContact CG1-CD1 3.74Å; I235-L245 HydrophobicContact CG2-CD2 4.3Å; E239-L245 HydrophobicContact CG-CD2 4.38Å; L242-L245 HydrophobicContact CB-CB 3.77Å; L242-L245 HydrophobicContact CB-CD2 4.33Å; L242-L245 HydrophobicContact CD1-CB 4.45Å; L242-L245 HydrophobicContact CD1-CD2 3.85Å; L242-L245 WeakPolarHBondContact O-CB 3.47Å; L242-L245 PolarHBondContact O-N 2.67Å; L242-L245 VanDerWaalsContact O-N 3.08Å; L245-A247 WeakPolarHBondContact CD1-O 3.42Å; L245-I248 HydrophobicContact CD1-CG1 4.48Å; L245-I248 HydrophobicContact CD2-CD1 4.11Å; L245-I248 HydrophobicContact CD2-CG1 4.01Å
246	K	98.6	Very high	96.4	Very high	79 Å²	79	58.6 Å²	58.6	34%	0.343	30%	0.301	S	S	.	.			trans	-105.7	-34.5	-178.6	-58.5	179.2	-174.4	-179.6	0	112.5	G169 E171 N222 H244 N261	G169-K246 VanDerWaalsContact O-CD 3.25Å; G169-K246 WeakPolarHBondContact O-CD 3.29Å; G169-K246 WeakPolarHBondContact O-CE 3.23Å; G169-K246 PolarHBondContact O-NZ 3.34Å; E171-K246 IonicContact OE1-NZ 3.73Å; E171-K246 PolarHBondContact OE1-NZ 3.32Å; N222-K246 HydrophobicContact CB-CD 4.32Å; N222-K246 PolarHBondContact O-N 3.27Å; H244-K246 PolarHBondContact O-N 2.88Å; K246-N261 WeakPolarHBondContact O-CB 3.45Å
247	A	98.8	Very high	96	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	151	-177.4	0	0	0	0	0	113.8	L168 N222 I223 I224 L245 I249 N261 Y263	L168-A247 HydrophobicContact CB-CB 4.14Å; L168-A247 HydrophobicContact CD1-CB 3.86Å; L168-A247 HydrophobicContact CD2-CB 4.18Å; L168-A247 HydrophobicContact CG-CB 4.29Å; N222-A247 PolarHBondContact O-N 2.88Å; I223-A247 WeakPolarHBondContact CA-O 3.22Å; I223-A247 HydrophobicContact CG1-CB 4.42Å; I223-A247 HydrophobicContact CG2-CB 4.47Å; I224-A247 PolarHBondContact N-O 2.92Å; L245-A247 WeakPolarHBondContact CD1-O 3.42Å; A247-I249 HydrophobicContact CB-CD1 4.45Å; A247-N261 CarbonylContact C-O 3.53Å; A247-N261 WeakPolarHBondContact CA-O 3.49Å; A247-Y263 HydrophobicContact CB-CD2 4.28Å; A247-Y263 HydrophobicContact CB-CE2 4.06Å
248	I	98.8	Very high	95.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.2	171.3	-53.2	171.1	0	0	0	108.7	I224 V226 L232 I235 L236 L245 N261 L262 Y263	I224-I248 CarbonylContact O-C 3.43Å; I224-I248 VanDerWaalsContact O-CA 3.23Å; I224-I248 WeakPolarHBondContact O-CA 3.47Å; V226-I248 HydrophobicContact CG1-CG2 4.43Å; V226-I248 HydrophobicContact CG2-CG2 4.16Å; L232-I248 HydrophobicContact CD1-CD1 4.47Å; L232-I248 HydrophobicContact CD1-CG2 3.67Å; I235-I248 HydrophobicContact CG2-CD1 3.82Å; I235-I248 HydrophobicContact CG2-CG1 4.38Å; L236-I248 HydrophobicContact CD2-CD1 3.86Å; L245-I248 HydrophobicContact CD1-CG1 4.48Å; L245-I248 HydrophobicContact CD2-CD1 4.11Å; L245-I248 HydrophobicContact CD2-CG1 4.01Å; I248-N261 PolarHBondContact N-O 3.2Å; I248-L262 HydrophobicContact CB-CD1 4Å; I248-L262 HydrophobicContact CG2-CD1 3.93Å; I248-L262 WeakPolarHBondContact O-CA 3.35Å; I248-Y263 PolarHBondContact O-N 2.96Å
249	I	98.8	Very high	95.8	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	121	178.9	-60	86.5	0	0	0	109.3	F165 L168 I223 I224 V225 V226 A247 Y263 W265 F268	F165-I249 HydrophobicContact CE1-CD1 4.46Å; L168-I249 HydrophobicContact CD1-CD1 4.05Å; L168-I249 HydrophobicContact CD1-CG1 4.43Å; I223-I249 HydrophobicContact CG2-CD1 3.15Å; I224-I249 PolarHBondContact O-N 3.33Å; V225-I249 CarbonylContact C-O 3.59Å; V225-I249 WeakPolarHBondContact CA-O 3.44Å; V225-I249 HydrophobicContact CG2-CB 4.31Å; V225-I249 HydrophobicContact CG2-CD1 4.25Å; V226-I249 PolarHBondContact N-O 3.26Å; A247-I249 HydrophobicContact CB-CD1 4.45Å; I249-Y263 CarbonylContact C-O 3.52Å; I249-Y263 WeakPolarHBondContact CA-O 3.23Å; I249-W265 HydrophobicContact CG2-CE3 3.92Å; I249-W265 HydrophobicContact CG2-CZ3 4.49Å; I249-F268 HydrophobicContact CD1-CD2 4.29Å; I249-F268 HydrophobicContact CG1-CB 4.04Å; I249-F268 HydrophobicContact CG1-CD2 3.82Å; I249-F268 HydrophobicContact CG1-CE2 4.48Å; I249-F268 HydrophobicContact CG1-CG 3.93Å; I249-F268 HydrophobicContact CG2-CB 3.83Å; I249-F268 HydrophobicContact CG2-CD1 4.32Å; I249-F268 HydrophobicContact CG2-CG 4.06Å
250	Q	98.5	Very high	95.7	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.009	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124	170.5	-171.2	-175.3	-79.7	0	0	110.1	V226 K252 D253 A254 L255 Y263 S264 W265	V226-Q250 HydrophobicContact CG2-CB 4.11Å; V226-Q250 HydrophobicContact CG2-CG 4.31Å; V226-Q250 VanDerWaalsContact O-CA 3.31Å; V226-Q250 WeakPolarHBondContact O-CA 3.49Å; Q250-K252 WeakPolarHBondContact CG-O 3.42Å; Q250-K252 PolarHBondContact NE2-O 3.36Å; Q250-D253 PolarHBondContact NE2-O 3.34Å; Q250-A254 PolarHBondContact NE2-O 3.26Å; Q250-L255 HydrophobicContact CB-CD2 3.59Å; Q250-L255 HydrophobicContact CG-CD2 4.29Å; Q250-Y263 PolarHBondContact N-O 2.82Å; Q250-S264 CarbonylContact O-C 3.51Å; Q250-S264 WeakPolarHBondContact O-CA 3.36Å; Q250-W265 PolarHBondContact O-N 3.1Å
251	Y	96.3	Very high	95.7	Very high	18 Å²	18	65.6 Å²	65.6	7%	0.071	34%	0.336	C	S	.	.			trans	-100.7	-9.6	-173.7	69.5	-102.8	0	0	0	117.7	G180 F181 S183 E185 V225 V226 E227	G180-Y251 VanDerWaalsContact CA-OH 3.3Å; G180-Y251 WeakPolarHBondContact CA-OH 3.25Å; F181-Y251 PolarHBondContact O-OH 2.99Å; S183-Y251 VanDerWaalsContact OG-CE2 3.31Å; S183-Y251 WeakPolarHBondContact OG-CE2 3.41Å; E185-Y251 HydrophobicContact CB-CD1 4.49Å; E185-Y251 HydrophobicContact CB-CD2 3.74Å; E185-Y251 HydrophobicContact CB-CE2 4.35Å; E185-Y251 HydrophobicContact CB-CG 3.81Å; E185-Y251 HydrophobicContact CG-CD2 4.09Å; E185-Y251 HydrophobicContact CG-CG 4.33Å; V225-Y251 HydrophobicContact CG1-CD1 3.59Å; V225-Y251 HydrophobicContact CG1-CE1 4.1Å; V226-Y251 VanDerWaalsContact C-CD1 3.49Å; V226-Y251 VanDerWaalsContact C-CE1 3.48Å; V226-Y251 WeakPolarHBondContact O-CD1 3.49Å; V226-Y251 PolarHBondContact O-N 3.22Å; E227-Y251 HydrophobicContact CB-CE1 3.97Å; E227-Y251 HydrophobicContact CB-CE2 4.03Å; E227-Y251 WeakPolarHBondContact CB-OH 3.2Å; E227-Y251 HydrophobicContact CG-CE2 3.75Å
252	K	92.6	Very high	95.7	Very high	87 Å²	87	60.5 Å²	60.5	38%	0.378	31%	0.314	S	S	.	.	S	Bend	trans	-130.2	149.1	176	-162.3	179.8	-179.5	174.7	0	110.3	E227 Q250	E227-K252 HydrophobicContact CG-CB 4.26Å; E227-K252 HydrophobicContact CG-CD 4.16Å; E227-K252 VanDerWaalsContact O-CA 3.31Å; E227-K252 WeakPolarHBondContact O-CA 3.48Å; E227-K252 WeakPolarHBondContact O-CB 3.44Å; E227-K252 PolarHBondContact O-N 3.41Å; E227-K252 IonicContact OE1-NZ 3.83Å; Q250-K252 WeakPolarHBondContact CG-O 3.42Å; Q250-K252 PolarHBondContact NE2-O 3.36Å
253	D	90.3	Very high	95.8	Very high	110 Å²	110	62.8 Å²	62.8	59%	0.588	32%	0.322	S	S	*	.	S	Bend	trans	62.1	159.4	-177.1	-47.4	-47.2	0	0	0	113.4	Q250	Q250-D253 PolarHBondContact NE2-O 3.34Å
254	A	91.5	Very high	95.9	Very high	86 Å²	86	58.9 Å²	58.9	71%	0.711	30%	0.297	S	S	*	.			trans	-66	146.6	173	0	0	0	0	0	110.8	Q250 K256	Q250-A254 PolarHBondContact NE2-O 3.26Å; A254-K256 PolarHBondContact O-N 3.08Å
255	L	94.5	Very high	95.9	Very high	29 Å²	29	57.2 Å²	57.2	15%	0.152	29%	0.288	C	S	.	.			trans	-64.4	125.9	170.1	-70.1	174.7	0	0	0	109.4	Q250 E257 K258 L262	Q250-L255 HydrophobicContact CB-CD2 3.59Å; Q250-L255 HydrophobicContact CG-CD2 4.29Å; L255-E257 VanDerWaalsContact C-N 3.33Å; L255-K258 HydrophobicContact CD1-CD 4.11Å; L255-K258 VanDerWaalsContact CD1-NZ 3.31Å; L255-L262 HydrophobicContact CD1-CG 4.16Å; L255-L262 HydrophobicContact CD2-CD1 3.98Å; L255-L262 HydrophobicContact CD2-CD2 3.96Å; L255-L262 HydrophobicContact CD2-CG 3.85Å
256	K	93.5	Very high	95.8	Very high	161 Å²	161	59.4 Å²	59.4	70%	0.7	31%	0.31	S	S	*	.	S	Bend	trans	-73.5	-28.5	176.4	-63.7	-165.1	-174.4	179	0	112.9	A254	A254-K256 PolarHBondContact O-N 3.08Å
257	E	91.1	Very high	95.8	Very high	107 Å²	107	59.4 Å²	59.4	50%	0.5	31%	0.311	S	S	.	.	S	Bend	trans	-141.9	141	-179.4	-174.1	-170	139.2	0	0	107.9	L255 R259 L262	L255-E257 VanDerWaalsContact C-N 3.33Å; E257-R259 IonicContact OE1-CZ 3.34Å; E257-R259 IonicContact OE1-NE 3.21Å; E257-R259 PolarHBondContact OE1-NE 2.92Å; E257-R259 VanDerWaalsContact OE1-NE 3.16Å; E257-R259 IonicContact OE1-NH2 3.04Å; E257-L262 WeakPolarHBondContact O-CD2 3.41Å
258	K	92.4	Very high	95.8	Very high	113 Å²	113	59.4 Å²	59.4	49%	0.491	31%	0.311	S	S	.	.			trans	-94.6	136.5	174.2	-82.3	-75.8	172.7	-179.4	0	110.1	L255 E267	L255-K258 HydrophobicContact CD1-CD 4.11Å; L255-K258 VanDerWaalsContact CD1-NZ 3.31Å; K258-E267 IonicContact NZ-OE1 2.71Å; K258-E267 PolarHBondContact NZ-OE1 3.25Å; K258-E267 IonicContact NZ-OE2 2.87Å; K258-E267 PolarHBondContact NZ-OE2 2.96Å
259	R	95	Very high	95.8	Very high	84 Å²	84	60.1 Å²	60.1	32%	0.317	32%	0.315	S	S	.	.			trans	-135	155.5	174.8	-63.2	-179.9	161.8	-150.1	-3.1	110	E239 E257 N261 L262	E239-R259 IonicContact OE2-NH1 3.5Å; E239-R259 PolarHBondContact OE2-NH1 2.83Å; E257-R259 IonicContact OE1-CZ 3.34Å; E257-R259 IonicContact OE1-NE 3.21Å; E257-R259 PolarHBondContact OE1-NE 2.92Å; E257-R259 VanDerWaalsContact OE1-NE 3.16Å; E257-R259 IonicContact OE1-NH2 3.04Å; R259-N261 VanDerWaalsContact C-N 3.27Å; R259-N261 PolarHBondContact O-N 3.21Å; R259-L262 HydrophobicContact CB-CB 3.77Å; R259-L262 HydrophobicContact CB-CD2 4.4Å; R259-L262 HydrophobicContact CG-CD2 4.38Å; R259-L262 PolarHBondContact O-N 3.15Å; R259-L262 VanDerWaalsContact O-N 3.12Å
260	P	93.8	Very high	95.8	Very high	128 Å²	128	64.5 Å²	64.5	83%	0.831	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.3	-176.3	-27.2	35.8	0	0	0	114.5
261	N	96.6	Very high	95.7	Very high	37 Å²	37	66.8 Å²	66.8	20%	0.198	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	12.9	-179	66.9	-23.7	0	0	0	113.3	E239 K246 A247 I248 R259	E239-N261 PolarHBondContact OE1-ND2 3.12Å; K246-N261 WeakPolarHBondContact O-CB 3.45Å; A247-N261 CarbonylContact C-O 3.53Å; A247-N261 WeakPolarHBondContact CA-O 3.49Å; I248-N261 PolarHBondContact N-O 3.2Å; R259-N261 VanDerWaalsContact C-N 3.27Å; R259-N261 PolarHBondContact O-N 3.21Å
262	L	98.4	Very high	95.7	Very high	5 Å²	5	66 Å²	66	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.7	-175.8	-179.8	60.3	0	0	0	111.8	L232 I248 L255 E257 R259	L232-L262 HydrophobicContact CD1-CD1 3.76Å; L232-L262 HydrophobicContact CD1-CD2 4.49Å; L232-L262 HydrophobicContact CD2-CD1 4.16Å; L232-L262 HydrophobicContact CD2-CD2 3.9Å; I248-L262 HydrophobicContact CB-CD1 4Å; I248-L262 HydrophobicContact CG2-CD1 3.93Å; I248-L262 WeakPolarHBondContact O-CA 3.35Å; L255-L262 HydrophobicContact CD1-CG 4.16Å; L255-L262 HydrophobicContact CD2-CD1 3.98Å; L255-L262 HydrophobicContact CD2-CD2 3.96Å; L255-L262 HydrophobicContact CD2-CG 3.85Å; E257-L262 WeakPolarHBondContact O-CD2 3.41Å; R259-L262 HydrophobicContact CB-CB 3.77Å; R259-L262 HydrophobicContact CB-CD2 4.4Å; R259-L262 HydrophobicContact CG-CD2 4.38Å; R259-L262 PolarHBondContact O-N 3.15Å; R259-L262 VanDerWaalsContact O-N 3.12Å
263	Y	98.5	Very high	95.8	Very high	61 Å²	61	68.4 Å²	68.4	24%	0.239	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.3	-176	-57.9	-95.2	0	0	0	110.9	L168 A247 I248 I249 Q250 E267 L271	L168-Y263 HydrophobicContact CD1-CD2 4.42Å; L168-Y263 HydrophobicContact CD2-CD2 4.2Å; L168-Y263 HydrophobicContact CD2-CE1 4.13Å; L168-Y263 HydrophobicContact CD2-CE2 3.54Å; L168-Y263 VanDerWaalsContact CD2-CZ 3.5Å; A247-Y263 HydrophobicContact CB-CD2 4.28Å; A247-Y263 HydrophobicContact CB-CE2 4.06Å; I248-Y263 PolarHBondContact O-N 2.96Å; I249-Y263 CarbonylContact C-O 3.52Å; I249-Y263 WeakPolarHBondContact CA-O 3.23Å; Q250-Y263 PolarHBondContact N-O 2.82Å; Y263-E267 HydrophobicContact CD1-CB 4.39Å; Y263-L271 HydrophobicContact CD1-CD1 4.36Å; Y263-L271 HydrophobicContact CE1-CD1 4.26Å
264	S	98.5	Very high	95.9	Very high	29 Å²	29	69.5 Å²	69.5	20%	0.203	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	162.1	161.2	64.4	0	0	0	0	109.9	Q250 A266 E267 F268	Q250-S264 CarbonylContact O-C 3.51Å; Q250-S264 WeakPolarHBondContact O-CA 3.36Å; S264-A266 VanDerWaalsContact C-N 3.26Å; S264-A266 PolarHBondContact O-N 3.14Å; S264-E267 WeakPolarHBondContact CB-OE2 3.45Å; S264-E267 PolarHBondContact N-OE2 3.27Å; S264-E267 PolarHBondContact O-N 3.2Å; S264-E267 VanDerWaalsContact OG-CD 3.28Å; S264-E267 WeakPolarHBondContact OG-CG 3.35Å; S264-E267 PolarHBondContact OG-N 3.15Å; S264-E267 PolarHBondContact OG-OE2 3.14Å; S264-F268 WeakPolarHBondContact O-CB 3.3Å; S264-F268 PolarHBondContact O-N 3.23Å
265	W	98.3	Very high	95.8	Very high	39 Å²	39	67.2 Å²	67.2	15%	0.148	33%	0.332	C	S	.	.	H	α-helix	trans	-54.7	-42.2	174.1	-168.9	-115.6	0	0	0	113.4	E185 I188 A189 V225 I249 Q250 F268 M269	E185-W265 HydrophobicContact CB-CD2 4.14Å; E185-W265 HydrophobicContact CB-CE3 4.26Å; E185-W265 HydrophobicContact CB-CH2 3.89Å; E185-W265 HydrophobicContact CB-CZ2 3.74Å; E185-W265 HydrophobicContact CB-CZ3 4.14Å; E185-W265 HydrophobicContact CG-CD2 3.86Å; E185-W265 HydrophobicContact CG-CE3 4.46Å; E185-W265 HydrophobicContact CG-CG 4.18Å; E185-W265 HydrophobicContact CG-CH2 4.45Å; E185-W265 HydrophobicContact CG-CZ2 3.85Å; E185-W265 WeakPolarHBondContact O-CH2 3.35Å; I188-W265 HydrophobicContact CB-CH2 4.17Å; I188-W265 HydrophobicContact CB-CZ2 4.02Å; I188-W265 HydrophobicContact CD1-CZ2 4.33Å; I188-W265 HydrophobicContact CG2-CH2 3.9Å; I188-W265 HydrophobicContact CG2-CZ2 3.73Å; A189-W265 HydrophobicContact CB-CH2 4.37Å; A189-W265 HydrophobicContact CB-CZ3 4.5Å; V225-W265 HydrophobicContact CG1-CZ3 4.37Å; I249-W265 HydrophobicContact CG2-CE3 3.92Å; I249-W265 HydrophobicContact CG2-CZ3 4.49Å; Q250-W265 PolarHBondContact O-N 3.1Å; W265-F268 HydrophobicContact CD2-CD1 4.34Å; W265-F268 AromaticContact CE3-CD1 3.79Å; W265-F268 HydrophobicContact CE3-CD1 3.79Å; W265-F268 HydrophobicContact CE3-CE1 4.31Å; W265-F268 HydrophobicContact CH2-CD1 4.23Å; W265-F268 AromaticContact CH2-CE1 3.98Å; W265-F268 HydrophobicContact CH2-CE1 3.98Å; W265-F268 AromaticContact CZ3-CD1 3.72Å; W265-F268 HydrophobicContact CZ3-CD1 3.72Å; W265-F268 AromaticContact CZ3-CE1 3.76Å; W265-F268 HydrophobicContact CZ3-CE1 3.76Å; W265-F268 PolarHBondContact O-N 3.13Å; W265-M269 HydrophobicContact CD2-CG 4.2Å; W265-M269 HydrophobicContact CG-CG 4.33Å; W265-M269 HydrophobicContact CH2-SD 4.39Å; W265-M269 HydrophobicContact CZ2-CG 4.24Å; W265-M269 HydrophobicContact CZ2-SD 3.83Å; W265-M269 WeakPolarHBondContact O-CB 3.49Å; W265-M269 VanDerWaalsContact O-CG 3.3Å; W265-M269 WeakPolarHBondContact O-CG 3.35Å; W265-M269 PolarHBondContact O-N 3.17Å
266	A	97.9	Very high	95.8	Very high	72 Å²	72	70.3 Å²	70.3	60%	0.595	35%	0.354	S	S	*	.	H	α-helix	trans	-63.4	-44.9	-178.9	0	0	0	0	0	111.5	S264 M269 E270	S264-A266 VanDerWaalsContact C-N 3.26Å; S264-A266 PolarHBondContact O-N 3.14Å; A266-M269 PolarHBondContact O-N 3.16Å; A266-E270 WeakPolarHBondContact O-CB 3.3Å; A266-E270 PolarHBondContact O-N 2.79Å
267	E	97.9	Very high	95.8	Very high	79 Å²	79	66 Å²	66	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-64.6	-43.7	175.5	-69.8	160.6	139.1	0	0	111.4	K258 Y263 S264 M269 E270 L271	K258-E267 IonicContact NZ-OE1 2.71Å; K258-E267 PolarHBondContact NZ-OE1 3.25Å; K258-E267 IonicContact NZ-OE2 2.87Å; K258-E267 PolarHBondContact NZ-OE2 2.96Å; Y263-E267 HydrophobicContact CD1-CB 4.39Å; S264-E267 WeakPolarHBondContact CB-OE2 3.45Å; S264-E267 PolarHBondContact N-OE2 3.27Å; S264-E267 PolarHBondContact O-N 3.2Å; S264-E267 VanDerWaalsContact OG-CD 3.28Å; S264-E267 WeakPolarHBondContact OG-CG 3.35Å; S264-E267 PolarHBondContact OG-N 3.15Å; S264-E267 PolarHBondContact OG-OE2 3.14Å; E267-M269 PolarHBondContact O-N 3.3Å; E267-E270 PolarHBondContact O-N 3.21Å; E267-L271 WeakPolarHBondContact O-CG 3.48Å; E267-L271 PolarHBondContact O-N 3.46Å
268	F	98.5	Very high	96.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-56.4	-51.3	175.8	167.2	-109.2	0	0	0	111.3	A161 S164 F165 L168 I249 S264 W265 E270 L271	A161-F268 HydrophobicContact CB-CE1 3.74Å; A161-F268 HydrophobicContact CB-CZ 3.88Å; A161-F268 WeakPolarHBondContact O-CZ 3.49Å; S164-F268 WeakPolarHBondContact CB-O 3.47Å; S164-F268 PolarHBondContact OG-O 2.75Å; F165-F268 AromaticContact CD1-CE2 3.43Å; F165-F268 HydrophobicContact CD1-CE2 3.43Å; F165-F268 VanDerWaalsContact CD1-CE2 3.43Å; F165-F268 AromaticContact CD1-CZ 3.57Å; F165-F268 HydrophobicContact CD1-CZ 3.57Å; F165-F268 HydrophobicContact CD2-CZ 4.12Å; F165-F268 HydrophobicContact CE1-CE1 4.31Å; F165-F268 AromaticContact CE1-CE2 3.52Å; F165-F268 HydrophobicContact CE1-CE2 3.52Å; F165-F268 AromaticContact CE1-CZ 3.33Å; F165-F268 HydrophobicContact CE1-CZ 3.33Å; F165-F268 AromaticContact CE2-CZ 3.9Å; F165-F268 HydrophobicContact CE2-CZ 3.9Å; F165-F268 HydrophobicContact CG-CE2 4.05Å; F165-F268 AromaticContact CG-CZ 3.96Å; F165-F268 HydrophobicContact CG-CZ 3.96Å; F165-F268 HydrophobicContact CZ-CE1 4.25Å; F165-F268 HydrophobicContact CZ-CE2 4.19Å; F165-F268 AromaticContact CZ-CZ 3.51Å; F165-F268 HydrophobicContact CZ-CZ 3.51Å; L168-F268 HydrophobicContact CD1-CD2 3.76Å; L168-F268 HydrophobicContact CD1-CE2 4.09Å; I249-F268 HydrophobicContact CD1-CD2 4.29Å; I249-F268 HydrophobicContact CG1-CB 4.04Å; I249-F268 HydrophobicContact CG1-CD2 3.82Å; I249-F268 HydrophobicContact CG1-CE2 4.48Å; I249-F268 HydrophobicContact CG1-CG 3.93Å; I249-F268 HydrophobicContact CG2-CB 3.83Å; I249-F268 HydrophobicContact CG2-CD1 4.32Å; I249-F268 HydrophobicContact CG2-CG 4.06Å; S264-F268 WeakPolarHBondContact O-CB 3.3Å; S264-F268 PolarHBondContact O-N 3.23Å; W265-F268 HydrophobicContact CD2-CD1 4.34Å; W265-F268 AromaticContact CE3-CD1 3.79Å; W265-F268 HydrophobicContact CE3-CD1 3.79Å; W265-F268 HydrophobicContact CE3-CE1 4.31Å; W265-F268 HydrophobicContact CH2-CD1 4.23Å; W265-F268 AromaticContact CH2-CE1 3.98Å; W265-F268 HydrophobicContact CH2-CE1 3.98Å; W265-F268 AromaticContact CZ3-CD1 3.72Å; W265-F268 HydrophobicContact CZ3-CD1 3.72Å; W265-F268 AromaticContact CZ3-CE1 3.76Å; W265-F268 HydrophobicContact CZ3-CE1 3.76Å; W265-F268 PolarHBondContact O-N 3.13Å; F268-E270 VanDerWaalsContact C-N 3.27Å; F268-E270 PolarHBondContact O-N 3.05Å; F268-L271 WeakPolarHBondContact O-CB 3.44Å; F268-L271 PolarHBondContact O-N 3.32Å
269	M	98.6	Very high	96.3	Very high	16 Å²	16	61.6 Å²	61.6	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-30.3	179.5	-67.6	-61.4	-70.7	0	0	112.6	D157 T160 A161 W265 A266 E267 L271 R273	D157-M269 HydrophobicContact CB-CE 4.18Å; T160-M269 HydrophobicContact CG2-CE 3.78Å; T160-M269 VanDerWaalsContact CG2-O 3.27Å; T160-M269 WeakPolarHBondContact CG2-O 3.14Å; A161-M269 HydrophobicContact CB-SD 4.08Å; W265-M269 HydrophobicContact CD2-CG 4.2Å; W265-M269 HydrophobicContact CG-CG 4.33Å; W265-M269 HydrophobicContact CH2-SD 4.39Å; W265-M269 HydrophobicContact CZ2-CG 4.24Å; W265-M269 HydrophobicContact CZ2-SD 3.83Å; W265-M269 WeakPolarHBondContact O-CB 3.49Å; W265-M269 VanDerWaalsContact O-CG 3.3Å; W265-M269 WeakPolarHBondContact O-CG 3.35Å; W265-M269 PolarHBondContact O-N 3.17Å; A266-M269 PolarHBondContact O-N 3.16Å; E267-M269 PolarHBondContact O-N 3.3Å; M269-L271 VanDerWaalsContact C-N 3.34Å; M269-R273 PolarHBondContact O-N 2.83Å
270	E	98.3	Very high	96.5	Very high	92 Å²	92	57.7 Å²	57.7	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-68.2	-32.6	177.4	-166.9	57.3	-148.9	0	0	112.8	A266 E267 F268 G272 R273	A266-E270 WeakPolarHBondContact O-CB 3.3Å; A266-E270 PolarHBondContact O-N 2.79Å; E267-E270 PolarHBondContact O-N 3.21Å; F268-E270 VanDerWaalsContact C-N 3.27Å; F268-E270 PolarHBondContact O-N 3.05Å; E270-G272 VanDerWaalsContact C-N 3.29Å; E270-G272 PolarHBondContact O-N 3.39Å; E270-R273 PolarHBondContact O-N 3.34Å; E270-R273 IonicContact OE1-NE 3.78Å; E270-R273 IonicContact OE2-CZ 3.88Å; E270-R273 IonicContact OE2-NE 3.16Å; E270-R273 PolarHBondContact OE2-NE 2.91Å; E270-R273 IonicContact OE2-NH2 3.12Å; E270-R273 PolarHBondContact OE2-NH2 3.21Å
271	L	97.3	Very high	96.7	Very high	50 Å²	50	54.4 Å²	54.4	26%	0.262	30%	0.3	S	S	.	.	H	α-helix	trans	-53.7	-46.3	179.2	-68.5	171.6	0	0	0	112	K167 L168 Y263 E267 F268 M269 D275	K167-L271 HydrophobicContact CD-CB 4.18Å; K167-L271 WeakPolarHBondContact CD-O 3.38Å; K167-L271 PolarHBondContact NZ-O 3.01Å; L168-L271 HydrophobicContact CD1-CD1 4.1Å; L168-L271 HydrophobicContact CD2-CD1 3.62Å; L168-L271 HydrophobicContact CG-CD1 3.78Å; Y263-L271 HydrophobicContact CD1-CD1 4.36Å; Y263-L271 HydrophobicContact CE1-CD1 4.26Å; E267-L271 WeakPolarHBondContact O-CG 3.48Å; E267-L271 PolarHBondContact O-N 3.46Å; F268-L271 WeakPolarHBondContact O-CB 3.44Å; F268-L271 PolarHBondContact O-N 3.32Å; M269-L271 VanDerWaalsContact C-N 3.34Å; L271-D275 VanDerWaalsContact O-OD2 3.13Å
272	G	96.3	Very high	96.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-92.6	-8.9	-177	0	0	0	0	0	115	K163 S164 E270 N274 D275	K163-G272 WeakPolarHBondContact CE-O 3.49Å; K163-G272 PolarHBondContact NZ-O 2.84Å; S164-G272 WeakPolarHBondContact OG-CA 3.36Å; S164-G272 PolarHBondContact OG-N 2.94Å; E270-G272 VanDerWaalsContact C-N 3.29Å; E270-G272 PolarHBondContact O-N 3.39Å; G272-N274 PolarHBondContact O-N 2.96Å; G272-D275 PolarHBondContact O-N 2.92Å
273	R	95.3	Very high	96.8	Very high	138 Å²	138	57.2 Å²	57.2	52%	0.521	32%	0.324	S	S	.	.	H	α-helix	trans	-56.6	-47.3	-169.9	-174.9	-174	-62.2	-81.3	-3.2	113	M269 E270	M269-R273 PolarHBondContact O-N 2.83Å; E270-R273 PolarHBondContact O-N 3.34Å; E270-R273 IonicContact OE1-NE 3.78Å; E270-R273 IonicContact OE2-CZ 3.88Å; E270-R273 IonicContact OE2-NE 3.16Å; E270-R273 PolarHBondContact OE2-NE 2.91Å; E270-R273 IonicContact OE2-NH2 3.12Å; E270-R273 PolarHBondContact OE2-NH2 3.21Å
274	N	91.4	Very high	96.8	Very high	133 Å²	133	54.8 Å²	54.8	71%	0.711	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	10.1	-174.3	-60.9	-46.4	0	0	0	113.2	G272	G272-N274 PolarHBondContact O-N 2.96Å
275	D	90.9	Very high	96.8	Very high	38 Å²	38	57.5 Å²	57.5	20%	0.203	33%	0.334	C	S	.	.	S	Bend	trans	-75.9	145.3	178.7	-78.3	-18.3	0	0	0	112	K163 K167 L271 G272	K163-D275 HydrophobicContact CB-CB 4.41Å; K163-D275 HydrophobicContact CD-CB 3.94Å; K163-D275 PolarHBondContact NZ-O 2.92Å; K167-D275 WeakPolarHBondContact CD-OD2 3.47Å; K167-D275 WeakPolarHBondContact CE-OD1 3.44Å; K167-D275 WeakPolarHBondContact CE-OD2 3.46Å; K167-D275 IonicContact NZ-OD1 3.55Å; K167-D275 PolarHBondContact NZ-OD1 3.39Å; K167-D275 IonicContact NZ-OD2 3.97Å; K167-D275 PolarHBondContact NZ-OD2 2.61Å; L271-D275 VanDerWaalsContact O-OD2 3.13Å; G272-D275 PolarHBondContact O-N 2.92Å
276	P	92.7	Very high	96.7	Very high	94 Å²	94	58.6 Å²	58.6	61%	0.61	35%	0.347	S	S	*	.			trans	-62.9	144.1	175.8	27.8	-34.2	0	0	0	110.8	P279	P276-P279 WeakPolarHBondContact O-CD 3.31Å
277	D	94.4	Very high	96.8	Very high	72 Å²	72	55.4 Å²	55.4	39%	0.385	32%	0.32	S	S	.	.	S	Bend	trans	-77	-22.3	-177.4	-74.6	-15.8	0	0	0	113.4	R159 K163 L280 D281	R159-D277 IonicContact NH2-OD2 3.02Å; K163-D277 WeakPolarHBondContact CE-OD1 3.44Å; K163-D277 IonicContact NZ-OD1 2.75Å; K163-D277 PolarHBondContact NZ-OD1 3.24Å; D277-L280 PolarHBondContact O-N 3.48Å; D277-D281 PolarHBondContact O-N 3.42Å
278	G	97.4	Very high	96.7	Very high	48 Å²	48	55.5 Å²	55.5	50%	0.495	32%	0.319	S	S	.	.	H	α-helix	trans	-50.8	-49	-174.4	0	0	0	0	0	115.6	L280 D281 A282	G278-L280 PolarHBondContact O-N 3.36Å; G278-D281 PolarHBondContact O-N 2.89Å; G278-A282 PolarHBondContact O-N 3.35Å
279	P	97.1	Very high	96.7	Very high	79 Å²	79	56.3 Å²	56.3	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-60.7	-40.8	176.4	-26.1	35.7	0	0	0	113.7	P276 I283	P276-P279 WeakPolarHBondContact O-CD 3.31Å; P279-I283 WeakPolarHBondContact O-CG1 3.47Å; P279-I283 PolarHBondContact O-N 3.23Å
280	L	98.4	Very high	96.6	Very high	1 Å²	1	56 Å²	56	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-43.5	176.6	174.7	63.3	0	0	0	110.8	R159 A162 K163 L166 L195 D277 G278 A282 I283 I284	R159-L280 HydrophobicContact CB-CD2 4.03Å; R159-L280 HydrophobicContact CG-CD2 4.26Å; A162-L280 HydrophobicContact CB-CD1 3.68Å; A162-L280 HydrophobicContact CB-CD2 3.97Å; K163-L280 HydrophobicContact CG-CB 4.12Å; K163-L280 HydrophobicContact CG-CD2 3.88Å; L166-L280 HydrophobicContact CD1-CB 4.42Å; L166-L280 HydrophobicContact CD1-CD1 4.24Å; L195-L280 HydrophobicContact CB-CD1 4.43Å; L195-L280 WeakPolarHBondContact O-CD1 3.42Å; D277-L280 PolarHBondContact O-N 3.48Å; G278-L280 PolarHBondContact O-N 3.36Å; L280-A282 VanDerWaalsContact C-N 3.3Å; L280-A282 PolarHBondContact O-N 3.1Å; L280-I283 WeakPolarHBondContact O-CB 3.4Å; L280-I283 PolarHBondContact O-N 3.29Å; L280-I283 VanDerWaalsContact O-N 3.12Å; L280-I284 HydrophobicContact CD1-CD1 3.97Å; L280-I284 HydrophobicContact CD1-CG1 4.1Å; L280-I284 HydrophobicContact CD2-CD1 4.22Å; L280-I284 HydrophobicContact CG-CD1 3.73Å; L280-I284 HydrophobicContact CG-CG1 4.29Å; L280-I284 WeakPolarHBondContact O-CG1 3.25Å; L280-I284 PolarHBondContact O-N 2.96Å
281	D	98.5	Very high	96.6	Very high	59 Å²	59	52.2 Å²	52.2	32%	0.316	31%	0.306	S	S	.	.	H	α-helix	trans	-64	-35.6	-179.6	-71.3	-29.4	0	0	0	112.5	R159 D277 G278 I284 S285	R159-D281 IonicContact CZ-OD1 3.78Å; R159-D281 VanDerWaalsContact CZ-OD1 3.25Å; R159-D281 IonicContact NH1-OD1 3.81Å; R159-D281 PolarHBondContact NH1-OD1 2.88Å; R159-D281 IonicContact NH2-OD1 3.24Å; R159-D281 PolarHBondContact NH2-OD1 2.86Å; R159-D281 IonicContact NH2-OD2 3.99Å; R159-D281 PolarHBondContact NH2-OD2 2.85Å; D277-D281 PolarHBondContact O-N 3.42Å; G278-D281 PolarHBondContact O-N 2.89Å; D281-I284 PolarHBondContact O-N 3.33Å; D281-S285 VanDerWaalsContact O-CB 3.26Å; D281-S285 WeakPolarHBondContact O-CB 3.42Å; D281-S285 PolarHBondContact O-N 3.35Å; D281-S285 PolarHBondContact O-OG 3.17Å
282	A	98.3	Very high	96.7	Very high	64 Å²	64	50 Å²	50	53%	0.529	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-42.5	172.4	0	0	0	0	0	111.7	G278 L280 S286	G278-A282 PolarHBondContact O-N 3.35Å; L280-A282 VanDerWaalsContact C-N 3.3Å; L280-A282 PolarHBondContact O-N 3.1Å; A282-S286 PolarHBondContact O-N 3.41Å
283	I	98.3	Very high	96.8	Very high	37 Å²	37	50 Å²	50	19%	0.19	29%	0.294	C	S	.	.	H	α-helix	trans	-63.5	-52.5	175.9	-71.6	172.9	0	0	0	110.4	L166 R172 P279 L280 S285 S286 Q287	L166-I283 HydrophobicContact CD1-CD1 3.7Å; L166-I283 HydrophobicContact CD2-CD1 3.48Å; L166-I283 VanDerWaalsContact CD2-CD1 3.48Å; L166-I283 HydrophobicContact CG-CD1 4.25Å; R172-I283 PolarHBondContact NH1-O 3.46Å; P279-I283 WeakPolarHBondContact O-CG1 3.47Å; P279-I283 PolarHBondContact O-N 3.23Å; L280-I283 WeakPolarHBondContact O-CB 3.4Å; L280-I283 PolarHBondContact O-N 3.29Å; L280-I283 VanDerWaalsContact O-N 3.12Å; I283-S285 VanDerWaalsContact C-N 3.28Å; I283-S285 PolarHBondContact O-N 2.87Å; I283-S286 PolarHBondContact O-N 3.45Å; I283-S286 VanDerWaalsContact O-N 3.09Å; I283-S286 PolarHBondContact O-OG 3.33Å; I283-Q287 PolarHBondContact O-N 3.27Å
284	I	98.6	Very high	97	Very high	11 Å²	11	43.4 Å²	43.4	6%	0.056	27%	0.27	C	S	.	.	H	α-helix	trans	-54.6	-46.2	178.9	-73.5	173.3	0	0	0	110.9	N122 L195 L280 D281 S286 Q287	N122-I284 HydrophobicContact CB-CG2 3.84Å; N122-I284 VanDerWaalsContact CG-CG2 3.44Å; N122-I284 WeakPolarHBondContact ND2-CG2 3.27Å; L195-I284 HydrophobicContact CB-CD1 4.28Å; L195-I284 HydrophobicContact CB-CG1 4.41Å; L195-I284 HydrophobicContact CD2-CD1 4.17Å; L195-I284 HydrophobicContact CD2-CG1 4.4Å; L195-I284 WeakPolarHBondContact O-CG1 3.42Å; L280-I284 HydrophobicContact CD1-CD1 3.97Å; L280-I284 HydrophobicContact CD1-CG1 4.1Å; L280-I284 HydrophobicContact CD2-CD1 4.22Å; L280-I284 HydrophobicContact CG-CD1 3.73Å; L280-I284 HydrophobicContact CG-CG1 4.29Å; L280-I284 WeakPolarHBondContact O-CG1 3.25Å; L280-I284 PolarHBondContact O-N 2.96Å; D281-I284 PolarHBondContact O-N 3.33Å; I284-S286 PolarHBondContact O-N 2.86Å; I284-Q287 WeakPolarHBondContact O-CB 3.43Å; I284-Q287 PolarHBondContact O-N 2.81Å
285	S	98.1	Very high	97.3	Very high	86 Å²	86	37.1 Å²	37.1	60%	0.601	24%	0.236	S	C	*	.	H	α-helix	trans	-67.8	-23	-177.7	-57.1	0	0	0	0	113.3	D281 I283	D281-S285 VanDerWaalsContact O-CB 3.26Å; D281-S285 WeakPolarHBondContact O-CB 3.42Å; D281-S285 PolarHBondContact O-N 3.35Å; D281-S285 PolarHBondContact O-OG 3.17Å; I283-S285 VanDerWaalsContact C-N 3.28Å; I283-S285 PolarHBondContact O-N 2.87Å
286	S	97.7	Very high	97.6	Very high	61 Å²	61	35.4 Å²	35.4	43%	0.427	23%	0.227	S	C	.	.	H	α-helix	trans	-83.6	-11.7	176.8	72.8	0	0	0	0	114.1	R172 A282 I283 I284	R172-S286 PolarHBondContact NH1-OG 2.8Å; A282-S286 PolarHBondContact O-N 3.41Å; I283-S286 PolarHBondContact O-N 3.45Å; I283-S286 VanDerWaalsContact O-N 3.09Å; I283-S286 PolarHBondContact O-OG 3.33Å; I284-S286 PolarHBondContact O-N 2.86Å
287	Q	98.3	Very high	97.5	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.028	20%	0.199	C	C	.	.			trans	-74.5	145.6	179.3	-61.8	-177.2	-66.7	0	0	111	T120 I194 I283 I284	T120-Q287 HydrophobicContact CG2-CB 4.37Å; I194-Q287 PolarHBondContact O-NE2 2.96Å; I283-Q287 PolarHBondContact O-N 3.27Å; I284-Q287 WeakPolarHBondContact O-CB 3.43Å; I284-Q287 PolarHBondContact O-N 2.81Å
288	K	97.5	Very high	96.7	Very high	80 Å²	80	29.1 Å²	29.1	35%	0.348	19%	0.188	S	C	.	.			trans	-120	148.5	179.2	-56.3	177	-171	165.6	0	111.7	E104 N290 Q291 H312	E104-K288 WeakPolarHBondContact OE1-CD 3.38Å; E104-K288 WeakPolarHBondContact OE1-CE 3.28Å; E104-K288 IonicContact OE1-NZ 2.66Å; E104-K288 PolarHBondContact OE1-NZ 2.76Å; E104-K288 IonicContact OE2-NZ 3.86Å; E104-K288 PolarHBondContact OE2-NZ 2.95Å; K288-N290 VanDerWaalsContact CB-OD1 3.26Å; K288-N290 WeakPolarHBondContact CB-OD1 3.27Å; K288-N290 PolarHBondContact O-N 3.47Å; K288-N290 VanDerWaalsContact O-N 3.12Å; K288-Q291 HydrophobicContact CB-CG 4.06Å; K288-Q291 VanDerWaalsContact N-OE1 3.08Å; K288-Q291 PolarHBondContact O-N 3.33Å; K288-Q291 VanDerWaalsContact O-N 3.12Å; K288-H312 PolarHBondContact O-CD2 3.05Å; K288-H312 VanDerWaalsContact O-CD2 3.31Å
289	P	97.4	Very high	95	Very high	17 Å²	17	30.3 Å²	30.3	11%	0.11	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-33.4	178.3	-28.2	35.4	0	0	0	114.2	L107 A118 T120 S311 H312 D313	L107-P289 HydrophobicContact CD1-CB 4.46Å; A118-P289 HydrophobicContact CB-CB 3.7Å; A118-P289 HydrophobicContact CB-CG 3.97Å; A118-P289 WeakPolarHBondContact O-CG 3.3Å; T120-P289 HydrophobicContact CG2-CG 4.24Å; P289-S311 WeakPolarHBondContact O-CB 3.37Å; P289-H312 PolarHBondContact O-N 2.97Å; P289-D313 HydrophobicContact CB-CB 4.07Å; P289-D313 VanDerWaalsContact O-CB 3.3Å; P289-D313 WeakPolarHBondContact O-CB 3.4Å; P289-D313 PolarHBondContact O-N 3.01Å
290	N	97.4	Very high	92.9	Very high	9 Å²	9	28.4 Å²	28.4	5%	0.048	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	10.1	-176.2	67.5	-28	0	0	0	115	V105 L107 K288 M547	V105-N290 HydrophobicContact CG2-CB 4.4Å; V105-N290 PolarHBondContact N-O 3.04Å; V105-N290 VanDerWaalsContact O-CB 3.26Å; V105-N290 WeakPolarHBondContact O-CB 3.5Å; V105-N290 PolarHBondContact O-ND2 2.86Å; V105-N290 VanDerWaalsContact O-ND2 3.08Å; L107-N290 HydrophobicContact CD1-CB 4.31Å; L107-N290 HydrophobicContact CD2-CB 3.77Å; L107-N290 HydrophobicContact CG-CB 3.9Å; K288-N290 VanDerWaalsContact CB-OD1 3.26Å; K288-N290 WeakPolarHBondContact CB-OD1 3.27Å; K288-N290 PolarHBondContact O-N 3.47Å; K288-N290 VanDerWaalsContact O-N 3.12Å; N290-M547 WeakPolarHBondContact O-CE 3.45Å
291	Q	98.4	Very high	90.1	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.065	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-96.3	150.8	173.4	-71.6	175.5	-23	0	0	111.2	E104 F173 K288 S311 H312	E104-Q291 HydrophobicContact CG-CG 3.57Å; E104-Q291 PolarHBondContact OE1-NE2 2.73Å; F173-Q291 HydrophobicContact CE1-CB 4.48Å; K288-Q291 HydrophobicContact CB-CG 4.06Å; K288-Q291 VanDerWaalsContact N-OE1 3.08Å; K288-Q291 PolarHBondContact O-N 3.33Å; K288-Q291 VanDerWaalsContact O-N 3.12Å; Q291-S311 CarbonylContact O-C 3.52Å; Q291-S311 WeakPolarHBondContact O-CA 3.39Å; Q291-S311 WeakPolarHBondContact O-CB 3.49Å; Q291-H312 PolarHBondContact O-CD2 2.91Å; Q291-H312 PolarHBondContact O-N 3.03Å; Q291-H312 VanDerWaalsContact O-N 3.08Å
292	C	98.6	Very high	87.5	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.02	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.8	176.4	-174	0	0	0	0	110.7	L199 M547	L199-C292 HydrophobicContact CD2-CB 4.2Å; L199-C292 WeakPolarHBondContact CD2-O 3.38Å; C292-M547 WeakPolarHBondContact CA-SD 3.33Å; C292-M547 HydrophobicContact CB-CE 4.11Å; C292-M547 HydrophobicContact CB-SD 3.6Å; C292-M547 VanDerWaalsContact CB-SD 3.6Å; C292-M547 PolarHBondContact N-SD 3.17Å; C292-M547 VanDerWaalsContact N-SD 3.42Å
293	C	98.7	Very high	85.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	-11.9	173.4	69.8	0	0	0	0	113.3	I194 A200 L310	I194-C293 HydrophobicContact CG1-CB 4.23Å; I194-C293 WeakPolarHBondContact CG1-O 3.37Å; I194-C293 HydrophobicContact CG2-CB 3.99Å; A200-C293 PolarHBondContact N-O 3.5Å; C293-L310 PolarHBondContact N-O 2.99Å
294	M	98.5	Very high	83.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144	-171.9	180	-175.9	-68.7	0	0	112.1	I194 A200 I296 L310 I315 I347 Q350 W355	I194-M294 HydrophobicContact CD1-CE 4.27Å; A200-M294 WeakPolarHBondContact O-CA 3.09Å; M294-I296 HydrophobicContact CG-CD1 4.18Å; M294-I296 HydrophobicContact CG-CG1 4.33Å; M294-I296 HydrophobicContact SD-CD1 3.86Å; M294-I296 HydrophobicContact SD-CG1 4.15Å; M294-L310 HydrophobicContact CB-CB 4.34Å; M294-L310 PolarHBondContact N-O 3.37Å; M294-L310 PolarHBondContact O-N 3.3Å; M294-L310 HydrophobicContact SD-CD1 4.14Å; M294-I315 HydrophobicContact CE-CD1 4.3Å; M294-I315 HydrophobicContact SD-CD1 3.97Å; M294-I347 HydrophobicContact SD-CD1 4.39Å; M294-Q350 PolarHBondContact SD-OE1 3.38Å; M294-W355 HydrophobicContact CE-CH2 4.48Å; M294-W355 HydrophobicContact CE-CZ2 3.44Å; M294-W355 VanDerWaalsContact CE-CZ2 3.44Å
295	L	98.6	Very high	83.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.7	171.7	-58.1	175.2	0	0	0	110.4	L199 A200 V201 Y297 V308 M309 L550	L199-L295 HydrophobicContact CB-CD1 4.44Å; L199-L295 HydrophobicContact CB-CG 4.35Å; L199-L295 HydrophobicContact CD1-CD1 3.8Å; L199-L295 HydrophobicContact CD1-CD2 4.3Å; L199-L295 HydrophobicContact CD1-CG 3.99Å; A200-L295 PolarHBondContact O-N 3.32Å; V201-L295 HydrophobicContact CG1-CB 4.44Å; V201-L295 HydrophobicContact CG2-CB 4.08Å; V201-L295 HydrophobicContact CG2-CD1 3.91Å; V201-L295 HydrophobicContact CG2-CG 4.28Å; L295-Y297 HydrophobicContact CB-CD2 4.48Å; L295-Y297 HydrophobicContact CB-CE2 4Å; L295-Y297 HydrophobicContact CD1-CE2 4.36Å; L295-V308 WeakPolarHBondContact CA-O 3.42Å; L295-M309 HydrophobicContact CD2-CB 4.36Å; L295-M309 HydrophobicContact CD2-CG 3.65Å; L295-L550 HydrophobicContact CD1-CD2 3.67Å; L295-L550 HydrophobicContact CD2-CB 4.38Å; L295-L550 HydrophobicContact CD2-CD2 4.15Å
296	I	97.1	Very high	82.7	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.1	170.9	-60.2	-64	0	0	0	108.9	M294 T298 V308 L310 I347	M294-I296 HydrophobicContact CG-CD1 4.18Å; M294-I296 HydrophobicContact CG-CG1 4.33Å; M294-I296 HydrophobicContact SD-CD1 3.86Å; M294-I296 HydrophobicContact SD-CG1 4.15Å; I296-T298 HydrophobicContact CG2-CG2 4.4Å; I296-V308 HydrophobicContact CB-CB 4.3Å; I296-V308 PolarHBondContact N-O 3.35Å; I296-V308 VanDerWaalsContact O-CB 3.25Å; I296-V308 WeakPolarHBondContact O-CB 3.48Å; I296-V308 WeakPolarHBondContact O-CG2 3.48Å; I296-V308 PolarHBondContact O-N 2.87Å; I296-L310 HydrophobicContact CG1-CD1 3.73Å; I296-I347 HydrophobicContact CG1-CB 4.28Å
297	Y	90.1	Very high	82.6	Confident	10 Å²	10	32.4 Å²	32.4	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	119	178.8	-78.1	-94.9	0	0	0	111.6	V201 Y214 V215 N218 S219 L295 P305 K306	V201-Y297 HydrophobicContact CG1-CD2 3.93Å; V201-Y297 HydrophobicContact CG1-CE2 3.56Å; Y214-Y297 HydrophobicContact CE1-CD1 4.41Å; Y214-Y297 HydrophobicContact CE1-CE1 4.22Å; V215-Y297 HydrophobicContact CG1-CD2 3.71Å; V215-Y297 HydrophobicContact CG1-CE1 4.46Å; V215-Y297 HydrophobicContact CG1-CE2 3.61Å; V215-Y297 HydrophobicContact CG1-CG 4.19Å; V215-Y297 HydrophobicContact CG2-CD1 3.95Å; V215-Y297 HydrophobicContact CG2-CD2 4.32Å; V215-Y297 HydrophobicContact CG2-CE1 4.25Å; V215-Y297 HydrophobicContact CG2-CG 3.94Å; V215-Y297 PolarHBondContact O-OH 3.49Å; N218-Y297 HydrophobicContact CB-CE1 4.27Å; N218-Y297 WeakPolarHBondContact CB-OH 3.33Å; N218-Y297 WeakPolarHBondContact OD1-CE1 3.31Å; N218-Y297 PolarHBondContact OD1-OH 3.31Å; S219-Y297 PolarHBondContact N-OH 3.28Å; S219-Y297 VanDerWaalsContact N-OH 3.13Å; L295-Y297 HydrophobicContact CB-CD2 4.48Å; L295-Y297 HydrophobicContact CB-CE2 4Å; L295-Y297 HydrophobicContact CD1-CE2 4.36Å; Y297-P305 HydrophobicContact CD1-CB 4.01Å; Y297-K306 WeakPolarHBondContact CA-O 3.3Å
298	T	78.1	Confident	82.6	Confident	24 Å²	24	32.1 Å²	32.1	15%	0.147	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.5	178	64.3	0	0	0	0	111.1	I296 G300 P305 K306 V308 S497	I296-T298 HydrophobicContact CG2-CG2 4.4Å; T298-G300 PolarHBondContact O-N 3.04Å; T298-G300 VanDerWaalsContact O-N 3.16Å; T298-P305 CarbonylContact O-C 3.5Å; T298-P305 WeakPolarHBondContact O-CA 3.41Å; T298-K306 PolarHBondContact N-O 3.13Å; T298-K306 PolarHBondContact O-N 3.39Å; T298-V308 HydrophobicContact CG2-CG2 3.88Å; T298-S497 VanDerWaalsContact CG2-CB 3.42Å; T298-S497 WeakPolarHBondContact CG2-OG 3.31Å
299	S	61.3	Low	82.6	Confident	74 Å²	74	28.3 Å²	28.3	52%	0.517	18%	0.182	S	C	.	.			trans	-80	91.8	166	44.4	0	0	0	0	107.8
300	G	52.3	Low	82.7	Confident	38 Å²	38	27.5 Å²	27.5	39%	0.392	18%	0.177	S	C	.	.			trans	-59.2	171.7	169.5	0	0	0	0	0	111.6	T298 T302	T298-G300 PolarHBondContact O-N 3.04Å; T298-G300 VanDerWaalsContact O-N 3.16Å; G300-T302 PolarHBondContact O-N 2.95Å; G300-T302 VanDerWaalsContact O-N 3.17Å
301	T	40.9	Very low	82.8	Confident	39 Å²	39	27.1 Å²	27.1	24%	0.239	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.5	-174.7	46.9	0	0	0	0	114.2	P725	T301-P725 WeakPolarHBondContact O-CG 3.47Å
302	T	42.7	Very low	82.8	Confident	114 Å²	114	26.5 Å²	26.5	70%	0.699	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-143.5	25.5	-166.2	61.7	0	0	0	0	116.6	G300	G300-T302 PolarHBondContact O-N 2.95Å; G300-T302 VanDerWaalsContact O-N 3.17Å
303	G	56.8	Low	82.7	Confident	58 Å²	58	26.3 Å²	26.3	60%	0.598	17%	0.171	S	C	*	.	S	Bend	trans	-172.5	-169.5	-179.2	0	0	0	0	0	117.3
304	Q	65.8	Low	82.6	Confident	126 Å²	126	26.6 Å²	26.6	59%	0.589	17%	0.172	S	C	*	.	S	Bend	trans	-58.1	146.9	171.4	-70.4	-68.6	-3.9	0	0	110.6	Y214	Y214-Q304 HydrophobicContact CD2-CG 4.45Å; Y214-Q304 HydrophobicContact CE1-CB 4.32Å; Y214-Q304 HydrophobicContact CE2-CB 3.81Å; Y214-Q304 HydrophobicContact CE2-CG 4.02Å
305	P	81.3	Confident	82.6	Confident	27 Å²	27	26.6 Å²	26.6	18%	0.175	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-56.8	142.8	179.8	-25	34.4	0	0	0	112.7	Y214 Y297 T298	Y214-P305 HydrophobicContact CD1-CB 4.48Å; Y214-P305 HydrophobicContact CD1-CG 4.35Å; Y214-P305 HydrophobicContact CE1-CB 4.08Å; Y214-P305 HydrophobicContact CE1-CG 4.32Å; Y214-P305 WeakPolarHBondContact CE1-O 3.46Å; Y214-P305 VanDerWaalsContact CZ-O 3.3Å; Y214-P305 PolarHBondContact OH-O 3.32Å; Y297-P305 HydrophobicContact CD1-CB 4.01Å; T298-P305 CarbonylContact O-C 3.5Å; T298-P305 WeakPolarHBondContact O-CA 3.41Å
306	K	88.6	Confident	82.6	Confident	40 Å²	40	26.8 Å²	26.8	17%	0.174	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.2	176.3	-55.5	-179.3	-177.6	-179.5	0	110.2	Y297 T298 V308 Y549 M552	Y297-K306 WeakPolarHBondContact CA-O 3.3Å; T298-K306 PolarHBondContact N-O 3.13Å; T298-K306 PolarHBondContact O-N 3.39Å; K306-V308 PolarHBondContact O-N 2.97Å; K306-Y549 HydrophobicContact CB-CD1 3.51Å; K306-Y549 HydrophobicContact CB-CE1 3.76Å; K306-Y549 HydrophobicContact CB-CG 4.26Å; K306-Y549 HydrophobicContact CD-CD1 3.81Å; K306-Y549 HydrophobicContact CD-CD2 4.24Å; K306-Y549 HydrophobicContact CD-CE1 3.57Å; K306-Y549 HydrophobicContact CD-CE2 4.03Å; K306-Y549 HydrophobicContact CD-CG 4.11Å; K306-Y549 HydrophobicContact CG-CD1 4.32Å; K306-Y549 HydrophobicContact CG-CE1 4.37Å; K306-M552 HydrophobicContact CB-SD 4.28Å; K306-M552 HydrophobicContact CG-SD 3.99Å
307	G	95.5	Very high	82.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	99.6	174.1	0	0	0	0	0	111.1	M309 Y549 L550	G307-M309 PolarHBondContact O-N 3.27Å; G307-Y549 CarbonylContact O-C 3.58Å; G307-Y549 WeakPolarHBondContact O-CA 3.33Å; G307-L550 PolarHBondContact O-N 3.48Å
308	V	98.3	Very high	82.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	115.3	174	177	0	0	0	0	108.4	L295 I296 T298 K306 L310 S497 E498 F546 Y549	L295-V308 WeakPolarHBondContact CA-O 3.42Å; I296-V308 HydrophobicContact CB-CB 4.3Å; I296-V308 PolarHBondContact N-O 3.35Å; I296-V308 VanDerWaalsContact O-CB 3.25Å; I296-V308 WeakPolarHBondContact O-CB 3.48Å; I296-V308 WeakPolarHBondContact O-CG2 3.48Å; I296-V308 PolarHBondContact O-N 2.87Å; T298-V308 HydrophobicContact CG2-CG2 3.88Å; K306-V308 PolarHBondContact O-N 2.97Å; V308-L310 HydrophobicContact CG1-CD2 3.67Å; V308-L310 HydrophobicContact CG1-CG 4.25Å; V308-S497 WeakPolarHBondContact CG1-O 3.28Å; V308-E498 HydrophobicContact CG1-CG 4.46Å; V308-E498 HydrophobicContact CG2-CG 4.1Å; V308-F546 HydrophobicContact CB-CD2 4.35Å; V308-F546 HydrophobicContact CG1-CB 3.89Å; V308-F546 HydrophobicContact CG1-CD2 3.57Å; V308-F546 HydrophobicContact CG1-CG 4.15Å; V308-Y549 HydrophobicContact CG2-CD1 4.13Å; V308-Y549 HydrophobicContact CG2-CE1 3.81Å
309	M	98.8	Very high	83.7	Confident	0 Å²	0	26 Å²	26	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.5	178.5	-63.9	-165.8	-55.8	0	0	111	T98 T99 L295 G307 F546 M547 G548 L550	T98-M309 HydrophobicContact CG2-CE 4.11Å; T98-M309 WeakPolarHBondContact O-CE 3.32Å; T99-M309 VanDerWaalsContact CA-CE 3.45Å; L295-M309 HydrophobicContact CD2-CB 4.36Å; L295-M309 HydrophobicContact CD2-CG 3.65Å; G307-M309 PolarHBondContact O-N 3.27Å; M309-F546 WeakPolarHBondContact O-CB 3.19Å; M309-M547 HydrophobicContact CB-CB 4.01Å; M309-M547 HydrophobicContact CE-CB 4.26Å; M309-M547 PolarHBondContact O-N 3.18Å; M309-G548 WeakPolarHBondContact CB-O 3.31Å; M309-G548 PolarHBondContact N-O 3.2Å; M309-L550 HydrophobicContact CG-CB 3.9Å; M309-L550 HydrophobicContact SD-CB 4.03Å; M309-L550 HydrophobicContact SD-CD1 3.78Å
310	L	98.8	Very high	85.3	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.5	177.9	-55.8	-176.5	0	0	0	109.9	C293 M294 I296 V308 N314 I315 I347 T500 F546	C293-L310 PolarHBondContact N-O 2.99Å; M294-L310 HydrophobicContact CB-CB 4.34Å; M294-L310 PolarHBondContact N-O 3.37Å; M294-L310 PolarHBondContact O-N 3.3Å; M294-L310 HydrophobicContact SD-CD1 4.14Å; I296-L310 HydrophobicContact CG1-CD1 3.73Å; V308-L310 HydrophobicContact CG1-CD2 3.67Å; V308-L310 HydrophobicContact CG1-CG 4.25Å; L310-N314 HydrophobicContact CB-CB 4.49Å; L310-I315 HydrophobicContact CB-CD1 4.25Å; L310-I315 HydrophobicContact CD1-CD1 3.91Å; L310-I347 HydrophobicContact CD1-CD1 3.67Å; L310-I347 HydrophobicContact CD1-CG1 4.13Å; L310-T500 HydrophobicContact CD1-CG2 4.23Å; L310-T500 WeakPolarHBondContact CD2-OG1 3.47Å; L310-F546 HydrophobicContact CD2-CB 3.89Å
311	S	98.7	Very high	87.3	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	164	174.6	71.5	0	0	0	0	111.7	P289 Q291 D313 N314 I315 M547	P289-S311 WeakPolarHBondContact O-CB 3.37Å; Q291-S311 CarbonylContact O-C 3.52Å; Q291-S311 WeakPolarHBondContact O-CA 3.39Å; Q291-S311 WeakPolarHBondContact O-CB 3.49Å; S311-D313 PolarHBondContact O-N 2.8Å; S311-D313 PolarHBondContact OG-N 2.8Å; S311-N314 PolarHBondContact N-OD1 3.32Å; S311-N314 WeakPolarHBondContact O-CB 3.25Å; S311-N314 PolarHBondContact O-N 3.25Å; S311-N314 WeakPolarHBondContact OG-CB 3.41Å; S311-N314 PolarHBondContact OG-N 3.24Å; S311-N314 PolarHBondContact OG-OD1 3.37Å; S311-I315 PolarHBondContact O-N 3.26Å; S311-M547 VanDerWaalsContact CB-SD 3.59Å
312	H	98.5	Very high	89.8	Confident	1 Å²	1	20 Å²	20	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-56.3	-42.2	169.3	-69.3	-89.3	0	0	0	111.6	V121 I194 K288 P289 Q291 I315 T316	V121-H312 HydrophobicContact CG2-CB 4.36Å; V121-H312 WeakPolarHBondContact CG2-ND1 3.19Å; V121-H312 PolarHBondContact N-ND1 2.85Å; I194-H312 VanDerWaalsContact CG2-CE1 3.47Å; I194-H312 WeakPolarHBondContact CG2-CE1 3.38Å; K288-H312 PolarHBondContact O-CD2 3.05Å; K288-H312 VanDerWaalsContact O-CD2 3.31Å; P289-H312 PolarHBondContact O-N 2.97Å; Q291-H312 PolarHBondContact O-CD2 2.91Å; Q291-H312 PolarHBondContact O-N 3.03Å; Q291-H312 VanDerWaalsContact O-N 3.08Å; H312-I315 PolarHBondContact O-N 2.8Å; H312-T316 WeakPolarHBondContact O-CG2 3.33Å; H312-T316 PolarHBondContact O-N 2.57Å; H312-T316 PolarHBondContact O-OG1 3.11Å
313	D	97	Very high	92.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.3	-42.4	-179.5	-166.6	61.4	0	0	0	111.9	L107 A118 P289 S311 I315 T316 W317 R543	L107-D313 HydrophobicContact CD1-CB 4.18Å; L107-D313 HydrophobicContact CD2-CB 3.77Å; A118-D313 VanDerWaalsContact CA-OD1 3.3Å; A118-D313 WeakPolarHBondContact CA-OD1 3.27Å; A118-D313 WeakPolarHBondContact CB-OD1 3.12Å; P289-D313 HydrophobicContact CB-CB 4.07Å; P289-D313 VanDerWaalsContact O-CB 3.3Å; P289-D313 WeakPolarHBondContact O-CB 3.4Å; P289-D313 PolarHBondContact O-N 3.01Å; S311-D313 PolarHBondContact O-N 2.8Å; S311-D313 PolarHBondContact OG-N 2.8Å; D313-I315 PolarHBondContact O-N 2.95Å; D313-T316 PolarHBondContact O-N 2.92Å; D313-W317 WeakPolarHBondContact O-CB 3.36Å; D313-W317 PolarHBondContact O-N 3.29Å; D313-R543 IonicContact OD1-CZ 2.59Å; D313-R543 IonicContact OD1-NE 2.92Å; D313-R543 IonicContact OD1-NH2 2.93Å; D313-R543 PolarHBondContact OD1-NH2 2.85Å; D313-R543 IonicContact OD2-CZ 3.97Å; D313-R543 IonicContact OD2-NE 2.61Å; D313-R543 PolarHBondContact OD2-NE 2.69Å; D313-R543 IonicContact OD2-NH2 3.68Å; D313-R543 PolarHBondContact OD2-NH2 2.73Å
314	N	97.6	Very high	93.8	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.027	9%	0.087	C	C	.	.	H	α-helix	trans	-50.7	-47.8	174.4	-75	153.4	0	0	0	110.2	L310 S311 T318 T500 R543 V545	L310-N314 HydrophobicContact CB-CB 4.49Å; S311-N314 PolarHBondContact N-OD1 3.32Å; S311-N314 WeakPolarHBondContact O-CB 3.25Å; S311-N314 PolarHBondContact O-N 3.25Å; S311-N314 WeakPolarHBondContact OG-CB 3.41Å; S311-N314 PolarHBondContact OG-N 3.24Å; S311-N314 PolarHBondContact OG-OD1 3.37Å; N314-T318 WeakPolarHBondContact O-CB 3.39Å; N314-T318 PolarHBondContact O-N 3.19Å; N314-T318 PolarHBondContact O-OG1 2.87Å; N314-T500 HydrophobicContact CB-CG2 4.05Å; N314-T500 WeakPolarHBondContact CB-OG1 3.36Å; N314-T500 WeakPolarHBondContact O-CG2 3.47Å; N314-R543 PolarHBondContact ND2-O 2.9Å; N314-V545 PolarHBondContact ND2-O 3.17Å
315	I	98	Very high	95.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-69.1	-55	-179.6	-59.3	-63.3	0	0	0	111.2	V121 M294 L310 S311 H312 D313 W317 T318 A319 I347 M351 W355 T500	V121-I315 HydrophobicContact CG2-CB 4.48Å; V121-I315 HydrophobicContact CG2-CG2 4.38Å; M294-I315 HydrophobicContact CE-CD1 4.3Å; M294-I315 HydrophobicContact SD-CD1 3.97Å; L310-I315 HydrophobicContact CB-CD1 4.25Å; L310-I315 HydrophobicContact CD1-CD1 3.91Å; S311-I315 PolarHBondContact O-N 3.26Å; H312-I315 PolarHBondContact O-N 2.8Å; D313-I315 PolarHBondContact O-N 2.95Å; I315-W317 PolarHBondContact O-N 3.38Å; I315-T318 PolarHBondContact O-N 2.87Å; I315-A319 WeakPolarHBondContact O-CB 3.43Å; I315-A319 PolarHBondContact O-N 2.91Å; I315-A319 VanDerWaalsContact O-N 3.07Å; I315-I347 HydrophobicContact CD1-CD1 3.93Å; I315-M351 HydrophobicContact CD1-CE 4.15Å; I315-M351 HydrophobicContact CG2-CE 4.36Å; I315-W355 HydrophobicContact CG2-CB 4.04Å; I315-W355 HydrophobicContact CG2-CD2 3.35Å; I315-W355 HydrophobicContact CG2-CE3 3.81Å; I315-W355 HydrophobicContact CG2-CG 3.44Å; I315-W355 VanDerWaalsContact CG2-CG 3.44Å; I315-W355 HydrophobicContact CG2-CZ2 4.44Å; I315-W355 HydrophobicContact CG2-CZ3 4.49Å; I315-T500 HydrophobicContact CD1-CG2 3.82Å
316	T	97.4	Very high	95.5	Very high	5 Å²	5	12 Å²	12	3%	0.031	6%	0.064	C	C	.	.	H	α-helix	trans	-69	-37.2	-171.7	60.6	0	0	0	0	112.8	L119 V121 M124 H312 D313 A320	L119-T316 HydrophobicContact CB-CG2 4.34Å; L119-T316 PolarHBondContact O-OG1 3.18Å; V121-T316 HydrophobicContact CG2-CG2 4.3Å; M124-T316 HydrophobicContact CB-CG2 3.9Å; M124-T316 HydrophobicContact CE-CG2 4.02Å; M124-T316 HydrophobicContact SD-CG2 3.91Å; H312-T316 WeakPolarHBondContact O-CG2 3.33Å; H312-T316 PolarHBondContact O-N 2.57Å; H312-T316 PolarHBondContact O-OG1 3.11Å; D313-T316 PolarHBondContact O-N 2.92Å; T316-A320 WeakPolarHBondContact O-CB 3.39Å; T316-A320 PolarHBondContact O-N 2.91Å; T316-A320 VanDerWaalsContact O-N 3.15Å
317	W	95.9	Very high	95.5	Very high	16 Å²	16	16 Å²	16	6%	0.061	8%	0.083	C	C	.	.	H	α-helix	trans	-69.6	-47.2	178	-179.2	80.7	0	0	0	110.8	D313 I315 A319 A320 A321 S521 R543 H544	D313-W317 WeakPolarHBondContact O-CB 3.36Å; D313-W317 PolarHBondContact O-N 3.29Å; I315-W317 PolarHBondContact O-N 3.38Å; W317-A319 VanDerWaalsContact C-N 3.28Å; W317-A319 PolarHBondContact O-N 3.31Å; W317-A320 PolarHBondContact O-N 2.6Å; W317-A320 VanDerWaalsContact O-N 3.15Å; W317-A321 HydrophobicContact CD2-CB 4.19Å; W317-A321 HydrophobicContact CE3-CB 4.31Å; W317-A321 HydrophobicContact CH2-CB 4.06Å; W317-A321 HydrophobicContact CZ2-CB 3.92Å; W317-A321 HydrophobicContact CZ3-CB 4.24Å; W317-A321 VanDerWaalsContact O-CB 3.32Å; W317-A321 WeakPolarHBondContact O-CB 3.17Å; W317-A321 PolarHBondContact O-N 2.83Å; W317-S521 WeakPolarHBondContact CZ2-O 3.35Å; W317-R543 HydrophobicContact CB-CB 4.32Å; W317-R543 HydrophobicContact CD2-CB 3.54Å; W317-R543 HydrophobicContact CD2-CG 4.47Å; W317-R543 HydrophobicContact CE3-CB 3.79Å; W317-R543 HydrophobicContact CG-CB 3.79Å; W317-R543 HydrophobicContact CZ3-CB 4.38Å; W317-H544 HydrophobicContact CE3-CB 3.96Å; W317-H544 HydrophobicContact CZ3-CB 3.69Å; W317-H544 AromaticContact CZ3-CG 3.94Å; W317-H544 AromaticContact CZ3-ND1 3.88Å
318	T	96.5	Very high	95.2	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-61.2	-39.7	-179.7	-54.9	0	0	0	0	111.1	N314 I315 T322 M351 P502 H544	N314-T318 WeakPolarHBondContact O-CB 3.39Å; N314-T318 PolarHBondContact O-N 3.19Å; N314-T318 PolarHBondContact O-OG1 2.87Å; I315-T318 PolarHBondContact O-N 2.87Å; T318-T322 WeakPolarHBondContact O-CB 3.46Å; T318-T322 PolarHBondContact O-N 3.45Å; T318-T322 PolarHBondContact O-OG1 3.02Å; T318-M351 HydrophobicContact CG2-CE 4.42Å; T318-M351 HydrophobicContact CG2-CG 4.4Å; T318-M351 HydrophobicContact CG2-SD 4.23Å; T318-P502 HydrophobicContact CG2-CG 4.3Å; T318-H544 VanDerWaalsContact OG1-CB 3.27Å; T318-H544 WeakPolarHBondContact OG1-CB 3.45Å
319	A	96.6	Very high	94.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-46.4	175	0	0	0	0	0	112.5	M124 I315 W317 G323 M351 W355 I356 K359	M124-A319 HydrophobicContact SD-CB 4.42Å; I315-A319 WeakPolarHBondContact O-CB 3.43Å; I315-A319 PolarHBondContact O-N 2.91Å; I315-A319 VanDerWaalsContact O-N 3.07Å; W317-A319 VanDerWaalsContact C-N 3.28Å; W317-A319 PolarHBondContact O-N 3.31Å; A319-G323 PolarHBondContact O-N 3.4Å; A319-M351 HydrophobicContact CB-SD 3.97Å; A319-W355 HydrophobicContact CB-CB 3.97Å; A319-I356 HydrophobicContact CB-CG1 4.23Å; A319-K359 HydrophobicContact CB-CB 4.26Å
320	A	94.7	Very high	93.9	Very high	15 Å²	15	24.7 Å²	24.7	12%	0.124	12%	0.124	C	C	.	.	H	α-helix	trans	-66.9	-51	178.7	0	0	0	0	0	112.4	T316 W317 T322 G323 L324 K359	T316-A320 WeakPolarHBondContact O-CB 3.39Å; T316-A320 PolarHBondContact O-N 2.91Å; T316-A320 VanDerWaalsContact O-N 3.15Å; W317-A320 PolarHBondContact O-N 2.6Å; W317-A320 VanDerWaalsContact O-N 3.15Å; A320-T322 PolarHBondContact O-N 3.4Å; A320-G323 PolarHBondContact O-N 3.09Å; A320-L324 WeakPolarHBondContact O-CG 3.38Å; A320-L324 PolarHBondContact O-N 3.31Å; A320-K359 HydrophobicContact CB-CD 4.35Å; A320-K359 HydrophobicContact CB-CG 4.37Å
321	A	94.2	Very high	93.4	Very high	6 Å²	6	24.9 Å²	24.9	5%	0.05	13%	0.126	C	C	.	.	H	α-helix	trans	-62.3	-42.1	-178.5	0	0	0	0	0	111.6	W317 L324 H325 I520	W317-A321 HydrophobicContact CD2-CB 4.19Å; W317-A321 HydrophobicContact CE3-CB 4.31Å; W317-A321 HydrophobicContact CH2-CB 4.06Å; W317-A321 HydrophobicContact CZ2-CB 3.92Å; W317-A321 HydrophobicContact CZ3-CB 4.24Å; W317-A321 VanDerWaalsContact O-CB 3.32Å; W317-A321 WeakPolarHBondContact O-CB 3.17Å; W317-A321 PolarHBondContact O-N 2.83Å; A321-L324 PolarHBondContact O-N 3.37Å; A321-H325 VanDerWaalsContact O-CB 3.23Å; A321-H325 WeakPolarHBondContact O-CB 3.19Å; A321-H325 PolarHBondContact O-N 2.85Å; A321-I520 HydrophobicContact CB-CG2 3.79Å
322	T	94.4	Very high	93.1	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-64.1	-46.2	175.1	-59.1	0	0	0	0	111.3	T318 A320 L324 H325 V326 I356 P502 I505	T318-T322 WeakPolarHBondContact O-CB 3.46Å; T318-T322 PolarHBondContact O-N 3.45Å; T318-T322 PolarHBondContact O-OG1 3.02Å; A320-T322 PolarHBondContact O-N 3.4Å; T322-L324 VanDerWaalsContact C-N 3.3Å; T322-L324 PolarHBondContact O-N 3.19Å; T322-H325 PolarHBondContact O-N 3.05Å; T322-V326 HydrophobicContact CG2-CG2 4.47Å; T322-V326 WeakPolarHBondContact O-CG2 3.27Å; T322-V326 PolarHBondContact O-N 2.91Å; T322-I356 HydrophobicContact CG2-CD1 3.5Å; T322-I356 HydrophobicContact CG2-CG1 4.39Å; T322-P502 HydrophobicContact CG2-CG 4.26Å; T322-P502 WeakPolarHBondContact OG1-CG 3.16Å; T322-I505 HydrophobicContact CG2-CD1 3.63Å
323	G	92.3	Very high	92.7	Very high	5 Å²	5	37.1 Å²	37.1	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-39.4	-179.7	0	0	0	0	0	113.1	A319 A320 E327 L328	A319-G323 PolarHBondContact O-N 3.4Å; A320-G323 PolarHBondContact O-N 3.09Å; G323-E327 PolarHBondContact O-N 3.16Å; G323-L328 PolarHBondContact O-N 3.41Å
324	L	90.8	Very high	92.5	Very high	96 Å²	96	41 Å²	41	50%	0.503	20%	0.203	S	C	.	.	H	α-helix	trans	-67	-49.3	172.6	-68.9	171.9	0	0	0	111.7	E114 A320 A321 T322 V326 E327	E114-L324 HydrophobicContact CB-CD1 4.32Å; E114-L324 WeakPolarHBondContact O-CD1 3.45Å; A320-L324 WeakPolarHBondContact O-CG 3.38Å; A320-L324 PolarHBondContact O-N 3.31Å; A321-L324 PolarHBondContact O-N 3.37Å; T322-L324 VanDerWaalsContact C-N 3.3Å; T322-L324 PolarHBondContact O-N 3.19Å; L324-V326 VanDerWaalsContact C-N 3.3Å; L324-V326 PolarHBondContact O-N 3.08Å; L324-E327 PolarHBondContact O-N 3.15Å
325	H	92.3	Very high	92.3	Very high	45 Å²	45	42.9 Å²	42.9	21%	0.208	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-35.2	-175.5	-175.3	83.5	0	0	0	113.3	A321 T322 E327 E519 I520	A321-H325 VanDerWaalsContact O-CB 3.23Å; A321-H325 WeakPolarHBondContact O-CB 3.19Å; A321-H325 PolarHBondContact O-N 2.85Å; T322-H325 PolarHBondContact O-N 3.05Å; H325-E327 VanDerWaalsContact C-N 3.34Å; H325-E519 PolarHBondContact CE1-O 2.89Å; H325-E519 VanDerWaalsContact CE1-O 3.27Å; H325-I520 HydrophobicContact CB-CG1 4.45Å; H325-I520 HydrophobicContact CB-CG2 4.1Å
326	V	91.4	Very high	92.2	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.055	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	14.3	176.3	-58.5	0	0	0	0	113.2	T322 L324 L328 K467 F469 I505	T322-V326 HydrophobicContact CG2-CG2 4.47Å; T322-V326 WeakPolarHBondContact O-CG2 3.27Å; T322-V326 PolarHBondContact O-N 2.91Å; L324-V326 VanDerWaalsContact C-N 3.3Å; L324-V326 PolarHBondContact O-N 3.08Å; V326-L328 VanDerWaalsContact C-N 3.31Å; V326-L328 HydrophobicContact CG2-CD1 3.94Å; V326-L328 HydrophobicContact CG2-CD2 4.3Å; V326-L328 HydrophobicContact CG2-CG 3.63Å; V326-L328 PolarHBondContact O-N 2.62Å; V326-K467 WeakPolarHBondContact O-CE 3.49Å; V326-K467 PolarHBondContact O-NZ 3.25Å; V326-F469 HydrophobicContact CB-CZ 4.17Å; V326-F469 HydrophobicContact CG1-CE1 4.2Å; V326-F469 HydrophobicContact CG1-CZ 3.93Å; V326-I505 HydrophobicContact CG1-CB 4.46Å; V326-I505 HydrophobicContact CG1-CD1 3.96Å; V326-I505 HydrophobicContact CG1-CG2 3.7Å
327	E	88.5	Confident	92.1	Very high	126 Å²	126	45.2 Å²	45.2	59%	0.589	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	47.9	177.4	-55.8	-175	174.1	0	0	112.9	G323 L324 H325 K467	G323-E327 PolarHBondContact O-N 3.16Å; L324-E327 PolarHBondContact O-N 3.15Å; H325-E327 VanDerWaalsContact C-N 3.34Å; E327-K467 VanDerWaalsContact C-NZ 3.27Å; E327-K467 PolarHBondContact O-NZ 2.99Å
328	L	87.7	Confident	92.1	Very high	34 Å²	34	45 Å²	45	18%	0.178	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-68.9	139.4	172.5	-68.9	173.2	0	0	0	109.8	G323 V326 E336 I356 V360 K467	G323-L328 PolarHBondContact O-N 3.41Å; V326-L328 VanDerWaalsContact C-N 3.31Å; V326-L328 HydrophobicContact CG2-CD1 3.94Å; V326-L328 HydrophobicContact CG2-CD2 4.3Å; V326-L328 HydrophobicContact CG2-CG 3.63Å; V326-L328 PolarHBondContact O-N 2.62Å; L328-E336 HydrophobicContact CD2-CG 3.94Å; L328-I356 HydrophobicContact CD1-CG2 3.3Å; L328-V360 HydrophobicContact CB-CG1 4.09Å; L328-V360 HydrophobicContact CD1-CG1 4.43Å; L328-K467 HydrophobicContact CD2-CD 4.02Å
329	K	85	Confident	92.2	Very high	111 Å²	111	45.2 Å²	45.2	48%	0.483	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-83.7	139.7	176.3	-65.6	-174.8	178.4	-173.1	0	109.4	F334 E336	K329-F334 HydrophobicContact CB-CB 3.89Å; K329-F334 HydrophobicContact CB-CD1 4.45Å; K329-F334 HydrophobicContact CD-CB 3.75Å; K329-F334 HydrophobicContact CD-CD1 4.44Å; K329-F334 HydrophobicContact CD-CG 4.34Å; K329-F334 HydrophobicContact CG-CB 4.46Å; K329-E336 PolarHBondContact N-OE1 3.48Å
330	D	86.4	Confident	92.2	Very high	36 Å²	36	45.2 Å²	45.2	19%	0.193	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-62.1	143.9	168.4	179.6	-74.8	0	0	0	110	R131 F132 L332 Q333 F334 V360	R131-D330 IonicContact NH1-OD2 2.89Å; R131-D330 PolarHBondContact NH1-OD2 3.15Å; F132-D330 VanDerWaalsContact CE1-OD1 3.3Å; F132-D330 WeakPolarHBondContact CE1-OD1 3.32Å; F132-D330 WeakPolarHBondContact CZ-OD2 3.28Å; D330-L332 PolarHBondContact O-N 3.28Å; D330-L332 VanDerWaalsContact O-N 3.12Å; D330-L332 VanDerWaalsContact OD1-CB 3.31Å; D330-L332 WeakPolarHBondContact OD1-CB 3.39Å; D330-L332 WeakPolarHBondContact OD1-CG 3.44Å; D330-L332 PolarHBondContact OD1-N 3.32Å; D330-Q333 WeakPolarHBondContact O-CA 3.47Å; D330-Q333 WeakPolarHBondContact O-CB 3.11Å; D330-Q333 PolarHBondContact O-N 3.47Å; D330-F334 PolarHBondContact O-N 3.07Å; D330-V360 CarbonylContact C-O 3.58Å
331	G	88.1	Confident	92.2	Very high	4 Å²	4	44.6 Å²	44.6	4%	0.041	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.5	-175.6	0	0	0	0	0	113.7	F135 Q333 F334 Q335 V360	F135-G331 VanDerWaalsContact CE2-O 3.25Å; F135-G331 WeakPolarHBondContact CE2-O 3.36Å; G331-Q333 PolarHBondContact O-N 3.16Å; G331-F334 PolarHBondContact O-N 3.41Å; G331-Q335 PolarHBondContact O-N 3.41Å; G331-V360 PolarHBondContact N-O 3.37Å
332	L	91.1	Very high	91.9	Very high	105 Å²	105	45.2 Å²	45.2	55%	0.55	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.2	176.8	-63.5	174.8	0	0	0	112.7	F132 F135 D330	F132-L332 HydrophobicContact CD1-CD2 4.49Å; F132-L332 HydrophobicContact CD1-CG 4.31Å; F132-L332 HydrophobicContact CE1-CG 3.98Å; F135-L332 HydrophobicContact CE1-CD2 4.15Å; F135-L332 HydrophobicContact CZ-CD2 3.97Å; D330-L332 PolarHBondContact O-N 3.28Å; D330-L332 VanDerWaalsContact O-N 3.12Å; D330-L332 VanDerWaalsContact OD1-CB 3.31Å; D330-L332 WeakPolarHBondContact OD1-CB 3.39Å; D330-L332 WeakPolarHBondContact OD1-CG 3.44Å; D330-L332 PolarHBondContact OD1-N 3.32Å
333	Q	91.4	Very high	91.7	Very high	154 Å²	154	46.4 Å²	46.4	72%	0.72	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-46.5	174.6	-59.6	-176.8	7	0	0	111.3	D330 G331	D330-Q333 WeakPolarHBondContact O-CA 3.47Å; D330-Q333 WeakPolarHBondContact O-CB 3.11Å; D330-Q333 PolarHBondContact O-N 3.47Å; G331-Q333 PolarHBondContact O-N 3.16Å
334	F	91.3	Very high	91.7	Very high	81 Å²	81	46.2 Å²	46.2	36%	0.355	22%	0.224	S	C	.	.			trans	-162.6	113.2	-178.3	177.6	-100.3	0	0	0	109.7	K329 D330 G331 E336 T386	K329-F334 HydrophobicContact CB-CB 3.89Å; K329-F334 HydrophobicContact CB-CD1 4.45Å; K329-F334 HydrophobicContact CD-CB 3.75Å; K329-F334 HydrophobicContact CD-CD1 4.44Å; K329-F334 HydrophobicContact CD-CG 4.34Å; K329-F334 HydrophobicContact CG-CB 4.46Å; D330-F334 PolarHBondContact O-N 3.07Å; G331-F334 PolarHBondContact O-N 3.41Å; F334-E336 HydrophobicContact CD1-CG 4.5Å; F334-E336 PolarHBondContact O-N 3.05Å; F334-E336 VanDerWaalsContact O-N 3.13Å; F334-T386 HydrophobicContact CE1-CG2 3.64Å; F334-T386 HydrophobicContact CZ-CG2 3.45Å; F334-T386 VanDerWaalsContact CZ-CG2 3.45Å
335	Q	94.5	Very high	91.7	Very high	44 Å²	44	41.8 Å²	41.8	21%	0.206	20%	0.201	C	C	.	.			trans	-71.5	109.4	175.7	-175.3	170.7	56.9	0	0	111.1	T136 G331 G361 L363	T136-Q335 PolarHBondContact O-NE2 3.48Å; G331-Q335 PolarHBondContact O-N 3.41Å; Q335-G361 WeakPolarHBondContact CG-O 3.42Å; Q335-G361 PolarHBondContact NE2-O 3.21Å; Q335-L363 HydrophobicContact CG-CB 4.16Å
336	E	95	Very high	91.7	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.047	20%	0.199	C	C	.	.			trans	-61	145.5	170.5	-62.5	-69.6	178.8	0	0	110.4	L328 K329 F334 V360 G362 L363 T386	L328-E336 HydrophobicContact CD2-CG 3.94Å; K329-E336 PolarHBondContact N-OE1 3.48Å; F334-E336 HydrophobicContact CD1-CG 4.5Å; F334-E336 PolarHBondContact O-N 3.05Å; F334-E336 VanDerWaalsContact O-N 3.13Å; E336-V360 HydrophobicContact CG-CG2 4.48Å; E336-G362 CarbonylContact O-C 3.51Å; E336-G362 WeakPolarHBondContact O-CA 3.36Å; E336-L363 PolarHBondContact O-N 2.98Å; E336-T386 WeakPolarHBondContact CA-OG1 3.44Å; E336-T386 VanDerWaalsContact OE2-CB 3.22Å; E336-T386 WeakPolarHBondContact OE2-CB 3.18Å; E336-T386 PolarHBondContact OE2-OG1 3.33Å
337	R	96.1	Very high	91.9	Very high	45 Å²	45	40.9 Å²	40.9	17%	0.17	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.6	177	-64.4	-165.6	-66.2	-76.5	-19.2	110.3	L363 A383 H384 P385 T386 A387 R464	R337-L363 WeakPolarHBondContact CA-O 3.49Å; R337-L363 HydrophobicContact CG-CB 4.18Å; R337-L363 HydrophobicContact CG-CD2 4.15Å; R337-L363 HydrophobicContact CG-CG 4.42Å; R337-A383 PolarHBondContact NE-O 3.06Å; R337-H384 PolarHBondContact NE-O 3.02Å; R337-H384 PolarHBondContact NH2-O 3.08Å; R337-P385 WeakPolarHBondContact O-CA 3.27Å; R337-P385 WeakPolarHBondContact O-CB 3.21Å; R337-T386 HydrophobicContact CB-CG2 4.26Å; R337-T386 PolarHBondContact N-OG1 3.33Å; R337-T386 PolarHBondContact O-N 2.9Å; R337-T386 PolarHBondContact O-OG1 2.71Å; R337-A387 PolarHBondContact O-N 2.75Å; R337-R464 VanDerWaalsContact NH2-NH1 3.19Å
338	V	96.8	Very high	92	Very high	10 Å²	10	35.8 Å²	35.8	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	166.4	176.8	-59.7	0	0	0	0	110.9	V352 S357 L363 T364 Y365 A387	V338-V352 HydrophobicContact CB-CG1 4.36Å; V338-V352 HydrophobicContact CG1-CG1 4.22Å; V338-S357 WeakPolarHBondContact CG2-OG 3.42Å; V338-L363 PolarHBondContact N-O 2.88Å; V338-T364 HydrophobicContact CG2-CG2 4.3Å; V338-T364 WeakPolarHBondContact CG2-OG1 3.33Å; V338-Y365 PolarHBondContact O-N 3Å; V338-A387 HydrophobicContact CG1-CB 4.41Å
339	I	97.3	Very high	92.2	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.3	179.4	-58.2	173.4	0	0	0	108.4	Y341 Y365 A367 L376 T379 M380 A383 P385	I339-Y341 HydrophobicContact CG2-CD1 4.2Å; I339-Y341 WeakPolarHBondContact O-CD1 3.42Å; I339-Y365 CarbonylContact C-O 3.02Å; I339-Y365 VanDerWaalsContact CA-O 3.28Å; I339-Y365 WeakPolarHBondContact CA-O 3.23Å; I339-A367 HydrophobicContact CG2-CB 3.99Å; I339-L376 HydrophobicContact CG2-CD1 4.17Å; I339-T379 HydrophobicContact CG2-CG2 3.92Å; I339-M380 HydrophobicContact CD1-CB 3.89Å; I339-M380 HydrophobicContact CD1-CG 3.55Å; I339-M380 HydrophobicContact CD1-SD 4.31Å; I339-A383 HydrophobicContact CD1-CB 4.21Å; I339-A383 HydrophobicContact CG1-CB 4.14Å; I339-P385 HydrophobicContact CD1-CB 4.17Å; I339-P385 HydrophobicContact CD1-CG 3.79Å; I339-P385 HydrophobicContact CG1-CB 4.22Å; I339-P385 HydrophobicContact CG1-CG 4.39Å
340	S	97.4	Very high	92.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.4	176	-170.4	0	0	0	0	110.3	N182 D353 Y365 A367	N182-S340 PolarHBondContact ND2-OG 2.8Å; S340-D353 VanDerWaalsContact CA-OD2 3.25Å; S340-D353 WeakPolarHBondContact CA-OD2 3.44Å; S340-D353 WeakPolarHBondContact CB-OD2 3.25Å; S340-D353 PolarHBondContact OG-OD2 3.21Å; S340-Y365 PolarHBondContact N-O 3.43Å; S340-A367 WeakPolarHBondContact O-CB 3.33Å; S340-A367 PolarHBondContact O-N 3.01Å
341	Y	93.2	Very high	93.4	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.012	14%	0.138	C	C	.	.			trans	-155.8	-18.4	-179.8	75.7	-79.9	0	0	0	114	N182 I339 L372 L376 F388 M389 G390 V394	N182-Y341 PolarHBondContact ND2-N 2.92Å; I339-Y341 HydrophobicContact CG2-CD1 4.2Å; I339-Y341 WeakPolarHBondContact O-CD1 3.42Å; Y341-L372 HydrophobicContact CD2-CD2 3.67Å; Y341-L372 HydrophobicContact CD2-CG 4.33Å; Y341-L372 HydrophobicContact CE2-CD2 3.75Å; Y341-L376 HydrophobicContact CD1-CD1 3.93Å; Y341-L376 HydrophobicContact CD2-CD1 4.13Å; Y341-L376 HydrophobicContact CD2-CD2 4.01Å; Y341-L376 HydrophobicContact CE1-CD1 4.36Å; Y341-L376 HydrophobicContact CE1-CD2 4.44Å; Y341-L376 HydrophobicContact CE2-CD2 3.72Å; Y341-L376 HydrophobicContact CG-CD1 3.81Å; Y341-L376 HydrophobicContact CG-CD2 4.47Å; Y341-F388 AromaticContact CE1-CE2 3.76Å; Y341-F388 HydrophobicContact CE1-CE2 3.76Å; Y341-F388 HydrophobicContact CE1-CZ 4.18Å; Y341-M389 WeakPolarHBondContact CE1-O 3.46Å; Y341-M389 PolarHBondContact OH-O 3.44Å; Y341-G390 VanDerWaalsContact OH-CA 3.31Å; Y341-G390 WeakPolarHBondContact OH-CA 2.97Å; Y341-V394 HydrophobicContact CE2-CG2 4.05Å
342	L	89.7	Confident	93.7	Very high	19 Å²	19	29 Å²	29	10%	0.099	15%	0.146	C	C	.	.	S	Bend	trans	-77	144.2	172.8	-66.9	174.9	0	0	0	109.1	N182 L344 A349 M389 V391	N182-L342 PolarHBondContact ND2-O 3.22Å; N182-L342 PolarHBondContact OD1-O 3.3Å; L342-L344 PolarHBondContact O-N 2.96Å; L342-L344 VanDerWaalsContact O-N 3.16Å; L342-A349 HydrophobicContact CB-CB 3.78Å; L342-A349 WeakPolarHBondContact O-CB 3.48Å; L342-M389 HydrophobicContact CD1-CG 4.23Å; L342-V391 HydrophobicContact CD1-CG1 4.45Å; L342-V391 HydrophobicContact CD2-CG1 4.1Å; L342-V391 HydrophobicContact CD2-CG2 4.37Å
343	P	88.6	Confident	94	Very high	30 Å²	30	24.3 Å²	24.3	20%	0.195	12%	0.121	C	C	.	.			trans	-56.6	122	-174.5	-25.1	33.6	0	0	0	112.8	Y204 S345 H346 A349	Y204-P343 HydrophobicContact CD1-CB 4.06Å; Y204-P343 HydrophobicContact CE1-CB 3.86Å; Y204-P343 HydrophobicContact CE1-CG 4.45Å; P343-S345 PolarHBondContact O-N 2.87Å; P343-S345 VanDerWaalsContact O-N 3.16Å; P343-H346 WeakPolarHBondContact O-CB 3.47Å; P343-H346 PolarHBondContact O-N 2.84Å; P343-A349 VanDerWaalsContact O-CB 3.31Å; P343-A349 WeakPolarHBondContact O-CB 3.32Å
344	L	93.9	Very high	94.3	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.8	179.7	-68.7	163.8	0	0	0	114	N182 W186 F187 L342 H346 A349 Q350 D353 I354	N182-L344 HydrophobicContact CB-CD1 3.72Å; N182-L344 HydrophobicContact CB-CG 4.29Å; W186-L344 HydrophobicContact CB-CD1 4.2Å; W186-L344 HydrophobicContact CD2-CB 3.7Å; W186-L344 HydrophobicContact CD2-CD1 3.45Å; W186-L344 VanDerWaalsContact CD2-CD1 3.45Å; W186-L344 HydrophobicContact CD2-CG 4.2Å; W186-L344 VanDerWaalsContact CE2-CB 3.5Å; W186-L344 HydrophobicContact CE3-CB 3.74Å; W186-L344 HydrophobicContact CE3-CD1 3.4Å; W186-L344 HydrophobicContact CE3-CG 4.06Å; W186-L344 HydrophobicContact CG-CD1 3.79Å; W186-L344 HydrophobicContact CH2-CB 3.55Å; W186-L344 WeakPolarHBondContact CH2-O 3.45Å; W186-L344 HydrophobicContact CZ2-CB 3.43Å; W186-L344 VanDerWaalsContact CZ2-CB 3.43Å; W186-L344 HydrophobicContact CZ3-CB 3.67Å; W186-L344 HydrophobicContact CZ3-CD1 4.09Å; W186-L344 HydrophobicContact CZ3-CD2 4.45Å; W186-L344 HydrophobicContact CZ3-CG 4.27Å; F187-L344 HydrophobicContact CD1-CD1 3.85Å; F187-L344 HydrophobicContact CE1-CD1 3.54Å; F187-L344 HydrophobicContact CE1-CD2 3.8Å; F187-L344 HydrophobicContact CE1-CG 4.33Å; F187-L344 HydrophobicContact CZ-CD2 4.46Å; L342-L344 PolarHBondContact O-N 2.96Å; L342-L344 VanDerWaalsContact O-N 3.16Å; L344-H346 PolarHBondContact O-N 3.36Å; L344-A349 HydrophobicContact CD2-CB 4.3Å; L344-Q350 HydrophobicContact CD2-CG 4.33Å; L344-Q350 WeakPolarHBondContact O-CG 3.47Å; L344-Q350 PolarHBondContact O-NE2 3.3Å; L344-D353 HydrophobicContact CD2-CB 4.21Å; L344-I354 HydrophobicContact CD2-CD1 4.31Å
345	S	90.9	Very high	94.7	Very high	4 Å²	4	13.3 Å²	13.3	3%	0.028	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-8	166.5	-38.7	0	0	0	0	113.3	I203 Y204 P343	I203-S345 PolarHBondContact N-OG 2.93Å; I203-S345 PolarHBondContact O-OG 3.07Å; Y204-S345 PolarHBondContact N-OG 3.36Å; P343-S345 PolarHBondContact O-N 2.87Å; P343-S345 VanDerWaalsContact O-N 3.16Å
346	H	91.1	Very high	94.8	Very high	33 Å²	33	12 Å²	12	15%	0.153	7%	0.065	C	C	.	.	S	Bend	trans	-109.8	133.6	178.8	-168.7	-79.7	0	0	0	111.3	P343 L344 A348 A349 Q350	P343-H346 WeakPolarHBondContact O-CB 3.47Å; P343-H346 PolarHBondContact O-N 2.84Å; L344-H346 PolarHBondContact O-N 3.36Å; H346-A348 VanDerWaalsContact C-N 3.28Å; H346-A348 WeakPolarHBondContact ND1-CB 3.41Å; H346-A348 PolarHBondContact ND1-N 2.93Å; H346-A348 VanDerWaalsContact ND1-N 3.16Å; H346-A348 PolarHBondContact O-N 3.02Å; H346-A348 VanDerWaalsContact O-N 3.16Å; H346-A349 PolarHBondContact O-N 3.39Å; H346-Q350 PolarHBondContact O-N 3.38Å
347	I	95.1	Very high	94.9	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-57.3	-37.2	-174.6	-169.7	54.8	0	0	0	113.6	M294 I296 L310 I315 A349 Q350 M351 T500	M294-I347 HydrophobicContact SD-CD1 4.39Å; I296-I347 HydrophobicContact CG1-CB 4.28Å; L310-I347 HydrophobicContact CD1-CD1 3.67Å; L310-I347 HydrophobicContact CD1-CG1 4.13Å; I315-I347 HydrophobicContact CD1-CD1 3.93Å; I347-A349 VanDerWaalsContact C-N 3.27Å; I347-A349 PolarHBondContact O-N 3.17Å; I347-Q350 PolarHBondContact O-N 2.89Å; I347-M351 HydrophobicContact CD1-CE 4.1Å; I347-M351 VanDerWaalsContact O-CB 3.32Å; I347-M351 WeakPolarHBondContact O-CB 3.45Å; I347-M351 PolarHBondContact O-N 3.21Å; I347-T500 HydrophobicContact CD1-CG2 4.34Å; I347-T500 HydrophobicContact CG1-CG2 4.4Å
348	A	91	Very high	94.9	Very high	20 Å²	20	9.9 Å²	9.9	17%	0.165	6%	0.058	C	C	.	.	H	α-helix	trans	-59.9	-37.6	179.9	0	0	0	0	0	112.7	H346 V352	H346-A348 VanDerWaalsContact C-N 3.28Å; H346-A348 WeakPolarHBondContact ND1-CB 3.41Å; H346-A348 PolarHBondContact ND1-N 2.93Å; H346-A348 VanDerWaalsContact ND1-N 3.16Å; H346-A348 PolarHBondContact O-N 3.02Å; H346-A348 VanDerWaalsContact O-N 3.16Å; A348-V352 WeakPolarHBondContact O-CG2 3.43Å; A348-V352 PolarHBondContact O-N 3.1Å
349	A	93	Very high	94.9	Very high	3 Å²	3	13.4 Å²	13.4	3%	0.025	7%	0.073	C	C	.	.	H	α-helix	trans	-69.5	-48	176.3	0	0	0	0	0	110.2	L342 P343 L344 H346 I347 M351 V352 D353	L342-A349 HydrophobicContact CB-CB 3.78Å; L342-A349 WeakPolarHBondContact O-CB 3.48Å; P343-A349 VanDerWaalsContact O-CB 3.31Å; P343-A349 WeakPolarHBondContact O-CB 3.32Å; L344-A349 HydrophobicContact CD2-CB 4.3Å; H346-A349 PolarHBondContact O-N 3.39Å; I347-A349 VanDerWaalsContact C-N 3.27Å; I347-A349 PolarHBondContact O-N 3.17Å; A349-M351 VanDerWaalsContact C-N 3.32Å; A349-M351 PolarHBondContact O-N 2.76Å; A349-V352 PolarHBondContact O-N 3.1Å; A349-D353 WeakPolarHBondContact O-CB 3.48Å; A349-D353 PolarHBondContact O-N 3.34Å
350	Q	97.4	Very high	94.8	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-61.9	-39.4	178.7	-60.6	-168.3	10.8	0	0	113.1	W186 M294 L344 H346 I347 V352 I354 W355	W186-Q350 HydrophobicContact CH2-CG 4.33Å; M294-Q350 PolarHBondContact SD-OE1 3.38Å; L344-Q350 HydrophobicContact CD2-CG 4.33Å; L344-Q350 WeakPolarHBondContact O-CG 3.47Å; L344-Q350 PolarHBondContact O-NE2 3.3Å; H346-Q350 PolarHBondContact O-N 3.38Å; I347-Q350 PolarHBondContact O-N 2.89Å; Q350-V352 VanDerWaalsContact C-N 3.35Å; Q350-V352 PolarHBondContact O-N 2.9Å; Q350-I354 HydrophobicContact CB-CD1 4.13Å; Q350-I354 HydrophobicContact CG-CD1 4.17Å; Q350-I354 WeakPolarHBondContact O-CA 3.2Å; Q350-I354 VanDerWaalsContact O-CB 3.3Å; Q350-I354 WeakPolarHBondContact O-CB 3.45Å; Q350-I354 PolarHBondContact O-N 3.34Å; Q350-W355 VanDerWaalsContact O-CD1 3.27Å; Q350-W355 PolarHBondContact O-N 2.78Å
351	M	97.5	Very high	94.8	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.015	8%	0.075	C	C	.	.	I	π-helix	trans	-63.7	-42	-178.6	-162.2	47.7	59.2	0	0	111.3	I315 T318 A319 I347 A349 W355 I356 T500	I315-M351 HydrophobicContact CD1-CE 4.15Å; I315-M351 HydrophobicContact CG2-CE 4.36Å; T318-M351 HydrophobicContact CG2-CE 4.42Å; T318-M351 HydrophobicContact CG2-CG 4.4Å; T318-M351 HydrophobicContact CG2-SD 4.23Å; A319-M351 HydrophobicContact CB-SD 3.97Å; I347-M351 HydrophobicContact CD1-CE 4.1Å; I347-M351 VanDerWaalsContact O-CB 3.32Å; I347-M351 WeakPolarHBondContact O-CB 3.45Å; I347-M351 PolarHBondContact O-N 3.21Å; A349-M351 VanDerWaalsContact C-N 3.32Å; A349-M351 PolarHBondContact O-N 2.76Å; M351-W355 HydrophobicContact CE-CB 4.09Å; M351-W355 HydrophobicContact CE-CG 4.12Å; M351-W355 HydrophobicContact SD-CB 3.66Å; M351-W355 HydrophobicContact SD-CG 4.31Å; M351-I356 HydrophobicContact CG-CD1 3.8Å; M351-I356 HydrophobicContact CG-CG1 4.08Å; M351-I356 WeakPolarHBondContact O-CB 3.25Å; M351-I356 WeakPolarHBondContact O-CD1 3.39Å; M351-I356 WeakPolarHBondContact O-CG1 3.13Å; M351-I356 PolarHBondContact O-N 3.06Å; M351-I356 HydrophobicContact SD-CD1 4.45Å; M351-I356 HydrophobicContact SD-CG1 4.08Å; M351-T500 HydrophobicContact CE-CG2 3.92Å
352	V	95.6	Very high	94.9	Very high	35 Å²	35	13.6 Å²	13.6	21%	0.212	7%	0.074	C	C	.	.	I	π-helix	trans	-74.3	-50.5	175.8	176.8	0	0	0	0	111.4	V338 A348 A349 Q350 S357 M389	V338-V352 HydrophobicContact CB-CG1 4.36Å; V338-V352 HydrophobicContact CG1-CG1 4.22Å; A348-V352 WeakPolarHBondContact O-CG2 3.43Å; A348-V352 PolarHBondContact O-N 3.1Å; A349-V352 PolarHBondContact O-N 3.1Å; Q350-V352 VanDerWaalsContact C-N 3.35Å; Q350-V352 PolarHBondContact O-N 2.9Å; V352-S357 PolarHBondContact O-OG 3.38Å; V352-M389 HydrophobicContact CG1-CB 4.44Å; V352-M389 HydrophobicContact CG2-CB 4.24Å; V352-M389 HydrophobicContact CG2-CG 4.38Å
353	D	97.3	Very high	95.3	Very high	6 Å²	6	13.3 Å²	13.3	3%	0.032	7%	0.073	C	C	.	.	I	π-helix	trans	-80.8	-32.1	-165.4	-55.8	-8.2	0	0	0	112.6	F187 S340 L344 A349 T364	F187-D353 HydrophobicContact CE1-CB 4.44Å; F187-D353 VanDerWaalsContact CE2-O 3.3Å; F187-D353 WeakPolarHBondContact CE2-O 3.48Å; F187-D353 HydrophobicContact CZ-CB 3.74Å; F187-D353 WeakPolarHBondContact CZ-O 3.41Å; S340-D353 VanDerWaalsContact CA-OD2 3.25Å; S340-D353 WeakPolarHBondContact CA-OD2 3.44Å; S340-D353 WeakPolarHBondContact CB-OD2 3.25Å; S340-D353 PolarHBondContact OG-OD2 3.21Å; L344-D353 HydrophobicContact CD2-CB 4.21Å; A349-D353 WeakPolarHBondContact O-CB 3.48Å; A349-D353 PolarHBondContact O-N 3.34Å; D353-T364 HydrophobicContact CB-CG2 4.25Å; D353-T364 PolarHBondContact O-OG1 2.94Å
354	I	98.4	Very high	95.8	Very high	4 Å²	4	12 Å²	12	2%	0.021	7%	0.065	C	C	.	.	I	π-helix	trans	-108.6	-65.7	-177.2	-51.9	171.5	0	0	0	110	W186 F187 I191 L344 Q350 M358	W186-I354 HydrophobicContact CE3-CD1 4.37Å; W186-I354 HydrophobicContact CZ3-CD1 3.78Å; F187-I354 HydrophobicContact CD1-CD1 4.24Å; F187-I354 HydrophobicContact CD1-CG1 4.1Å; F187-I354 HydrophobicContact CD2-CG1 3.84Å; F187-I354 HydrophobicContact CE1-CD1 4.15Å; F187-I354 HydrophobicContact CE1-CG1 3.71Å; F187-I354 HydrophobicContact CE2-CB 4.2Å; F187-I354 HydrophobicContact CE2-CG1 3.45Å; F187-I354 VanDerWaalsContact CE2-CG1 3.45Å; F187-I354 HydrophobicContact CG-CD1 4.44Å; F187-I354 HydrophobicContact CG-CG1 4.15Å; F187-I354 HydrophobicContact CZ-CB 4.44Å; F187-I354 HydrophobicContact CZ-CD1 4.3Å; F187-I354 HydrophobicContact CZ-CG1 3.36Å; I191-I354 HydrophobicContact CD1-CG2 4.2Å; L344-I354 HydrophobicContact CD2-CD1 4.31Å; Q350-I354 HydrophobicContact CB-CD1 4.13Å; Q350-I354 HydrophobicContact CG-CD1 4.17Å; Q350-I354 WeakPolarHBondContact O-CA 3.2Å; Q350-I354 VanDerWaalsContact O-CB 3.3Å; Q350-I354 WeakPolarHBondContact O-CB 3.45Å; Q350-I354 PolarHBondContact O-N 3.34Å; I354-M358 HydrophobicContact CG2-CE 4.18Å; I354-M358 WeakPolarHBondContact O-CB 3.34Å; I354-M358 PolarHBondContact O-N 2.92Å
355	W	98.2	Very high	96	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-79.4	-50.5	-156.8	-52.6	123.1	0	0	0	113.8	V121 M124 D190 I191 I194 M294 I315 A319 Q350 M351 M358 K359	V121-W355 HydrophobicContact CG1-CH2 4.06Å; V121-W355 HydrophobicContact CG1-CZ3 3.63Å; M124-W355 HydrophobicContact CE-CE3 3.93Å; D190-W355 WeakPolarHBondContact OD2-CZ2 3.33Å; I191-W355 HydrophobicContact CD1-CH2 4.37Å; I191-W355 HydrophobicContact CD1-CZ3 4.22Å; I191-W355 HydrophobicContact CG1-CH2 3.83Å; I191-W355 HydrophobicContact CG1-CZ3 4.15Å; I194-W355 HydrophobicContact CD1-CH2 3.91Å; I194-W355 HydrophobicContact CD1-CZ2 4.28Å; M294-W355 HydrophobicContact CE-CH2 4.48Å; M294-W355 HydrophobicContact CE-CZ2 3.44Å; M294-W355 VanDerWaalsContact CE-CZ2 3.44Å; I315-W355 HydrophobicContact CG2-CB 4.04Å; I315-W355 HydrophobicContact CG2-CD2 3.35Å; I315-W355 HydrophobicContact CG2-CE3 3.81Å; I315-W355 HydrophobicContact CG2-CG 3.44Å; I315-W355 VanDerWaalsContact CG2-CG 3.44Å; I315-W355 HydrophobicContact CG2-CZ2 4.44Å; I315-W355 HydrophobicContact CG2-CZ3 4.49Å; A319-W355 HydrophobicContact CB-CB 3.97Å; Q350-W355 VanDerWaalsContact O-CD1 3.27Å; Q350-W355 PolarHBondContact O-N 2.78Å; M351-W355 HydrophobicContact CE-CB 4.09Å; M351-W355 HydrophobicContact CE-CG 4.12Å; M351-W355 HydrophobicContact SD-CB 3.66Å; M351-W355 HydrophobicContact SD-CG 4.31Å; W355-M358 HydrophobicContact CE3-CE 4.22Å; W355-M358 HydrophobicContact CZ3-CE 4.01Å; W355-M358 PolarHBondContact O-N 3.44Å; W355-K359 WeakPolarHBondContact O-CB 3.45Å; W355-K359 PolarHBondContact O-N 3.2Å
356	I	96.9	Very high	96.2	Very high	17 Å²	17	12.7 Å²	12.7	9%	0.087	7%	0.067	C	C	.	.	I	π-helix	trans	-63.5	-46.1	174.3	-67.2	165.4	0	0	0	109.6	A319 T322 L328 M351 M358 K359 V360	A319-I356 HydrophobicContact CB-CG1 4.23Å; T322-I356 HydrophobicContact CG2-CD1 3.5Å; T322-I356 HydrophobicContact CG2-CG1 4.39Å; L328-I356 HydrophobicContact CD1-CG2 3.3Å; M351-I356 HydrophobicContact CG-CD1 3.8Å; M351-I356 HydrophobicContact CG-CG1 4.08Å; M351-I356 WeakPolarHBondContact O-CB 3.25Å; M351-I356 WeakPolarHBondContact O-CD1 3.39Å; M351-I356 WeakPolarHBondContact O-CG1 3.13Å; M351-I356 PolarHBondContact O-N 3.06Å; M351-I356 HydrophobicContact SD-CD1 4.45Å; M351-I356 HydrophobicContact SD-CG1 4.08Å; I356-M358 VanDerWaalsContact C-N 3.35Å; I356-M358 PolarHBondContact O-N 3.47Å; I356-K359 PolarHBondContact O-N 3Å; I356-K359 VanDerWaalsContact O-N 3.14Å; I356-V360 WeakPolarHBondContact O-CG2 3.35Å; I356-V360 PolarHBondContact O-N 2.82Å; I356-V360 VanDerWaalsContact O-N 3.1Å
357	S	96.6	Very high	96.4	Very high	7 Å²	7	11.4 Å²	11.4	5%	0.049	6%	0.061	C	C	.	.	H	α-helix	trans	-58.1	-46.4	179	-69.6	0	0	0	0	111.4	Y151 V338 V352 K359 V360 G361 G362	Y151-S357 PolarHBondContact OH-O 3.16Å; V338-S357 WeakPolarHBondContact CG2-OG 3.42Å; V352-S357 PolarHBondContact O-OG 3.38Å; S357-K359 PolarHBondContact O-N 3.16Å; S357-V360 PolarHBondContact O-N 3.25Å; S357-G361 PolarHBondContact O-N 3.33Å; S357-G362 PolarHBondContact O-N 2.97Å
358	M	97.1	Very high	96	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.015	8%	0.077	C	C	.	.	H	α-helix	trans	-59.6	-46.7	173.4	-178.2	-167.4	-63.9	0	0	112.3	M124 F125 A128 Y151 I191 I354 W355 I356 V360 G361	M124-M358 HydrophobicContact CE-SD 3.78Å; F125-M358 HydrophobicContact CB-CE 4.1Å; F125-M358 HydrophobicContact CB-SD 3.47Å; F125-M358 WeakPolarHBondContact CB-SD 3.38Å; F125-M358 HydrophobicContact CD1-CE 3.8Å; F125-M358 HydrophobicContact CD1-SD 4.29Å; F125-M358 HydrophobicContact CD2-CE 3.79Å; F125-M358 HydrophobicContact CD2-CG 3.94Å; F125-M358 HydrophobicContact CD2-SD 3.67Å; F125-M358 HydrophobicContact CE1-CE 4.15Å; F125-M358 HydrophobicContact CE2-CE 4.16Å; F125-M358 HydrophobicContact CG-CE 3.62Å; F125-M358 HydrophobicContact CG-CG 4.43Å; F125-M358 HydrophobicContact CG-SD 3.55Å; F125-M358 VanDerWaalsContact CG-SD 3.55Å; F125-M358 HydrophobicContact CZ-CE 4.33Å; A128-M358 HydrophobicContact CB-CG 3.99Å; A128-M358 WeakPolarHBondContact CB-O 2.99Å; Y151-M358 HydrophobicContact CE1-CG 4.27Å; I191-M358 HydrophobicContact CD1-CE 3.39Å; I354-M358 HydrophobicContact CG2-CE 4.18Å; I354-M358 WeakPolarHBondContact O-CB 3.34Å; I354-M358 PolarHBondContact O-N 2.92Å; W355-M358 HydrophobicContact CE3-CE 4.22Å; W355-M358 HydrophobicContact CZ3-CE 4.01Å; W355-M358 PolarHBondContact O-N 3.44Å; I356-M358 VanDerWaalsContact C-N 3.35Å; I356-M358 PolarHBondContact O-N 3.47Å; M358-V360 PolarHBondContact O-N 3.08Å; M358-G361 PolarHBondContact O-N 3.41Å
359	K	95.9	Very high	95.6	Very high	84 Å²	84	16.7 Å²	16.7	37%	0.365	9%	0.088	S	C	.	.	H	α-helix	trans	-59.1	-34.9	-177.3	178.1	59	-172.5	177.7	0	112.9	M124 A319 A320 W355 I356 S357	M124-K359 HydrophobicContact CG-CD 4.26Å; M124-K359 HydrophobicContact SD-CB 4.12Å; M124-K359 HydrophobicContact SD-CD 4.12Å; A319-K359 HydrophobicContact CB-CB 4.26Å; A320-K359 HydrophobicContact CB-CD 4.35Å; A320-K359 HydrophobicContact CB-CG 4.37Å; W355-K359 WeakPolarHBondContact O-CB 3.45Å; W355-K359 PolarHBondContact O-N 3.2Å; I356-K359 PolarHBondContact O-N 3Å; I356-K359 VanDerWaalsContact O-N 3.14Å; S357-K359 PolarHBondContact O-N 3.16Å
360	V	95.4	Very high	95.1	Very high	14 Å²	14	20 Å²	20	9%	0.085	11%	0.105	C	C	.	.	H	α-helix	trans	-103.4	2.2	-177.5	-52.3	0	0	0	0	114.1	L328 D330 G331 E336 I356 S357 M358	L328-V360 HydrophobicContact CB-CG1 4.09Å; L328-V360 HydrophobicContact CD1-CG1 4.43Å; D330-V360 CarbonylContact C-O 3.58Å; G331-V360 PolarHBondContact N-O 3.37Å; E336-V360 HydrophobicContact CG-CG2 4.48Å; I356-V360 WeakPolarHBondContact O-CG2 3.35Å; I356-V360 PolarHBondContact O-N 2.82Å; I356-V360 VanDerWaalsContact O-N 3.1Å; S357-V360 PolarHBondContact O-N 3.25Å; M358-V360 PolarHBondContact O-N 3.08Å
361	G	97.3	Very high	94.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	27	-178.1	0	0	0	0	0	114.5	Y151 Q335 S357 M358	Y151-G361 VanDerWaalsContact OH-CA 3.27Å; Y151-G361 WeakPolarHBondContact OH-CA 3.39Å; Q335-G361 WeakPolarHBondContact CG-O 3.42Å; Q335-G361 PolarHBondContact NE2-O 3.21Å; S357-G361 PolarHBondContact O-N 3.33Å; M358-G361 PolarHBondContact O-N 3.41Å
362	G	96.9	Very high	93.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.			trans	-69.8	168.9	179.4	0	0	0	0	0	114.7	Y151 E336 S357	Y151-G362 PolarHBondContact OH-N 3.38Å; Y151-G362 VanDerWaalsContact OH-N 3.11Å; Y151-G362 PolarHBondContact OH-O 3.48Å; E336-G362 CarbonylContact O-C 3.51Å; E336-G362 WeakPolarHBondContact O-CA 3.36Å; S357-G362 PolarHBondContact O-N 2.97Å
363	L	97.7	Very high	92.1	Very high	14 Å²	14	26.6 Å²	26.6	7%	0.073	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.5	175.4	165.1	61.2	0	0	0	110	T136 A137 K139 Q335 E336 R337 V338	T136-L363 HydrophobicContact CG2-CD1 3.73Å; A137-L363 WeakPolarHBondContact O-CA 3.34Å; K139-L363 HydrophobicContact CB-CD1 3.8Å; Q335-L363 HydrophobicContact CG-CB 4.16Å; E336-L363 PolarHBondContact O-N 2.98Å; R337-L363 WeakPolarHBondContact CA-O 3.49Å; R337-L363 HydrophobicContact CG-CB 4.18Å; R337-L363 HydrophobicContact CG-CD2 4.15Å; R337-L363 HydrophobicContact CG-CG 4.42Å; V338-L363 PolarHBondContact N-O 2.88Å
364	T	98.4	Very high	91	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.4	175.3	-61.9	0	0	0	0	110.9	A137 K139 F187 V338 D353	A137-T364 PolarHBondContact O-N 3.37Å; K139-T364 PolarHBondContact N-O 3.14Å; F187-T364 HydrophobicContact CE2-CG2 4.23Å; F187-T364 HydrophobicContact CZ-CG2 3.97Å; V338-T364 HydrophobicContact CG2-CG2 4.3Å; V338-T364 WeakPolarHBondContact CG2-OG1 3.33Å; D353-T364 HydrophobicContact CB-CG2 4.25Å; D353-T364 PolarHBondContact O-OG1 2.94Å
365	Y	97.4	Very high	90.4	Very high	12 Å²	12	29.6 Å²	29.6	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.2	176.9	-143.9	-78.2	0	0	0	110.4	K139 Q146 V338 I339 S340 A367 T379 A383	K139-Y365 HydrophobicContact CB-CD2 4.01Å; K139-Y365 HydrophobicContact CB-CE2 4.19Å; K139-Y365 HydrophobicContact CD-CD2 3.81Å; K139-Y365 HydrophobicContact CD-CE2 3.31Å; K139-Y365 HydrophobicContact CG-CD2 3.89Å; K139-Y365 HydrophobicContact CG-CE2 3.54Å; K139-Y365 CarbonylContact O-C 3.58Å; K139-Y365 WeakPolarHBondContact O-CA 3.46Å; Q146-Y365 PolarHBondContact OE1-OH 2.85Å; V338-Y365 PolarHBondContact O-N 3Å; I339-Y365 CarbonylContact C-O 3.02Å; I339-Y365 VanDerWaalsContact CA-O 3.28Å; I339-Y365 WeakPolarHBondContact CA-O 3.23Å; S340-Y365 PolarHBondContact N-O 3.43Å; Y365-A367 PolarHBondContact O-N 3.39Å; Y365-T379 HydrophobicContact CD1-CG2 3.96Å; Y365-T379 HydrophobicContact CE1-CG2 4.46Å; Y365-A383 HydrophobicContact CD1-CB 4.16Å; Y365-A383 HydrophobicContact CD2-CB 3.83Å; Y365-A383 HydrophobicContact CE2-CB 4.33Å; Y365-A383 HydrophobicContact CG-CB 3.71Å
366	F	96.8	Very high	90.1	Very high	7 Å²	7	30.1 Å²	30.1	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	125.9	178.6	-66.5	-83.3	0	0	0	111	L138 K139 W140 N182 S183 A184 F187	L138-F366 HydrophobicContact CB-CE2 4.08Å; L138-F366 HydrophobicContact CD1-CE2 4.36Å; L138-F366 HydrophobicContact CD2-CE2 4.01Å; L138-F366 HydrophobicContact CD2-CZ 4.16Å; L138-F366 HydrophobicContact CG-CE2 4.37Å; K139-F366 WeakPolarHBondContact O-CD2 3.37Å; K139-F366 PolarHBondContact O-N 3.21Å; W140-F366 HydrophobicContact CB-CB 3.87Å; W140-F366 HydrophobicContact CB-CD2 3.98Å; W140-F366 HydrophobicContact CB-CG 4.32Å; N182-F366 HydrophobicContact CB-CD1 4.08Å; N182-F366 HydrophobicContact CB-CE1 4.41Å; S183-F366 VanDerWaalsContact C-CZ 3.43Å; S183-F366 VanDerWaalsContact O-CE1 3.31Å; S183-F366 WeakPolarHBondContact O-CE1 3.23Å; S183-F366 WeakPolarHBondContact O-CZ 3.34Å; A184-F366 HydrophobicContact CB-CE2 4.29Å; F187-F366 AromaticContact CD1-CE1 3.79Å; F187-F366 HydrophobicContact CD1-CE1 3.79Å; F187-F366 AromaticContact CD1-CZ 3.73Å; F187-F366 HydrophobicContact CD1-CZ 3.73Å; F187-F366 HydrophobicContact CD2-CZ 4.16Å; F187-F366 AromaticContact CE1-CE1 3.55Å; F187-F366 HydrophobicContact CE1-CE1 3.55Å; F187-F366 AromaticContact CE1-CZ 3.73Å; F187-F366 HydrophobicContact CE1-CZ 3.73Å; F187-F366 HydrophobicContact CE2-CZ 4.15Å; F187-F366 HydrophobicContact CG-CE1 4.48Å; F187-F366 AromaticContact CG-CZ 3.96Å; F187-F366 HydrophobicContact CG-CZ 3.96Å; F187-F366 HydrophobicContact CZ-CE1 4.03Å; F187-F366 AromaticContact CZ-CZ 3.94Å; F187-F366 HydrophobicContact CZ-CZ 3.94Å
367	A	93.8	Very high	89.8	Confident	5 Å²	5	31 Å²	31	4%	0.041	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-75.6	157.7	171.2	0	0	0	0	0	111.2	I339 S340 Y365 A371 L376 T379	I339-A367 HydrophobicContact CG2-CB 3.99Å; S340-A367 WeakPolarHBondContact O-CB 3.33Å; S340-A367 PolarHBondContact O-N 3.01Å; Y365-A367 PolarHBondContact O-N 3.39Å; A367-A371 HydrophobicContact CB-CB 3.69Å; A367-L376 HydrophobicContact CB-CD1 4.47Å; A367-T379 HydrophobicContact CB-CG2 4.05Å
368	Q	88.4	Confident	89.6	Confident	70 Å²	70	34.8 Å²	34.8	33%	0.327	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-68.4	154.4	174.5	-65.6	-61.7	-57	0	0	110.7	K141 D370 A371	K141-Q368 PolarHBondContact O-NE2 3.18Å; Q368-D370 WeakPolarHBondContact CB-OD1 3.42Å; Q368-D370 PolarHBondContact O-N 3.35Å; Q368-A371 VanDerWaalsContact O-CB 3.23Å; Q368-A371 WeakPolarHBondContact O-CB 3.42Å; Q368-A371 PolarHBondContact O-N 3.36Å
369	P	82.3	Confident	89.4	Confident	62 Å²	62	35 Å²	35	40%	0.403	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-19.4	-178.1	-27.1	35.7	0	0	0	115.1	F181 A371	F181-P369 HydrophobicContact CD1-CB 4.27Å; F181-P369 HydrophobicContact CD1-CG 4.37Å; P369-A371 VanDerWaalsContact C-N 3.35Å
370	D	81.6	Confident	89.4	Confident	72 Å²	72	31 Å²	31	39%	0.385	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	12.9	175.9	70.3	-25.5	0	0	0	113.9	Q368 L372 K373 G374 S375	Q368-D370 WeakPolarHBondContact CB-OD1 3.42Å; Q368-D370 PolarHBondContact O-N 3.35Å; D370-L372 PolarHBondContact O-N 3.09Å; D370-K373 HydrophobicContact CB-CB 4.22Å; D370-K373 HydrophobicContact CB-CD 4.15Å; D370-K373 CarbonylContact O-C 3.34Å; D370-K373 VanDerWaalsContact O-CA 3.32Å; D370-K373 WeakPolarHBondContact O-CA 3.49Å; D370-K373 VanDerWaalsContact O-CB 3.28Å; D370-K373 WeakPolarHBondContact O-CB 3.47Å; D370-K373 PolarHBondContact O-N 3.02Å; D370-G374 PolarHBondContact O-N 3.3Å; D370-G374 VanDerWaalsContact O-N 3.17Å; D370-S375 VanDerWaalsContact CG-CB 3.49Å; D370-S375 PolarHBondContact O-N 2.84Å; D370-S375 PolarHBondContact O-OG 3.28Å; D370-S375 VanDerWaalsContact OD1-CB 3.29Å; D370-S375 WeakPolarHBondContact OD1-CB 3.4Å; D370-S375 PolarHBondContact OD1-OG 2.85Å; D370-S375 WeakPolarHBondContact OD2-CB 3.22Å; D370-S375 PolarHBondContact OD2-OG 2.96Å
371	A	84.2	Confident	89.4	Confident	2 Å²	2	34.7 Å²	34.7	2%	0.017	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-51.3	-52.7	-178.5	0	0	0	0	0	112.5	A367 Q368 P369 K373 G374 S375 L376	A367-A371 HydrophobicContact CB-CB 3.69Å; Q368-A371 VanDerWaalsContact O-CB 3.23Å; Q368-A371 WeakPolarHBondContact O-CB 3.42Å; Q368-A371 PolarHBondContact O-N 3.36Å; P369-A371 VanDerWaalsContact C-N 3.35Å; A371-K373 PolarHBondContact O-N 3.36Å; A371-G374 PolarHBondContact O-N 3.45Å; A371-S375 VanDerWaalsContact CA-OG 3.26Å; A371-S375 WeakPolarHBondContact CA-OG 3.25Å; A371-S375 PolarHBondContact N-OG 3.22Å; A371-S375 VanDerWaalsContact N-OG 3.17Å; A371-S375 PolarHBondContact O-N 3.02Å; A371-L376 HydrophobicContact CB-CB 4.17Å; A371-L376 HydrophobicContact CB-CD1 4.36Å; A371-L376 VanDerWaalsContact O-CB 3.29Å; A371-L376 WeakPolarHBondContact O-CB 3.48Å; A371-L376 PolarHBondContact O-N 3.19Å
372	L	72.8	Confident	89.2	Confident	73 Å²	73	39.4 Å²	39.4	38%	0.382	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-71.7	-10.7	179.1	-64.4	178.2	0	0	0	113.6	Y341 D370 V394	Y341-L372 HydrophobicContact CD2-CD2 3.67Å; Y341-L372 HydrophobicContact CD2-CG 4.33Å; Y341-L372 HydrophobicContact CE2-CD2 3.75Å; D370-L372 PolarHBondContact O-N 3.09Å; L372-V394 HydrophobicContact CD2-CG2 4.26Å
373	K	70.6	Confident	89.1	Confident	104 Å²	104	39.8 Å²	39.8	45%	0.452	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-93.6	-4.3	176.3	-58.1	171.6	163.5	-156.6	0	112.6	D370 A371 V639 E640	D370-K373 HydrophobicContact CB-CB 4.22Å; D370-K373 HydrophobicContact CB-CD 4.15Å; D370-K373 CarbonylContact O-C 3.34Å; D370-K373 VanDerWaalsContact O-CA 3.32Å; D370-K373 WeakPolarHBondContact O-CA 3.49Å; D370-K373 VanDerWaalsContact O-CB 3.28Å; D370-K373 WeakPolarHBondContact O-CB 3.47Å; D370-K373 PolarHBondContact O-N 3.02Å; A371-K373 PolarHBondContact O-N 3.36Å; K373-V639 HydrophobicContact CB-CG1 4.16Å; K373-V639 WeakPolarHBondContact CD-O 2.91Å; K373-V639 WeakPolarHBondContact CE-O 3.16Å; K373-V639 PolarHBondContact NZ-O 3.37Å; K373-E640 PolarHBondContact NZ-O 2.47Å
374	G	73.7	Confident	89	Confident	59 Å²	59	41.6 Å²	41.6	61%	0.608	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	134.3	-10.6	169.5	0	0	0	0	0	115.1	D370 A371 L376	D370-G374 PolarHBondContact O-N 3.3Å; D370-G374 VanDerWaalsContact O-N 3.17Å; A371-G374 PolarHBondContact O-N 3.45Å; G374-L376 VanDerWaalsContact C-N 3.34Å
375	S	87	Confident	88.9	Confident	13 Å²	13	41.4 Å²	41.4	9%	0.091	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.9	-177.8	74.8	0	0	0	0	114	D370 A371 V377 N378 T379	D370-S375 VanDerWaalsContact CG-CB 3.49Å; D370-S375 PolarHBondContact O-N 2.84Å; D370-S375 PolarHBondContact O-OG 3.28Å; D370-S375 VanDerWaalsContact OD1-CB 3.29Å; D370-S375 WeakPolarHBondContact OD1-CB 3.4Å; D370-S375 PolarHBondContact OD1-OG 2.85Å; D370-S375 WeakPolarHBondContact OD2-CB 3.22Å; D370-S375 PolarHBondContact OD2-OG 2.96Å; A371-S375 VanDerWaalsContact CA-OG 3.26Å; A371-S375 WeakPolarHBondContact CA-OG 3.25Å; A371-S375 PolarHBondContact N-OG 3.22Å; A371-S375 VanDerWaalsContact N-OG 3.17Å; A371-S375 PolarHBondContact O-N 3.02Å; S375-V377 VanDerWaalsContact C-N 3.29Å; S375-V377 PolarHBondContact O-N 3.19Å; S375-V377 VanDerWaalsContact O-N 3.16Å; S375-N378 WeakPolarHBondContact O-CA 3.47Å; S375-N378 VanDerWaalsContact O-CB 3.26Å; S375-N378 WeakPolarHBondContact O-CB 3.45Å; S375-N378 PolarHBondContact O-N 3.31Å; S375-T379 PolarHBondContact O-N 3.06Å
376	L	90.7	Very high	88.8	Confident	11 Å²	11	40.9 Å²	40.9	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-51.5	-45.2	-175.7	178.2	60.3	0	0	0	112.9	I339 Y341 A367 A371 G374 N378 T379 M380 F388 V394 M398	I339-L376 HydrophobicContact CG2-CD1 4.17Å; Y341-L376 HydrophobicContact CD1-CD1 3.93Å; Y341-L376 HydrophobicContact CD2-CD1 4.13Å; Y341-L376 HydrophobicContact CD2-CD2 4.01Å; Y341-L376 HydrophobicContact CE1-CD1 4.36Å; Y341-L376 HydrophobicContact CE1-CD2 4.44Å; Y341-L376 HydrophobicContact CE2-CD2 3.72Å; Y341-L376 HydrophobicContact CG-CD1 3.81Å; Y341-L376 HydrophobicContact CG-CD2 4.47Å; A367-L376 HydrophobicContact CB-CD1 4.47Å; A371-L376 HydrophobicContact CB-CB 4.17Å; A371-L376 HydrophobicContact CB-CD1 4.36Å; A371-L376 VanDerWaalsContact O-CB 3.29Å; A371-L376 WeakPolarHBondContact O-CB 3.48Å; A371-L376 PolarHBondContact O-N 3.19Å; G374-L376 VanDerWaalsContact C-N 3.34Å; L376-N378 PolarHBondContact O-N 3.05Å; L376-T379 WeakPolarHBondContact O-CB 3.33Å; L376-T379 PolarHBondContact O-N 2.85Å; L376-T379 VanDerWaalsContact O-N 3.11Å; L376-M380 HydrophobicContact CD1-CG 4.32Å; L376-M380 HydrophobicContact CG-CG 4.22Å; L376-M380 HydrophobicContact CG-SD 4.37Å; L376-M380 WeakPolarHBondContact O-CG 3.41Å; L376-M380 PolarHBondContact O-N 2.85Å; L376-F388 HydrophobicContact CD2-CE2 4.41Å; L376-F388 HydrophobicContact CD2-CZ 4.14Å; L376-V394 HydrophobicContact CD2-CG1 3.94Å; L376-M398 HydrophobicContact CD2-CE 4.08Å
377	V	91.9	Very high	88.7	Confident	35 Å²	35	41 Å²	41	21%	0.212	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-29.2	-180	175.5	0	0	0	0	112.1	S375 M380 K381 M398	S375-V377 VanDerWaalsContact C-N 3.29Å; S375-V377 PolarHBondContact O-N 3.19Å; S375-V377 VanDerWaalsContact O-N 3.16Å; V377-M380 PolarHBondContact O-N 3.3Å; V377-K381 HydrophobicContact CG1-CD 4.39Å; V377-K381 VanDerWaalsContact O-CG 3.3Å; V377-K381 WeakPolarHBondContact O-CG 3.46Å; V377-K381 PolarHBondContact O-N 3.45Å; V377-M398 HydrophobicContact CG2-CE 4.38Å
378	N	91.8	Very high	88.7	Confident	88 Å²	88	40.9 Å²	40.9	47%	0.471	22%	0.224	S	C	.	.	H	α-helix	trans	-67.7	-47.5	174.9	-59.7	-25.1	0	0	0	110	S375 L376 M380 K381 E382	S375-N378 WeakPolarHBondContact O-CA 3.47Å; S375-N378 VanDerWaalsContact O-CB 3.26Å; S375-N378 WeakPolarHBondContact O-CB 3.45Å; S375-N378 PolarHBondContact O-N 3.31Å; L376-N378 PolarHBondContact O-N 3.05Å; N378-M380 VanDerWaalsContact C-N 3.28Å; N378-M380 PolarHBondContact O-N 3.02Å; N378-K381 WeakPolarHBondContact O-CB 3.3Å; N378-K381 PolarHBondContact O-N 3.45Å; N378-K381 VanDerWaalsContact O-N 3.16Å; N378-E382 WeakPolarHBondContact O-CG 3.46Å; N378-E382 PolarHBondContact O-N 3.48Å
379	T	93.3	Very high	89	Confident	6 Å²	6	38.2 Å²	38.2	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-40.8	172.3	-53.9	0	0	0	0	111.4	I339 Y365 A367 S375 L376 K381 E382 A383	I339-T379 HydrophobicContact CG2-CG2 3.92Å; Y365-T379 HydrophobicContact CD1-CG2 3.96Å; Y365-T379 HydrophobicContact CE1-CG2 4.46Å; A367-T379 HydrophobicContact CB-CG2 4.05Å; S375-T379 PolarHBondContact O-N 3.06Å; L376-T379 WeakPolarHBondContact O-CB 3.33Å; L376-T379 PolarHBondContact O-N 2.85Å; L376-T379 VanDerWaalsContact O-N 3.11Å; T379-K381 VanDerWaalsContact C-N 3.33Å; T379-K381 PolarHBondContact O-N 3.33Å; T379-E382 PolarHBondContact O-N 2.8Å; T379-E382 VanDerWaalsContact O-N 3.17Å; T379-A383 VanDerWaalsContact O-CB 3.3Å; T379-A383 WeakPolarHBondContact O-CB 3.32Å; T379-A383 PolarHBondContact O-N 3.2Å
380	M	95.5	Very high	89.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-37.2	177.8	-48.8	-150.3	-36.3	0	0	112.8	I339 L376 V377 N378 E382 H384 P385 F388 M398 L460 L462	I339-M380 HydrophobicContact CD1-CB 3.89Å; I339-M380 HydrophobicContact CD1-CG 3.55Å; I339-M380 HydrophobicContact CD1-SD 4.31Å; L376-M380 HydrophobicContact CD1-CG 4.32Å; L376-M380 HydrophobicContact CG-CG 4.22Å; L376-M380 HydrophobicContact CG-SD 4.37Å; L376-M380 WeakPolarHBondContact O-CG 3.41Å; L376-M380 PolarHBondContact O-N 2.85Å; V377-M380 PolarHBondContact O-N 3.3Å; N378-M380 VanDerWaalsContact C-N 3.28Å; N378-M380 PolarHBondContact O-N 3.02Å; M380-E382 VanDerWaalsContact C-N 3.32Å; M380-H384 WeakPolarHBondContact O-CA 3.31Å; M380-H384 PolarHBondContact O-N 3.45Å; M380-P385 WeakPolarHBondContact O-CD 3.44Å; M380-F388 HydrophobicContact SD-CD2 3.66Å; M380-F388 HydrophobicContact SD-CE1 4.29Å; M380-F388 HydrophobicContact SD-CE2 3.31Å; M380-F388 WeakPolarHBondContact SD-CE2 3.38Å; M380-F388 HydrophobicContact SD-CG 4.29Å; M380-F388 HydrophobicContact SD-CZ 3.66Å; M380-M398 HydrophobicContact CE-CE 3.8Å; M380-M398 HydrophobicContact CE-SD 4.47Å; M380-M398 HydrophobicContact SD-CE 3.81Å; M380-L460 VanDerWaalsContact CB-O 3.29Å; M380-L460 WeakPolarHBondContact CB-O 3.03Å; M380-L460 HydrophobicContact CE-CB 4.31Å; M380-L460 WeakPolarHBondContact CE-O 3.33Å; M380-L462 HydrophobicContact CE-CD1 4.2Å; M380-L462 HydrophobicContact CE-CD2 3.65Å; M380-L462 HydrophobicContact CE-CG 3.73Å; M380-L462 HydrophobicContact SD-CD2 4.44Å
381	K	94.8	Very high	89.5	Confident	92 Å²	92	33 Å²	33	40%	0.4	18%	0.181	S	C	.	.	H	α-helix	trans	-69	-29.1	174.9	-74	169.9	179.7	172.4	0	113	V377 N378 T379 H384 A459	V377-K381 HydrophobicContact CG1-CD 4.39Å; V377-K381 VanDerWaalsContact O-CG 3.3Å; V377-K381 WeakPolarHBondContact O-CG 3.46Å; V377-K381 PolarHBondContact O-N 3.45Å; N378-K381 WeakPolarHBondContact O-CB 3.3Å; N378-K381 PolarHBondContact O-N 3.45Å; N378-K381 VanDerWaalsContact O-N 3.16Å; T379-K381 VanDerWaalsContact C-N 3.33Å; T379-K381 PolarHBondContact O-N 3.33Å; K381-H384 PolarHBondContact O-CD2 3.18Å; K381-H384 PolarHBondContact O-NE2 3.18Å; K381-A459 WeakPolarHBondContact CE-O 3.48Å
382	E	92.9	Very high	89.5	Confident	100 Å²	100	33.3 Å²	33.3	47%	0.467	18%	0.183	S	C	.	.	H	α-helix	trans	-78.3	-46.8	175.1	-69.1	175.6	-173.5	0	0	110.9	N378 T379 M380	N378-E382 WeakPolarHBondContact O-CG 3.46Å; N378-E382 PolarHBondContact O-N 3.48Å; T379-E382 PolarHBondContact O-N 2.8Å; T379-E382 VanDerWaalsContact O-N 3.17Å; M380-E382 VanDerWaalsContact C-N 3.32Å
383	A	94.8	Very high	89.6	Confident	7 Å²	7	32.9 Å²	32.9	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-78.6	-28.1	-174	0	0	0	0	0	113.7	R337 I339 Y365 T379	R337-A383 PolarHBondContact NE-O 3.06Å; I339-A383 HydrophobicContact CD1-CB 4.21Å; I339-A383 HydrophobicContact CG1-CB 4.14Å; Y365-A383 HydrophobicContact CD1-CB 4.16Å; Y365-A383 HydrophobicContact CD2-CB 3.83Å; Y365-A383 HydrophobicContact CE2-CB 4.33Å; Y365-A383 HydrophobicContact CG-CB 3.71Å; T379-A383 VanDerWaalsContact O-CB 3.3Å; T379-A383 WeakPolarHBondContact O-CB 3.32Å; T379-A383 PolarHBondContact O-N 3.2Å
384	H	96.3	Very high	90.2	Very high	52 Å²	52	28.6 Å²	28.6	24%	0.241	16%	0.159	C	C	.	.			trans	42.5	66.8	-171.4	-70.9	-83.3	0	0	0	111.9	R337 M380 K381 G461 D463 R464	R337-H384 PolarHBondContact NE-O 3.02Å; R337-H384 PolarHBondContact NH2-O 3.08Å; M380-H384 WeakPolarHBondContact O-CA 3.31Å; M380-H384 PolarHBondContact O-N 3.45Å; K381-H384 PolarHBondContact O-CD2 3.18Å; K381-H384 PolarHBondContact O-NE2 3.18Å; H384-G461 WeakPolarHBondContact CA-O 2.85Å; H384-D463 IonicContact CE1-OD1 3.96Å; H384-D463 PolarHBondContact CE1-OD1 3.25Å; H384-D463 VanDerWaalsContact CE1-OD1 3.3Å; H384-D463 IonicContact CE1-OD2 2.65Å; H384-D463 IonicContact CG-OD1 3.69Å; H384-D463 IonicContact ND1-OD1 3.68Å; H384-D463 PolarHBondContact ND1-OD1 3.02Å; H384-D463 IonicContact ND1-OD2 3.36Å; H384-R464 HydrophobicContact CB-CG 4.49Å
385	P	96.7	Very high	90.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.			trans	-59.2	152.3	-173.2	25.6	-36.1	0	0	0	112	R337 I339 M380 A387 G461 L462 R464 C465	R337-P385 WeakPolarHBondContact O-CA 3.27Å; R337-P385 WeakPolarHBondContact O-CB 3.21Å; I339-P385 HydrophobicContact CD1-CB 4.17Å; I339-P385 HydrophobicContact CD1-CG 3.79Å; I339-P385 HydrophobicContact CG1-CB 4.22Å; I339-P385 HydrophobicContact CG1-CG 4.39Å; M380-P385 WeakPolarHBondContact O-CD 3.44Å; P385-A387 WeakPolarHBondContact CB-O 3.48Å; P385-G461 WeakPolarHBondContact CD-O 3.49Å; P385-L462 HydrophobicContact CG-CD2 4.16Å; P385-R464 CarbonylContact O-C 3.6Å; P385-C465 VanDerWaalsContact O-CA 3.27Å; P385-C465 WeakPolarHBondContact O-CA 3.46Å; P385-C465 WeakPolarHBondContact O-CB 3.41Å; P385-C465 PolarHBondContact O-N 3.32Å; P385-C465 VanDerWaalsContact O-N 3.1Å
386	T	95.4	Very high	90.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-99	-27.9	176.6	62.6	0	0	0	0	111.3	F334 E336 R337 C465 T466	F334-T386 HydrophobicContact CE1-CG2 3.64Å; F334-T386 HydrophobicContact CZ-CG2 3.45Å; F334-T386 VanDerWaalsContact CZ-CG2 3.45Å; E336-T386 WeakPolarHBondContact CA-OG1 3.44Å; E336-T386 VanDerWaalsContact OE2-CB 3.22Å; E336-T386 WeakPolarHBondContact OE2-CB 3.18Å; E336-T386 PolarHBondContact OE2-OG1 3.33Å; R337-T386 HydrophobicContact CB-CG2 4.26Å; R337-T386 PolarHBondContact N-OG1 3.33Å; R337-T386 PolarHBondContact O-N 2.9Å; R337-T386 PolarHBondContact O-OG1 2.71Å; T386-C465 CarbonylContact O-C 3.56Å; T386-C465 VanDerWaalsContact O-CA 3.31Å; T386-C465 WeakPolarHBondContact O-CA 3.42Å; T386-T466 PolarHBondContact O-N 2.92Å; T386-T466 PolarHBondContact O-OG1 2.72Å
387	A	93.6	Very high	90.2	Very high	10 Å²	10	29.7 Å²	29.7	8%	0.083	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.4	165.5	0	0	0	0	0	109.7	R337 V338 P385 K467	R337-A387 PolarHBondContact O-N 2.75Å; V338-A387 HydrophobicContact CG1-CB 4.41Å; P385-A387 WeakPolarHBondContact CB-O 3.48Å; A387-K467 CarbonylContact C-O 3.52Å; A387-K467 VanDerWaalsContact CA-O 3.29Å; A387-K467 WeakPolarHBondContact CA-O 3.41Å; A387-K467 HydrophobicContact CB-CB 4.1Å
388	F	95.2	Very high	90	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.013	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	121.8	-179.9	177.5	-101.6	0	0	0	110.6	Y341 L376 M380 V394 W395 M398 L462 K467 C468 F469	Y341-F388 AromaticContact CE1-CE2 3.76Å; Y341-F388 HydrophobicContact CE1-CE2 3.76Å; Y341-F388 HydrophobicContact CE1-CZ 4.18Å; L376-F388 HydrophobicContact CD2-CE2 4.41Å; L376-F388 HydrophobicContact CD2-CZ 4.14Å; M380-F388 HydrophobicContact SD-CD2 3.66Å; M380-F388 HydrophobicContact SD-CE1 4.29Å; M380-F388 HydrophobicContact SD-CE2 3.31Å; M380-F388 WeakPolarHBondContact SD-CE2 3.38Å; M380-F388 HydrophobicContact SD-CG 4.29Å; M380-F388 HydrophobicContact SD-CZ 3.66Å; F388-V394 HydrophobicContact CE1-CG1 4.43Å; F388-V394 HydrophobicContact CZ-CG1 4.11Å; F388-W395 AromaticContact CD1-CH2 3.37Å; F388-W395 HydrophobicContact CD1-CH2 3.37Å; F388-W395 AromaticContact CD1-CZ2 3.43Å; F388-W395 HydrophobicContact CD1-CZ2 3.43Å; F388-W395 VanDerWaalsContact CD1-CZ2 3.43Å; F388-W395 HydrophobicContact CD1-CZ3 4.28Å; F388-W395 AromaticContact CE1-CH2 3.67Å; F388-W395 HydrophobicContact CE1-CH2 3.67Å; F388-W395 AromaticContact CE1-CZ2 3.63Å; F388-W395 HydrophobicContact CE1-CZ2 3.63Å; F388-W395 HydrophobicContact CE1-CZ3 4.22Å; F388-M398 HydrophobicContact CE1-CE 4.06Å; F388-M398 HydrophobicContact CZ-CE 3.81Å; F388-L462 HydrophobicContact CB-CD2 4.1Å; F388-L462 HydrophobicContact CG-CD2 4.3Å; F388-K467 PolarHBondContact N-O 2.83Å; F388-C468 CarbonylContact O-C 3.6Å; F388-C468 WeakPolarHBondContact O-CA 3.4Å; F388-F469 PolarHBondContact O-N 3.43Å
389	M	93.4	Very high	89.8	Confident	14 Å²	14	24.7 Å²	24.7	7%	0.069	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.5	174.1	179.6	56.1	178.9	0	0	109.8	Y341 L342 V352 F469 L493	Y341-M389 WeakPolarHBondContact CE1-O 3.46Å; Y341-M389 PolarHBondContact OH-O 3.44Å; L342-M389 HydrophobicContact CD1-CG 4.23Å; V352-M389 HydrophobicContact CG1-CB 4.44Å; V352-M389 HydrophobicContact CG2-CB 4.24Å; V352-M389 HydrophobicContact CG2-CG 4.38Å; M389-F469 HydrophobicContact SD-CB 3.44Å; M389-F469 WeakPolarHBondContact SD-CB 3.31Å; M389-L493 HydrophobicContact CE-CD1 4.17Å; M389-L493 HydrophobicContact CE-CD2 4Å; M389-L493 HydrophobicContact CE-CG 4.21Å; M389-L493 HydrophobicContact SD-CD2 4.04Å
390	G	90.2	Very high	89.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.4	175.4	0	0	0	0	0	112.4	Y341 W395 F469 T470	Y341-G390 VanDerWaalsContact OH-CA 3.31Å; Y341-G390 WeakPolarHBondContact OH-CA 2.97Å; G390-W395 PolarHBondContact O-NE1 3.32Å; G390-F469 PolarHBondContact N-O 2.85Å; G390-T470 WeakPolarHBondContact O-CA 3.31Å; G390-T470 VanDerWaalsContact O-CB 3.29Å; G390-T470 WeakPolarHBondContact O-CB 3.12Å; G390-T470 PolarHBondContact O-OG1 3.18Å
391	V	85.3	Confident	88.8	Confident	24 Å²	24	33.7 Å²	33.7	15%	0.145	16%	0.156	C	C	.	.			trans	-65.7	155.4	166.7	-61.7	0	0	0	0	109.8	L342 R393 V394 A472	L342-V391 HydrophobicContact CD1-CG1 4.45Å; L342-V391 HydrophobicContact CD2-CG1 4.1Å; L342-V391 HydrophobicContact CD2-CG2 4.37Å; V391-R393 PolarHBondContact O-N 3.08Å; V391-V394 HydrophobicContact CG2-CB 4.44Å; V391-V394 HydrophobicContact CG2-CG2 3.7Å; V391-V394 WeakPolarHBondContact O-CB 3.32Å; V391-V394 PolarHBondContact O-N 2.76Å; V391-A472 HydrophobicContact CG1-CB 4.32Å
392	P	82.8	Confident	88.5	Confident	8 Å²	8	31.2 Å²	31.2	5%	0.052	15%	0.146	C	C	.	.	H	α-helix	trans	-48.1	-44.1	-174.7	-30.7	33.6	0	0	0	113.7	V394 W395 E396 G471 A473 P474 I475	P392-V394 PolarHBondContact O-N 3.34Å; P392-W395 WeakPolarHBondContact O-CB 3.44Å; P392-W395 PolarHBondContact O-N 2.93Å; P392-E396 WeakPolarHBondContact O-CG 3.49Å; P392-E396 PolarHBondContact O-N 2.97Å; P392-G471 WeakPolarHBondContact CD-O 3.3Å; P392-A473 HydrophobicContact CG-CB 4.03Å; P392-A473 WeakPolarHBondContact CG-O 3.34Å; P392-P474 VanDerWaalsContact CG-O 3.28Å; P392-P474 WeakPolarHBondContact CG-O 3.27Å; P392-I475 HydrophobicContact CB-CB 3.99Å; P392-I475 HydrophobicContact CB-CD1 4.47Å; P392-I475 HydrophobicContact CB-CG1 4.09Å; P392-I475 HydrophobicContact CG-CB 3.99Å
393	R	76.1	Confident	88.2	Confident	64 Å²	64	31 Å²	31	24%	0.242	14%	0.144	C	C	.	.	H	α-helix	trans	-59.8	-30.2	179.8	-169.2	55.5	170.9	171	-0.7	114.1	V391 E396 K397	V391-R393 PolarHBondContact O-N 3.08Å; R393-E396 VanDerWaalsContact CD-OE2 3.26Å; R393-E396 WeakPolarHBondContact CD-OE2 3.37Å; R393-E396 IonicContact NH1-OE2 3.83Å; R393-E396 PolarHBondContact NH1-OE2 2.86Å; R393-E396 VanDerWaalsContact NH1-OE2 3.12Å; R393-K397 WeakPolarHBondContact O-CB 3.32Å; R393-K397 WeakPolarHBondContact O-CG 3.43Å; R393-K397 PolarHBondContact O-N 2.86Å
394	V	83.8	Confident	87.6	Confident	14 Å²	14	31.5 Å²	31.5	9%	0.085	15%	0.147	C	C	.	.	H	α-helix	trans	-68.9	-45.8	175.8	173.3	0	0	0	0	109.9	Y341 L372 L376 F388 V391 P392 K397 M398	Y341-V394 HydrophobicContact CE2-CG2 4.05Å; L372-V394 HydrophobicContact CD2-CG2 4.26Å; L376-V394 HydrophobicContact CD2-CG1 3.94Å; F388-V394 HydrophobicContact CE1-CG1 4.43Å; F388-V394 HydrophobicContact CZ-CG1 4.11Å; V391-V394 HydrophobicContact CG2-CB 4.44Å; V391-V394 HydrophobicContact CG2-CG2 3.7Å; V391-V394 WeakPolarHBondContact O-CB 3.32Å; V391-V394 PolarHBondContact O-N 2.76Å; P392-V394 PolarHBondContact O-N 3.34Å; V394-K397 PolarHBondContact O-N 3.02Å; V394-M398 HydrophobicContact CG1-CE 3.83Å; V394-M398 WeakPolarHBondContact O-CG 3.39Å; V394-M398 PolarHBondContact O-N 3.02Å
395	W	88	Confident	87	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-44.2	177.1	-65.7	115.8	0	0	0	112.1	F388 G390 P392 K397 M398 Q399 L462 C468 F469 I475 T479 F483 L490	F388-W395 AromaticContact CD1-CH2 3.37Å; F388-W395 HydrophobicContact CD1-CH2 3.37Å; F388-W395 AromaticContact CD1-CZ2 3.43Å; F388-W395 HydrophobicContact CD1-CZ2 3.43Å; F388-W395 VanDerWaalsContact CD1-CZ2 3.43Å; F388-W395 HydrophobicContact CD1-CZ3 4.28Å; F388-W395 AromaticContact CE1-CH2 3.67Å; F388-W395 HydrophobicContact CE1-CH2 3.67Å; F388-W395 AromaticContact CE1-CZ2 3.63Å; F388-W395 HydrophobicContact CE1-CZ2 3.63Å; F388-W395 HydrophobicContact CE1-CZ3 4.22Å; G390-W395 PolarHBondContact O-NE1 3.32Å; P392-W395 WeakPolarHBondContact O-CB 3.44Å; P392-W395 PolarHBondContact O-N 2.93Å; W395-K397 PolarHBondContact O-N 2.93Å; W395-M398 HydrophobicContact CE3-SD 4.15Å; W395-M398 HydrophobicContact CZ3-SD 4.22Å; W395-M398 WeakPolarHBondContact O-CB 3.49Å; W395-M398 PolarHBondContact O-N 3.15Å; W395-Q399 WeakPolarHBondContact O-CB 3.48Å; W395-Q399 PolarHBondContact O-N 3.23Å; W395-L462 HydrophobicContact CZ3-CD1 4.34Å; W395-C468 HydrophobicContact CH2-CB 3.69Å; W395-C468 HydrophobicContact CZ2-CB 3.93Å; W395-F469 PolarHBondContact NE1-O 2.97Å; W395-F469 VanDerWaalsContact NE1-O 3.16Å; W395-I475 HydrophobicContact CB-CD1 4.27Å; W395-I475 HydrophobicContact CG-CD1 4.48Å; W395-T479 HydrophobicContact CB-CG2 3.92Å; W395-F483 HydrophobicContact CB-CE2 3.93Å; W395-F483 HydrophobicContact CB-CZ 4.49Å; W395-F483 HydrophobicContact CE3-CD1 4.35Å; W395-F483 HydrophobicContact CE3-CD2 4.41Å; W395-F483 AromaticContact CE3-CE1 3.94Å; W395-F483 HydrophobicContact CE3-CE1 3.94Å; W395-F483 HydrophobicContact CE3-CE2 4.01Å; W395-F483 AromaticContact CE3-CZ 3.76Å; W395-F483 HydrophobicContact CE3-CZ 3.76Å; W395-F483 HydrophobicContact CZ3-CD1 4.46Å; W395-F483 HydrophobicContact CZ3-CE1 4.2Å; W395-F483 HydrophobicContact CZ3-CZ 4.47Å; W395-F483 VanDerWaalsContact O-CE2 3.32Å; W395-F483 WeakPolarHBondContact O-CE2 3.23Å; W395-F483 WeakPolarHBondContact O-CZ 3.49Å; W395-L490 HydrophobicContact CB-CD1 4.15Å; W395-L490 HydrophobicContact CD2-CD1 3.82Å; W395-L490 HydrophobicContact CD2-CD2 3.84Å; W395-L490 HydrophobicContact CE3-CD1 4.2Å; W395-L490 HydrophobicContact CE3-CD2 3.8Å; W395-L490 HydrophobicContact CG-CD1 3.8Å; W395-L490 HydrophobicContact CH2-CD2 3.58Å; W395-L490 HydrophobicContact CZ2-CD2 3.63Å; W395-L490 HydrophobicContact CZ3-CD2 3.68Å
396	E	82	Confident	86.4	Confident	23 Å²	23	34.6 Å²	34.6	11%	0.107	18%	0.176	C	C	.	.	H	α-helix	trans	-57.2	-49.6	174.3	-70.2	174.9	169.2	0	0	111.6	P392 R393 M398 Q399 E400 K608	P392-E396 WeakPolarHBondContact O-CG 3.49Å; P392-E396 PolarHBondContact O-N 2.97Å; R393-E396 VanDerWaalsContact CD-OE2 3.26Å; R393-E396 WeakPolarHBondContact CD-OE2 3.37Å; R393-E396 IonicContact NH1-OE2 3.83Å; R393-E396 PolarHBondContact NH1-OE2 2.86Å; R393-E396 VanDerWaalsContact NH1-OE2 3.12Å; E396-M398 VanDerWaalsContact C-N 3.32Å; E396-M398 PolarHBondContact O-N 2.91Å; E396-Q399 WeakPolarHBondContact O-CB 3.38Å; E396-Q399 PolarHBondContact O-N 2.72Å; E396-Q399 VanDerWaalsContact O-N 3.14Å; E396-E400 WeakPolarHBondContact O-CG 3.4Å; E396-E400 PolarHBondContact O-N 2.81Å; E396-K608 IonicContact OE1-NZ 3.93Å
397	K	79.9	Confident	85.6	Confident	83 Å²	83	38 Å²	38	36%	0.361	20%	0.203	S	C	.	.	H	α-helix	trans	-61.2	-39.7	177.3	-79.3	-175.4	173.7	-172	0	112.2	R393 V394 W395 K401	R393-K397 WeakPolarHBondContact O-CB 3.32Å; R393-K397 WeakPolarHBondContact O-CG 3.43Å; R393-K397 PolarHBondContact O-N 2.86Å; V394-K397 PolarHBondContact O-N 3.02Å; W395-K397 PolarHBondContact O-N 2.93Å; K397-K401 WeakPolarHBondContact O-CB 3.41Å; K397-K401 PolarHBondContact O-N 2.59Å
398	M	88.3	Confident	85.1	Confident	13 Å²	13	46 Å²	46	6%	0.064	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-45.9	173.7	-74.4	-175.8	-174.6	0	0	111.1	L376 V377 M380 F388 V394 W395 E396 K401 M402 F483	L376-M398 HydrophobicContact CD2-CE 4.08Å; V377-M398 HydrophobicContact CG2-CE 4.38Å; M380-M398 HydrophobicContact CE-CE 3.8Å; M380-M398 HydrophobicContact CE-SD 4.47Å; M380-M398 HydrophobicContact SD-CE 3.81Å; F388-M398 HydrophobicContact CE1-CE 4.06Å; F388-M398 HydrophobicContact CZ-CE 3.81Å; V394-M398 HydrophobicContact CG1-CE 3.83Å; V394-M398 WeakPolarHBondContact O-CG 3.39Å; V394-M398 PolarHBondContact O-N 3.02Å; W395-M398 HydrophobicContact CE3-SD 4.15Å; W395-M398 HydrophobicContact CZ3-SD 4.22Å; W395-M398 WeakPolarHBondContact O-CB 3.49Å; W395-M398 PolarHBondContact O-N 3.15Å; E396-M398 VanDerWaalsContact C-N 3.32Å; E396-M398 PolarHBondContact O-N 2.91Å; M398-K401 PolarHBondContact O-N 3.11Å; M398-M402 WeakPolarHBondContact O-CB 3.39Å; M398-M402 WeakPolarHBondContact O-CG 3.15Å; M398-M402 PolarHBondContact O-N 3Å; M398-F483 HydrophobicContact CB-CZ 3.98Å
399	Q	88.4	Confident	84.6	Confident	6 Å²	6	47.8 Å²	47.8	3%	0.028	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-47.9	176.3	174	-175.4	15.7	0	0	111.5	W395 E396 M402 K403 D478 T479 F482 F483	W395-Q399 WeakPolarHBondContact O-CB 3.48Å; W395-Q399 PolarHBondContact O-N 3.23Å; E396-Q399 WeakPolarHBondContact O-CB 3.38Å; E396-Q399 PolarHBondContact O-N 2.72Å; E396-Q399 VanDerWaalsContact O-N 3.14Å; Q399-M402 PolarHBondContact O-N 3.24Å; Q399-K403 HydrophobicContact CG-CD 4.17Å; Q399-K403 VanDerWaalsContact NE2-CE 3.32Å; Q399-K403 WeakPolarHBondContact O-CB 3.25Å; Q399-K403 WeakPolarHBondContact O-CG 3.32Å; Q399-K403 PolarHBondContact O-N 3.24Å; Q399-D478 PolarHBondContact NE2-OD2 2.82Å; Q399-T479 PolarHBondContact OE1-OG1 2.85Å; Q399-F482 HydrophobicContact CB-CD1 3.98Å; Q399-F482 HydrophobicContact CB-CE1 3.95Å; Q399-F482 HydrophobicContact CB-CZ 4.45Å; Q399-F482 HydrophobicContact CG-CB 4.34Å; Q399-F482 HydrophobicContact CG-CD1 3.58Å; Q399-F482 HydrophobicContact CG-CD2 3.81Å; Q399-F482 HydrophobicContact CG-CE1 3.72Å; Q399-F482 HydrophobicContact CG-CE2 3.93Å; Q399-F482 HydrophobicContact CG-CG 3.65Å; Q399-F482 HydrophobicContact CG-CZ 3.9Å; Q399-F483 HydrophobicContact CB-CE2 3.93Å; Q399-F483 HydrophobicContact CB-CZ 4.13Å
400	E	82.7	Confident	84.3	Confident	52 Å²	52	50 Å²	50	24%	0.243	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-49.4	177.3	-73.1	176	162.8	0	0	111.2	E396 M402 K403 S404 K634	E396-E400 WeakPolarHBondContact O-CG 3.4Å; E396-E400 PolarHBondContact O-N 2.81Å; E400-M402 VanDerWaalsContact C-N 3.3Å; E400-M402 PolarHBondContact O-N 3.45Å; E400-K403 PolarHBondContact O-N 2.96Å; E400-S404 WeakPolarHBondContact O-CB 3.38Å; E400-S404 PolarHBondContact O-N 2.99Å; E400-K634 WeakPolarHBondContact OE1-CE 3.39Å; E400-K634 IonicContact OE1-NZ 2.83Å; E400-K634 PolarHBondContact OE1-NZ 3.41Å
401	K	84.8	Confident	84.2	Confident	143 Å²	143	54 Å²	54	62%	0.622	29%	0.29	S	S	*	.	H	α-helix	trans	-60.7	-40.2	177.4	-171.4	65.2	173.2	-168.4	0	112	K397 M398 S404 V405	K397-K401 WeakPolarHBondContact O-CB 3.41Å; K397-K401 PolarHBondContact O-N 2.59Å; M398-K401 PolarHBondContact O-N 3.11Å; K401-S404 WeakPolarHBondContact O-CB 3.46Å; K401-S404 PolarHBondContact O-N 3Å; K401-V405 WeakPolarHBondContact O-CG2 3.39Å; K401-V405 PolarHBondContact O-N 2.81Å
402	M	89	Confident	84.3	Confident	39 Å²	39	57.9 Å²	57.9	19%	0.192	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-42.7	177	-71.6	168.1	66.2	0	0	112.1	M398 Q399 E400 S404 V405 G406 V456 L460 F482 F483 L486	M398-M402 WeakPolarHBondContact O-CB 3.39Å; M398-M402 WeakPolarHBondContact O-CG 3.15Å; M398-M402 PolarHBondContact O-N 3Å; Q399-M402 PolarHBondContact O-N 3.24Å; E400-M402 VanDerWaalsContact C-N 3.3Å; E400-M402 PolarHBondContact O-N 3.45Å; M402-S404 VanDerWaalsContact C-N 3.31Å; M402-S404 PolarHBondContact O-N 3.36Å; M402-V405 PolarHBondContact O-N 3.15Å; M402-G406 PolarHBondContact O-N 3.38Å; M402-V456 HydrophobicContact CE-CG1 3.51Å; M402-L460 HydrophobicContact CE-CD1 4.24Å; M402-L460 HydrophobicContact CG-CD2 4.41Å; M402-L460 HydrophobicContact SD-CD1 3.85Å; M402-L460 HydrophobicContact SD-CD2 4.06Å; M402-L460 HydrophobicContact SD-CG 4.46Å; M402-F482 HydrophobicContact CB-CZ 4.14Å; M402-F482 HydrophobicContact CE-CE1 3.91Å; M402-F482 HydrophobicContact CE-CZ 4.15Å; M402-F482 HydrophobicContact SD-CE1 4.16Å; M402-F483 HydrophobicContact SD-CE1 4.09Å; M402-F483 HydrophobicContact SD-CZ 4.5Å; M402-L486 HydrophobicContact CE-CD1 3.37Å
403	K	85.7	Confident	84.5	Confident	96 Å²	96	62.8 Å²	62.8	42%	0.417	34%	0.336	S	S	.	.	H	α-helix	trans	-58.9	-44	173.5	-75	175.9	176.9	175.1	0	110.2	Q399 E400 G406 A407 D478 F482	Q399-K403 HydrophobicContact CG-CD 4.17Å; Q399-K403 VanDerWaalsContact NE2-CE 3.32Å; Q399-K403 WeakPolarHBondContact O-CB 3.25Å; Q399-K403 WeakPolarHBondContact O-CG 3.32Å; Q399-K403 PolarHBondContact O-N 3.24Å; E400-K403 PolarHBondContact O-N 2.96Å; K403-G406 PolarHBondContact O-N 3.33Å; K403-A407 PolarHBondContact O-N 2.84Å; K403-D478 IonicContact NZ-OD2 3.91Å; K403-D478 PolarHBondContact NZ-OD2 2.95Å; K403-F482 HydrophobicContact CD-CE2 4.4Å; K403-F482 HydrophobicContact CG-CE2 3.86Å; K403-F482 HydrophobicContact CG-CZ 4.36Å
404	S	82.3	Confident	85.1	Confident	18 Å²	18	65.5 Å²	65.5	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-59.8	-48.8	176.6	-165.1	0	0	0	0	113.4	E400 K401 M402 A407 E651	E400-S404 WeakPolarHBondContact O-CB 3.38Å; E400-S404 PolarHBondContact O-N 2.99Å; K401-S404 WeakPolarHBondContact O-CB 3.46Å; K401-S404 PolarHBondContact O-N 3Å; M402-S404 VanDerWaalsContact C-N 3.31Å; M402-S404 PolarHBondContact O-N 3.36Å; S404-A407 PolarHBondContact O-N 3.14Å; S404-E651 WeakPolarHBondContact CB-OE1 3.29Å; S404-E651 PolarHBondContact OG-OE1 2.82Å
405	V	83.3	Confident	85.3	Confident	87 Å²	87	72.2 Å²	72.2	53%	0.527	37%	0.374	S	S	.	.	H	α-helix	trans	-65.3	-40.4	177.1	172.5	0	0	0	0	111	K401 M402 A407 K408 S409	K401-V405 WeakPolarHBondContact O-CG2 3.39Å; K401-V405 PolarHBondContact O-N 2.81Å; M402-V405 PolarHBondContact O-N 3.15Å; V405-A407 VanDerWaalsContact C-N 3.32Å; V405-A407 PolarHBondContact O-N 2.78Å; V405-K408 PolarHBondContact O-N 2.74Å; V405-S409 PolarHBondContact O-OG 2.94Å
406	G	83.8	Confident	85.4	Confident	30 Å²	30	74.9 Å²	74.9	31%	0.309	39%	0.391	S	S	.	.	H	α-helix	trans	-62.5	-35.9	175.9	0	0	0	0	0	113.3	M402 K403 K408 S409	M402-G406 PolarHBondContact O-N 3.38Å; K403-G406 PolarHBondContact O-N 3.33Å; G406-K408 PolarHBondContact O-N 2.81Å; G406-S409 VanDerWaalsContact O-CB 3.25Å; G406-S409 WeakPolarHBondContact O-CB 3.18Å; G406-S409 PolarHBondContact O-N 2.63Å; G406-S409 VanDerWaalsContact O-N 3.1Å; G406-S409 PolarHBondContact O-OG 3.05Å
407	A	79.8	Confident	85.8	Confident	70 Å²	70	75.6 Å²	75.6	58%	0.579	40%	0.4	S	S	*	.	H	α-helix	trans	-63.3	-29.3	178	0	0	0	0	0	113	K403 S404 V405 S409	K403-A407 PolarHBondContact O-N 2.84Å; S404-A407 PolarHBondContact O-N 3.14Å; V405-A407 VanDerWaalsContact C-N 3.32Å; V405-A407 PolarHBondContact O-N 2.78Å; A407-S409 VanDerWaalsContact C-N 3.3Å
408	K	82.6	Confident	86.3	Confident	180 Å²	180	74.5 Å²	74.5	78%	0.783	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-4.6	177.2	-60.5	177.9	-175.6	-177.7	0	113.7	V405 G406	V405-K408 PolarHBondContact O-N 2.74Å; G406-K408 PolarHBondContact O-N 2.81Å
409	S	84.3	Confident	86.6	Confident	40 Å²	40	78.6 Å²	78.6	28%	0.28	42%	0.422	S	S	.	.	S	Bend	trans	-79.6	157.3	-178.2	-60	0	0	0	0	112.3	V405 G406 A407 R414	V405-S409 PolarHBondContact O-OG 2.94Å; G406-S409 VanDerWaalsContact O-CB 3.25Å; G406-S409 WeakPolarHBondContact O-CB 3.18Å; G406-S409 PolarHBondContact O-N 2.63Å; G406-S409 VanDerWaalsContact O-N 3.1Å; G406-S409 PolarHBondContact O-OG 3.05Å; A407-S409 VanDerWaalsContact C-N 3.3Å; S409-R414 PolarHBondContact O-NE 3.28Å
410	S	86.4	Confident	86.9	Confident	61 Å²	61	78.3 Å²	78.3	43%	0.427	42%	0.42	S	S	.	.			trans	-61.3	155.9	179.7	78.6	0	0	0	0	111.9	V412 Q413 R414	S410-V412 PolarHBondContact O-N 3.04Å; S410-Q413 WeakPolarHBondContact O-CB 3.46Å; S410-Q413 PolarHBondContact O-N 3.14Å; S410-Q413 WeakPolarHBondContact OG-CG 3.44Å; S410-Q413 PolarHBondContact OG-N 3.47Å; S410-Q413 PolarHBondContact OG-OE1 2.84Å; S410-R414 PolarHBondContact O-N 3.43Å
411	T	87.9	Confident	87.3	Confident	83 Å²	83	78.8 Å²	78.8	51%	0.509	42%	0.421	S	S	.	.	H	α-helix	trans	-56.5	-36.4	-179.7	-56.7	0	0	0	0	112.6	R414 K415	T411-R414 PolarHBondContact O-N 2.96Å; T411-R414 PolarHBondContact OG1-NH2 3.24Å; T411-R414 VanDerWaalsContact OG1-NH2 3.08Å; T411-K415 WeakPolarHBondContact O-CG 3.09Å; T411-K415 PolarHBondContact O-N 2.83Å; T411-K415 VanDerWaalsContact O-N 3.07Å
412	V	89.1	Confident	87.7	Confident	105 Å²	105	76.6 Å²	76.6	64%	0.636	42%	0.417	S	S	*	.	H	α-helix	trans	-65.5	-47.8	175	178.3	0	0	0	0	110.8	S410 R414 K415 V416	S410-V412 PolarHBondContact O-N 3.04Å; V412-R414 VanDerWaalsContact C-N 3.31Å; V412-R414 PolarHBondContact O-N 3.5Å; V412-K415 PolarHBondContact O-N 3.47Å; V412-V416 WeakPolarHBondContact O-CG2 3.19Å; V412-V416 PolarHBondContact O-N 3.45Å
413	Q	86.1	Confident	87.9	Confident	111 Å²	111	75.5 Å²	75.5	52%	0.519	41%	0.412	S	S	.	.	H	α-helix	trans	-60.3	-40.5	177.6	-73.1	170.1	-24.2	0	0	111.9	S410 V416 A417	S410-Q413 WeakPolarHBondContact O-CB 3.46Å; S410-Q413 PolarHBondContact O-N 3.14Å; S410-Q413 WeakPolarHBondContact OG-CG 3.44Å; S410-Q413 PolarHBondContact OG-N 3.47Å; S410-Q413 PolarHBondContact OG-OE1 2.84Å; Q413-V416 PolarHBondContact O-N 3.13Å; Q413-A417 WeakPolarHBondContact O-CB 3.36Å; Q413-A417 PolarHBondContact O-N 2.75Å
414	R	87.8	Confident	88.2	Confident	122 Å²	122	70.9 Å²	70.9	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-63.4	-43.2	176.6	-71.5	-173.6	-69.9	154	1.1	112.3	S409 S410 T411 V412 A417 A418	S409-R414 PolarHBondContact O-NE 3.28Å; S410-R414 PolarHBondContact O-N 3.43Å; T411-R414 PolarHBondContact O-N 2.96Å; T411-R414 PolarHBondContact OG1-NH2 3.24Å; T411-R414 VanDerWaalsContact OG1-NH2 3.08Å; V412-R414 VanDerWaalsContact C-N 3.31Å; V412-R414 PolarHBondContact O-N 3.5Å; R414-A417 PolarHBondContact O-N 2.83Å; R414-A418 WeakPolarHBondContact O-CB 3.32Å; R414-A418 PolarHBondContact O-N 2.83Å
415	K	89.9	Confident	88.6	Confident	154 Å²	154	71.6 Å²	71.6	67%	0.67	39%	0.394	S	S	*	.	H	α-helix	trans	-63	-44.2	175.2	-74.7	-175	177.1	-173.1	0	112.1	T411 V412 A418 W419	T411-K415 WeakPolarHBondContact O-CG 3.09Å; T411-K415 PolarHBondContact O-N 2.83Å; T411-K415 VanDerWaalsContact O-N 3.07Å; V412-K415 PolarHBondContact O-N 3.47Å; K415-A418 PolarHBondContact O-N 2.66Å; K415-W419 WeakPolarHBondContact O-CB 3.44Å; K415-W419 PolarHBondContact O-N 3.29Å
416	V	90.3	Very high	89	Confident	57 Å²	57	72.4 Å²	72.4	35%	0.345	39%	0.392	S	S	.	.	H	α-helix	trans	-63.2	-42	176.6	173.2	0	0	0	0	111.2	V412 Q413 A420 V452	V412-V416 WeakPolarHBondContact O-CG2 3.19Å; V412-V416 PolarHBondContact O-N 3.45Å; Q413-V416 PolarHBondContact O-N 3.13Å; V416-A420 VanDerWaalsContact O-CB 3.32Å; V416-A420 WeakPolarHBondContact O-CB 3.25Å; V416-A420 PolarHBondContact O-N 3.34Å; V416-V452 HydrophobicContact CG1-CG2 4.02Å
417	A	89.4	Confident	89.3	Confident	37 Å²	37	71.6 Å²	71.6	31%	0.306	38%	0.381	S	S	.	.	H	α-helix	trans	-64.5	-45.3	176.9	0	0	0	0	0	111.9	Q413 R414 A420 K421	Q413-A417 WeakPolarHBondContact O-CB 3.36Å; Q413-A417 PolarHBondContact O-N 2.75Å; R414-A417 PolarHBondContact O-N 2.83Å; A417-A420 PolarHBondContact O-N 2.87Å; A417-K421 VanDerWaalsContact O-CG 3.31Å; A417-K421 WeakPolarHBondContact O-CG 2.79Å; A417-K421 PolarHBondContact O-N 2.8Å
418	A	90.8	Very high	89.8	Confident	61 Å²	61	69 Å²	69	50%	0.504	36%	0.358	S	S	.	.	H	α-helix	trans	-60.3	-47.7	177.6	0	0	0	0	0	111.8	R414 K415 A420 K421 D422	R414-A418 WeakPolarHBondContact O-CB 3.32Å; R414-A418 PolarHBondContact O-N 2.83Å; K415-A418 PolarHBondContact O-N 2.66Å; A418-A420 PolarHBondContact O-N 3.16Å; A418-K421 PolarHBondContact O-N 3.21Å; A418-D422 PolarHBondContact O-N 3.45Å
419	W	95	Very high	90.1	Very high	98 Å²	98	62.2 Å²	62.2	37%	0.371	33%	0.33	S	S	.	.	H	α-helix	trans	-57.9	-46.5	173.9	164.5	78.2	0	0	0	112.3	K415 K421 D422 V423 V447 A448	K415-W419 WeakPolarHBondContact O-CB 3.44Å; K415-W419 PolarHBondContact O-N 3.29Å; W419-K421 VanDerWaalsContact C-N 3.31Å; W419-K421 PolarHBondContact O-N 2.86Å; W419-D422 PolarHBondContact O-N 3.35Å; W419-V423 HydrophobicContact CD2-CG2 4.46Å; W419-V423 HydrophobicContact CZ2-CG2 4.21Å; W419-V423 WeakPolarHBondContact O-CG2 3.38Å; W419-V423 PolarHBondContact O-N 3.03Å; W419-V447 HydrophobicContact CH2-CB 4.07Å; W419-V447 HydrophobicContact CH2-CG1 3.85Å; W419-V447 HydrophobicContact CZ3-CG1 4.44Å; W419-A448 HydrophobicContact CH2-CB 3.99Å; W419-A448 HydrophobicContact CZ3-CB 3.95Å
420	A	92.9	Very high	90.2	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.2	-39.4	-179.5	0	0	0	0	0	111.8	V416 A417 A418 G424 A448 V452 F453	V416-A420 VanDerWaalsContact O-CB 3.32Å; V416-A420 WeakPolarHBondContact O-CB 3.25Å; V416-A420 PolarHBondContact O-N 3.34Å; A417-A420 PolarHBondContact O-N 2.87Å; A418-A420 PolarHBondContact O-N 3.16Å; A420-G424 PolarHBondContact O-N 2.81Å; A420-A448 HydrophobicContact CB-CB 3.93Å; A420-V452 HydrophobicContact CB-CB 3.84Å; A420-V452 HydrophobicContact CB-CG1 4.13Å; A420-V452 HydrophobicContact CB-CG2 3.6Å; A420-F453 HydrophobicContact CB-CE1 4.12Å; A420-F453 WeakPolarHBondContact O-CE1 3.03Å; A420-F453 VanDerWaalsContact O-CZ 3.24Å; A420-F453 WeakPolarHBondContact O-CZ 3.43Å
421	K	92.7	Very high	90.1	Very high	62 Å²	62	63.5 Å²	63.5	27%	0.27	33%	0.328	S	S	.	.	H	α-helix	trans	-64.7	-44.6	176.6	-71.6	-177.8	81.8	-167.4	0	111.9	A417 A418 W419 G424 L425 S485 L486	A417-K421 VanDerWaalsContact O-CG 3.31Å; A417-K421 WeakPolarHBondContact O-CG 2.79Å; A417-K421 PolarHBondContact O-N 2.8Å; A418-K421 PolarHBondContact O-N 3.21Å; W419-K421 VanDerWaalsContact C-N 3.31Å; W419-K421 PolarHBondContact O-N 2.86Å; K421-G424 PolarHBondContact O-N 2.72Å; K421-L425 WeakPolarHBondContact O-CB 3.45Å; K421-L425 PolarHBondContact O-N 3.34Å; K421-S485 WeakPolarHBondContact CE-OG 3.34Å; K421-S485 WeakPolarHBondContact O-CB 3.47Å; K421-L486 HydrophobicContact CD-CD2 4.29Å; K421-L486 HydrophobicContact CG-CD2 3.78Å; K421-L486 HydrophobicContact CG-CG 4.45Å
422	D	92.8	Very high	90	Very high	97 Å²	97	61.3 Å²	61.3	52%	0.519	31%	0.312	S	S	.	.	H	α-helix	trans	-59	-52.4	176.6	179	68.3	0	0	0	111.6	A418 W419 G424 L425 Q426	A418-D422 PolarHBondContact O-N 3.45Å; W419-D422 PolarHBondContact O-N 3.35Å; D422-G424 VanDerWaalsContact C-N 3.28Å; D422-G424 PolarHBondContact O-N 3.36Å; D422-L425 PolarHBondContact O-N 3.02Å; D422-Q426 WeakPolarHBondContact O-CG 3.3Å; D422-Q426 PolarHBondContact O-N 3.04Å
423	V	92.3	Very high	89.3	Confident	16 Å²	16	62.4 Å²	62.4	10%	0.097	31%	0.314	C	S	.	.	H	α-helix	trans	-58.1	-41.4	176	171.9	0	0	0	0	111.6	W419 T427 Y445	W419-V423 HydrophobicContact CD2-CG2 4.46Å; W419-V423 HydrophobicContact CZ2-CG2 4.21Å; W419-V423 WeakPolarHBondContact O-CG2 3.38Å; W419-V423 PolarHBondContact O-N 3.03Å; V423-T427 VanDerWaalsContact O-CB 3.27Å; V423-T427 WeakPolarHBondContact O-CB 3.38Å; V423-T427 PolarHBondContact O-N 3.35Å; V423-T427 VanDerWaalsContact O-N 3.13Å; V423-T427 PolarHBondContact O-OG1 2.78Å; V423-Y445 HydrophobicContact CG1-CD2 4.35Å
424	G	92.7	Very high	88.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-48.4	178.9	0	0	0	0	0	112.6	A420 K421 D422 N428	A420-G424 PolarHBondContact O-N 2.81Å; K421-G424 PolarHBondContact O-N 2.72Å; D422-G424 VanDerWaalsContact C-N 3.28Å; D422-G424 PolarHBondContact O-N 3.36Å; G424-N428 WeakPolarHBondContact O-CB 3.44Å; G424-N428 PolarHBondContact O-N 2.87Å; G424-N428 PolarHBondContact O-ND2 2.8Å
425	L	91.8	Very high	86.7	Confident	33 Å²	33	60 Å²	60	17%	0.173	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-52.1	-178	-176.7	59.4	0	0	0	110.7	K421 D422 T427 N428 L429 E481 L484	K421-L425 WeakPolarHBondContact O-CB 3.45Å; K421-L425 PolarHBondContact O-N 3.34Å; D422-L425 PolarHBondContact O-N 3.02Å; L425-T427 VanDerWaalsContact C-N 3.33Å; L425-T427 PolarHBondContact O-N 3.45Å; L425-N428 PolarHBondContact O-N 3.05Å; L425-L429 HydrophobicContact CD1-CD1 3.91Å; L425-L429 HydrophobicContact CD1-CG 4.01Å; L425-L429 HydrophobicContact CG-CD1 3.84Å; L425-L429 HydrophobicContact CG-CG 4.34Å; L425-L429 WeakPolarHBondContact O-CB 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.49Å; L425-L429 PolarHBondContact O-N 2.84Å; L425-E481 HydrophobicContact CD1-CB 4.06Å; L425-E481 HydrophobicContact CD1-CG 4.25Å; L425-L484 HydrophobicContact CD1-CB 4.43Å; L425-L484 HydrophobicContact CD1-CD2 4.17Å; L425-L484 HydrophobicContact CD1-CG 4.48Å
426	Q	90.3	Very high	85	Confident	104 Å²	104	58.4 Å²	58.4	49%	0.486	32%	0.321	S	S	.	.	H	α-helix	trans	-59.3	-43.2	-179.6	-67.1	-60.6	-25.8	0	0	112.2	D422 N428 T430	D422-Q426 WeakPolarHBondContact O-CG 3.3Å; D422-Q426 PolarHBondContact O-N 3.04Å; Q426-N428 PolarHBondContact O-N 3.42Å; Q426-T430 WeakPolarHBondContact O-CB 3.48Å; Q426-T430 PolarHBondContact O-N 2.71Å; Q426-T430 PolarHBondContact O-OG1 2.79Å
427	T	90.1	Very high	82.9	Confident	12 Å²	12	60.5 Å²	60.5	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-43.6	178.6	-57.8	0	0	0	0	111.5	V423 L425 T430 K431 T441 Y445	V423-T427 VanDerWaalsContact O-CB 3.27Å; V423-T427 WeakPolarHBondContact O-CB 3.38Å; V423-T427 PolarHBondContact O-N 3.35Å; V423-T427 VanDerWaalsContact O-N 3.13Å; V423-T427 PolarHBondContact O-OG1 2.78Å; L425-T427 VanDerWaalsContact C-N 3.33Å; L425-T427 PolarHBondContact O-N 3.45Å; T427-T430 PolarHBondContact O-N 2.73Å; T427-K431 HydrophobicContact CG2-CD 4.48Å; T427-K431 WeakPolarHBondContact O-CG 3.26Å; T427-K431 PolarHBondContact O-N 3.28Å; T427-K431 VanDerWaalsContact O-N 3.08Å; T427-T441 HydrophobicContact CG2-CG2 4.43Å; T427-Y445 HydrophobicContact CG2-CD2 3.59Å; T427-Y445 HydrophobicContact CG2-CE2 3.86Å; T427-Y445 HydrophobicContact CG2-CG 3.94Å; T427-Y445 WeakPolarHBondContact OG1-CD2 3.18Å
428	N	91.1	Very high	80.9	Confident	16 Å²	16	62.1 Å²	62.1	9%	0.086	36%	0.358	C	S	.	.	H	α-helix	trans	-74.3	-36.4	-177.5	-75.3	-41.5	0	0	0	112.7	G424 L425 Q426 T430 K431 M432 L484	G424-N428 WeakPolarHBondContact O-CB 3.44Å; G424-N428 PolarHBondContact O-N 2.87Å; G424-N428 PolarHBondContact O-ND2 2.8Å; L425-N428 PolarHBondContact O-N 3.05Å; Q426-N428 PolarHBondContact O-N 3.42Å; N428-T430 VanDerWaalsContact C-N 3.34Å; N428-K431 PolarHBondContact O-N 3.16Å; N428-M432 PolarHBondContact O-N 3.28Å; N428-L484 HydrophobicContact CB-CD1 3.64Å; N428-L484 HydrophobicContact CB-CD2 4.12Å; N428-L484 HydrophobicContact CB-CG 3.63Å; N428-L484 PolarHBondContact ND2-O 3.29Å
429	L	89.4	Confident	79.3	Confident	37 Å²	37	60.2 Å²	60.2	19%	0.194	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-40.1	171	-70.7	175.4	0	0	0	111.8	L425 K431 M432 N433 L484 L513	L425-L429 HydrophobicContact CD1-CD1 3.91Å; L425-L429 HydrophobicContact CD1-CG 4.01Å; L425-L429 HydrophobicContact CG-CD1 3.84Å; L425-L429 HydrophobicContact CG-CG 4.34Å; L425-L429 WeakPolarHBondContact O-CB 3.3Å; L425-L429 WeakPolarHBondContact O-CG 3.49Å; L425-L429 PolarHBondContact O-N 2.84Å; L429-K431 VanDerWaalsContact C-N 3.35Å; L429-K431 PolarHBondContact O-N 2.91Å; L429-M432 HydrophobicContact CD2-CE 4.43Å; L429-M432 WeakPolarHBondContact O-CB 3.37Å; L429-M432 PolarHBondContact O-N 2.76Å; L429-N433 PolarHBondContact O-N 3.25Å; L429-N433 VanDerWaalsContact O-N 3.09Å; L429-N433 PolarHBondContact O-ND2 3.22Å; L429-L484 HydrophobicContact CD2-CD2 4.02Å; L429-L484 HydrophobicContact CG-CD2 4.39Å; L429-L513 HydrophobicContact CD2-CD1 3.67Å
430	T	86.3	Confident	78.1	Confident	57 Å²	57	67 Å²	67	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-42.8	175.8	-56.5	0	0	0	0	111.4	Q426 T427 N428 M432 N433 Q434 A439	Q426-T430 WeakPolarHBondContact O-CB 3.48Å; Q426-T430 PolarHBondContact O-N 2.71Å; Q426-T430 PolarHBondContact O-OG1 2.79Å; T427-T430 PolarHBondContact O-N 2.73Å; N428-T430 VanDerWaalsContact C-N 3.34Å; T430-M432 VanDerWaalsContact C-N 3.27Å; T430-M432 PolarHBondContact O-N 2.83Å; T430-N433 PolarHBondContact O-N 3.29Å; T430-Q434 HydrophobicContact CG2-CG 4.45Å; T430-Q434 WeakPolarHBondContact O-CB 3.22Å; T430-Q434 PolarHBondContact O-N 3.48Å; T430-Q434 VanDerWaalsContact O-N 3.16Å; T430-A439 HydrophobicContact CG2-CB 4.43Å
431	K	84.1	Confident	77.4	Confident	72 Å²	72	69.1 Å²	69.1	31%	0.313	38%	0.381	S	S	.	.	H	α-helix	trans	-63.7	-31.4	176	-75.9	177	178.3	-177	0	113.4	T427 N428 L429 Q434 A439 T441	T427-K431 HydrophobicContact CG2-CD 4.48Å; T427-K431 WeakPolarHBondContact O-CG 3.26Å; T427-K431 PolarHBondContact O-N 3.28Å; T427-K431 VanDerWaalsContact O-N 3.08Å; N428-K431 PolarHBondContact O-N 3.16Å; L429-K431 VanDerWaalsContact C-N 3.35Å; L429-K431 PolarHBondContact O-N 2.91Å; K431-Q434 VanDerWaalsContact O-O 3.08Å; K431-A439 HydrophobicContact CG-CB 4.05Å; K431-T441 WeakPolarHBondContact CE-OG1 3.49Å; K431-T441 PolarHBondContact NZ-OG1 3Å
432	M	85.1	Confident	77.1	Confident	37 Å²	37	68.8 Å²	68.8	18%	0.182	39%	0.385	C	S	.	.	H	α-helix	trans	-72.4	-41	178	-170.1	-177.9	-54.4	0	0	112.1	N428 L429 T430 L484 F511 L513	N428-M432 PolarHBondContact O-N 3.28Å; L429-M432 HydrophobicContact CD2-CE 4.43Å; L429-M432 WeakPolarHBondContact O-CB 3.37Å; L429-M432 PolarHBondContact O-N 2.76Å; T430-M432 VanDerWaalsContact C-N 3.27Å; T430-M432 PolarHBondContact O-N 2.83Å; M432-L484 HydrophobicContact CE-CD2 3.79Å; M432-F511 HydrophobicContact CE-CD1 3.54Å; M432-F511 HydrophobicContact CE-CE1 3.17Å; M432-F511 HydrophobicContact CE-CZ 3.97Å; M432-F511 VanDerWaalsContact CG-O 3.32Å; M432-F511 WeakPolarHBondContact CG-O 3.47Å; M432-L513 HydrophobicContact CE-CD1 4.45Å; M432-L513 HydrophobicContact CE-CD2 4.22Å; M432-L513 HydrophobicContact CE-CG 3.72Å; M432-L513 HydrophobicContact SD-CB 4.25Å; M432-L513 HydrophobicContact SD-CG 3.89Å; M432-L513 PolarHBondContact SD-N 2.85Å
433	N	75.4	Confident	76.9	Confident	127 Å²	127	72.2 Å²	72.2	68%	0.679	40%	0.396	S	S	*	.	H	α-helix	trans	-87.9	-9.7	-174.3	-68.5	-31.3	0	0	0	114.2	L429 T430	L429-N433 PolarHBondContact O-N 3.25Å; L429-N433 VanDerWaalsContact O-N 3.09Å; L429-N433 PolarHBondContact O-ND2 3.22Å; T430-N433 PolarHBondContact O-N 3.29Å
434	Q	65	Low	76.8	Confident	92 Å²	92	73.6 Å²	73.6	43%	0.43	41%	0.406	S	S	.	.	S	Bend	trans	-117.4	144.6	179.1	-64.8	-179.8	-9.8	0	0	109.6	T430 K431 V436	T430-Q434 HydrophobicContact CG2-CG 4.45Å; T430-Q434 WeakPolarHBondContact O-CB 3.22Å; T430-Q434 PolarHBondContact O-N 3.48Å; T430-Q434 VanDerWaalsContact O-N 3.16Å; K431-Q434 VanDerWaalsContact O-O 3.08Å; Q434-V436 PolarHBondContact O-N 2.83Å
435	S	54.6	Low	76.7	Confident	90 Å²	90	73.9 Å²	73.9	63%	0.629	41%	0.407	S	S	*	.			trans	-53.4	130.8	168.4	83.7	0	0	0	0	108.6	A437 A438	S435-A437 PolarHBondContact O-N 2.76Å; S435-A438 PolarHBondContact O-N 2.98Å
436	V	52.6	Low	76.7	Confident	121 Å²	121	76 Å²	76	73%	0.733	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-24	-171.6	179.1	0	0	0	0	113.2	Q434 A438	Q434-V436 PolarHBondContact O-N 2.83Å; V436-A438 VanDerWaalsContact C-N 3.33Å; V436-A438 PolarHBondContact O-N 3.47Å
437	A	46.5	Very low	76.8	Confident	102 Å²	102	73.1 Å²	73.1	84%	0.843	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.5	177.7	0	0	0	0	0	115.8	S435	S435-A437 PolarHBondContact O-N 2.76Å
438	A	47.6	Very low	76.9	Confident	70 Å²	70	72.6 Å²	72.6	58%	0.579	40%	0.402	S	S	*	.	S	Bend	trans	-107.9	-17.6	-170.7	0	0	0	0	0	115.8	S435 V436 R440	S435-A438 PolarHBondContact O-N 2.98Å; V436-A438 VanDerWaalsContact C-N 3.33Å; V436-A438 PolarHBondContact O-N 3.47Å; A438-R440 PolarHBondContact O-N 2.82Å
439	A	58.2	Low	77	Confident	22 Å²	22	76.4 Å²	76.4	18%	0.182	42%	0.418	C	S	.	.			trans	-87.8	90.9	-172	0	0	0	0	0	112.7	T430 K431 T441	T430-A439 HydrophobicContact CG2-CB 4.43Å; K431-A439 HydrophobicContact CG-CB 4.05Å; A439-T441 PolarHBondContact O-N 3.08Å; A439-T441 VanDerWaalsContact O-N 3.16Å
440	R	67.9	Low	77.1	Confident	240 Å²	240	82.3 Å²	82.3	91%	0.906	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-63.9	116.8	174.2	-157.1	172.5	-176.1	147.7	-0.1	109.6	A438 P442	A438-R440 PolarHBondContact O-N 2.82Å; R440-P442 WeakPolarHBondContact O-CD 3.09Å
441	T	78.3	Confident	77.3	Confident	45 Å²	45	83.8 Å²	83.8	28%	0.276	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-66.3	122.4	-178.6	-63.7	0	0	0	0	110.3	T427 K431 A439 Y445	T427-T441 HydrophobicContact CG2-CG2 4.43Å; K431-T441 WeakPolarHBondContact CE-OG1 3.49Å; K431-T441 PolarHBondContact NZ-OG1 3Å; A439-T441 PolarHBondContact O-N 3.08Å; A439-T441 VanDerWaalsContact O-N 3.16Å; T441-Y445 HydrophobicContact CG2-CD1 3.27Å; T441-Y445 HydrophobicContact CG2-CE1 4.01Å; T441-Y445 HydrophobicContact CG2-CG 3.76Å
442	P	86.6	Confident	77.8	Confident	54 Å²	54	81.2 Å²	81.2	35%	0.351	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-59.3	148.2	-179	-25.5	34.8	0	0	0	113	R440 S444 Y445 Q446	R440-P442 WeakPolarHBondContact O-CD 3.09Å; P442-S444 WeakPolarHBondContact CB-OG 3.46Å; P442-S444 PolarHBondContact O-N 3.23Å; P442-Y445 VanDerWaalsContact O-CB 3.25Å; P442-Y445 WeakPolarHBondContact O-CB 3.39Å; P442-Y445 PolarHBondContact O-N 3.23Å; P442-Q446 PolarHBondContact O-N 3.28Å
443	F	89.4	Confident	78.2	Confident	170 Å²	170	79.5 Å²	79.5	75%	0.746	43%	0.429	S	S	*	.	H	α-helix	trans	-60.7	-36.6	174.4	-178.9	-100.6	0	0	0	111.9	Y445 Q446 V447	F443-Y445 PolarHBondContact O-N 3.13Å; F443-Q446 WeakPolarHBondContact O-CB 3.44Å; F443-Q446 PolarHBondContact O-N 2.69Å; F443-V447 HydrophobicContact CD1-CG2 4.03Å; F443-V447 HydrophobicContact CE1-CG2 3.62Å; F443-V447 HydrophobicContact CZ-CG2 4.05Å; F443-V447 PolarHBondContact O-N 3.07Å; F443-V447 VanDerWaalsContact O-N 3.11Å
444	S	90.1	Very high	79.1	Confident	44 Å²	44	80.6 Å²	80.6	31%	0.308	43%	0.428	S	S	.	.	H	α-helix	trans	-54.4	-37.5	173.2	52.1	0	0	0	0	112.3	P442 V447 A448	P442-S444 WeakPolarHBondContact CB-OG 3.46Å; P442-S444 PolarHBondContact O-N 3.23Å; S444-V447 PolarHBondContact O-N 2.99Å; S444-A448 WeakPolarHBondContact O-CB 3.31Å; S444-A448 PolarHBondContact O-N 3.01Å
445	Y	91.6	Very high	80.5	Confident	6 Å²	6	83 Å²	83	2%	0.024	44%	0.437	C	S	.	.	H	α-helix	trans	-65.7	-39.9	176.3	-176.4	-91.1	0	0	0	112.2	V423 T427 T441 P442 F443 V447 A448 K449 F453 N487	V423-Y445 HydrophobicContact CG1-CD2 4.35Å; T427-Y445 HydrophobicContact CG2-CD2 3.59Å; T427-Y445 HydrophobicContact CG2-CE2 3.86Å; T427-Y445 HydrophobicContact CG2-CG 3.94Å; T427-Y445 WeakPolarHBondContact OG1-CD2 3.18Å; T441-Y445 HydrophobicContact CG2-CD1 3.27Å; T441-Y445 HydrophobicContact CG2-CE1 4.01Å; T441-Y445 HydrophobicContact CG2-CG 3.76Å; P442-Y445 VanDerWaalsContact O-CB 3.25Å; P442-Y445 WeakPolarHBondContact O-CB 3.39Å; P442-Y445 PolarHBondContact O-N 3.23Å; F443-Y445 PolarHBondContact O-N 3.13Å; Y445-V447 VanDerWaalsContact C-N 3.3Å; Y445-V447 PolarHBondContact O-N 2.85Å; Y445-A448 PolarHBondContact O-N 3.09Å; Y445-K449 VanDerWaalsContact O-CB 3.29Å; Y445-K449 WeakPolarHBondContact O-CB 3.43Å; Y445-K449 PolarHBondContact O-N 3.27Å; Y445-F453 HydrophobicContact CD2-CE2 4.14Å; Y445-F453 AromaticContact CE2-CE2 3.8Å; Y445-F453 HydrophobicContact CE2-CE2 3.8Å; Y445-N487 WeakPolarHBondContact OH-CB 3.35Å; Y445-N487 PolarHBondContact OH-OD1 3.13Å
446	Q	91.4	Very high	82.3	Confident	77 Å²	77	80.1 Å²	80.1	36%	0.36	42%	0.416	S	S	.	.	H	α-helix	trans	-65.1	-36.5	176	-63.2	-62.6	-19.2	0	0	111.9	P442 F443 K450	P442-Q446 PolarHBondContact O-N 3.28Å; F443-Q446 WeakPolarHBondContact O-CB 3.44Å; F443-Q446 PolarHBondContact O-N 2.69Å; Q446-K450 PolarHBondContact O-N 2.86Å
447	V	92.4	Very high	84.3	Confident	45 Å²	45	76.2 Å²	76.2	27%	0.273	39%	0.388	S	S	.	.	H	α-helix	trans	-66.2	-48.8	173.6	177.5	0	0	0	0	110.6	W419 F443 S444 Y445 K449 K450 L451	W419-V447 HydrophobicContact CH2-CB 4.07Å; W419-V447 HydrophobicContact CH2-CG1 3.85Å; W419-V447 HydrophobicContact CZ3-CG1 4.44Å; F443-V447 HydrophobicContact CD1-CG2 4.03Å; F443-V447 HydrophobicContact CE1-CG2 3.62Å; F443-V447 HydrophobicContact CZ-CG2 4.05Å; F443-V447 PolarHBondContact O-N 3.07Å; F443-V447 VanDerWaalsContact O-N 3.11Å; S444-V447 PolarHBondContact O-N 2.99Å; Y445-V447 VanDerWaalsContact C-N 3.3Å; Y445-V447 PolarHBondContact O-N 2.85Å; V447-K449 VanDerWaalsContact C-N 3.29Å; V447-K449 PolarHBondContact O-N 2.92Å; V447-K450 PolarHBondContact O-N 3.22Å; V447-L451 HydrophobicContact CG1-CD1 3.61Å; V447-L451 HydrophobicContact CG1-CG 4.18Å; V447-L451 WeakPolarHBondContact O-CB 3.39Å; V447-L451 WeakPolarHBondContact O-CG 3.29Å; V447-L451 PolarHBondContact O-N 2.89Å
448	A	92.6	Very high	86.7	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-58.2	-40.7	176.1	0	0	0	0	0	112.1	W419 A420 S444 Y445 K450 L451 V452 F453	W419-A448 HydrophobicContact CH2-CB 3.99Å; W419-A448 HydrophobicContact CZ3-CB 3.95Å; A420-A448 HydrophobicContact CB-CB 3.93Å; S444-A448 WeakPolarHBondContact O-CB 3.31Å; S444-A448 PolarHBondContact O-N 3.01Å; Y445-A448 PolarHBondContact O-N 3.09Å; A448-K450 PolarHBondContact O-N 2.86Å; A448-L451 PolarHBondContact O-N 3Å; A448-V452 PolarHBondContact O-N 3.1Å; A448-F453 HydrophobicContact CB-CE1 4.35Å; A448-F453 HydrophobicContact CB-CE2 3.9Å; A448-F453 HydrophobicContact CB-CZ 3.75Å; A448-F453 PolarHBondContact O-N 3.22Å; A448-F453 VanDerWaalsContact O-N 3.12Å
449	K	91.6	Very high	88.9	Confident	97 Å²	97	77.3 Å²	77.3	42%	0.422	37%	0.371	S	S	.	.	I	π-helix	trans	-57.7	-45.4	175.7	-174.3	177.6	-179.7	178.7	0	112.4	Y445 V447 F453 K454	Y445-K449 VanDerWaalsContact O-CB 3.29Å; Y445-K449 WeakPolarHBondContact O-CB 3.43Å; Y445-K449 PolarHBondContact O-N 3.27Å; V447-K449 VanDerWaalsContact C-N 3.29Å; V447-K449 PolarHBondContact O-N 2.92Å; K449-F453 VanDerWaalsContact CA-CD2 3.44Å; K449-F453 HydrophobicContact CB-CD2 3.98Å; K449-F453 HydrophobicContact CG-CD2 4.48Å; K449-K454 WeakPolarHBondContact O-CB 3.35Å; K449-K454 PolarHBondContact O-N 3.16Å
450	K	92.3	Very high	90.6	Very high	161 Å²	161	76.9 Å²	76.9	70%	0.7	37%	0.366	S	S	*	.	I	π-helix	trans	-75	-43.1	180	-72.7	-176.3	179.8	-179.8	0	112.7	Q446 V447 A448	Q446-K450 PolarHBondContact O-N 2.86Å; V447-K450 PolarHBondContact O-N 3.22Å; A448-K450 PolarHBondContact O-N 2.86Å
451	L	90.9	Very high	92	Very high	87 Å²	87	65.5 Å²	65.5	46%	0.455	32%	0.322	S	S	.	.	I	π-helix	trans	-79.4	-36.3	-172.8	-67.6	-178.1	0	0	0	113.5	V447 A448 K455	V447-L451 HydrophobicContact CG1-CD1 3.61Å; V447-L451 HydrophobicContact CG1-CG 4.18Å; V447-L451 WeakPolarHBondContact O-CB 3.39Å; V447-L451 WeakPolarHBondContact O-CG 3.29Å; V447-L451 PolarHBondContact O-N 2.89Å; A448-L451 PolarHBondContact O-N 3Å; L451-K455 VanDerWaalsContact O-CD 3.31Å; L451-K455 WeakPolarHBondContact O-CD 3.5Å; L451-K455 WeakPolarHBondContact O-CE 3.49Å
452	V	93.1	Very high	92.8	Very high	18 Å²	18	63.3 Å²	63.3	11%	0.109	31%	0.309	C	S	.	.	I	π-helix	trans	-121.4	-62.4	-170.9	-176.9	0	0	0	0	111.6	V416 A420 A448 K454 K455 V456	V416-V452 HydrophobicContact CG1-CG2 4.02Å; A420-V452 HydrophobicContact CB-CB 3.84Å; A420-V452 HydrophobicContact CB-CG1 4.13Å; A420-V452 HydrophobicContact CB-CG2 3.6Å; A448-V452 PolarHBondContact O-N 3.1Å; V452-K454 PolarHBondContact O-N 3.08Å; V452-K455 WeakPolarHBondContact O-CB 3.48Å; V452-K455 PolarHBondContact O-N 2.91Å; V452-V456 HydrophobicContact CG1-CG2 4.08Å; V452-V456 PolarHBondContact O-N 2.74Å
453	F	94	Very high	93.3	Very high	1 Å²	1	63.7 Å²	63.7	0%	0.004	31%	0.308	C	S	.	.	I	π-helix	trans	-60.6	-43	-167.2	-51	-26.9	0	0	0	113	A420 Y445 A448 K449 K455 V456 R457 S485 L486 N487	A420-F453 HydrophobicContact CB-CE1 4.12Å; A420-F453 WeakPolarHBondContact O-CE1 3.03Å; A420-F453 VanDerWaalsContact O-CZ 3.24Å; A420-F453 WeakPolarHBondContact O-CZ 3.43Å; Y445-F453 HydrophobicContact CD2-CE2 4.14Å; Y445-F453 AromaticContact CE2-CE2 3.8Å; Y445-F453 HydrophobicContact CE2-CE2 3.8Å; A448-F453 HydrophobicContact CB-CE1 4.35Å; A448-F453 HydrophobicContact CB-CE2 3.9Å; A448-F453 HydrophobicContact CB-CZ 3.75Å; A448-F453 PolarHBondContact O-N 3.22Å; A448-F453 VanDerWaalsContact O-N 3.12Å; K449-F453 VanDerWaalsContact CA-CD2 3.44Å; K449-F453 HydrophobicContact CB-CD2 3.98Å; K449-F453 HydrophobicContact CG-CD2 4.48Å; F453-K455 VanDerWaalsContact C-N 3.3Å; F453-K455 PolarHBondContact O-N 3.5Å; F453-V456 PolarHBondContact O-N 3.37Å; F453-R457 WeakPolarHBondContact O-CB 3.42Å; F453-R457 PolarHBondContact O-N 3.4Å; F453-S485 VanDerWaalsContact CE1-O 3.31Å; F453-S485 WeakPolarHBondContact CE1-O 3.1Å; F453-L486 HydrophobicContact CD1-CD2 4.41Å; F453-N487 HydrophobicContact CD2-CB 3.69Å; F453-N487 HydrophobicContact CE2-CB 4.09Å; F453-N487 HydrophobicContact CG-CB 4.18Å
454	K	94.1	Very high	93.5	Very high	150 Å²	150	62.4 Å²	62.4	65%	0.652	30%	0.298	S	S	*	.	H	α-helix	trans	-61.3	-37.7	176.6	-172.3	176	-178.3	178.5	0	112.3	K449 V452 K458	K449-K454 WeakPolarHBondContact O-CB 3.35Å; K449-K454 PolarHBondContact O-N 3.16Å; V452-K454 PolarHBondContact O-N 3.08Å; K454-K458 WeakPolarHBondContact O-CB 3.39Å; K454-K458 PolarHBondContact O-N 2.93Å
455	K	94.3	Very high	93.7	Very high	142 Å²	142	60.3 Å²	60.3	62%	0.617	28%	0.284	S	S	*	.	H	α-helix	trans	-70.6	-42.8	178.1	-63.6	-172.3	-175.1	174.9	0	111.3	L451 V452 F453 K458 A459	L451-K455 VanDerWaalsContact O-CD 3.31Å; L451-K455 WeakPolarHBondContact O-CD 3.5Å; L451-K455 WeakPolarHBondContact O-CE 3.49Å; V452-K455 WeakPolarHBondContact O-CB 3.48Å; V452-K455 PolarHBondContact O-N 2.91Å; F453-K455 VanDerWaalsContact C-N 3.3Å; F453-K455 PolarHBondContact O-N 3.5Å; K455-K458 PolarHBondContact O-N 3.24Å; K455-A459 VanDerWaalsContact O-CB 3.28Å; K455-A459 WeakPolarHBondContact O-CB 3.25Å; K455-A459 PolarHBondContact O-N 3.41Å
456	V	93.5	Very high	93.6	Very high	31 Å²	31	64.1 Å²	64.1	19%	0.188	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-51.1	177	172.1	0	0	0	0	110.6	M402 V452 F453 K458 A459 L460 L486 I488	M402-V456 HydrophobicContact CE-CG1 3.51Å; V452-V456 HydrophobicContact CG1-CG2 4.08Å; V452-V456 PolarHBondContact O-N 2.74Å; F453-V456 PolarHBondContact O-N 3.37Å; V456-K458 VanDerWaalsContact C-N 3.33Å; V456-K458 PolarHBondContact O-N 3.28Å; V456-A459 PolarHBondContact O-N 3.04Å; V456-A459 VanDerWaalsContact O-N 3.11Å; V456-L460 HydrophobicContact CG1-CD1 4.15Å; V456-L460 WeakPolarHBondContact O-CG 3.36Å; V456-L460 PolarHBondContact O-N 2.91Å; V456-L486 HydrophobicContact CG1-CD1 4.29Å; V456-I488 HydrophobicContact CG1-CD1 4.49Å
457	R	95.2	Very high	93.6	Very high	39 Å²	39	61.5 Å²	61.5	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-55.6	-47.1	176.3	-78.7	174.9	158.4	-108.4	2.6	111.6	F453 A459 L460 G461 L462 D463 C465 N487 I488	F453-R457 WeakPolarHBondContact O-CB 3.42Å; F453-R457 PolarHBondContact O-N 3.4Å; R457-A459 PolarHBondContact O-N 3.49Å; R457-L460 CarbonylContact O-C 3.56Å; R457-L460 PolarHBondContact O-N 3.43Å; R457-G461 CarbonylContact O-C 3.56Å; R457-G461 PolarHBondContact O-N 2.96Å; R457-L462 PolarHBondContact NH1-O 2.96Å; R457-L462 PolarHBondContact O-N 3.04Å; R457-D463 HydrophobicContact CB-CB 4.42Å; R457-D463 PolarHBondContact O-N 3.33Å; R457-C465 PolarHBondContact NH1-O 3.19Å; R457-N487 PolarHBondContact NE-O 3.18Å; R457-N487 VanDerWaalsContact NE-O 3.13Å; R457-N487 PolarHBondContact NH2-O 2.89Å; R457-I488 HydrophobicContact CG-CD1 3.97Å; R457-I488 HydrophobicContact CG-CG1 4.01Å
458	K	95.4	Very high	93.7	Very high	137 Å²	137	59.4 Å²	59.4	60%	0.596	28%	0.283	S	S	*	.	H	α-helix	trans	-62.9	-40	176.3	-172.4	174.9	-178	178.8	0	112.7	K454 K455 V456 L460 G461 D463	K454-K458 WeakPolarHBondContact O-CB 3.39Å; K454-K458 PolarHBondContact O-N 2.93Å; K455-K458 PolarHBondContact O-N 3.24Å; V456-K458 VanDerWaalsContact C-N 3.33Å; V456-K458 PolarHBondContact O-N 3.28Å; K458-L460 PolarHBondContact O-N 3.1Å; K458-G461 PolarHBondContact O-N 2.8Å; K458-G461 VanDerWaalsContact O-N 3.08Å; K458-D463 HydrophobicContact CB-CB 4.19Å
459	A	94.1	Very high	93.9	Very high	57 Å²	57	60.6 Å²	60.6	47%	0.471	29%	0.288	S	S	.	.	H	α-helix	trans	-67.2	-22.9	177.9	0	0	0	0	0	113.1	K381 K455 V456 R457	K381-A459 WeakPolarHBondContact CE-O 3.48Å; K455-A459 VanDerWaalsContact O-CB 3.28Å; K455-A459 WeakPolarHBondContact O-CB 3.25Å; K455-A459 PolarHBondContact O-N 3.41Å; V456-A459 PolarHBondContact O-N 3.04Å; V456-A459 VanDerWaalsContact O-N 3.11Å; R457-A459 PolarHBondContact O-N 3.49Å
460	L	94.6	Very high	94	Very high	14 Å²	14	56 Å²	56	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-91	-13.7	171.6	-63.6	173.1	0	0	0	112.7	M380 M402 V456 R457 K458 L462 I488	M380-L460 VanDerWaalsContact CB-O 3.29Å; M380-L460 WeakPolarHBondContact CB-O 3.03Å; M380-L460 HydrophobicContact CE-CB 4.31Å; M380-L460 WeakPolarHBondContact CE-O 3.33Å; M402-L460 HydrophobicContact CE-CD1 4.24Å; M402-L460 HydrophobicContact CG-CD2 4.41Å; M402-L460 HydrophobicContact SD-CD1 3.85Å; M402-L460 HydrophobicContact SD-CD2 4.06Å; M402-L460 HydrophobicContact SD-CG 4.46Å; V456-L460 HydrophobicContact CG1-CD1 4.15Å; V456-L460 WeakPolarHBondContact O-CG 3.36Å; V456-L460 PolarHBondContact O-N 2.91Å; R457-L460 CarbonylContact O-C 3.56Å; R457-L460 PolarHBondContact O-N 3.43Å; K458-L460 PolarHBondContact O-N 3.1Å; L460-L462 VanDerWaalsContact C-N 3.3Å; L460-L462 HydrophobicContact CB-CB 4.39Å; L460-L462 HydrophobicContact CB-CD1 4.08Å; L460-L462 HydrophobicContact CB-CG 3.96Å; L460-L462 HydrophobicContact CD1-CD1 4.08Å; L460-I488 HydrophobicContact CD1-CD1 4.23Å
461	G	96.1	Very high	93.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	5.4	-168.5	0	0	0	0	0	114.2	H384 P385 R457 K458 D463	H384-G461 WeakPolarHBondContact CA-O 2.85Å; P385-G461 WeakPolarHBondContact CD-O 3.49Å; R457-G461 CarbonylContact O-C 3.56Å; R457-G461 PolarHBondContact O-N 2.96Å; K458-G461 PolarHBondContact O-N 2.8Å; K458-G461 VanDerWaalsContact O-N 3.08Å; G461-D463 VanDerWaalsContact C-N 3.34Å; G461-D463 PolarHBondContact O-N 3.18Å
462	L	96.7	Very high	93	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	17.3	-178.5	-60.6	178.6	0	0	0	113.5	M380 P385 F388 W395 R457 L460 R464 C465	M380-L462 HydrophobicContact CE-CD1 4.2Å; M380-L462 HydrophobicContact CE-CD2 3.65Å; M380-L462 HydrophobicContact CE-CG 3.73Å; M380-L462 HydrophobicContact SD-CD2 4.44Å; P385-L462 HydrophobicContact CG-CD2 4.16Å; F388-L462 HydrophobicContact CB-CD2 4.1Å; F388-L462 HydrophobicContact CG-CD2 4.3Å; W395-L462 HydrophobicContact CZ3-CD1 4.34Å; R457-L462 PolarHBondContact NH1-O 2.96Å; R457-L462 PolarHBondContact O-N 3.04Å; L460-L462 VanDerWaalsContact C-N 3.3Å; L460-L462 HydrophobicContact CB-CB 4.39Å; L460-L462 HydrophobicContact CB-CD1 4.08Å; L460-L462 HydrophobicContact CB-CG 3.96Å; L460-L462 HydrophobicContact CD1-CD1 4.08Å; L462-R464 PolarHBondContact O-N 3.11Å; L462-C465 HydrophobicContact CB-CB 3.94Å; L462-C465 HydrophobicContact CD2-CB 3.75Å; L462-C465 HydrophobicContact CG-CB 4.46Å; L462-C465 PolarHBondContact O-N 2.78Å
463	D	95.2	Very high	92.2	Very high	62 Å²	62	47 Å²	47	33%	0.332	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.1	-179.3	59.1	-60.2	0	0	0	113.7	H384 R457 K458 G461	H384-D463 IonicContact CE1-OD1 3.96Å; H384-D463 PolarHBondContact CE1-OD1 3.25Å; H384-D463 VanDerWaalsContact CE1-OD1 3.3Å; H384-D463 IonicContact CE1-OD2 2.65Å; H384-D463 IonicContact CG-OD1 3.69Å; H384-D463 IonicContact ND1-OD1 3.68Å; H384-D463 PolarHBondContact ND1-OD1 3.02Å; H384-D463 IonicContact ND1-OD2 3.36Å; R457-D463 HydrophobicContact CB-CB 4.42Å; R457-D463 PolarHBondContact O-N 3.33Å; K458-D463 HydrophobicContact CB-CB 4.19Å; G461-D463 VanDerWaalsContact C-N 3.34Å; G461-D463 PolarHBondContact O-N 3.18Å
464	R	94.9	Very high	91.4	Very high	142 Å²	142	50.7 Å²	50.7	54%	0.536	26%	0.263	S	S	.	.	S	Bend	trans	-101.9	-6.4	170	-64.5	-174.2	172.3	-177.2	-5.6	113.4	R337 H384 P385 L462 T466	R337-R464 VanDerWaalsContact NH2-NH1 3.19Å; H384-R464 HydrophobicContact CB-CG 4.49Å; P385-R464 CarbonylContact O-C 3.6Å; L462-R464 PolarHBondContact O-N 3.11Å; R464-T466 PolarHBondContact O-N 2.94Å
465	C	94.4	Very high	90.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.			trans	-79.1	116	-175.9	-169.4	0	0	0	0	110.6	P385 T386 R457 L462 K467	P385-C465 VanDerWaalsContact O-CA 3.27Å; P385-C465 WeakPolarHBondContact O-CA 3.46Å; P385-C465 WeakPolarHBondContact O-CB 3.41Å; P385-C465 PolarHBondContact O-N 3.32Å; P385-C465 VanDerWaalsContact O-N 3.1Å; T386-C465 CarbonylContact O-C 3.56Å; T386-C465 VanDerWaalsContact O-CA 3.31Å; T386-C465 WeakPolarHBondContact O-CA 3.42Å; R457-C465 PolarHBondContact NH1-O 3.19Å; L462-C465 HydrophobicContact CB-CB 3.94Å; L462-C465 HydrophobicContact CD2-CB 3.75Å; L462-C465 HydrophobicContact CG-CB 4.46Å; L462-C465 PolarHBondContact O-N 2.78Å; C465-K467 PolarHBondContact SG-O 2.84Å
466	T	89.6	Confident	90.1	Very high	87 Å²	87	38.5 Å²	38.5	53%	0.534	21%	0.212	S	C	.	.			trans	-98	-22.3	176.3	53.8	0	0	0	0	111.7	T386 R464	T386-T466 PolarHBondContact O-N 2.92Å; T386-T466 PolarHBondContact O-OG1 2.72Å; R464-T466 PolarHBondContact O-N 2.94Å
467	K	90	Very high	89.7	Confident	21 Å²	21	42.1 Å²	42.1	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	101	-172.9	-60.2	170.1	-172.7	173.9	0	110.1	V326 E327 L328 A387 F388 C465 F469	V326-K467 WeakPolarHBondContact O-CE 3.49Å; V326-K467 PolarHBondContact O-NZ 3.25Å; E327-K467 VanDerWaalsContact C-NZ 3.27Å; E327-K467 PolarHBondContact O-NZ 2.99Å; L328-K467 HydrophobicContact CD2-CD 4.02Å; A387-K467 CarbonylContact C-O 3.52Å; A387-K467 VanDerWaalsContact CA-O 3.29Å; A387-K467 WeakPolarHBondContact CA-O 3.41Å; A387-K467 HydrophobicContact CB-CB 4.1Å; F388-K467 PolarHBondContact N-O 2.83Å; C465-K467 PolarHBondContact SG-O 2.84Å; K467-F469 HydrophobicContact CB-CD2 4.27Å; K467-F469 HydrophobicContact CB-CE2 3.53Å; K467-F469 HydrophobicContact CB-CZ 3.89Å; K467-F469 HydrophobicContact CD-CE2 4.44Å; K467-F469 HydrophobicContact CD-CZ 4.43Å; K467-F469 HydrophobicContact CG-CE2 4.43Å; K467-F469 HydrophobicContact CG-CZ 4.42Å
468	C	96.1	Very high	89.2	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.6	175	-67.8	0	0	0	0	108	F388 W395 I488 L490 Y491	F388-C468 CarbonylContact O-C 3.6Å; F388-C468 WeakPolarHBondContact O-CA 3.4Å; W395-C468 HydrophobicContact CH2-CB 3.69Å; W395-C468 HydrophobicContact CZ2-CB 3.93Å; C468-I488 HydrophobicContact CB-CG2 4.27Å; C468-L490 HydrophobicContact CB-CD2 3.8Å; C468-L490 CarbonylContact O-C 3.55Å; C468-L490 WeakPolarHBondContact O-CA 3.48Å; C468-Y491 WeakPolarHBondContact O-CD2 3.43Å; C468-Y491 PolarHBondContact O-N 2.79Å
469	F	95.6	Very high	88.8	Confident	24 Å²	24	37 Å²	37	11%	0.105	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	151.8	-176.3	-65.3	-74.6	0	0	0	112	V326 F388 M389 G390 W395 K467 Y491 L493 I505	V326-F469 HydrophobicContact CB-CZ 4.17Å; V326-F469 HydrophobicContact CG1-CE1 4.2Å; V326-F469 HydrophobicContact CG1-CZ 3.93Å; F388-F469 PolarHBondContact O-N 3.43Å; M389-F469 HydrophobicContact SD-CB 3.44Å; M389-F469 WeakPolarHBondContact SD-CB 3.31Å; G390-F469 PolarHBondContact N-O 2.85Å; W395-F469 PolarHBondContact NE1-O 2.97Å; W395-F469 VanDerWaalsContact NE1-O 3.16Å; K467-F469 HydrophobicContact CB-CD2 4.27Å; K467-F469 HydrophobicContact CB-CE2 3.53Å; K467-F469 HydrophobicContact CB-CZ 3.89Å; K467-F469 HydrophobicContact CD-CE2 4.44Å; K467-F469 HydrophobicContact CD-CZ 4.43Å; K467-F469 HydrophobicContact CG-CE2 4.43Å; K467-F469 HydrophobicContact CG-CZ 4.42Å; F469-Y491 CarbonylContact C-O 3.56Å; F469-Y491 VanDerWaalsContact CA-O 3.25Å; F469-Y491 WeakPolarHBondContact CA-O 3.32Å; F469-Y491 HydrophobicContact CE1-CD2 4.41Å; F469-Y491 HydrophobicContact CE1-CG 4.47Å; F469-L493 HydrophobicContact CB-CD2 4.17Å; F469-L493 HydrophobicContact CD1-CD2 4.36Å; F469-L493 HydrophobicContact CG-CD2 4.45Å; F469-I505 HydrophobicContact CD1-CG2 4.34Å; F469-I505 HydrophobicContact CE1-CG2 3.83Å
470	T	93.4	Very high	88.7	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	153.6	167.9	-161.3	0	0	0	0	111.8	G390 I475 L490 Y491 E492 L493	G390-T470 WeakPolarHBondContact O-CA 3.31Å; G390-T470 VanDerWaalsContact O-CB 3.29Å; G390-T470 WeakPolarHBondContact O-CB 3.12Å; G390-T470 PolarHBondContact O-OG1 3.18Å; T470-I475 HydrophobicContact CG2-CB 4.47Å; T470-I475 HydrophobicContact CG2-CD1 3.93Å; T470-I475 HydrophobicContact CG2-CG2 3.99Å; T470-L490 HydrophobicContact CG2-CB 4.47Å; T470-Y491 PolarHBondContact N-O 3.05Å; T470-E492 HydrophobicContact CG2-CB 4.43Å; T470-E492 HydrophobicContact CG2-CG 3.69Å; T470-E492 CarbonylContact O-C 3.03Å; T470-E492 WeakPolarHBondContact O-CA 3.42Å; T470-L493 PolarHBondContact O-N 2.95Å
471	G	87.8	Confident	88.6	Confident	5 Å²	5	36.1 Å²	36.1	5%	0.052	19%	0.193	C	C	.	.			trans	173	-163	-175.6	0	0	0	0	0	111.5	P392 A473	P392-G471 WeakPolarHBondContact CD-O 3.3Å; G471-A473 PolarHBondContact O-N 2.94Å
472	A	75.4	Confident	88.6	Confident	34 Å²	34	36.8 Å²	36.8	28%	0.281	20%	0.196	S	C	.	.	S	Bend	trans	65.5	-31.9	-169.1	0	0	0	0	0	114.6	V391 K721	V391-A472 HydrophobicContact CG1-CB 4.32Å; A472-K721 WeakPolarHBondContact O-CE 3.39Å; A472-K721 PolarHBondContact O-NZ 3.35Å
473	A	76.9	Confident	88.6	Confident	38 Å²	38	36.8 Å²	36.8	31%	0.314	20%	0.196	S	C	.	.	S	Bend	trans	-141.1	160	173	0	0	0	0	0	110.6	P392 G471	P392-A473 HydrophobicContact CG-CB 4.03Å; P392-A473 WeakPolarHBondContact CG-O 3.34Å; G471-A473 PolarHBondContact O-N 2.94Å
474	P	75.6	Confident	88.5	Confident	79 Å²	79	34 Å²	34	51%	0.513	18%	0.181	S	C	.	.			trans	-58.6	143.2	172.4	-24	35.3	0	0	0	111.9	P392 I601	P392-P474 VanDerWaalsContact CG-O 3.28Å; P392-P474 WeakPolarHBondContact CG-O 3.27Å; P474-I601 HydrophobicContact CB-CG2 4.29Å; P474-I601 HydrophobicContact CG-CG2 4.25Å
475	I	82	Confident	88.6	Confident	13 Å²	13	27.5 Å²	27.5	7%	0.067	16%	0.158	C	C	.	.			trans	-115.2	142.2	175.6	-171.5	167	0	0	0	110	P392 W395 T470 T479 L480 L490 E492	P392-I475 HydrophobicContact CB-CB 3.99Å; P392-I475 HydrophobicContact CB-CD1 4.47Å; P392-I475 HydrophobicContact CB-CG1 4.09Å; P392-I475 HydrophobicContact CG-CB 3.99Å; W395-I475 HydrophobicContact CB-CD1 4.27Å; W395-I475 HydrophobicContact CG-CD1 4.48Å; T470-I475 HydrophobicContact CG2-CB 4.47Å; T470-I475 HydrophobicContact CG2-CD1 3.93Å; T470-I475 HydrophobicContact CG2-CG2 3.99Å; I475-T479 HydrophobicContact CD1-CG2 3.82Å; I475-T479 HydrophobicContact CG1-CG2 4.13Å; I475-L480 HydrophobicContact CD1-CD2 4.12Å; I475-L480 HydrophobicContact CG1-CD2 4.49Å; I475-L480 HydrophobicContact CG1-CG 4.49Å; I475-L480 HydrophobicContact CG2-CD1 3.99Å; I475-L480 HydrophobicContact CG2-CD2 3.7Å; I475-L480 HydrophobicContact CG2-CG 3.85Å; I475-L490 HydrophobicContact CD1-CD1 3.92Å; I475-E492 HydrophobicContact CG2-CG 4.07Å; I475-E492 WeakPolarHBondContact CG2-OE2 3.43Å
476	T	79.1	Confident	88.6	Confident	22 Å²	22	27.8 Å²	27.8	14%	0.135	16%	0.159	C	C	.	.			trans	-70.6	147.4	-179	74.7	0	0	0	0	111.9	D478 T479 L480	T476-D478 VanDerWaalsContact C-N 3.31Å; T476-D478 PolarHBondContact O-N 2.81Å; T476-T479 PolarHBondContact O-N 2.85Å; T476-T479 VanDerWaalsContact O-N 3.17Å; T476-T479 PolarHBondContact OG1-N 2.93Å; T476-T479 PolarHBondContact OG1-OG1 2.92Å; T476-L480 PolarHBondContact O-N 2.74Å; T476-L480 VanDerWaalsContact O-N 3.15Å
477	K	85.3	Confident	88.8	Confident	108 Å²	108	25.2 Å²	25.2	47%	0.47	14%	0.142	S	C	.	.	H	α-helix	trans	-59.3	-39.2	174.7	-175.1	176.3	169.8	-177.4	0	112.5	T479 L480 E481 T514	K477-T479 VanDerWaalsContact C-N 3.31Å; K477-T479 PolarHBondContact O-N 2.85Å; K477-L480 PolarHBondContact O-N 2.58Å; K477-E481 WeakPolarHBondContact CE-OE1 3.25Å; K477-E481 HydrophobicContact CG-CG 4.25Å; K477-E481 IonicContact NZ-OE1 3.49Å; K477-E481 WeakPolarHBondContact O-CB 3.31Å; K477-E481 WeakPolarHBondContact O-CG 3.49Å; K477-E481 PolarHBondContact O-N 3.28Å; K477-T514 HydrophobicContact CB-CG2 4.34Å; K477-T514 HydrophobicContact CG-CG2 4.41Å
478	D	85.3	Confident	89	Confident	65 Å²	65	24.2 Å²	24.2	35%	0.348	14%	0.138	S	C	.	.	H	α-helix	trans	-57.5	-42.9	175.1	174.1	67.9	0	0	0	111.7	Q399 K403 T476 F482	Q399-D478 PolarHBondContact NE2-OD2 2.82Å; K403-D478 IonicContact NZ-OD2 3.91Å; K403-D478 PolarHBondContact NZ-OD2 2.95Å; T476-D478 VanDerWaalsContact C-N 3.31Å; T476-D478 PolarHBondContact O-N 2.81Å; D478-F482 WeakPolarHBondContact O-CB 3.44Å; D478-F482 PolarHBondContact O-N 2.59Å
479	T	86.3	Confident	89	Confident	3 Å²	3	25 Å²	25	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-65.3	-45.9	177.9	-59.3	0	0	0	0	111	W395 Q399 I475 T476 K477 F482 F483 L490	W395-T479 HydrophobicContact CB-CG2 3.92Å; Q399-T479 PolarHBondContact OE1-OG1 2.85Å; I475-T479 HydrophobicContact CD1-CG2 3.82Å; I475-T479 HydrophobicContact CG1-CG2 4.13Å; T476-T479 PolarHBondContact O-N 2.85Å; T476-T479 VanDerWaalsContact O-N 3.17Å; T476-T479 PolarHBondContact OG1-N 2.93Å; T476-T479 PolarHBondContact OG1-OG1 2.92Å; K477-T479 VanDerWaalsContact C-N 3.31Å; K477-T479 PolarHBondContact O-N 2.85Å; T479-F482 PolarHBondContact O-N 3.18Å; T479-F483 HydrophobicContact CG2-CD2 3.91Å; T479-F483 HydrophobicContact CG2-CE2 3.83Å; T479-F483 VanDerWaalsContact O-CD2 3.3Å; T479-F483 WeakPolarHBondContact O-CD2 3.41Å; T479-F483 PolarHBondContact O-N 3.01Å; T479-F483 VanDerWaalsContact O-N 3.14Å; T479-L490 HydrophobicContact CG2-CD1 4.49Å
480	L	92	Very high	89	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-58.7	-50.9	177	-65.7	172.8	0	0	0	111.8	I475 T476 K477 F482 F483 L484 L490 E492 L513 T514	I475-L480 HydrophobicContact CD1-CD2 4.12Å; I475-L480 HydrophobicContact CG1-CD2 4.49Å; I475-L480 HydrophobicContact CG1-CG 4.49Å; I475-L480 HydrophobicContact CG2-CD1 3.99Å; I475-L480 HydrophobicContact CG2-CD2 3.7Å; I475-L480 HydrophobicContact CG2-CG 3.85Å; T476-L480 PolarHBondContact O-N 2.74Å; T476-L480 VanDerWaalsContact O-N 3.15Å; K477-L480 PolarHBondContact O-N 2.58Å; L480-F482 VanDerWaalsContact C-N 3.32Å; L480-F482 PolarHBondContact O-N 2.94Å; L480-F483 PolarHBondContact O-N 2.85Å; L480-L484 VanDerWaalsContact O-CB 3.24Å; L480-L484 WeakPolarHBondContact O-CB 3.34Å; L480-L484 PolarHBondContact O-N 2.98Å; L480-L490 HydrophobicContact CD2-CB 3.86Å; L480-L490 HydrophobicContact CD2-CD1 4.38Å; L480-E492 VanDerWaalsContact CD1-OE1 3.23Å; L480-E492 WeakPolarHBondContact CD1-OE1 3.42Å; L480-E492 HydrophobicContact CD2-CG 4.31Å; L480-L513 HydrophobicContact CB-CD2 3.74Å; L480-L513 HydrophobicContact CD1-CD2 4.22Å; L480-T514 HydrophobicContact CD1-CG2 4.13Å
481	E	93.4	Very high	89.1	Confident	51 Å²	51	24.6 Å²	24.6	24%	0.238	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-36.6	179.1	-72.1	-173.7	173.9	0	0	112	L425 K477 L484 S485 L513	L425-E481 HydrophobicContact CD1-CB 4.06Å; L425-E481 HydrophobicContact CD1-CG 4.25Å; K477-E481 WeakPolarHBondContact CE-OE1 3.25Å; K477-E481 HydrophobicContact CG-CG 4.25Å; K477-E481 IonicContact NZ-OE1 3.49Å; K477-E481 WeakPolarHBondContact O-CB 3.31Å; K477-E481 WeakPolarHBondContact O-CG 3.49Å; K477-E481 PolarHBondContact O-N 3.28Å; E481-L484 PolarHBondContact O-N 2.97Å; E481-S485 VanDerWaalsContact O-CB 3.3Å; E481-S485 WeakPolarHBondContact O-CB 3.48Å; E481-S485 PolarHBondContact O-N 2.82Å; E481-L513 HydrophobicContact CG-CD1 3.86Å
482	F	94.8	Very high	89.4	Confident	14 Å²	14	25.2 Å²	25.2	6%	0.061	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-49.3	176.2	176	-85.7	0	0	0	111.9	Q399 M402 K403 D478 T479 L480 S485 L486	Q399-F482 HydrophobicContact CB-CD1 3.98Å; Q399-F482 HydrophobicContact CB-CE1 3.95Å; Q399-F482 HydrophobicContact CB-CZ 4.45Å; Q399-F482 HydrophobicContact CG-CB 4.34Å; Q399-F482 HydrophobicContact CG-CD1 3.58Å; Q399-F482 HydrophobicContact CG-CD2 3.81Å; Q399-F482 HydrophobicContact CG-CE1 3.72Å; Q399-F482 HydrophobicContact CG-CE2 3.93Å; Q399-F482 HydrophobicContact CG-CG 3.65Å; Q399-F482 HydrophobicContact CG-CZ 3.9Å; M402-F482 HydrophobicContact CB-CZ 4.14Å; M402-F482 HydrophobicContact CE-CE1 3.91Å; M402-F482 HydrophobicContact CE-CZ 4.15Å; M402-F482 HydrophobicContact SD-CE1 4.16Å; K403-F482 HydrophobicContact CD-CE2 4.4Å; K403-F482 HydrophobicContact CG-CE2 3.86Å; K403-F482 HydrophobicContact CG-CZ 4.36Å; D478-F482 WeakPolarHBondContact O-CB 3.44Å; D478-F482 PolarHBondContact O-N 2.59Å; T479-F482 PolarHBondContact O-N 3.18Å; L480-F482 VanDerWaalsContact C-N 3.32Å; L480-F482 PolarHBondContact O-N 2.94Å; F482-S485 PolarHBondContact O-N 3.42Å; F482-S485 PolarHBondContact O-OG 2.54Å; F482-L486 HydrophobicContact CD1-CD1 4.26Å; F482-L486 HydrophobicContact CE1-CD1 3.72Å; F482-L486 HydrophobicContact CZ-CD1 4.07Å
483	F	96.6	Very high	90.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-73.2	-36	179.3	-76.7	-78.2	0	0	0	111.7	W395 M398 Q399 M402 T479 L480 S485 L486 N487 I488 L490	W395-F483 HydrophobicContact CB-CE2 3.93Å; W395-F483 HydrophobicContact CB-CZ 4.49Å; W395-F483 HydrophobicContact CE3-CD1 4.35Å; W395-F483 HydrophobicContact CE3-CD2 4.41Å; W395-F483 AromaticContact CE3-CE1 3.94Å; W395-F483 HydrophobicContact CE3-CE1 3.94Å; W395-F483 HydrophobicContact CE3-CE2 4.01Å; W395-F483 AromaticContact CE3-CZ 3.76Å; W395-F483 HydrophobicContact CE3-CZ 3.76Å; W395-F483 HydrophobicContact CZ3-CD1 4.46Å; W395-F483 HydrophobicContact CZ3-CE1 4.2Å; W395-F483 HydrophobicContact CZ3-CZ 4.47Å; W395-F483 VanDerWaalsContact O-CE2 3.32Å; W395-F483 WeakPolarHBondContact O-CE2 3.23Å; W395-F483 WeakPolarHBondContact O-CZ 3.49Å; M398-F483 HydrophobicContact CB-CZ 3.98Å; Q399-F483 HydrophobicContact CB-CE2 3.93Å; Q399-F483 HydrophobicContact CB-CZ 4.13Å; M402-F483 HydrophobicContact SD-CE1 4.09Å; M402-F483 HydrophobicContact SD-CZ 4.5Å; T479-F483 HydrophobicContact CG2-CD2 3.91Å; T479-F483 HydrophobicContact CG2-CE2 3.83Å; T479-F483 VanDerWaalsContact O-CD2 3.3Å; T479-F483 WeakPolarHBondContact O-CD2 3.41Å; T479-F483 PolarHBondContact O-N 3.01Å; T479-F483 VanDerWaalsContact O-N 3.14Å; L480-F483 PolarHBondContact O-N 2.85Å; F483-S485 VanDerWaalsContact C-N 3.28Å; F483-S485 PolarHBondContact O-N 2.82Å; F483-L486 CarbonylContact O-C 3.45Å; F483-L486 WeakPolarHBondContact O-CA 3.29Å; F483-L486 WeakPolarHBondContact O-CB 3.13Å; F483-L486 PolarHBondContact O-N 3.42Å; F483-N487 PolarHBondContact O-N 2.78Å; F483-I488 CarbonylContact C-O 3.59Å; F483-I488 HydrophobicContact CB-CB 4.24Å; F483-I488 HydrophobicContact CB-CG2 4.48Å; F483-I488 VanDerWaalsContact CB-O 3.25Å; F483-I488 WeakPolarHBondContact CB-O 3.3Å; F483-I488 HydrophobicContact CD1-CB 4.35Å; F483-I488 HydrophobicContact CD1-CD1 4.36Å; F483-I488 HydrophobicContact CD1-CG2 4.27Å; F483-I488 CarbonylContact O-C 3.6Å; F483-I488 PolarHBondContact O-N 2.84Å; F483-L490 HydrophobicContact CB-CD1 4.06Å; F483-L490 HydrophobicContact CB-CD2 4.15Å; F483-L490 HydrophobicContact CB-CG 3.85Å; F483-L490 HydrophobicContact CD2-CD1 3.62Å; F483-L490 HydrophobicContact CD2-CG 4.33Å; F483-L490 HydrophobicContact CE2-CD1 4.35Å; F483-L490 HydrophobicContact CG-CD1 4.01Å; F483-L490 HydrophobicContact CG-CD2 4.27Å; F483-L490 HydrophobicContact CG-CG 4.22Å
484	L	95.1	Very high	91.3	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-38.9	173.1	-167.7	65.6	0	0	0	112	L425 N428 L429 M432 L480 E481 L486 N487 I488 P489 F511 L513	L425-L484 HydrophobicContact CD1-CB 4.43Å; L425-L484 HydrophobicContact CD1-CD2 4.17Å; L425-L484 HydrophobicContact CD1-CG 4.48Å; N428-L484 HydrophobicContact CB-CD1 3.64Å; N428-L484 HydrophobicContact CB-CD2 4.12Å; N428-L484 HydrophobicContact CB-CG 3.63Å; N428-L484 PolarHBondContact ND2-O 3.29Å; L429-L484 HydrophobicContact CD2-CD2 4.02Å; L429-L484 HydrophobicContact CG-CD2 4.39Å; M432-L484 HydrophobicContact CE-CD2 3.79Å; L480-L484 VanDerWaalsContact O-CB 3.24Å; L480-L484 WeakPolarHBondContact O-CB 3.34Å; L480-L484 PolarHBondContact O-N 2.98Å; E481-L484 PolarHBondContact O-N 2.97Å; L484-L486 PolarHBondContact O-N 2.87Å; L484-L486 VanDerWaalsContact O-N 3.14Å; L484-N487 PolarHBondContact O-N 2.59Å; L484-I488 PolarHBondContact N-O 2.89Å; L484-P489 HydrophobicContact CD1-CB 4.07Å; L484-F511 HydrophobicContact CD1-CE1 3.84Å; L484-F511 HydrophobicContact CD1-CZ 4.37Å; L484-L513 HydrophobicContact CD2-CD1 4.3Å; L484-L513 HydrophobicContact CD2-CD2 4.19Å; L484-L513 HydrophobicContact CD2-CG 4.45Å
485	S	95.3	Very high	92.2	Very high	5 Å²	5	21.5 Å²	21.5	4%	0.035	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.6	175	82.2	0	0	0	0	113.7	K421 F453 E481 F482 F483	K421-S485 WeakPolarHBondContact CE-OG 3.34Å; K421-S485 WeakPolarHBondContact O-CB 3.47Å; F453-S485 VanDerWaalsContact CE1-O 3.31Å; F453-S485 WeakPolarHBondContact CE1-O 3.1Å; E481-S485 VanDerWaalsContact O-CB 3.3Å; E481-S485 WeakPolarHBondContact O-CB 3.48Å; E481-S485 PolarHBondContact O-N 2.82Å; F482-S485 PolarHBondContact O-N 3.42Å; F482-S485 PolarHBondContact O-OG 2.54Å; F483-S485 VanDerWaalsContact C-N 3.28Å; F483-S485 PolarHBondContact O-N 2.82Å
486	L	95	Very high	92.8	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.037	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	10.6	178.3	-63.1	169.8	0	0	0	112.6	M402 K421 F453 V456 F482 F483 L484 I488	M402-L486 HydrophobicContact CE-CD1 3.37Å; K421-L486 HydrophobicContact CD-CD2 4.29Å; K421-L486 HydrophobicContact CG-CD2 3.78Å; K421-L486 HydrophobicContact CG-CG 4.45Å; F453-L486 HydrophobicContact CD1-CD2 4.41Å; V456-L486 HydrophobicContact CG1-CD1 4.29Å; F482-L486 HydrophobicContact CD1-CD1 4.26Å; F482-L486 HydrophobicContact CE1-CD1 3.72Å; F482-L486 HydrophobicContact CZ-CD1 4.07Å; F483-L486 CarbonylContact O-C 3.45Å; F483-L486 WeakPolarHBondContact O-CA 3.29Å; F483-L486 WeakPolarHBondContact O-CB 3.13Å; F483-L486 PolarHBondContact O-N 3.42Å; L484-L486 PolarHBondContact O-N 2.87Å; L484-L486 VanDerWaalsContact O-N 3.14Å; L486-I488 VanDerWaalsContact C-N 3.29Å; L486-I488 HydrophobicContact CB-CD1 4.38Å; L486-I488 HydrophobicContact CB-CG1 4.45Å; L486-I488 PolarHBondContact O-N 3.36Å
487	N	93.6	Very high	93.6	Very high	32 Å²	32	22 Å²	22	17%	0.171	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	44.9	-172.3	-176	52.8	0	0	0	112.2	Y445 F453 R457 F483 L484	Y445-N487 WeakPolarHBondContact OH-CB 3.35Å; Y445-N487 PolarHBondContact OH-OD1 3.13Å; F453-N487 HydrophobicContact CD2-CB 3.69Å; F453-N487 HydrophobicContact CE2-CB 4.09Å; F453-N487 HydrophobicContact CG-CB 4.18Å; R457-N487 PolarHBondContact NE-O 3.18Å; R457-N487 VanDerWaalsContact NE-O 3.13Å; R457-N487 PolarHBondContact NH2-O 2.89Å; F483-N487 PolarHBondContact O-N 2.78Å; L484-N487 PolarHBondContact O-N 2.59Å
488	I	95.6	Very high	94.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.095	C	C	.	.			trans	-125.4	80.4	170.7	-55.9	173.7	0	0	0	105.7	V456 R457 L460 C468 F483 L484 L486 L490	V456-I488 HydrophobicContact CG1-CD1 4.49Å; R457-I488 HydrophobicContact CG-CD1 3.97Å; R457-I488 HydrophobicContact CG-CG1 4.01Å; L460-I488 HydrophobicContact CD1-CD1 4.23Å; C468-I488 HydrophobicContact CB-CG2 4.27Å; F483-I488 CarbonylContact C-O 3.59Å; F483-I488 HydrophobicContact CB-CB 4.24Å; F483-I488 HydrophobicContact CB-CG2 4.48Å; F483-I488 VanDerWaalsContact CB-O 3.25Å; F483-I488 WeakPolarHBondContact CB-O 3.3Å; F483-I488 HydrophobicContact CD1-CB 4.35Å; F483-I488 HydrophobicContact CD1-CD1 4.36Å; F483-I488 HydrophobicContact CD1-CG2 4.27Å; F483-I488 CarbonylContact O-C 3.6Å; F483-I488 PolarHBondContact O-N 2.84Å; L484-I488 PolarHBondContact N-O 2.89Å; L486-I488 VanDerWaalsContact C-N 3.29Å; L486-I488 HydrophobicContact CB-CD1 4.38Å; L486-I488 HydrophobicContact CB-CG1 4.45Å; L486-I488 PolarHBondContact O-N 3.36Å; I488-L490 HydrophobicContact CG2-CD2 4.15Å; I488-L490 PolarHBondContact O-N 2.75Å
489	P	94.9	Very high	94.7	Very high	17 Å²	17	14.5 Å²	14.5	11%	0.11	8%	0.079	C	C	.	.			trans	-62.3	132	173.9	27.3	-33.3	0	0	0	109	L484 Y491 F511	L484-P489 HydrophobicContact CD1-CB 4.07Å; P489-Y491 HydrophobicContact CB-CE1 4.07Å; P489-Y491 HydrophobicContact CB-CE2 4.5Å; P489-Y491 HydrophobicContact CG-CE1 4.29Å; P489-Y491 HydrophobicContact CG-CE2 4.09Å; P489-Y491 VanDerWaalsContact CG-OH 3.3Å; P489-Y491 WeakPolarHBondContact CG-OH 3.27Å; P489-F511 HydrophobicContact CB-CE1 4.06Å; P489-F511 HydrophobicContact CB-CZ 4.17Å
490	L	96	Very high	95.2	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113	172	-57.2	-171.6	0	0	0	107.6	W395 C468 T470 I475 T479 L480 F483 I488 F511	W395-L490 HydrophobicContact CB-CD1 4.15Å; W395-L490 HydrophobicContact CD2-CD1 3.82Å; W395-L490 HydrophobicContact CD2-CD2 3.84Å; W395-L490 HydrophobicContact CE3-CD1 4.2Å; W395-L490 HydrophobicContact CE3-CD2 3.8Å; W395-L490 HydrophobicContact CG-CD1 3.8Å; W395-L490 HydrophobicContact CH2-CD2 3.58Å; W395-L490 HydrophobicContact CZ2-CD2 3.63Å; W395-L490 HydrophobicContact CZ3-CD2 3.68Å; C468-L490 HydrophobicContact CB-CD2 3.8Å; C468-L490 CarbonylContact O-C 3.55Å; C468-L490 WeakPolarHBondContact O-CA 3.48Å; T470-L490 HydrophobicContact CG2-CB 4.47Å; I475-L490 HydrophobicContact CD1-CD1 3.92Å; T479-L490 HydrophobicContact CG2-CD1 4.49Å; L480-L490 HydrophobicContact CD2-CB 3.86Å; L480-L490 HydrophobicContact CD2-CD1 4.38Å; F483-L490 HydrophobicContact CB-CD1 4.06Å; F483-L490 HydrophobicContact CB-CD2 4.15Å; F483-L490 HydrophobicContact CB-CG 3.85Å; F483-L490 HydrophobicContact CD2-CD1 3.62Å; F483-L490 HydrophobicContact CD2-CG 4.33Å; F483-L490 HydrophobicContact CE2-CD1 4.35Å; F483-L490 HydrophobicContact CG-CD1 4.01Å; F483-L490 HydrophobicContact CG-CD2 4.27Å; F483-L490 HydrophobicContact CG-CG 4.22Å; I488-L490 HydrophobicContact CG2-CD2 4.15Å; I488-L490 PolarHBondContact O-N 2.75Å; L490-F511 VanDerWaalsContact O-CE2 3.3Å; L490-F511 WeakPolarHBondContact O-CE2 3.46Å
491	Y	95.8	Very high	95.4	Very high	17 Å²	17	14.5 Å²	14.5	7%	0.067	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.6	-179.7	-60.3	-62.9	0	0	0	109.4	C468 F469 T470 P489 S506 P508 F511	C468-Y491 WeakPolarHBondContact O-CD2 3.43Å; C468-Y491 PolarHBondContact O-N 2.79Å; F469-Y491 CarbonylContact C-O 3.56Å; F469-Y491 VanDerWaalsContact CA-O 3.25Å; F469-Y491 WeakPolarHBondContact CA-O 3.32Å; F469-Y491 HydrophobicContact CE1-CD2 4.41Å; F469-Y491 HydrophobicContact CE1-CG 4.47Å; T470-Y491 PolarHBondContact N-O 3.05Å; P489-Y491 HydrophobicContact CB-CE1 4.07Å; P489-Y491 HydrophobicContact CB-CE2 4.5Å; P489-Y491 HydrophobicContact CG-CE1 4.29Å; P489-Y491 HydrophobicContact CG-CE2 4.09Å; P489-Y491 VanDerWaalsContact CG-OH 3.3Å; P489-Y491 WeakPolarHBondContact CG-OH 3.27Å; Y491-S506 WeakPolarHBondContact CB-O 3.32Å; Y491-P508 HydrophobicContact CE1-CG 4.41Å; Y491-P508 HydrophobicContact CE2-CG 4.29Å; Y491-P508 WeakPolarHBondContact OH-CG 3.35Å; Y491-F511 HydrophobicContact CD1-CB 4.42Å; Y491-F511 AromaticContact CD1-CD2 3.71Å; Y491-F511 HydrophobicContact CD1-CD2 3.71Å; Y491-F511 HydrophobicContact CD1-CE2 4.23Å; Y491-F511 HydrophobicContact CD1-CG 4.18Å; Y491-F511 HydrophobicContact CE1-CB 4.16Å; Y491-F511 HydrophobicContact CE1-CD2 4.01Å; Y491-F511 HydrophobicContact CE1-CG 4.03Å
492	E	94.6	Very high	95.5	Very high	18 Å²	18	12.6 Å²	12.6	8%	0.084	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	142.6	177.5	-63.7	-179.3	-110.7	0	0	110.6	T470 I475 L480 S506 T514 S515	T470-E492 HydrophobicContact CG2-CB 4.43Å; T470-E492 HydrophobicContact CG2-CG 3.69Å; T470-E492 CarbonylContact O-C 3.03Å; T470-E492 WeakPolarHBondContact O-CA 3.42Å; I475-E492 HydrophobicContact CG2-CG 4.07Å; I475-E492 WeakPolarHBondContact CG2-OE2 3.43Å; L480-E492 VanDerWaalsContact CD1-OE1 3.23Å; L480-E492 WeakPolarHBondContact CD1-OE1 3.42Å; L480-E492 HydrophobicContact CD2-CG 4.31Å; E492-S506 WeakPolarHBondContact O-CB 3.49Å; E492-S506 PolarHBondContact O-N 3.48Å; E492-S506 PolarHBondContact O-OG 3.07Å; E492-S506 VanDerWaalsContact O-OG 3.13Å; E492-T514 WeakPolarHBondContact OE1-CA 3.26Å; E492-T514 PolarHBondContact OE1-N 2.81Å; E492-S515 WeakPolarHBondContact CB-O 3.47Å
493	L	94.8	Very high	95.6	Very high	33 Å²	33	11.9 Å²	11.9	17%	0.173	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.4	171.2	63.8	86.6	0	0	0	110.4	M389 F469 T470 P502 T504 I505	M389-L493 HydrophobicContact CE-CD1 4.17Å; M389-L493 HydrophobicContact CE-CD2 4Å; M389-L493 HydrophobicContact CE-CG 4.21Å; M389-L493 HydrophobicContact SD-CD2 4.04Å; F469-L493 HydrophobicContact CB-CD2 4.17Å; F469-L493 HydrophobicContact CD1-CD2 4.36Å; F469-L493 HydrophobicContact CG-CD2 4.45Å; T470-L493 PolarHBondContact O-N 2.95Å; L493-P502 HydrophobicContact CD1-CB 4.46Å; L493-T504 WeakPolarHBondContact CA-O 3.2Å; L493-T504 WeakPolarHBondContact CB-O 3.25Å; L493-I505 HydrophobicContact CB-CB 4.38Å; L493-I505 HydrophobicContact CB-CG1 3.98Å; L493-I505 HydrophobicContact CB-CG2 4.34Å
494	Y	95.6	Very high	95.7	Very high	16 Å²	16	11.9 Å²	11.9	6%	0.063	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	144	179.1	173.8	-122.6	0	0	0	111.7	H503 T504 I538 F540 S568 D570 L580 I582	Y494-H503 PolarHBondContact O-N 3.3Å; Y494-T504 PolarHBondContact N-O 3.07Å; Y494-T504 PolarHBondContact O-N 2.98Å; Y494-T504 VanDerWaalsContact O-N 3.14Å; Y494-I538 HydrophobicContact CE1-CD1 3.85Å; Y494-I538 HydrophobicContact CE1-CG2 4.2Å; Y494-F540 HydrophobicContact CD1-CE1 4.26Å; Y494-F540 HydrophobicContact CD1-CZ 4.01Å; Y494-F540 AromaticContact CE1-CE1 3.62Å; Y494-F540 HydrophobicContact CE1-CE1 3.62Å; Y494-F540 AromaticContact CE1-CZ 3.32Å; Y494-F540 HydrophobicContact CE1-CZ 3.32Å; Y494-F540 AromaticContact CZ-CZ 3.68Å; Y494-S568 WeakPolarHBondContact OH-CB 3.48Å; Y494-S568 PolarHBondContact OH-OG 3.23Å; Y494-D570 WeakPolarHBondContact CE2-OD2 3.34Å; Y494-D570 VanDerWaalsContact OH-CB 3.28Å; Y494-D570 WeakPolarHBondContact OH-CB 3.45Å; Y494-D570 PolarHBondContact OH-OD2 2.87Å; Y494-L580 HydrophobicContact CD1-CD2 3.83Å; Y494-L580 HydrophobicContact CE1-CD2 4.27Å; Y494-I582 HydrophobicContact CD1-CD1 4.25Å; Y494-I582 HydrophobicContact CD2-CD1 3.31Å; Y494-I582 HydrophobicContact CD2-CG1 4.34Å; Y494-I582 HydrophobicContact CE1-CD1 4.44Å; Y494-I582 HydrophobicContact CE2-CD1 3.6Å; Y494-I582 HydrophobicContact CE2-CG1 4.43Å; Y494-I582 HydrophobicContact CG-CD1 3.68Å; Y494-I582 HydrophobicContact CG-CG1 4.38Å
495	G	95	Very high	95.7	Very high	24 Å²	24	11.9 Å²	11.9	25%	0.247	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.2	175.9	-177.3	0	0	0	0	0	111.1	G501	G495-G501 VanDerWaalsContact CA-O 3.25Å; G495-G501 WeakPolarHBondContact CA-O 3.45Å
496	M	94.6	Very high	95.7	Very high	37 Å²	37	11.6 Å²	11.6	18%	0.182	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	174.8	-174.4	63.9	-162.5	-67.4	0	0	111.1	E498 S499 T500 G501 F540 L566	M496-E498 VanDerWaalsContact C-N 3.28Å; M496-E498 HydrophobicContact CE-CB 3.94Å; M496-E498 HydrophobicContact CE-CG 4.05Å; M496-E498 VanDerWaalsContact CE-OE2 3.23Å; M496-E498 WeakPolarHBondContact CE-OE2 3.14Å; M496-E498 HydrophobicContact CG-CB 4Å; M496-E498 PolarHBondContact O-N 2.97Å; M496-E498 HydrophobicContact SD-CB 4.3Å; M496-S499 PolarHBondContact N-OG 3.04Å; M496-S499 CarbonylContact O-C 3.59Å; M496-S499 PolarHBondContact O-N 2.77Å; M496-S499 VanDerWaalsContact O-N 3.16Å; M496-S499 PolarHBondContact O-OG 3Å; M496-S499 VanDerWaalsContact O-OG 3.05Å; M496-T500 PolarHBondContact O-N 2.62Å; M496-G501 PolarHBondContact N-O 3.06Å; M496-G501 PolarHBondContact O-N 2.89Å; M496-F540 HydrophobicContact CG-CE2 4.03Å; M496-F540 HydrophobicContact SD-CD2 4.29Å; M496-F540 HydrophobicContact SD-CE2 3.75Å; M496-L566 HydrophobicContact SD-CD2 4.2Å
497	S	95.1	Very high	95.6	Very high	8 Å²	8	12 Å²	12	6%	0.056	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-62.5	-40.5	176.6	-62.1	0	0	0	0	111.6	T298 V308 S499 T500	T298-S497 VanDerWaalsContact CG2-CB 3.42Å; T298-S497 WeakPolarHBondContact CG2-OG 3.31Å; V308-S497 WeakPolarHBondContact CG1-O 3.28Å; S497-S499 PolarHBondContact O-N 3.03Å; S497-S499 VanDerWaalsContact O-N 3.15Å; S497-T500 PolarHBondContact O-N 3.07Å
498	E	97.6	Very high	95.4	Very high	15 Å²	15	13.4 Å²	13.4	7%	0.07	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-65.2	-13	177.3	-61.6	83.2	166.4	0	0	113	V308 M496 F546 Y549 L566	V308-E498 HydrophobicContact CG1-CG 4.46Å; V308-E498 HydrophobicContact CG2-CG 4.1Å; M496-E498 VanDerWaalsContact C-N 3.28Å; M496-E498 HydrophobicContact CE-CB 3.94Å; M496-E498 HydrophobicContact CE-CG 4.05Å; M496-E498 VanDerWaalsContact CE-OE2 3.23Å; M496-E498 WeakPolarHBondContact CE-OE2 3.14Å; M496-E498 HydrophobicContact CG-CB 4Å; M496-E498 PolarHBondContact O-N 2.97Å; M496-E498 HydrophobicContact SD-CB 4.3Å; E498-F546 HydrophobicContact CB-CD1 4.04Å; E498-F546 HydrophobicContact CB-CD2 4.07Å; E498-F546 HydrophobicContact CB-CE1 4.13Å; E498-F546 HydrophobicContact CB-CE2 4.14Å; E498-F546 HydrophobicContact CB-CG 4.01Å; E498-F546 HydrophobicContact CB-CZ 4.18Å; E498-F546 HydrophobicContact CG-CD2 3.92Å; E498-F546 HydrophobicContact CG-CE1 4.38Å; E498-F546 HydrophobicContact CG-CE2 3.65Å; E498-F546 HydrophobicContact CG-CG 4.37Å; E498-F546 HydrophobicContact CG-CZ 3.92Å; E498-F546 WeakPolarHBondContact O-CB 3.38Å; E498-F546 WeakPolarHBondContact O-CD1 3.38Å; E498-F546 PolarHBondContact O-N 3.24Å; E498-Y549 HydrophobicContact CG-CE1 3.9Å; E498-Y549 WeakPolarHBondContact CG-OH 3.44Å; E498-Y549 WeakPolarHBondContact OE1-CE1 3.25Å; E498-Y549 PolarHBondContact OE1-OH 2.58Å; E498-L566 HydrophobicContact CB-CD1 4.1Å; E498-L566 HydrophobicContact CB-CD2 3.7Å; E498-L566 VanDerWaalsContact O-CD2 3.29Å; E498-L566 WeakPolarHBondContact O-CD2 3.26Å
499	S	97	Very high	95	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-111.4	20.4	172.4	73.4	0	0	0	0	112.4	M496 S497 G501 H544	M496-S499 PolarHBondContact N-OG 3.04Å; M496-S499 CarbonylContact O-C 3.59Å; M496-S499 PolarHBondContact O-N 2.77Å; M496-S499 VanDerWaalsContact O-N 3.16Å; M496-S499 PolarHBondContact O-OG 3Å; M496-S499 VanDerWaalsContact O-OG 3.05Å; S497-S499 PolarHBondContact O-N 3.03Å; S497-S499 VanDerWaalsContact O-N 3.15Å; S499-G501 PolarHBondContact O-N 3.01Å; S499-G501 VanDerWaalsContact O-N 3.08Å; S499-G501 PolarHBondContact OG-O 3.35Å; S499-H544 CarbonylContact C-O 3.54Å; S499-H544 WeakPolarHBondContact CA-O 3.49Å; S499-H544 WeakPolarHBondContact O-CB 3.35Å; S499-H544 PolarHBondContact O-CD2 3.04Å
500	T	97.8	Very high	94.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	29.7	177.9	-46.5	0	0	0	0	114.1	L310 N314 I315 I347 M351 M496 S497 H544	L310-T500 HydrophobicContact CD1-CG2 4.23Å; L310-T500 WeakPolarHBondContact CD2-OG1 3.47Å; N314-T500 HydrophobicContact CB-CG2 4.05Å; N314-T500 WeakPolarHBondContact CB-OG1 3.36Å; N314-T500 WeakPolarHBondContact O-CG2 3.47Å; I315-T500 HydrophobicContact CD1-CG2 3.82Å; I347-T500 HydrophobicContact CD1-CG2 4.34Å; I347-T500 HydrophobicContact CG1-CG2 4.4Å; M351-T500 HydrophobicContact CE-CG2 3.92Å; M496-T500 PolarHBondContact O-N 2.62Å; S497-T500 PolarHBondContact O-N 3.07Å; T500-H544 WeakPolarHBondContact CB-O 3.27Å; T500-H544 PolarHBondContact N-O 2.88Å; T500-H544 PolarHBondContact OG1-O 2.86Å
501	G	95.1	Very high	94.6	Very high	6 Å²	6	20.5 Å²	20.5	6%	0.062	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.9	-133.2	-173.8	0	0	0	0	0	111.6	G495 M496 S499	G495-G501 VanDerWaalsContact CA-O 3.25Å; G495-G501 WeakPolarHBondContact CA-O 3.45Å; M496-G501 PolarHBondContact N-O 3.06Å; M496-G501 PolarHBondContact O-N 2.89Å; S499-G501 PolarHBondContact O-N 3.01Å; S499-G501 VanDerWaalsContact O-N 3.08Å; S499-G501 PolarHBondContact OG-O 3.35Å
502	P	95.9	Very high	94.4	Very high	10 Å²	10	22.9 Å²	22.9	7%	0.065	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.7	-164.5	32.7	-37.4	0	0	0	112.8	T318 T322 L493 I505 I520	T318-P502 HydrophobicContact CG2-CG 4.3Å; T322-P502 HydrophobicContact CG2-CG 4.26Å; T322-P502 WeakPolarHBondContact OG1-CG 3.16Å; L493-P502 HydrophobicContact CD1-CB 4.46Å; P502-I505 HydrophobicContact CB-CD1 3.83Å; P502-I505 HydrophobicContact CB-CG1 3.87Å; P502-I505 HydrophobicContact CG-CD1 4.12Å; P502-I520 HydrophobicContact CB-CD1 3.97Å; P502-I520 HydrophobicContact CG-CD1 4.04Å; P502-I520 WeakPolarHBondContact O-CD1 3.47Å
503	H	97.3	Very high	94.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-42.6	170.9	-179.7	65.6	0	0	0	111.2	Y494 I520 C523 K524 T525 F540 H544	Y494-H503 PolarHBondContact O-N 3.3Å; H503-I520 WeakPolarHBondContact O-CG1 3.29Å; H503-I520 PolarHBondContact O-N 3.13Å; H503-C523 VanDerWaalsContact CE1-CB 3.49Å; H503-C523 WeakPolarHBondContact CE1-CB 3.43Å; H503-C523 WeakPolarHBondContact ND1-CB 3.36Å; H503-K524 PolarHBondContact CE1-O 2.87Å; H503-K524 VanDerWaalsContact CE1-O 3.29Å; H503-T525 PolarHBondContact NE2-OG1 3.36Å; H503-T525 VanDerWaalsContact NE2-OG1 3.11Å; H503-F540 HydrophobicContact CB-CD1 4.44Å; H503-F540 HydrophobicContact CB-CE1 4.27Å; H503-F540 HydrophobicContact CB-CE2 4.42Å; H503-F540 HydrophobicContact CB-CZ 4.27Å; H503-F540 AromaticContact CD2-CD1 3.19Å; H503-F540 WeakPolarHBondContact CD2-CD1 3.31Å; H503-F540 AromaticContact CD2-CE1 3.32Å; H503-F540 WeakPolarHBondContact CD2-CE1 3.27Å; H503-F540 AromaticContact CD2-CG 3.94Å; H503-F540 AromaticContact CE1-CD1 3.78Å; H503-F540 AromaticContact CG-CD1 3.69Å; H503-F540 AromaticContact CG-CE1 3.88Å; H503-F540 AromaticContact CG-CG 3.98Å; H503-F540 AromaticContact NE2-CD1 3.27Å; H503-F540 VanDerWaalsContact NE2-CD1 3.27Å; H503-F540 WeakPolarHBondContact NE2-CD1 3.34Å; H503-F540 AromaticContact NE2-CE1 3.87Å; H503-F540 AromaticContact NE2-CG 3.97Å; H503-H544 AromaticContact CE1-CE1 3.97Å; H503-H544 AromaticContact CE1-NE2 3.78Å; H503-H544 AromaticContact CG-NE2 3.71Å; H503-H544 AromaticContact ND1-CD2 3.93Å; H503-H544 AromaticContact ND1-CE1 3.4Å; H503-H544 PolarHBondContact ND1-CE1 3.14Å; H503-H544 AromaticContact ND1-NE2 2.87Å; H503-H544 PolarHBondContact ND1-NE2 3.18Å
504	T	97.4	Very high	93.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.5	172.1	72.1	0	0	0	0	110.7	L493 Y494 C516 K518 E519 L580	L493-T504 WeakPolarHBondContact CA-O 3.2Å; L493-T504 WeakPolarHBondContact CB-O 3.25Å; Y494-T504 PolarHBondContact N-O 3.07Å; Y494-T504 PolarHBondContact O-N 2.98Å; Y494-T504 VanDerWaalsContact O-N 3.14Å; T504-C516 CarbonylContact C-O 3.56Å; T504-C516 WeakPolarHBondContact CB-O 3.45Å; T504-C516 PolarHBondContact OG1-O 2.93Å; T504-K518 CarbonylContact C-O 3.49Å; T504-K518 WeakPolarHBondContact CA-O 3.34Å; T504-K518 VanDerWaalsContact CB-O 3.29Å; T504-K518 WeakPolarHBondContact CB-O 3.47Å; T504-E519 HydrophobicContact CG2-CG 4.22Å; T504-L580 HydrophobicContact CG2-CB 4.4Å; T504-L580 HydrophobicContact CG2-CD2 3.63Å
505	I	96.6	Very high	93.7	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	138.4	179.6	-55.5	176.7	0	0	0	109.8	T322 V326 F469 L493 P502 C516 G517 K518 I520	T322-I505 HydrophobicContact CG2-CD1 3.63Å; V326-I505 HydrophobicContact CG1-CB 4.46Å; V326-I505 HydrophobicContact CG1-CD1 3.96Å; V326-I505 HydrophobicContact CG1-CG2 3.7Å; F469-I505 HydrophobicContact CD1-CG2 4.34Å; F469-I505 HydrophobicContact CE1-CG2 3.83Å; L493-I505 HydrophobicContact CB-CB 4.38Å; L493-I505 HydrophobicContact CB-CG1 3.98Å; L493-I505 HydrophobicContact CB-CG2 4.34Å; P502-I505 HydrophobicContact CB-CD1 3.83Å; P502-I505 HydrophobicContact CB-CG1 3.87Å; P502-I505 HydrophobicContact CG-CD1 4.12Å; I505-C516 PolarHBondContact N-O 2.86Å; I505-G517 WeakPolarHBondContact O-CA 3.47Å; I505-K518 PolarHBondContact N-O 3.39Å; I505-K518 PolarHBondContact O-N 3.26Å; I505-K518 VanDerWaalsContact O-N 3.1Å; I505-I520 HydrophobicContact CD1-CD1 3.62Å; I505-I520 HydrophobicContact CD1-CG1 4.01Å; I505-I520 HydrophobicContact CG1-CD1 3.94Å; I505-I520 HydrophobicContact CG1-CG1 4.08Å
506	S	95.1	Very high	93.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.			trans	-78	135.7	166.1	-65.6	0	0	0	0	110.4	Y491 E492 S515 G517	Y491-S506 WeakPolarHBondContact CB-O 3.32Å; E492-S506 WeakPolarHBondContact O-CB 3.49Å; E492-S506 PolarHBondContact O-N 3.48Å; E492-S506 PolarHBondContact O-OG 3.07Å; E492-S506 VanDerWaalsContact O-OG 3.13Å; S506-S515 PolarHBondContact OG-O 2.75Å; S506-G517 VanDerWaalsContact OG-CA 3.31Å; S506-G517 WeakPolarHBondContact OG-CA 3.4Å; S506-G517 PolarHBondContact OG-N 3.12Å
507	T	92.9	Very high	93.7	Very high	14 Å²	14	21 Å²	21	9%	0.086	12%	0.115	C	C	.	.			trans	-120.3	163.4	177	68.6	0	0	0	0	110.3	E509 A510 F511	T507-E509 PolarHBondContact O-N 3.24Å; T507-E509 VanDerWaalsContact O-N 3.13Å; T507-A510 PolarHBondContact N-O 3.38Å; T507-A510 CarbonylContact O-C 3.55Å; T507-A510 PolarHBondContact O-N 3.24Å; T507-A510 VanDerWaalsContact O-N 3.07Å; T507-A510 VanDerWaalsContact O-O 3.12Å; T507-A510 WeakPolarHBondContact OG1-CB 3.15Å; T507-A510 PolarHBondContact OG1-N 3.21Å; T507-F511 WeakPolarHBondContact O-CB 3.12Å; T507-F511 PolarHBondContact O-N 3.13Å
508	P	89.1	Confident	93.8	Very high	63 Å²	63	24.1 Å²	24.1	41%	0.409	13%	0.127	S	C	.	.	S	Bend	trans	-53.5	-31	174.3	-22.8	31.5	0	0	0	113.8	Y491	Y491-P508 HydrophobicContact CE1-CG 4.41Å; Y491-P508 HydrophobicContact CE2-CG 4.29Å; Y491-P508 WeakPolarHBondContact OH-CG 3.35Å
509	E	87.1	Confident	93.6	Very high	124 Å²	124	26.6 Å²	26.6	58%	0.579	14%	0.139	S	C	*	.	S	Bend	trans	-86.2	-25.4	179.7	-62.3	65.6	-140.6	0	0	112.5	T507	T507-E509 PolarHBondContact O-N 3.24Å; T507-E509 VanDerWaalsContact O-N 3.13Å
510	A	89.8	Confident	93.5	Very high	15 Å²	15	26.8 Å²	26.8	12%	0.124	14%	0.14	C	C	.	.	S	Bend	trans	-129	77.7	177.4	0	0	0	0	0	109.9	T507 K518 F579	T507-A510 PolarHBondContact N-O 3.38Å; T507-A510 CarbonylContact O-C 3.55Å; T507-A510 PolarHBondContact O-N 3.24Å; T507-A510 VanDerWaalsContact O-N 3.07Å; T507-A510 VanDerWaalsContact O-O 3.12Å; T507-A510 WeakPolarHBondContact OG1-CB 3.15Å; T507-A510 PolarHBondContact OG1-N 3.21Å; A510-K518 HydrophobicContact CB-CD 4.03Å; A510-K518 HydrophobicContact CB-CG 4.22Å; A510-F579 VanDerWaalsContact C-CE1 3.5Å; A510-F579 HydrophobicContact CB-CE1 4.04Å; A510-F579 HydrophobicContact CB-CZ 4.1Å; A510-F579 WeakPolarHBondContact O-CE1 3.32Å
511	F	91.7	Very high	93.1	Very high	29 Å²	29	31 Å²	31	13%	0.127	17%	0.169	C	C	.	.			trans	-124	129.6	-179.7	178.8	-124.6	0	0	0	111.3	M432 L484 P489 L490 Y491 T507 L513	M432-F511 HydrophobicContact CE-CD1 3.54Å; M432-F511 HydrophobicContact CE-CE1 3.17Å; M432-F511 HydrophobicContact CE-CZ 3.97Å; M432-F511 VanDerWaalsContact CG-O 3.32Å; M432-F511 WeakPolarHBondContact CG-O 3.47Å; L484-F511 HydrophobicContact CD1-CE1 3.84Å; L484-F511 HydrophobicContact CD1-CZ 4.37Å; P489-F511 HydrophobicContact CB-CE1 4.06Å; P489-F511 HydrophobicContact CB-CZ 4.17Å; L490-F511 VanDerWaalsContact O-CE2 3.3Å; L490-F511 WeakPolarHBondContact O-CE2 3.46Å; Y491-F511 HydrophobicContact CD1-CB 4.42Å; Y491-F511 AromaticContact CD1-CD2 3.71Å; Y491-F511 HydrophobicContact CD1-CD2 3.71Å; Y491-F511 HydrophobicContact CD1-CE2 4.23Å; Y491-F511 HydrophobicContact CD1-CG 4.18Å; Y491-F511 HydrophobicContact CE1-CB 4.16Å; Y491-F511 HydrophobicContact CE1-CD2 4.01Å; Y491-F511 HydrophobicContact CE1-CG 4.03Å; T507-F511 WeakPolarHBondContact O-CB 3.12Å; T507-F511 PolarHBondContact O-N 3.13Å; F511-L513 HydrophobicContact CZ-CD2 4.04Å
512	K	92.2	Very high	92.8	Very high	66 Å²	66	32.6 Å²	32.6	29%	0.287	19%	0.186	S	C	.	.			trans	-143.5	135.5	172.3	-171.2	166.2	-179.8	-167	0	108.7	T514 S515 D575 F579 F581	K512-T514 PolarHBondContact O-N 2.71Å; K512-S515 WeakPolarHBondContact O-CB 3.36Å; K512-S515 PolarHBondContact O-N 3.24Å; K512-D575 IonicContact NZ-OD2 2.77Å; K512-D575 PolarHBondContact NZ-OD2 3.01Å; K512-F579 HydrophobicContact CB-CD1 4.16Å; K512-F579 HydrophobicContact CB-CD2 4.3Å; K512-F579 HydrophobicContact CB-CE1 4.09Å; K512-F579 HydrophobicContact CB-CE2 4.26Å; K512-F579 HydrophobicContact CB-CG 4.25Å; K512-F579 HydrophobicContact CB-CZ 4.15Å; K512-F579 HydrophobicContact CD-CD2 4.02Å; K512-F579 HydrophobicContact CD-CE2 4.41Å; K512-F579 HydrophobicContact CD-CG 4.36Å; K512-F581 HydrophobicContact CD-CE2 4.5Å; K512-F581 HydrophobicContact CD-CZ 3.8Å; K512-F581 HydrophobicContact CG-CZ 4.2Å
513	L	90.4	Very high	92.7	Very high	18 Å²	18	32.5 Å²	32.5	9%	0.094	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	140.4	177.9	-75.6	-178.1	0	0	0	110.4	L429 M432 L480 E481 L484 F511 S515	L429-L513 HydrophobicContact CD2-CD1 3.67Å; M432-L513 HydrophobicContact CE-CD1 4.45Å; M432-L513 HydrophobicContact CE-CD2 4.22Å; M432-L513 HydrophobicContact CE-CG 3.72Å; M432-L513 HydrophobicContact SD-CB 4.25Å; M432-L513 HydrophobicContact SD-CG 3.89Å; M432-L513 PolarHBondContact SD-N 2.85Å; L480-L513 HydrophobicContact CB-CD2 3.74Å; L480-L513 HydrophobicContact CD1-CD2 4.22Å; E481-L513 HydrophobicContact CG-CD1 3.86Å; L484-L513 HydrophobicContact CD2-CD1 4.3Å; L484-L513 HydrophobicContact CD2-CD2 4.19Å; L484-L513 HydrophobicContact CD2-CG 4.45Å; F511-L513 HydrophobicContact CZ-CD2 4.04Å; L513-S515 PolarHBondContact O-N 3.5Å
514	T	87.5	Confident	92.6	Very high	63 Å²	63	36.1 Å²	36.1	39%	0.387	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	6.1	178.9	76.4	0	0	0	0	114.7	K477 L480 E492 K512 F581	K477-T514 HydrophobicContact CB-CG2 4.34Å; K477-T514 HydrophobicContact CG-CG2 4.41Å; L480-T514 HydrophobicContact CD1-CG2 4.13Å; E492-T514 WeakPolarHBondContact OE1-CA 3.26Å; E492-T514 PolarHBondContact OE1-N 2.81Å; K512-T514 PolarHBondContact O-N 2.71Å; T514-F581 VanDerWaalsContact O-CD1 3.27Å; T514-F581 WeakPolarHBondContact O-CD1 3.26Å
515	S	93.5	Very high	92.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.			trans	-91.5	142.8	172.3	174.2	0	0	0	0	109.5	E492 S506 K512 L513 G517 F579 L580	E492-S515 WeakPolarHBondContact CB-O 3.47Å; S506-S515 PolarHBondContact OG-O 2.75Å; K512-S515 WeakPolarHBondContact O-CB 3.36Å; K512-S515 PolarHBondContact O-N 3.24Å; L513-S515 PolarHBondContact O-N 3.5Å; S515-G517 PolarHBondContact O-N 2.95Å; S515-G517 PolarHBondContact OG-N 2.94Å; S515-F579 WeakPolarHBondContact OG-CB 3.23Å; S515-F579 VanDerWaalsContact OG-CD1 3.31Å; S515-F579 WeakPolarHBondContact OG-CD1 3.23Å; S515-L580 WeakPolarHBondContact CA-O 3.45Å; S515-L580 PolarHBondContact OG-O 3.47Å
516	C	93.8	Very high	92.6	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.054	22%	0.223	C	C	.	.			trans	-81.3	14.8	171.4	-57.8	0	0	0	0	113.4	T504 I505 L580 I582	T504-C516 CarbonylContact C-O 3.56Å; T504-C516 WeakPolarHBondContact CB-O 3.45Å; T504-C516 PolarHBondContact OG1-O 2.93Å; I505-C516 PolarHBondContact N-O 2.86Å; C516-L580 PolarHBondContact N-O 3.4Å; C516-I582 WeakPolarHBondContact SG-CD1 3.32Å
517	G	95.1	Very high	92.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.			trans	80.4	-151.3	179.7	0	0	0	0	0	113.3	I505 S506 S515 L580	I505-G517 WeakPolarHBondContact O-CA 3.47Å; S506-G517 VanDerWaalsContact OG-CA 3.31Å; S506-G517 WeakPolarHBondContact OG-CA 3.4Å; S506-G517 PolarHBondContact OG-N 3.12Å; S515-G517 PolarHBondContact O-N 2.95Å; S515-G517 PolarHBondContact OG-N 2.94Å; G517-L580 PolarHBondContact O-N 2.94Å
518	K	96.1	Very high	92.8	Very high	73 Å²	73	46.2 Å²	46.2	32%	0.317	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	160.6	-178.5	-62.1	-166.8	176.6	-167.7	0	110.8	T504 I505 A510 N577 F579	T504-K518 CarbonylContact C-O 3.49Å; T504-K518 WeakPolarHBondContact CA-O 3.34Å; T504-K518 VanDerWaalsContact CB-O 3.29Å; T504-K518 WeakPolarHBondContact CB-O 3.47Å; I505-K518 PolarHBondContact N-O 3.39Å; I505-K518 PolarHBondContact O-N 3.26Å; I505-K518 VanDerWaalsContact O-N 3.1Å; A510-K518 HydrophobicContact CB-CD 4.03Å; A510-K518 HydrophobicContact CB-CG 4.22Å; K518-N577 WeakPolarHBondContact CE-O 3.29Å; K518-N577 PolarHBondContact NZ-O 3.04Å; K518-F579 HydrophobicContact CG-CD1 4.09Å; K518-F579 HydrophobicContact CG-CE1 4.2Å
519	E	95.3	Very high	93	Very high	68 Å²	68	47.7 Å²	47.7	32%	0.318	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	136	176.3	-59.9	170.6	166.3	0	0	111.5	H325 T504 T525 H574	H325-E519 PolarHBondContact CE1-O 2.89Å; H325-E519 VanDerWaalsContact CE1-O 3.27Å; T504-E519 HydrophobicContact CG2-CG 4.22Å; E519-T525 WeakPolarHBondContact CG-OG1 3.2Å; E519-T525 WeakPolarHBondContact OE1-CA 3.5Å; E519-T525 WeakPolarHBondContact OE1-CB 3.48Å; E519-T525 PolarHBondContact OE1-N 3.25Å; E519-T525 PolarHBondContact OE1-OG1 2.8Å; E519-H574 IonicContact OE1-NE2 3.78Å
520	I	94.4	Very high	93.3	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.015	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-64.9	143.9	169.6	-63.6	170.7	0	0	0	108.8	A321 H325 P502 H503 I505 G522 C523	A321-I520 HydrophobicContact CB-CG2 3.79Å; H325-I520 HydrophobicContact CB-CG1 4.45Å; H325-I520 HydrophobicContact CB-CG2 4.1Å; P502-I520 HydrophobicContact CB-CD1 3.97Å; P502-I520 HydrophobicContact CG-CD1 4.04Å; P502-I520 WeakPolarHBondContact O-CD1 3.47Å; H503-I520 WeakPolarHBondContact O-CG1 3.29Å; H503-I520 PolarHBondContact O-N 3.13Å; I505-I520 HydrophobicContact CD1-CD1 3.62Å; I505-I520 HydrophobicContact CD1-CG1 4.01Å; I505-I520 HydrophobicContact CG1-CD1 3.94Å; I505-I520 HydrophobicContact CG1-CG1 4.08Å; I520-G522 PolarHBondContact O-N 3.05Å; I520-C523 WeakPolarHBondContact O-CB 3.22Å; I520-C523 PolarHBondContact O-N 3.5Å
521	S	88.7	Confident	93.2	Very high	88 Å²	88	48.4 Å²	48.4	62%	0.615	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	127.5	177.8	-170.7	0	0	0	0	111.3	W317 C523	W317-S521 WeakPolarHBondContact CZ2-O 3.35Å; S521-C523 VanDerWaalsContact C-N 3.35Å
522	G	88.9	Confident	92.9	Very high	40 Å²	40	55.6 Å²	55.6	41%	0.412	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-6.4	-175.1	0	0	0	0	0	115.2	I520	I520-G522 PolarHBondContact O-N 3.05Å
523	C	94.3	Very high	92.5	Very high	8 Å²	8	59.2 Å²	59.2	5%	0.054	33%	0.326	C	S	.	.			trans	-85.3	153.8	162.4	-69	0	0	0	0	110.4	H503 I520 S521 W541 H544	H503-C523 VanDerWaalsContact CE1-CB 3.49Å; H503-C523 WeakPolarHBondContact CE1-CB 3.43Å; H503-C523 WeakPolarHBondContact ND1-CB 3.36Å; I520-C523 WeakPolarHBondContact O-CB 3.22Å; I520-C523 PolarHBondContact O-N 3.5Å; S521-C523 VanDerWaalsContact C-N 3.35Å; C523-W541 CarbonylContact C-O 3.56Å; C523-W541 WeakPolarHBondContact CA-O 3.48Å; C523-H544 PolarHBondContact SG-CE1 3.1Å
524	K	95.3	Very high	92.3	Very high	77 Å²	77	59.8 Å²	59.8	34%	0.335	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.6	169.3	-58.1	179.3	176.7	177.3	0	110.2	E110 H503 W541 W565	E110-K524 WeakPolarHBondContact OE1-CE 2.99Å; E110-K524 IonicContact OE1-NZ 3.09Å; E110-K524 PolarHBondContact OE1-NZ 3.3Å; E110-K524 WeakPolarHBondContact OE2-CE 3.48Å; E110-K524 IonicContact OE2-NZ 3.94Å; E110-K524 PolarHBondContact OE2-NZ 3.49Å; H503-K524 PolarHBondContact CE1-O 2.87Å; H503-K524 VanDerWaalsContact CE1-O 3.29Å; K524-W541 HydrophobicContact CB-CB 4.28Å; K524-W541 HydrophobicContact CD-CE3 3.93Å; K524-W541 HydrophobicContact CD-CZ3 4.4Å; K524-W541 HydrophobicContact CG-CE3 4.16Å; K524-W541 PolarHBondContact N-O 2.86Å; K524-W541 PolarHBondContact O-N 3.18Å; K524-W565 HydrophobicContact CB-CH2 3.79Å; K524-W565 HydrophobicContact CB-CZ3 4.23Å; K524-W565 WeakPolarHBondContact O-CZ3 3.47Å
525	T	96.7	Very high	92.4	Very high	23 Å²	23	57.8 Å²	57.8	14%	0.141	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.3	170.5	-47.6	0	0	0	0	110.9	H503 E519 I538 C539	H503-T525 PolarHBondContact NE2-OG1 3.36Å; H503-T525 VanDerWaalsContact NE2-OG1 3.11Å; E519-T525 WeakPolarHBondContact CG-OG1 3.2Å; E519-T525 WeakPolarHBondContact OE1-CA 3.5Å; E519-T525 WeakPolarHBondContact OE1-CB 3.48Å; E519-T525 PolarHBondContact OE1-N 3.25Å; E519-T525 PolarHBondContact OE1-OG1 2.8Å; T525-I538 HydrophobicContact CG2-CG2 3.5Å; T525-C539 WeakPolarHBondContact CA-O 3.4Å
526	R	96.3	Very high	92.4	Very high	85 Å²	85	57.8 Å²	57.8	32%	0.321	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.8	166.1	177.3	-170.1	-63	-166.4	-12.5	107.6	C539 D561 D563 W565	R526-C539 HydrophobicContact CB-CB 4.24Å; R526-C539 PolarHBondContact N-O 3.04Å; R526-C539 WeakPolarHBondContact O-CB 3.41Å; R526-C539 PolarHBondContact O-N 3.31Å; R526-D561 IonicContact NH1-OD2 3.21Å; R526-D563 IonicContact CZ-OD2 2.57Å; R526-D563 IonicContact NH1-OD2 3.36Å; R526-D563 PolarHBondContact NH1-OD2 3.13Å; R526-D563 VanDerWaalsContact NH1-OD2 3.09Å; R526-D563 IonicContact NH2-OD2 2.8Å; R526-W565 HydrophobicContact CB-CD2 4.14Å; R526-W565 HydrophobicContact CB-CE3 3.57Å; R526-W565 HydrophobicContact CB-CH2 3.76Å; R526-W565 HydrophobicContact CB-CZ2 4.31Å; R526-W565 HydrophobicContact CB-CZ3 3.38Å; R526-W565 VanDerWaalsContact CZ-CD1 3.46Å; R526-W565 VanDerWaalsContact N-CZ3 3.35Å; R526-W565 VanDerWaalsContact NE-CE2 3.32Å; R526-W565 VanDerWaalsContact NH2-CE2 3.27Å
527	L	97.1	Very high	92.6	Very high	42 Å²	42	58.8 Å²	58.8	22%	0.22	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	106.7	167.8	-61.1	178	0	0	0	107.6	E537 I538 G572	L527-E537 CarbonylContact C-O 3.55Å; L527-E537 WeakPolarHBondContact CA-O 3.35Å; L527-I538 HydrophobicContact CD2-CG1 4.17Å; L527-G572 WeakPolarHBondContact CD2-O 3.36Å
528	H	95.8	Very high	92.7	Very high	78 Å²	78	58.8 Å²	58.8	36%	0.361	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.3	-179.2	179.6	84.8	0	0	0	110.4	G536 E537 C539	H528-G536 CarbonylContact O-C 3.56Å; H528-G536 WeakPolarHBondContact O-CA 3.46Å; H528-E537 HydrophobicContact CB-CB 4.25Å; H528-E537 PolarHBondContact N-O 3.42Å; H528-E537 PolarHBondContact O-N 2.9Å; H528-C539 VanDerWaalsContact CB-SG 3.59Å
529	S	92.9	Very high	92.8	Very high	93 Å²	93	55.3 Å²	55.3	65%	0.65	31%	0.312	S	S	*	.	S	Bend	trans	48.1	56.9	-179.5	-60.4	0	0	0	0	114.2
530	P	92.4	Very high	92.9	Very high	76 Å²	76	52.1 Å²	52.1	49%	0.494	30%	0.297	S	S	.	.			trans	-66.5	142.9	-178.4	29.7	-34.6	0	0	0	112.1	N535	P530-N535 CarbonylContact C-O 3.54Å; P530-N535 VanDerWaalsContact CA-O 3.25Å; P530-N535 WeakPolarHBondContact CA-O 3.24Å
531	D	87.9	Confident	93	Very high	78 Å²	78	53.7 Å²	53.7	42%	0.417	30%	0.302	S	S	.	.			trans	-76.6	179.2	170.7	68.6	16.7	0	0	0	112.5	E533 G534 N535	D531-E533 PolarHBondContact O-N 2.75Å; D531-E533 VanDerWaalsContact O-N 3.15Å; D531-E533 WeakPolarHBondContact OD1-CA 3.03Å; D531-E533 WeakPolarHBondContact OD1-CB 3.06Å; D531-E533 PolarHBondContact OD1-N 3.16Å; D531-G534 PolarHBondContact O-N 2.96Å; D531-G534 PolarHBondContact OD1-N 3.03Å; D531-N535 PolarHBondContact N-O 3.03Å; D531-N535 PolarHBondContact OD1-N 2.91Å; D531-N535 PolarHBondContact OD1-ND2 3.21Å; D531-N535 WeakPolarHBondContact OD2-CB 3.47Å; D531-N535 PolarHBondContact OD2-ND2 3.46Å
532	D	86.4	Confident	93.3	Very high	180 Å²	180	49.5 Å²	49.5	96%	0.963	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.3	179.3	-66.9	-23.3	0	0	0	113.2
533	E	82.9	Confident	93.6	Very high	143 Å²	143	48.3 Å²	48.3	67%	0.668	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	3	175.9	-62.9	-172.1	-177.3	0	0	113	D531 N535	D531-E533 PolarHBondContact O-N 2.75Å; D531-E533 VanDerWaalsContact O-N 3.15Å; D531-E533 WeakPolarHBondContact OD1-CA 3.03Å; D531-E533 WeakPolarHBondContact OD1-CB 3.06Å; D531-E533 PolarHBondContact OD1-N 3.16Å; E533-N535 VanDerWaalsContact C-N 3.34Å; E533-N535 WeakPolarHBondContact CB-ND2 3.47Å
534	G	87.5	Confident	93.7	Very high	30 Å²	30	48 Å²	48	31%	0.309	25%	0.254	S	S	.	.	S	Bend	trans	78.6	10.7	-179.3	0	0	0	0	0	114.5	D531 K573	D531-G534 PolarHBondContact O-N 2.96Å; D531-G534 PolarHBondContact OD1-N 3.03Å; G534-K573 WeakPolarHBondContact O-CB 3.39Å
535	N	89.9	Confident	93.8	Very high	20 Å²	20	44.3 Å²	44.3	11%	0.107	24%	0.238	C	C	.	.			trans	-80.9	119.7	174	-52.9	-79	0	0	0	109.8	P530 D531 E533 G572 K573 T583	P530-N535 CarbonylContact C-O 3.54Å; P530-N535 VanDerWaalsContact CA-O 3.25Å; P530-N535 WeakPolarHBondContact CA-O 3.24Å; D531-N535 PolarHBondContact N-O 3.03Å; D531-N535 PolarHBondContact OD1-N 2.91Å; D531-N535 PolarHBondContact OD1-ND2 3.21Å; D531-N535 WeakPolarHBondContact OD2-CB 3.47Å; D531-N535 PolarHBondContact OD2-ND2 3.46Å; E533-N535 VanDerWaalsContact C-N 3.34Å; E533-N535 WeakPolarHBondContact CB-ND2 3.47Å; N535-G572 WeakPolarHBondContact CA-O 3.28Å; N535-K573 WeakPolarHBondContact OD1-CD 3.45Å; N535-T583 VanDerWaalsContact OD1-CG2 3.25Å; N535-T583 WeakPolarHBondContact OD1-CG2 3.41Å; N535-T583 PolarHBondContact OD1-OG1 2.91Å
536	G	93.5	Very high	93.9	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	173.4	173	0	0	0	0	0	111.3	H528 I538 L571 G572	H528-G536 CarbonylContact O-C 3.56Å; H528-G536 WeakPolarHBondContact O-CA 3.46Å; G536-I538 PolarHBondContact O-N 2.98Å; G536-L571 WeakPolarHBondContact O-CA 3.33Å; G536-G572 PolarHBondContact N-O 3.39Å; G536-G572 PolarHBondContact O-N 2.78Å
537	E	96.4	Very high	94	Very high	28 Å²	28	39.3 Å²	39.3	13%	0.131	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	127.6	170.4	-180	177.1	-157.1	0	0	109.9	L527 H528 C539 H567 G569 D570 L571 I586	L527-E537 CarbonylContact C-O 3.55Å; L527-E537 WeakPolarHBondContact CA-O 3.35Å; H528-E537 HydrophobicContact CB-CB 4.25Å; H528-E537 PolarHBondContact N-O 3.42Å; H528-E537 PolarHBondContact O-N 2.9Å; E537-C539 PolarHBondContact O-N 3.17Å; E537-H567 VanDerWaalsContact CD-ND1 3.32Å; E537-H567 WeakPolarHBondContact OE1-CB 3.41Å; E537-H567 IonicContact OE1-CG 2.7Å; E537-H567 IonicContact OE1-ND1 2.82Å; E537-H567 IonicContact OE2-CE1 3.94Å; E537-H567 IonicContact OE2-CG 2.71Å; E537-H567 IonicContact OE2-ND1 2.83Å; E537-H567 PolarHBondContact OE2-ND1 2.94Å; E537-G569 VanDerWaalsContact OE1-CA 3.3Å; E537-G569 WeakPolarHBondContact OE1-CA 3.36Å; E537-G569 PolarHBondContact OE1-N 3.38Å; E537-D570 WeakPolarHBondContact CA-O 3.1Å; E537-L571 HydrophobicContact CB-CD2 4.43Å; E537-I586 HydrophobicContact CB-CD1 3.95Å; E537-I586 HydrophobicContact CG-CD1 3.79Å
538	I	98.1	Very high	94	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.9	178.3	-49	168.8	0	0	0	108.1	Y494 T525 L527 G536 F540 S568 D570 L580 I582	Y494-I538 HydrophobicContact CE1-CD1 3.85Å; Y494-I538 HydrophobicContact CE1-CG2 4.2Å; T525-I538 HydrophobicContact CG2-CG2 3.5Å; L527-I538 HydrophobicContact CD2-CG1 4.17Å; G536-I538 PolarHBondContact O-N 2.98Å; I538-F540 HydrophobicContact CG2-CD1 4.11Å; I538-F540 HydrophobicContact CG2-CE1 3.57Å; I538-S568 WeakPolarHBondContact O-CB 3.46Å; I538-S568 PolarHBondContact O-N 3.12Å; I538-S568 PolarHBondContact O-OG 3.04Å; I538-D570 HydrophobicContact CD1-CB 4.46Å; I538-D570 PolarHBondContact N-O 3.05Å; I538-L580 HydrophobicContact CD1-CD1 4.13Å; I538-L580 HydrophobicContact CD1-CD2 4.33Å; I538-L580 HydrophobicContact CD1-CG 4.49Å; I538-L580 HydrophobicContact CG1-CD1 4.38Å; I538-L580 HydrophobicContact CG2-CD1 4.47Å; I538-L580 HydrophobicContact CG2-CD2 4.2Å; I538-I582 HydrophobicContact CD1-CG1 4.22Å
539	C	98.2	Very high	94.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.9	177.2	-60	0	0	0	0	110.2	T525 R526 H528 E537 W565 L566	T525-C539 WeakPolarHBondContact CA-O 3.4Å; R526-C539 HydrophobicContact CB-CB 4.24Å; R526-C539 PolarHBondContact N-O 3.04Å; R526-C539 WeakPolarHBondContact O-CB 3.41Å; R526-C539 PolarHBondContact O-N 3.31Å; H528-C539 VanDerWaalsContact CB-SG 3.59Å; E537-C539 PolarHBondContact O-N 3.17Å; C539-W565 HydrophobicContact CB-CB 4.25Å; C539-W565 HydrophobicContact CB-CE3 4.02Å; C539-L566 CarbonylContact C-O 3.5Å; C539-L566 VanDerWaalsContact CA-O 3.22Å; C539-L566 WeakPolarHBondContact CA-O 3.5Å
540	F	98.1	Very high	94.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.2	-176.9	-53.2	-29.8	0	0	0	112.2	Y494 M496 H503 I538 V545 W565 L566	Y494-F540 HydrophobicContact CD1-CE1 4.26Å; Y494-F540 HydrophobicContact CD1-CZ 4.01Å; Y494-F540 AromaticContact CE1-CE1 3.62Å; Y494-F540 HydrophobicContact CE1-CE1 3.62Å; Y494-F540 AromaticContact CE1-CZ 3.32Å; Y494-F540 HydrophobicContact CE1-CZ 3.32Å; Y494-F540 AromaticContact CZ-CZ 3.68Å; M496-F540 HydrophobicContact CG-CE2 4.03Å; M496-F540 HydrophobicContact SD-CD2 4.29Å; M496-F540 HydrophobicContact SD-CE2 3.75Å; H503-F540 HydrophobicContact CB-CD1 4.44Å; H503-F540 HydrophobicContact CB-CE1 4.27Å; H503-F540 HydrophobicContact CB-CE2 4.42Å; H503-F540 HydrophobicContact CB-CZ 4.27Å; H503-F540 AromaticContact CD2-CD1 3.19Å; H503-F540 WeakPolarHBondContact CD2-CD1 3.31Å; H503-F540 AromaticContact CD2-CE1 3.32Å; H503-F540 WeakPolarHBondContact CD2-CE1 3.27Å; H503-F540 AromaticContact CD2-CG 3.94Å; H503-F540 AromaticContact CE1-CD1 3.78Å; H503-F540 AromaticContact CG-CD1 3.69Å; H503-F540 AromaticContact CG-CE1 3.88Å; H503-F540 AromaticContact CG-CG 3.98Å; H503-F540 AromaticContact NE2-CD1 3.27Å; H503-F540 VanDerWaalsContact NE2-CD1 3.27Å; H503-F540 WeakPolarHBondContact NE2-CD1 3.34Å; H503-F540 AromaticContact NE2-CE1 3.87Å; H503-F540 AromaticContact NE2-CG 3.97Å; I538-F540 HydrophobicContact CG2-CD1 4.11Å; I538-F540 HydrophobicContact CG2-CE1 3.57Å; F540-V545 HydrophobicContact CB-CG2 4.37Å; F540-W565 WeakPolarHBondContact O-CA 3.38Å; F540-L566 HydrophobicContact CB-CB 4.29Å; F540-L566 HydrophobicContact CD2-CD2 3.99Å; F540-L566 HydrophobicContact CD2-CG 4.44Å; F540-L566 PolarHBondContact N-O 3.09Å; F540-L566 PolarHBondContact O-N 3.06Å
541	W	96.4	Very high	94.5	Very high	36 Å²	36	29.6 Å²	29.6	14%	0.136	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139.4	167.3	-171.9	103.8	0	0	0	110.1	R108 E110 C523 K524 W565	R108-W541 HydrophobicContact CB-CH2 3.85Å; R108-W541 HydrophobicContact CB-CZ2 3.82Å; R108-W541 HydrophobicContact CB-CZ3 4.45Å; R108-W541 HydrophobicContact CG-CZ2 4.11Å; E110-W541 HydrophobicContact CG-CH2 3.44Å; E110-W541 VanDerWaalsContact CG-CH2 3.44Å; E110-W541 HydrophobicContact CG-CZ3 3.76Å; E110-W541 WeakPolarHBondContact OE1-CH2 3.47Å; E110-W541 VanDerWaalsContact OE1-CZ3 3.27Å; E110-W541 WeakPolarHBondContact OE1-CZ3 3.37Å; C523-W541 CarbonylContact C-O 3.56Å; C523-W541 WeakPolarHBondContact CA-O 3.48Å; K524-W541 HydrophobicContact CB-CB 4.28Å; K524-W541 HydrophobicContact CD-CE3 3.93Å; K524-W541 HydrophobicContact CD-CZ3 4.4Å; K524-W541 HydrophobicContact CG-CE3 4.16Å; K524-W541 PolarHBondContact N-O 2.86Å; K524-W541 PolarHBondContact O-N 3.18Å; W541-W565 HydrophobicContact CB-CD2 3.76Å; W541-W565 HydrophobicContact CB-CE3 3.52Å; W541-W565 HydrophobicContact CB-CH2 3.64Å; W541-W565 HydrophobicContact CB-CZ2 3.86Å; W541-W565 HydrophobicContact CB-CZ3 3.44Å; W541-W565 VanDerWaalsContact CB-CZ3 3.44Å; W541-W565 AromaticContact CD1-CE2 3.87Å; W541-W565 AromaticContact CD1-NE1 3.85Å; W541-W565 HydrophobicContact CG-CD2 4.35Å; W541-W565 HydrophobicContact CG-CH2 4.37Å; W541-W565 HydrophobicContact CG-CZ2 4.16Å
542	G	94.7	Very high	94.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	151.8	172.4	178.2	0	0	0	0	0	113.2	R108 H544 V545	R108-G542 VanDerWaalsContact CD-O 3.28Å; R108-G542 WeakPolarHBondContact CD-O 3.31Å; G542-H544 PolarHBondContact O-N 2.87Å; G542-H544 VanDerWaalsContact O-N 3.16Å; G542-V545 WeakPolarHBondContact O-CB 3.39Å; G542-V545 PolarHBondContact O-N 3.07Å; G542-V545 VanDerWaalsContact O-N 3.12Å
543	R	94.4	Very high	95.4	Very high	16 Å²	16	22.2 Å²	22.2	6%	0.06	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.9	-178.4	-75.2	172.6	67.3	-175.9	-3.5	114.1	R108 A115 D117 D313 N314 W317 V545	R108-R543 HydrophobicContact CB-CG 4.46Å; R108-R543 WeakPolarHBondContact O-CG 3.46Å; A115-R543 PolarHBondContact O-NH1 3.49Å; D117-R543 PolarHBondContact O-NH2 2.9Å; D117-R543 VanDerWaalsContact O-NH2 3.09Å; D313-R543 IonicContact OD1-CZ 2.59Å; D313-R543 IonicContact OD1-NE 2.92Å; D313-R543 IonicContact OD1-NH2 2.93Å; D313-R543 PolarHBondContact OD1-NH2 2.85Å; D313-R543 IonicContact OD2-CZ 3.97Å; D313-R543 IonicContact OD2-NE 2.61Å; D313-R543 PolarHBondContact OD2-NE 2.69Å; D313-R543 IonicContact OD2-NH2 3.68Å; D313-R543 PolarHBondContact OD2-NH2 2.73Å; N314-R543 PolarHBondContact ND2-O 2.9Å; W317-R543 HydrophobicContact CB-CB 4.32Å; W317-R543 HydrophobicContact CD2-CB 3.54Å; W317-R543 HydrophobicContact CD2-CG 4.47Å; W317-R543 HydrophobicContact CE3-CB 3.79Å; W317-R543 HydrophobicContact CG-CB 3.79Å; W317-R543 HydrophobicContact CZ3-CB 4.38Å; R543-V545 VanDerWaalsContact C-N 3.35Å
544	H	96	Very high	95.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.4	175.6	63.3	-46.4	0	0	0	113.9	W317 T318 S499 T500 H503 C523 G542 F546	W317-H544 HydrophobicContact CE3-CB 3.96Å; W317-H544 HydrophobicContact CZ3-CB 3.69Å; W317-H544 AromaticContact CZ3-CG 3.94Å; W317-H544 AromaticContact CZ3-ND1 3.88Å; T318-H544 VanDerWaalsContact OG1-CB 3.27Å; T318-H544 WeakPolarHBondContact OG1-CB 3.45Å; S499-H544 CarbonylContact C-O 3.54Å; S499-H544 WeakPolarHBondContact CA-O 3.49Å; S499-H544 WeakPolarHBondContact O-CB 3.35Å; S499-H544 PolarHBondContact O-CD2 3.04Å; T500-H544 WeakPolarHBondContact CB-O 3.27Å; T500-H544 PolarHBondContact N-O 2.88Å; T500-H544 PolarHBondContact OG1-O 2.86Å; H503-H544 AromaticContact CE1-CE1 3.97Å; H503-H544 AromaticContact CE1-NE2 3.78Å; H503-H544 AromaticContact CG-NE2 3.71Å; H503-H544 AromaticContact ND1-CD2 3.93Å; H503-H544 AromaticContact ND1-CE1 3.4Å; H503-H544 PolarHBondContact ND1-CE1 3.14Å; H503-H544 AromaticContact ND1-NE2 2.87Å; H503-H544 PolarHBondContact ND1-NE2 3.18Å; C523-H544 PolarHBondContact SG-CE1 3.1Å; G542-H544 PolarHBondContact O-N 2.87Å; G542-H544 VanDerWaalsContact O-N 3.16Å; H544-F546 PolarHBondContact O-N 2.88Å
545	V	98.1	Very high	96.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.117	C	C	.	.	S	Bend	trans	-67.8	126.8	175.9	175.4	0	0	0	0	109.7	N314 F540 G542 R543 I560 L566	N314-V545 PolarHBondContact ND2-O 3.17Å; F540-V545 HydrophobicContact CB-CG2 4.37Å; G542-V545 WeakPolarHBondContact O-CB 3.39Å; G542-V545 PolarHBondContact O-N 3.07Å; G542-V545 VanDerWaalsContact O-N 3.12Å; R543-V545 VanDerWaalsContact C-N 3.35Å; V545-I560 HydrophobicContact CG1-CD1 4.49Å; V545-L566 HydrophobicContact CG1-CB 3.89Å; V545-L566 HydrophobicContact CG1-CD2 4.19Å; V545-L566 HydrophobicContact CG2-CB 4.18Å; V545-L566 HydrophobicContact CG2-CD2 4.4Å
546	F	98.3	Very high	96.4	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	11%	0.112	C	C	.	.			trans	-55.1	165.6	-177.9	77.4	-30.8	0	0	0	114.1	V308 M309 L310 E498 H544 G548 Y549 A559 I560 L566	V308-F546 HydrophobicContact CB-CD2 4.35Å; V308-F546 HydrophobicContact CG1-CB 3.89Å; V308-F546 HydrophobicContact CG1-CD2 3.57Å; V308-F546 HydrophobicContact CG1-CG 4.15Å; M309-F546 WeakPolarHBondContact O-CB 3.19Å; L310-F546 HydrophobicContact CD2-CB 3.89Å; E498-F546 HydrophobicContact CB-CD1 4.04Å; E498-F546 HydrophobicContact CB-CD2 4.07Å; E498-F546 HydrophobicContact CB-CE1 4.13Å; E498-F546 HydrophobicContact CB-CE2 4.14Å; E498-F546 HydrophobicContact CB-CG 4.01Å; E498-F546 HydrophobicContact CB-CZ 4.18Å; E498-F546 HydrophobicContact CG-CD2 3.92Å; E498-F546 HydrophobicContact CG-CE1 4.38Å; E498-F546 HydrophobicContact CG-CE2 3.65Å; E498-F546 HydrophobicContact CG-CG 4.37Å; E498-F546 HydrophobicContact CG-CZ 3.92Å; E498-F546 WeakPolarHBondContact O-CB 3.38Å; E498-F546 WeakPolarHBondContact O-CD1 3.38Å; E498-F546 PolarHBondContact O-N 3.24Å; H544-F546 PolarHBondContact O-N 2.88Å; F546-G548 VanDerWaalsContact C-N 3.32Å; F546-G548 VanDerWaalsContact CD2-C 3.49Å; F546-G548 VanDerWaalsContact CD2-O 3.25Å; F546-G548 WeakPolarHBondContact CD2-O 3.46Å; F546-G548 WeakPolarHBondContact CE2-O 3.48Å; F546-Y549 AromaticContact CE2-CD1 3.79Å; F546-Y549 HydrophobicContact CE2-CD1 3.79Å; F546-Y549 AromaticContact CE2-CD2 3.95Å; F546-Y549 HydrophobicContact CE2-CD2 3.95Å; F546-Y549 AromaticContact CE2-CE1 3.76Å; F546-Y549 HydrophobicContact CE2-CE1 3.76Å; F546-Y549 AromaticContact CE2-CE2 3.93Å; F546-Y549 HydrophobicContact CE2-CE2 3.93Å; F546-Y549 AromaticContact CE2-CG 3.91Å; F546-Y549 HydrophobicContact CE2-CG 3.91Å; F546-Y549 AromaticContact CE2-CZ 3.84Å; F546-Y549 HydrophobicContact CZ-CD2 4.12Å; F546-Y549 HydrophobicContact CZ-CE1 4.47Å; F546-Y549 AromaticContact CZ-CE2 3.9Å; F546-Y549 HydrophobicContact CZ-CE2 3.9Å; F546-A559 HydrophobicContact CZ-CB 4.34Å; F546-I560 HydrophobicContact CD1-CD1 4.07Å; F546-I560 HydrophobicContact CE1-CD1 3.52Å; F546-I560 HydrophobicContact CE1-CG1 3.75Å; F546-I560 HydrophobicContact CZ-CD1 4.37Å; F546-L566 HydrophobicContact CE1-CD1 3.89Å; F546-L566 HydrophobicContact CZ-CD1 4.49Å
547	M	98.3	Very high	96.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.139	C	C	.	.			trans	-73.6	-26.9	176.7	-60	175.1	70.6	0	0	112.3	W97 T98 G103 V105 N290 C292 M309 S311	W97-M547 CarbonylContact C-O 3.59Å; W97-M547 WeakPolarHBondContact CA-O 3.23Å; W97-M547 WeakPolarHBondContact CB-O 3.45Å; T98-M547 HydrophobicContact CG2-CB 4.36Å; T98-M547 HydrophobicContact CG2-CE 3.81Å; T98-M547 PolarHBondContact N-O 3.44Å; T98-M547 CarbonylContact O-C 3.6Å; G103-M547 VanDerWaalsContact O-CE 3.3Å; G103-M547 WeakPolarHBondContact O-CE 3.19Å; V105-M547 HydrophobicContact CG1-CB 3.94Å; V105-M547 HydrophobicContact CG1-CE 3.91Å; V105-M547 HydrophobicContact CG1-CG 4.02Å; V105-M547 HydrophobicContact CG2-CE 4.3Å; V105-M547 HydrophobicContact CG2-CG 3.98Å; N290-M547 WeakPolarHBondContact O-CE 3.45Å; C292-M547 WeakPolarHBondContact CA-SD 3.33Å; C292-M547 HydrophobicContact CB-CE 4.11Å; C292-M547 HydrophobicContact CB-SD 3.6Å; C292-M547 VanDerWaalsContact CB-SD 3.6Å; C292-M547 PolarHBondContact N-SD 3.17Å; C292-M547 VanDerWaalsContact N-SD 3.42Å; M309-M547 HydrophobicContact CB-CB 4.01Å; M309-M547 HydrophobicContact CE-CB 4.26Å; M309-M547 PolarHBondContact O-N 3.18Å; S311-M547 VanDerWaalsContact CB-SD 3.59Å
548	G	98	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.9	-177.4	-174	0	0	0	0	0	111.6	T98 M309 F546	T98-G548 WeakPolarHBondContact O-CA 3.45Å; M309-G548 WeakPolarHBondContact CB-O 3.31Å; M309-G548 PolarHBondContact N-O 3.2Å; F546-G548 VanDerWaalsContact C-N 3.32Å; F546-G548 VanDerWaalsContact CD2-C 3.49Å; F546-G548 VanDerWaalsContact CD2-O 3.25Å; F546-G548 WeakPolarHBondContact CD2-O 3.46Å; F546-G548 WeakPolarHBondContact CE2-O 3.48Å
549	Y	97.8	Very high	96.1	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.047	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.1	173.6	-62.5	-68.4	0	0	0	110.4	T99 K306 G307 V308 E498 F546 D551 M552 K555 T556 A559	T99-Y549 VanDerWaalsContact CB-O 3.27Å; T99-Y549 WeakPolarHBondContact CB-O 3.47Å; T99-Y549 VanDerWaalsContact CG2-O 3.25Å; T99-Y549 WeakPolarHBondContact CG2-O 3.23Å; K306-Y549 HydrophobicContact CB-CD1 3.51Å; K306-Y549 HydrophobicContact CB-CE1 3.76Å; K306-Y549 HydrophobicContact CB-CG 4.26Å; K306-Y549 HydrophobicContact CD-CD1 3.81Å; K306-Y549 HydrophobicContact CD-CD2 4.24Å; K306-Y549 HydrophobicContact CD-CE1 3.57Å; K306-Y549 HydrophobicContact CD-CE2 4.03Å; K306-Y549 HydrophobicContact CD-CG 4.11Å; K306-Y549 HydrophobicContact CG-CD1 4.32Å; K306-Y549 HydrophobicContact CG-CE1 4.37Å; G307-Y549 CarbonylContact O-C 3.58Å; G307-Y549 WeakPolarHBondContact O-CA 3.33Å; V308-Y549 HydrophobicContact CG2-CD1 4.13Å; V308-Y549 HydrophobicContact CG2-CE1 3.81Å; E498-Y549 HydrophobicContact CG-CE1 3.9Å; E498-Y549 WeakPolarHBondContact CG-OH 3.44Å; E498-Y549 WeakPolarHBondContact OE1-CE1 3.25Å; E498-Y549 PolarHBondContact OE1-OH 2.58Å; F546-Y549 AromaticContact CE2-CD1 3.79Å; F546-Y549 HydrophobicContact CE2-CD1 3.79Å; F546-Y549 AromaticContact CE2-CD2 3.95Å; F546-Y549 HydrophobicContact CE2-CD2 3.95Å; F546-Y549 AromaticContact CE2-CE1 3.76Å; F546-Y549 HydrophobicContact CE2-CE1 3.76Å; F546-Y549 AromaticContact CE2-CE2 3.93Å; F546-Y549 HydrophobicContact CE2-CE2 3.93Å; F546-Y549 AromaticContact CE2-CG 3.91Å; F546-Y549 HydrophobicContact CE2-CG 3.91Å; F546-Y549 AromaticContact CE2-CZ 3.84Å; F546-Y549 HydrophobicContact CZ-CD2 4.12Å; F546-Y549 HydrophobicContact CZ-CE1 4.47Å; F546-Y549 AromaticContact CZ-CE2 3.9Å; F546-Y549 HydrophobicContact CZ-CE2 3.9Å; Y549-D551 PolarHBondContact O-N 3.49Å; Y549-M552 PolarHBondContact O-N 3.31Å; Y549-K555 HydrophobicContact CD2-CB 3.9Å; Y549-K555 WeakPolarHBondContact CD2-O 3.25Å; Y549-K555 HydrophobicContact CE2-CB 4.37Å; Y549-K555 WeakPolarHBondContact CE2-O 3.39Å; Y549-T556 PolarHBondContact N-OG1 2.78Å; Y549-A559 HydrophobicContact CE2-CB 3.95Å
550	L	97.9	Very high	96	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	124.1	-179.9	177.9	62.6	0	0	0	111	R101 N218 L295 G307 M309 M552	R101-L550 HydrophobicContact CB-CD1 3.77Å; N218-L550 WeakPolarHBondContact O-CD2 3.34Å; L295-L550 HydrophobicContact CD1-CD2 3.67Å; L295-L550 HydrophobicContact CD2-CB 4.38Å; L295-L550 HydrophobicContact CD2-CD2 4.15Å; G307-L550 PolarHBondContact O-N 3.48Å; M309-L550 HydrophobicContact CG-CB 3.9Å; M309-L550 HydrophobicContact SD-CB 4.03Å; M309-L550 HydrophobicContact SD-CD1 3.78Å; L550-M552 WeakPolarHBondContact O-CG 3.33Å; L550-M552 PolarHBondContact O-N 2.87Å; L550-M552 VanDerWaalsContact O-N 3.11Å
551	D	96.5	Very high	95.9	Very high	73 Å²	73	34.3 Å²	34.3	39%	0.39	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	26.2	177.3	-58.1	-37.3	0	0	0	113.8	T99 R101 Y549	T99-D551 PolarHBondContact O-N 2.98Å; R101-D551 IonicContact NH2-OD2 3.79Å; R101-D551 PolarHBondContact NH2-OD2 3.32Å; Y549-D551 PolarHBondContact O-N 3.49Å
552	M	95.6	Very high	95.7	Very high	43 Å²	43	42 Å²	42	21%	0.212	21%	0.209	C	C	.	.			trans	-133.5	72.7	-178.2	-65.3	-174.8	-175.6	0	0	113.1	Y214 K306 Y549 L550 D554 K555 T556	Y214-M552 WeakPolarHBondContact OH-CE 3.41Å; K306-M552 HydrophobicContact CB-SD 4.28Å; K306-M552 HydrophobicContact CG-SD 3.99Å; Y549-M552 PolarHBondContact O-N 3.31Å; L550-M552 WeakPolarHBondContact O-CG 3.33Å; L550-M552 PolarHBondContact O-N 2.87Å; L550-M552 VanDerWaalsContact O-N 3.11Å; M552-D554 PolarHBondContact O-N 2.89Å; M552-K555 HydrophobicContact CB-CB 4.12Å; M552-K555 HydrophobicContact CB-CG 4.44Å; M552-K555 PolarHBondContact O-N 3.13Å; M552-K555 HydrophobicContact SD-CG 4.44Å; M552-T556 PolarHBondContact O-N 3.43Å; M552-T556 VanDerWaalsContact O-N 3.09Å; M552-T556 PolarHBondContact O-OG1 3.49Å
553	P	95.9	Very high	95.5	Very high	61 Å²	61	46.8 Å²	46.8	40%	0.396	23%	0.234	S	C	.	.	H	α-helix	trans	-59.9	-46.9	-177.4	22.8	-33	0	0	0	112.9	T99 K555 T556 Q557	T99-P553 HydrophobicContact CG2-CB 4.31Å; P553-K555 VanDerWaalsContact C-N 3.33Å; P553-K555 PolarHBondContact O-N 3.32Å; P553-T556 WeakPolarHBondContact O-CB 3.49Å; P553-T556 PolarHBondContact O-N 3.34Å; P553-Q557 PolarHBondContact O-N 2.75Å
554	D	94.1	Very high	95.5	Very high	115 Å²	115	46.1 Å²	46.1	62%	0.615	23%	0.233	S	C	*	.	H	α-helix	trans	-59.6	-43.9	-178.8	-55.1	-21.9	0	0	0	111.7	M552 T556 Q557 E558	M552-D554 PolarHBondContact O-N 2.89Å; D554-T556 VanDerWaalsContact C-N 3.26Å; D554-T556 PolarHBondContact O-N 2.96Å; D554-Q557 PolarHBondContact O-N 3.28Å; D554-E558 WeakPolarHBondContact O-CB 3.49Å; D554-E558 WeakPolarHBondContact O-CG 3.39Å; D554-E558 PolarHBondContact O-N 2.97Å
555	K	91.8	Very high	95.6	Very high	78 Å²	78	47.3 Å²	47.3	34%	0.339	24%	0.237	S	C	.	.	H	α-helix	trans	-70	-25.1	178.1	-62.6	-47.5	-175.8	-167.3	0	113.2	Y549 M552 P553 E558 A559	Y549-K555 HydrophobicContact CD2-CB 3.9Å; Y549-K555 WeakPolarHBondContact CD2-O 3.25Å; Y549-K555 HydrophobicContact CE2-CB 4.37Å; Y549-K555 WeakPolarHBondContact CE2-O 3.39Å; M552-K555 HydrophobicContact CB-CB 4.12Å; M552-K555 HydrophobicContact CB-CG 4.44Å; M552-K555 PolarHBondContact O-N 3.13Å; M552-K555 HydrophobicContact SD-CG 4.44Å; P553-K555 VanDerWaalsContact C-N 3.33Å; P553-K555 PolarHBondContact O-N 3.32Å; K555-E558 WeakPolarHBondContact CD-OE2 3.29Å; K555-E558 IonicContact NZ-OE1 3.87Å; K555-E558 PolarHBondContact NZ-OE1 2.77Å; K555-E558 IonicContact NZ-OE2 2.73Å; K555-E558 PolarHBondContact NZ-OE2 3.14Å; K555-A559 WeakPolarHBondContact O-CB 3.17Å; K555-A559 PolarHBondContact O-N 3.38Å
556	T	95.7	Very high	95.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-76.7	-43.3	175.9	-57.5	0	0	0	0	110.3	W97 T99 Y549 M552 P553 D554 E558 A559 I560	W97-T556 HydrophobicContact CB-CG2 4.18Å; W97-T556 HydrophobicContact CD2-CG2 3.76Å; W97-T556 HydrophobicContact CE3-CG2 3.46Å; W97-T556 VanDerWaalsContact CE3-CG2 3.46Å; W97-T556 HydrophobicContact CG-CG2 4.1Å; W97-T556 HydrophobicContact CZ3-CG2 4.07Å; T99-T556 HydrophobicContact CG2-CG2 4.31Å; T99-T556 VanDerWaalsContact CG2-OG1 3.32Å; T99-T556 WeakPolarHBondContact CG2-OG1 3.31Å; Y549-T556 PolarHBondContact N-OG1 2.78Å; M552-T556 PolarHBondContact O-N 3.43Å; M552-T556 VanDerWaalsContact O-N 3.09Å; M552-T556 PolarHBondContact O-OG1 3.49Å; P553-T556 WeakPolarHBondContact O-CB 3.49Å; P553-T556 PolarHBondContact O-N 3.34Å; D554-T556 VanDerWaalsContact C-N 3.26Å; D554-T556 PolarHBondContact O-N 2.96Å; T556-E558 VanDerWaalsContact C-N 3.33Å; T556-E558 PolarHBondContact O-N 3.25Å; T556-A559 PolarHBondContact O-N 3.46Å; T556-I560 HydrophobicContact CG2-CD1 4.36Å; T556-I560 PolarHBondContact O-N 3.45Å
557	Q	94.8	Very high	95.5	Very high	122 Å²	122	49.1 Å²	49.1	57%	0.57	25%	0.246	S	C	*	.	H	α-helix	trans	-69.2	-29.4	176	-169	173.7	-0.8	0	0	112.8	P553 D554 A559	P553-Q557 PolarHBondContact O-N 2.75Å; D554-Q557 PolarHBondContact O-N 3.28Å; Q557-A559 PolarHBondContact O-N 3.27Å
558	E	92.6	Very high	95.4	Very high	113 Å²	113	49.4 Å²	49.4	53%	0.528	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-27.8	168.2	-78.5	173.1	-156.9	0	0	112.7	D554 K555 T556	D554-E558 WeakPolarHBondContact O-CB 3.49Å; D554-E558 WeakPolarHBondContact O-CG 3.39Å; D554-E558 PolarHBondContact O-N 2.97Å; K555-E558 WeakPolarHBondContact CD-OE2 3.29Å; K555-E558 IonicContact NZ-OE1 3.87Å; K555-E558 PolarHBondContact NZ-OE1 2.77Å; K555-E558 IonicContact NZ-OE2 2.73Å; K555-E558 PolarHBondContact NZ-OE2 3.14Å; T556-E558 VanDerWaalsContact C-N 3.33Å; T556-E558 PolarHBondContact O-N 3.25Å
559	A	94.9	Very high	95.1	Very high	11 Å²	11	50.3 Å²	50.3	9%	0.091	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-30.8	-172.8	0	0	0	0	0	113.4	F546 Y549 K555 T556 Q557 L566 H567	F546-A559 HydrophobicContact CZ-CB 4.34Å; Y549-A559 HydrophobicContact CE2-CB 3.95Å; K555-A559 WeakPolarHBondContact O-CB 3.17Å; K555-A559 PolarHBondContact O-N 3.38Å; T556-A559 PolarHBondContact O-N 3.46Å; Q557-A559 PolarHBondContact O-N 3.27Å; A559-L566 HydrophobicContact CB-CD1 4.21Å; A559-L566 CarbonylContact O-C 3.54Å; A559-L566 WeakPolarHBondContact O-CA 3.48Å; A559-L566 WeakPolarHBondContact O-CD1 3.31Å; A559-H567 PolarHBondContact O-N 2.93Å
560	I	96.7	Very high	94.8	Very high	2 Å²	2	51 Å²	51	1%	0.01	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-115.5	120.3	178.2	-58.7	173.8	0	0	0	108.8	W97 V545 F546 T556 W565	W97-I560 HydrophobicContact CB-CD1 3.6Å; W97-I560 HydrophobicContact CG-CD1 4.08Å; V545-I560 HydrophobicContact CG1-CD1 4.49Å; F546-I560 HydrophobicContact CD1-CD1 4.07Å; F546-I560 HydrophobicContact CE1-CD1 3.52Å; F546-I560 HydrophobicContact CE1-CG1 3.75Å; F546-I560 HydrophobicContact CZ-CD1 4.37Å; T556-I560 HydrophobicContact CG2-CD1 4.36Å; T556-I560 PolarHBondContact O-N 3.45Å; I560-W565 VanDerWaalsContact CA-O 3.31Å; I560-W565 WeakPolarHBondContact CA-O 3.33Å
561	D	94.9	Very high	94.5	Very high	35 Å²	35	52.8 Å²	52.8	19%	0.187	27%	0.271	C	S	.	.			trans	-72.8	175.7	177.2	73.9	8.8	0	0	0	113	R526 D563 G564 W565 H567	R526-D561 IonicContact NH1-OD2 3.21Å; D561-D563 PolarHBondContact O-N 3.26Å; D561-D563 WeakPolarHBondContact OD1-CA 3.48Å; D561-D563 WeakPolarHBondContact OD1-CB 3.48Å; D561-D563 PolarHBondContact OD1-N 3.07Å; D561-G564 PolarHBondContact O-N 3.19Å; D561-G564 PolarHBondContact OD1-N 3.47Å; D561-W565 PolarHBondContact N-O 3.3Å; D561-W565 PolarHBondContact OD1-N 2.89Å; D561-H567 IonicContact OD2-NE2 3.08Å
562	E	91.9	Very high	94.4	Very high	197 Å²	197	49.3 Å²	49.3	92%	0.921	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.3	-179.4	-62.2	-176.5	171.9	0	0	113	G564	E562-G564 VanDerWaalsContact C-N 3.27Å
563	D	91.8	Very high	94.4	Very high	101 Å²	101	50.6 Å²	50.6	54%	0.54	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.4	175.6	-72.9	-21.2	0	0	0	112.4	R526 D561	R526-D563 IonicContact CZ-OD2 2.57Å; R526-D563 IonicContact NH1-OD2 3.36Å; R526-D563 PolarHBondContact NH1-OD2 3.13Å; R526-D563 VanDerWaalsContact NH1-OD2 3.09Å; R526-D563 IonicContact NH2-OD2 2.8Å; D561-D563 PolarHBondContact O-N 3.26Å; D561-D563 WeakPolarHBondContact OD1-CA 3.48Å; D561-D563 WeakPolarHBondContact OD1-CB 3.48Å; D561-D563 PolarHBondContact OD1-N 3.07Å
564	G	93.8	Very high	94.4	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.021	25%	0.251	C	S	.	.			trans	86.8	15.8	179.3	0	0	0	0	0	115.5	R108 D561 E562	R108-G564 PolarHBondContact NE-O 3.31Å; R108-G564 PolarHBondContact NH2-O 3.44Å; R108-G564 VanDerWaalsContact NH2-O 3.12Å; D561-G564 PolarHBondContact O-N 3.19Å; D561-G564 PolarHBondContact OD1-N 3.47Å; E562-G564 VanDerWaalsContact C-N 3.27Å
565	W	97.4	Very high	94.3	Very high	26 Å²	26	46.8 Å²	46.8	10%	0.098	23%	0.231	C	C	.	.			trans	-81.2	134.2	173.6	-67.8	74.6	0	0	0	111.1	K524 R526 C539 F540 W541 I560 D561	K524-W565 HydrophobicContact CB-CH2 3.79Å; K524-W565 HydrophobicContact CB-CZ3 4.23Å; K524-W565 WeakPolarHBondContact O-CZ3 3.47Å; R526-W565 HydrophobicContact CB-CD2 4.14Å; R526-W565 HydrophobicContact CB-CE3 3.57Å; R526-W565 HydrophobicContact CB-CH2 3.76Å; R526-W565 HydrophobicContact CB-CZ2 4.31Å; R526-W565 HydrophobicContact CB-CZ3 3.38Å; R526-W565 VanDerWaalsContact CZ-CD1 3.46Å; R526-W565 VanDerWaalsContact N-CZ3 3.35Å; R526-W565 VanDerWaalsContact NE-CE2 3.32Å; R526-W565 VanDerWaalsContact NH2-CE2 3.27Å; C539-W565 HydrophobicContact CB-CB 4.25Å; C539-W565 HydrophobicContact CB-CE3 4.02Å; F540-W565 WeakPolarHBondContact O-CA 3.38Å; W541-W565 HydrophobicContact CB-CD2 3.76Å; W541-W565 HydrophobicContact CB-CE3 3.52Å; W541-W565 HydrophobicContact CB-CH2 3.64Å; W541-W565 HydrophobicContact CB-CZ2 3.86Å; W541-W565 HydrophobicContact CB-CZ3 3.44Å; W541-W565 VanDerWaalsContact CB-CZ3 3.44Å; W541-W565 AromaticContact CD1-CE2 3.87Å; W541-W565 AromaticContact CD1-NE1 3.85Å; W541-W565 HydrophobicContact CG-CD2 4.35Å; W541-W565 HydrophobicContact CG-CH2 4.37Å; W541-W565 HydrophobicContact CG-CZ2 4.16Å; I560-W565 VanDerWaalsContact CA-O 3.31Å; I560-W565 WeakPolarHBondContact CA-O 3.33Å; D561-W565 PolarHBondContact N-O 3.3Å; D561-W565 PolarHBondContact OD1-N 2.89Å
566	L	98.3	Very high	94.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	115.9	174.1	169.9	62	0	0	0	109.8	M496 E498 C539 F540 V545 F546 A559 S568	M496-L566 HydrophobicContact SD-CD2 4.2Å; E498-L566 HydrophobicContact CB-CD1 4.1Å; E498-L566 HydrophobicContact CB-CD2 3.7Å; E498-L566 VanDerWaalsContact O-CD2 3.29Å; E498-L566 WeakPolarHBondContact O-CD2 3.26Å; C539-L566 CarbonylContact C-O 3.5Å; C539-L566 VanDerWaalsContact CA-O 3.22Å; C539-L566 WeakPolarHBondContact CA-O 3.5Å; F540-L566 HydrophobicContact CB-CB 4.29Å; F540-L566 HydrophobicContact CD2-CD2 3.99Å; F540-L566 HydrophobicContact CD2-CG 4.44Å; F540-L566 PolarHBondContact N-O 3.09Å; F540-L566 PolarHBondContact O-N 3.06Å; V545-L566 HydrophobicContact CG1-CB 3.89Å; V545-L566 HydrophobicContact CG1-CD2 4.19Å; V545-L566 HydrophobicContact CG2-CB 4.18Å; V545-L566 HydrophobicContact CG2-CD2 4.4Å; F546-L566 HydrophobicContact CE1-CD1 3.89Å; F546-L566 HydrophobicContact CZ-CD1 4.49Å; A559-L566 HydrophobicContact CB-CD1 4.21Å; A559-L566 CarbonylContact O-C 3.54Å; A559-L566 WeakPolarHBondContact O-CA 3.48Å; A559-L566 WeakPolarHBondContact O-CD1 3.31Å; L566-S568 PolarHBondContact O-N 2.88Å
567	H	97.4	Very high	94.1	Very high	39 Å²	39	57.5 Å²	57.5	18%	0.181	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	114.2	171	-75.9	-99.5	0	0	0	110.1	E537 A559 D561 G569	E537-H567 VanDerWaalsContact CD-ND1 3.32Å; E537-H567 WeakPolarHBondContact OE1-CB 3.41Å; E537-H567 IonicContact OE1-CG 2.7Å; E537-H567 IonicContact OE1-ND1 2.82Å; E537-H567 IonicContact OE2-CE1 3.94Å; E537-H567 IonicContact OE2-CG 2.71Å; E537-H567 IonicContact OE2-ND1 2.83Å; E537-H567 PolarHBondContact OE2-ND1 2.94Å; A559-H567 PolarHBondContact O-N 2.93Å; D561-H567 IonicContact OD2-NE2 3.08Å; H567-G569 VanDerWaalsContact C-N 3.31Å; H567-G569 PolarHBondContact O-N 2.79Å
568	S	94.9	Very high	93.9	Very high	7 Å²	7	53.3 Å²	53.3	5%	0.049	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-23.6	-178.2	68.5	0	0	0	0	113.1	Y494 I538 L566 D570	Y494-S568 WeakPolarHBondContact OH-CB 3.48Å; Y494-S568 PolarHBondContact OH-OG 3.23Å; I538-S568 WeakPolarHBondContact O-CB 3.46Å; I538-S568 PolarHBondContact O-N 3.12Å; I538-S568 PolarHBondContact O-OG 3.04Å; L566-S568 PolarHBondContact O-N 2.88Å; S568-D570 PolarHBondContact O-N 3.38Å; S568-D570 PolarHBondContact OG-N 3.31Å; S568-D570 PolarHBondContact OG-O 2.89Å
569	G	91.8	Very high	94	Very high	19 Å²	19	48.8 Å²	48.8	20%	0.196	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	72.4	4.2	-167.3	0	0	0	0	0	114.5	E537 H567 R585 I586	E537-G569 VanDerWaalsContact OE1-CA 3.3Å; E537-G569 WeakPolarHBondContact OE1-CA 3.36Å; E537-G569 PolarHBondContact OE1-N 3.38Å; H567-G569 VanDerWaalsContact C-N 3.31Å; H567-G569 PolarHBondContact O-N 2.79Å; G569-R585 WeakPolarHBondContact O-CG 3.34Å; G569-I586 WeakPolarHBondContact O-CB 3.27Å; G569-I586 WeakPolarHBondContact O-CG1 3.36Å; G569-I586 PolarHBondContact O-N 3.17Å
570	D	92.5	Very high	94.1	Very high	25 Å²	25	48.3 Å²	48.3	13%	0.134	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.5	175.5	-59.3	-39.8	0	0	0	110.5	Y494 E537 I538 S568 R585	Y494-D570 WeakPolarHBondContact CE2-OD2 3.34Å; Y494-D570 VanDerWaalsContact OH-CB 3.28Å; Y494-D570 WeakPolarHBondContact OH-CB 3.45Å; Y494-D570 PolarHBondContact OH-OD2 2.87Å; E537-D570 WeakPolarHBondContact CA-O 3.1Å; I538-D570 HydrophobicContact CD1-CB 4.46Å; I538-D570 PolarHBondContact N-O 3.05Å; S568-D570 PolarHBondContact O-N 3.38Å; S568-D570 PolarHBondContact OG-N 3.31Å; S568-D570 PolarHBondContact OG-O 2.89Å; D570-R585 VanDerWaalsContact OD1-CD 3.32Å; D570-R585 WeakPolarHBondContact OD1-CD 3.28Å; D570-R585 WeakPolarHBondContact OD1-CG 3.29Å; D570-R585 IonicContact OD1-NE 3.97Å; D570-R585 PolarHBondContact OD1-NE 3.24Å
571	L	91.5	Very high	94	Very high	39 Å²	39	49.8 Å²	49.8	20%	0.204	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	143.6	176.7	-65.5	173.5	0	0	0	109.8	G536 E537 I582 T583 G584 I586 M589	G536-L571 WeakPolarHBondContact O-CA 3.33Å; E537-L571 HydrophobicContact CB-CD2 4.43Å; L571-I582 CarbonylContact O-C 3.47Å; L571-I582 WeakPolarHBondContact O-CA 3.31Å; L571-T583 PolarHBondContact O-N 2.94Å; L571-T583 PolarHBondContact O-OG1 3Å; L571-G584 PolarHBondContact N-O 3.5Å; L571-G584 PolarHBondContact O-N 2.87Å; L571-I586 HydrophobicContact CD1-CG1 4.48Å; L571-I586 HydrophobicContact CD2-CD1 4.24Å; L571-I586 HydrophobicContact CD2-CG1 3.88Å; L571-I586 HydrophobicContact CG-CG1 3.9Å; L571-M589 HydrophobicContact CD1-CG 4.25Å; L571-M589 HydrophobicContact CD1-SD 4.14Å
572	G	94.3	Very high	93.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-179.9	175.3	0	0	0	0	0	113.9	L527 N535 G536 F581	L527-G572 WeakPolarHBondContact CD2-O 3.36Å; N535-G572 WeakPolarHBondContact CA-O 3.28Å; G536-G572 PolarHBondContact N-O 3.39Å; G536-G572 PolarHBondContact O-N 2.78Å; G572-F581 CarbonylContact C-O 3.55Å; G572-F581 WeakPolarHBondContact CA-O 3.28Å
573	K	94.9	Very high	93.5	Very high	69 Å²	69	44 Å²	44	30%	0.3	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156	178.4	63.4	-178.9	172.6	-167.9	0	112	G534 N535 F581 T583	G534-K573 WeakPolarHBondContact O-CB 3.39Å; N535-K573 WeakPolarHBondContact OD1-CD 3.45Å; K573-F581 PolarHBondContact N-O 2.53Å; K573-F581 PolarHBondContact O-N 3.15Å; K573-T583 HydrophobicContact CG-CG2 4.39Å
574	H	95.6	Very high	93.1	Very high	62 Å²	62	39.8 Å²	39.8	29%	0.287	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	144.6	167.8	-70.6	99.8	0	0	0	110.5	E519 F579	E519-H574 IonicContact OE1-NE2 3.78Å; H574-F579 CarbonylContact C-O 3.47Å; H574-F579 VanDerWaalsContact CA-O 3.31Å; H574-F579 WeakPolarHBondContact CA-O 3.32Å
575	D	93.4	Very high	92.6	Very high	34 Å²	34	43.9 Å²	43.9	18%	0.182	23%	0.227	C	C	.	.			trans	-85.2	175.3	162.7	81	-2.4	0	0	0	112	K512 N577 G578 F579 F581	K512-D575 IonicContact NZ-OD2 2.77Å; K512-D575 PolarHBondContact NZ-OD2 3.01Å; D575-N577 PolarHBondContact O-N 3.26Å; D575-N577 WeakPolarHBondContact OD1-CA 3.11Å; D575-N577 WeakPolarHBondContact OD1-CB 3.33Å; D575-N577 PolarHBondContact OD1-N 3.43Å; D575-G578 PolarHBondContact O-N 3.39Å; D575-G578 PolarHBondContact OD1-N 3.49Å; D575-F579 PolarHBondContact N-O 2.8Å; D575-F579 WeakPolarHBondContact OD1-CB 3.39Å; D575-F579 PolarHBondContact OD1-N 2.93Å; D575-F581 HydrophobicContact CB-CE2 3.96Å
576	E	91.6	Very high	91.9	Very high	201 Å²	201	46.2 Å²	46.2	94%	0.939	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.9	179.1	-61.5	176.6	-178.8	0	0	114
577	N	90.1	Very high	90.8	Very high	103 Å²	103	52.8 Å²	52.8	55%	0.551	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	5.2	179.1	-60.9	-70.3	0	0	0	112.5	K518 D575 F579	K518-N577 WeakPolarHBondContact CE-O 3.29Å; K518-N577 PolarHBondContact NZ-O 3.04Å; D575-N577 PolarHBondContact O-N 3.26Å; D575-N577 WeakPolarHBondContact OD1-CA 3.11Å; D575-N577 WeakPolarHBondContact OD1-CB 3.33Å; D575-N577 PolarHBondContact OD1-N 3.43Å; N577-F579 HydrophobicContact CB-CD2 3.85Å; N577-F579 HydrophobicContact CB-CE2 4.09Å
578	G	91.8	Very high	89.9	Confident	33 Å²	33	52.9 Å²	52.9	34%	0.34	27%	0.27	S	S	.	.			trans	77.2	19.5	-179.7	0	0	0	0	0	114.4	D575	D575-G578 PolarHBondContact O-N 3.39Å; D575-G578 PolarHBondContact OD1-N 3.49Å
579	F	95.6	Very high	89.1	Confident	18 Å²	18	54.1 Å²	54.1	8%	0.079	28%	0.275	C	S	.	.			trans	-79.2	131.2	171.1	-77.4	-74.9	0	0	0	110.7	A510 K512 S515 K518 H574 D575 N577 F581	A510-F579 VanDerWaalsContact C-CE1 3.5Å; A510-F579 HydrophobicContact CB-CE1 4.04Å; A510-F579 HydrophobicContact CB-CZ 4.1Å; A510-F579 WeakPolarHBondContact O-CE1 3.32Å; K512-F579 HydrophobicContact CB-CD1 4.16Å; K512-F579 HydrophobicContact CB-CD2 4.3Å; K512-F579 HydrophobicContact CB-CE1 4.09Å; K512-F579 HydrophobicContact CB-CE2 4.26Å; K512-F579 HydrophobicContact CB-CG 4.25Å; K512-F579 HydrophobicContact CB-CZ 4.15Å; K512-F579 HydrophobicContact CD-CD2 4.02Å; K512-F579 HydrophobicContact CD-CE2 4.41Å; K512-F579 HydrophobicContact CD-CG 4.36Å; S515-F579 WeakPolarHBondContact OG-CB 3.23Å; S515-F579 VanDerWaalsContact OG-CD1 3.31Å; S515-F579 WeakPolarHBondContact OG-CD1 3.23Å; K518-F579 HydrophobicContact CG-CD1 4.09Å; K518-F579 HydrophobicContact CG-CE1 4.2Å; H574-F579 CarbonylContact C-O 3.47Å; H574-F579 VanDerWaalsContact CA-O 3.31Å; H574-F579 WeakPolarHBondContact CA-O 3.32Å; D575-F579 PolarHBondContact N-O 2.8Å; D575-F579 WeakPolarHBondContact OD1-CB 3.39Å; D575-F579 PolarHBondContact OD1-N 2.93Å; N577-F579 HydrophobicContact CB-CD2 3.85Å; N577-F579 HydrophobicContact CB-CE2 4.09Å; F579-F581 HydrophobicContact CB-CD2 4.49Å; F579-F581 HydrophobicContact CB-CE2 3.75Å; F579-F581 HydrophobicContact CB-CZ 4.37Å; F579-F581 WeakPolarHBondContact O-CD2 3.45Å
580	L	96.6	Very high	88.6	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	135.5	176.1	-177.1	64.1	0	0	0	110.6	Y494 T504 S515 C516 G517 I538	Y494-L580 HydrophobicContact CD1-CD2 3.83Å; Y494-L580 HydrophobicContact CE1-CD2 4.27Å; T504-L580 HydrophobicContact CG2-CB 4.4Å; T504-L580 HydrophobicContact CG2-CD2 3.63Å; S515-L580 WeakPolarHBondContact CA-O 3.45Å; S515-L580 PolarHBondContact OG-O 3.47Å; C516-L580 PolarHBondContact N-O 3.4Å; G517-L580 PolarHBondContact O-N 2.94Å; I538-L580 HydrophobicContact CD1-CD1 4.13Å; I538-L580 HydrophobicContact CD1-CD2 4.33Å; I538-L580 HydrophobicContact CD1-CG 4.49Å; I538-L580 HydrophobicContact CG1-CD1 4.38Å; I538-L580 HydrophobicContact CG2-CD1 4.47Å; I538-L580 HydrophobicContact CG2-CD2 4.2Å
581	F	93.7	Very high	88	Confident	34 Å²	34	56.1 Å²	56.1	15%	0.149	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.3	173.2	-67	-94.4	0	0	0	109.9	K512 T514 G572 K573 D575 F579	K512-F581 HydrophobicContact CD-CE2 4.5Å; K512-F581 HydrophobicContact CD-CZ 3.8Å; K512-F581 HydrophobicContact CG-CZ 4.2Å; T514-F581 VanDerWaalsContact O-CD1 3.27Å; T514-F581 WeakPolarHBondContact O-CD1 3.26Å; G572-F581 CarbonylContact C-O 3.55Å; G572-F581 WeakPolarHBondContact CA-O 3.28Å; K573-F581 PolarHBondContact N-O 2.53Å; K573-F581 PolarHBondContact O-N 3.15Å; D575-F581 HydrophobicContact CB-CE2 3.96Å; F579-F581 HydrophobicContact CB-CD2 4.49Å; F579-F581 HydrophobicContact CB-CE2 3.75Å; F579-F581 HydrophobicContact CB-CZ 4.37Å; F579-F581 WeakPolarHBondContact O-CD2 3.45Å
582	I	91	Very high	87.5	Confident	66 Å²	66	54.8 Å²	54.8	34%	0.338	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.7	172.8	-56.7	169	0	0	0	108.3	Y494 C516 I538 L571	Y494-I582 HydrophobicContact CD1-CD1 4.25Å; Y494-I582 HydrophobicContact CD2-CD1 3.31Å; Y494-I582 HydrophobicContact CD2-CG1 4.34Å; Y494-I582 HydrophobicContact CE1-CD1 4.44Å; Y494-I582 HydrophobicContact CE2-CD1 3.6Å; Y494-I582 HydrophobicContact CE2-CG1 4.43Å; Y494-I582 HydrophobicContact CG-CD1 3.68Å; Y494-I582 HydrophobicContact CG-CG1 4.38Å; C516-I582 WeakPolarHBondContact SG-CD1 3.32Å; I538-I582 HydrophobicContact CD1-CG1 4.22Å; L571-I582 CarbonylContact O-C 3.47Å; L571-I582 WeakPolarHBondContact O-CA 3.31Å
583	T	85.9	Confident	86.5	Confident	44 Å²	44	58.1 Å²	58.1	27%	0.27	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-14.5	-176.8	56.7	0	0	0	0	113.3	N535 L571 K573	N535-T583 VanDerWaalsContact OD1-CG2 3.25Å; N535-T583 WeakPolarHBondContact OD1-CG2 3.41Å; N535-T583 PolarHBondContact OD1-OG1 2.91Å; L571-T583 PolarHBondContact O-N 2.94Å; L571-T583 PolarHBondContact O-OG1 3Å; K573-T583 HydrophobicContact CG-CG2 4.39Å
584	G	82.4	Confident	85.1	Confident	13 Å²	13	58.6 Å²	58.6	13%	0.134	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.5	-171.6	175.1	0	0	0	0	0	113	L571	L571-G584 PolarHBondContact N-O 3.5Å; L571-G584 PolarHBondContact O-N 2.87Å
585	R	83.6	Confident	83.8	Confident	87 Å²	87	58 Å²	58	33%	0.328	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	124.3	175.9	-176.8	169.2	-158.7	-160.4	5.6	109.9	G569 D570 K587 E588 M589	G569-R585 WeakPolarHBondContact O-CG 3.34Å; D570-R585 VanDerWaalsContact OD1-CD 3.32Å; D570-R585 WeakPolarHBondContact OD1-CD 3.28Å; D570-R585 WeakPolarHBondContact OD1-CG 3.29Å; D570-R585 IonicContact OD1-NE 3.97Å; D570-R585 PolarHBondContact OD1-NE 3.24Å; R585-K587 VanDerWaalsContact C-N 3.31Å; R585-K587 PolarHBondContact O-N 3.31Å; R585-E588 HydrophobicContact CB-CB 4.23Å; R585-E588 HydrophobicContact CB-CG 4.43Å; R585-E588 WeakPolarHBondContact CD-OE1 3.17Å; R585-E588 HydrophobicContact CG-CG 4.35Å; R585-E588 IonicContact NH1-OE1 4Å; R585-E588 PolarHBondContact NH1-OE1 2.86Å; R585-E588 CarbonylContact O-C 3.56Å; R585-E588 WeakPolarHBondContact O-CA 3.26Å; R585-E588 PolarHBondContact O-N 3.1Å; R585-M589 WeakPolarHBondContact O-CG 3.19Å; R585-M589 PolarHBondContact O-N 3.29Å
586	I	82.3	Confident	82.5	Confident	75 Å²	75	59.8 Å²	59.8	39%	0.385	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-53.5	-47.5	-169.5	-63	174.9	0	0	0	111.3	E537 G569 L571 E588 M589	E537-I586 HydrophobicContact CB-CD1 3.95Å; E537-I586 HydrophobicContact CG-CD1 3.79Å; G569-I586 WeakPolarHBondContact O-CB 3.27Å; G569-I586 WeakPolarHBondContact O-CG1 3.36Å; G569-I586 PolarHBondContact O-N 3.17Å; L571-I586 HydrophobicContact CD1-CG1 4.48Å; L571-I586 HydrophobicContact CD2-CD1 4.24Å; L571-I586 HydrophobicContact CD2-CG1 3.88Å; L571-I586 HydrophobicContact CG-CG1 3.9Å; I586-E588 PolarHBondContact O-N 3.14Å; I586-M589 WeakPolarHBondContact O-CB 3.32Å; I586-M589 PolarHBondContact O-N 3.05Å
587	K	76.3	Confident	81.6	Confident	139 Å²	139	54.8 Å²	54.8	60%	0.604	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-73.6	-11.7	-179.2	-66.2	-173	179.5	178.4	0	114.6	R585	R585-K587 VanDerWaalsContact C-N 3.31Å; R585-K587 PolarHBondContact O-N 3.31Å
588	E	77.6	Confident	81.1	Confident	41 Å²	41	49.9 Å²	49.9	19%	0.192	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-108	-1.8	176.5	-60.4	-174.7	-153.7	0	0	112.2	R585 I586 I590 P600 R724	R585-E588 HydrophobicContact CB-CB 4.23Å; R585-E588 HydrophobicContact CB-CG 4.43Å; R585-E588 WeakPolarHBondContact CD-OE1 3.17Å; R585-E588 HydrophobicContact CG-CG 4.35Å; R585-E588 IonicContact NH1-OE1 4Å; R585-E588 PolarHBondContact NH1-OE1 2.86Å; R585-E588 CarbonylContact O-C 3.56Å; R585-E588 WeakPolarHBondContact O-CA 3.26Å; R585-E588 PolarHBondContact O-N 3.1Å; I586-E588 PolarHBondContact O-N 3.14Å; E588-I590 PolarHBondContact O-N 3.25Å; E588-P600 HydrophobicContact CB-CG 4.46Å; E588-P600 VanDerWaalsContact O-CD 3.25Å; E588-P600 WeakPolarHBondContact O-CD 3.44Å; E588-P600 WeakPolarHBondContact O-CG 3.49Å; E588-R724 WeakPolarHBondContact OE2-CD 3.34Å; E588-R724 IonicContact OE2-CZ 2.67Å; E588-R724 IonicContact OE2-NE 2.61Å; E588-R724 PolarHBondContact OE2-NE 3.33Å; E588-R724 IonicContact OE2-NH2 2.63Å
589	M	77.9	Confident	80.6	Confident	33 Å²	33	49.8 Å²	49.8	16%	0.163	29%	0.291	C	S	.	.			trans	-60	123.4	172.7	-70.2	-57.1	-69.3	0	0	109	L571 R585 I586 I591 N597 P599	L571-M589 HydrophobicContact CD1-CG 4.25Å; L571-M589 HydrophobicContact CD1-SD 4.14Å; R585-M589 WeakPolarHBondContact O-CG 3.19Å; R585-M589 PolarHBondContact O-N 3.29Å; I586-M589 WeakPolarHBondContact O-CB 3.32Å; I586-M589 PolarHBondContact O-N 3.05Å; M589-I591 PolarHBondContact O-N 2.89Å; M589-N597 HydrophobicContact CE-CB 3.78Å; M589-P599 HydrophobicContact CE-CB 4.34Å; M589-P599 HydrophobicContact SD-CB 3.92Å
590	I	82.3	Confident	80.2	Confident	9 Å²	9	49.1 Å²	49.1	5%	0.046	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.6	171.7	-75.2	169.7	0	0	0	106.8	E588 T592 N597 I598 P600 L619 L627	E588-I590 PolarHBondContact O-N 3.25Å; I590-T592 HydrophobicContact CG2-CG2 4.11Å; I590-N597 CarbonylContact O-C 3.48Å; I590-I598 HydrophobicContact CB-CB 4.21Å; I590-I598 HydrophobicContact CG2-CB 4.37Å; I590-I598 PolarHBondContact N-O 3.43Å; I590-I598 PolarHBondContact O-N 3.24Å; I590-P600 HydrophobicContact CD1-CB 3.96Å; I590-L619 HydrophobicContact CD1-CB 4.31Å; I590-L619 HydrophobicContact CD1-CD2 3.84Å; I590-L619 HydrophobicContact CD1-CG 3.95Å; I590-L627 HydrophobicContact CD1-CD2 4.45Å; I590-L627 HydrophobicContact CG2-CD2 3.91Å
591	I	80.4	Confident	79.6	Confident	78 Å²	78	51.5 Å²	51.5	40%	0.4	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	103.5	170.2	-49.4	-173.1	0	0	0	106.7	M589 E596 N597 D622 K623	M589-I591 PolarHBondContact O-N 2.89Å; I591-E596 WeakPolarHBondContact CA-O 3.47Å; I591-N597 WeakPolarHBondContact CG1-OD1 3.37Å; I591-D622 PolarHBondContact N-OD1 3.46Å; I591-K623 WeakPolarHBondContact O-CA 3Å; I591-K623 PolarHBondContact O-N 3.37Å
592	T	80.3	Confident	79	Confident	10 Å²	10	53.3 Å²	53.3	6%	0.061	32%	0.315	C	S	.	.			trans	-63.8	165.5	-179.1	65.4	0	0	0	0	111.2	I590 G594 G595 E596 I598 L627	I590-T592 HydrophobicContact CG2-CG2 4.11Å; T592-G594 PolarHBondContact O-N 2.91Å; T592-G594 PolarHBondContact OG1-N 3.2Å; T592-G595 PolarHBondContact O-N 2.99Å; T592-E596 PolarHBondContact N-O 3.34Å; T592-E596 WeakPolarHBondContact OG1-CB 3.34Å; T592-E596 PolarHBondContact OG1-N 2.97Å; T592-I598 HydrophobicContact CG2-CD1 3.43Å; T592-I598 VanDerWaalsContact CG2-CD1 3.43Å; T592-I598 HydrophobicContact CG2-CG1 4.32Å; T592-L627 HydrophobicContact CG2-CD2 4.33Å
593	A	73.3	Confident	78.9	Confident	70 Å²	70	51 Å²	51	58%	0.579	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.7	174.7	0	0	0	0	0	113.3	G595 R624	A593-G595 VanDerWaalsContact C-N 3.35Å; A593-R624 WeakPolarHBondContact CB-O 3.44Å; A593-R624 PolarHBondContact N-O 3.4Å
594	G	66.3	Low	79.2	Confident	79 Å²	79	49.3 Å²	49.3	81%	0.814	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	0.4	174.3	0	0	0	0	0	114.8	T592	T592-G594 PolarHBondContact O-N 2.91Å; T592-G594 PolarHBondContact OG1-N 3.2Å
595	G	67.4	Low	79.3	Confident	49 Å²	49	50.6 Å²	50.6	51%	0.505	30%	0.296	S	S	.	.			trans	84.9	2.1	179.7	0	0	0	0	0	115.3	T592 A593	T592-G595 PolarHBondContact O-N 2.99Å; A593-G595 VanDerWaalsContact C-N 3.35Å
596	E	66.4	Low	79.4	Confident	73 Å²	73	48 Å²	48	34%	0.341	29%	0.294	S	S	.	.			trans	-71.5	129.4	176.3	-170	85.4	154.6	0	0	110.8	I591 T592 I598 S694 A696	I591-E596 WeakPolarHBondContact CA-O 3.47Å; T592-E596 PolarHBondContact N-O 3.34Å; T592-E596 WeakPolarHBondContact OG1-CB 3.34Å; T592-E596 PolarHBondContact OG1-N 2.97Å; E596-I598 HydrophobicContact CB-CD1 4.46Å; E596-I598 HydrophobicContact CB-CG1 4.36Å; E596-I598 HydrophobicContact CG-CD1 4.11Å; E596-I598 HydrophobicContact CG-CG1 3.79Å; E596-S694 PolarHBondContact OE1-OG 2.93Å; E596-A696 HydrophobicContact CB-CB 3.93Å; E596-A696 HydrophobicContact CG-CB 3.94Å
597	N	73.3	Confident	80	Confident	95 Å²	95	44.5 Å²	44.5	51%	0.508	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119	174	-67.2	-38.8	0	0	0	110.4	M589 I590 I591	M589-N597 HydrophobicContact CE-CB 3.78Å; I590-N597 CarbonylContact O-C 3.48Å; I591-N597 WeakPolarHBondContact CG1-OD1 3.37Å
598	I	78.1	Confident	80.8	Confident	0 Å²	0	40 Å²	40	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	117.6	-172.9	-55.2	178.7	0	0	0	109.6	I590 T592 E596 P600 I603 L619 L627 A696 Q697	I590-I598 HydrophobicContact CB-CB 4.21Å; I590-I598 HydrophobicContact CG2-CB 4.37Å; I590-I598 PolarHBondContact N-O 3.43Å; I590-I598 PolarHBondContact O-N 3.24Å; T592-I598 HydrophobicContact CG2-CD1 3.43Å; T592-I598 VanDerWaalsContact CG2-CD1 3.43Å; T592-I598 HydrophobicContact CG2-CG1 4.32Å; E596-I598 HydrophobicContact CB-CD1 4.46Å; E596-I598 HydrophobicContact CB-CG1 4.36Å; E596-I598 HydrophobicContact CG-CD1 4.11Å; E596-I598 HydrophobicContact CG-CG1 3.79Å; I598-P600 WeakPolarHBondContact O-CD 3.43Å; I598-I603 HydrophobicContact CG2-CD1 3.59Å; I598-L619 HydrophobicContact CG2-CD2 4.36Å; I598-L627 HydrophobicContact CD1-CD1 3.97Å; I598-L627 HydrophobicContact CD1-CD2 4.02Å; I598-L627 HydrophobicContact CD1-CG 4.22Å; I598-L627 HydrophobicContact CG2-CD1 4.28Å; I598-A696 HydrophobicContact CD1-CB 4.42Å; I598-A696 WeakPolarHBondContact CD1-O 3.4Å; I598-Q697 HydrophobicContact CD1-CG 3.83Å; I598-Q697 HydrophobicContact CG1-CG 3.91Å; I598-Q697 HydrophobicContact CG2-CG 4.15Å
599	P	81.3	Confident	81.1	Confident	32 Å²	32	44.1 Å²	44.1	21%	0.208	28%	0.275	C	S	.	.			trans	-74.3	121.1	171	29.1	-29.7	0	0	0	109.2	M589 P602	M589-P599 HydrophobicContact CE-CB 4.34Å; M589-P599 HydrophobicContact SD-CB 3.92Å; P599-P602 HydrophobicContact CB-CG 4.34Å; P599-P602 HydrophobicContact CG-CG 4.35Å; P599-P602 WeakPolarHBondContact O-CD 3.31Å
600	P	88.2	Confident	81.8	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.019	28%	0.277	C	S	.	.	H	α-helix	trans	-74.8	-36.4	-172.8	26.6	-34.3	0	0	0	114.1	E588 I590 I598 I603 E604 L619	E588-P600 HydrophobicContact CB-CG 4.46Å; E588-P600 VanDerWaalsContact O-CD 3.25Å; E588-P600 WeakPolarHBondContact O-CD 3.44Å; E588-P600 WeakPolarHBondContact O-CG 3.49Å; I590-P600 HydrophobicContact CD1-CB 3.96Å; I598-P600 WeakPolarHBondContact O-CD 3.43Å; P600-I603 PolarHBondContact O-N 3.42Å; P600-E604 WeakPolarHBondContact O-CG 3.4Å; P600-E604 PolarHBondContact O-N 3.14Å; P600-L619 HydrophobicContact CB-CB 3.95Å; P600-L619 HydrophobicContact CB-CD2 3.97Å
601	I	84.5	Confident	82.3	Confident	52 Å²	52	43.7 Å²	43.7	27%	0.267	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-47.3	-171.3	-56.6	-72.6	0	0	0	112.8	P474 I603 E604 D605	P474-I601 HydrophobicContact CB-CG2 4.29Å; P474-I601 HydrophobicContact CG-CG2 4.25Å; I601-I603 VanDerWaalsContact C-N 3.26Å; I601-I603 PolarHBondContact O-N 2.83Å; I601-E604 PolarHBondContact O-N 3.24Å; I601-D605 PolarHBondContact O-N 3.3Å
602	P	80.6	Confident	82.7	Confident	71 Å²	71	43.3 Å²	43.3	46%	0.461	28%	0.28	S	S	.	.	H	α-helix	trans	-57.7	-37.9	178.4	-26.3	36.1	0	0	0	113.6	P599 A606	P599-P602 HydrophobicContact CB-CG 4.34Å; P599-P602 HydrophobicContact CG-CG 4.35Å; P599-P602 WeakPolarHBondContact O-CD 3.31Å; P602-A606 VanDerWaalsContact O-CB 3.31Å; P602-A606 WeakPolarHBondContact O-CB 3.3Å; P602-A606 PolarHBondContact O-N 3.44Å
603	I	88.3	Confident	83.3	Confident	17 Å²	17	43.1 Å²	43.1	9%	0.087	28%	0.279	C	S	.	.	H	α-helix	trans	-72.3	-41.5	179.3	-61.1	174.1	0	0	0	110.4	I598 P600 I601 A606 V607 L619 L627 M629 V688 Q697 I699	I598-I603 HydrophobicContact CG2-CD1 3.59Å; P600-I603 PolarHBondContact O-N 3.42Å; I601-I603 VanDerWaalsContact C-N 3.26Å; I601-I603 PolarHBondContact O-N 2.83Å; I603-A606 PolarHBondContact O-N 2.86Å; I603-V607 WeakPolarHBondContact O-CG2 3.16Å; I603-V607 PolarHBondContact O-N 3.47Å; I603-L619 HydrophobicContact CB-CD2 4.09Å; I603-L619 HydrophobicContact CD1-CD2 3.79Å; I603-L619 HydrophobicContact CG1-CD2 4.49Å; I603-L619 HydrophobicContact CG2-CD1 4.01Å; I603-L619 HydrophobicContact CG2-CD2 4.19Å; I603-L627 HydrophobicContact CD1-CD1 4.24Å; I603-M629 HydrophobicContact CG2-CE 4.07Å; I603-V688 HydrophobicContact CG2-CG1 4.39Å; I603-Q697 HydrophobicContact CD1-CB 4.46Å; I603-I699 HydrophobicContact CG2-CD1 3.74Å; I603-I699 HydrophobicContact CG2-CG1 4.03Å
604	E	92.3	Very high	84.3	Confident	10 Å²	10	39.8 Å²	39.8	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-45.1	176.4	-70	166.8	-178.6	0	0	112	P600 I601 V607 K608 A617 M618 L619 R724	P600-E604 WeakPolarHBondContact O-CG 3.4Å; P600-E604 PolarHBondContact O-N 3.14Å; I601-E604 PolarHBondContact O-N 3.24Å; E604-V607 PolarHBondContact O-N 3.27Å; E604-K608 WeakPolarHBondContact O-CG 3.32Å; E604-K608 PolarHBondContact O-N 3.09Å; E604-A617 HydrophobicContact CB-CB 4.16Å; E604-A617 HydrophobicContact CG-CB 4.42Å; E604-A617 WeakPolarHBondContact CG-O 3.45Å; E604-M618 WeakPolarHBondContact OE1-CA 3.29Å; E604-L619 HydrophobicContact CG-CB 3.84Å; E604-L619 WeakPolarHBondContact OE1-CB 3.4Å; E604-L619 PolarHBondContact OE1-N 3.16Å; E604-R724 IonicContact OE1-CZ 3.25Å; E604-R724 VanDerWaalsContact OE1-CZ 3.24Å; E604-R724 IonicContact OE1-NH1 3.64Å; E604-R724 PolarHBondContact OE1-NH1 3.46Å; E604-R724 IonicContact OE1-NH2 2.78Å; E604-R724 PolarHBondContact OE1-NH2 3.3Å; E604-R724 IonicContact OE2-CZ 3.44Å; E604-R724 IonicContact OE2-NH1 2.78Å; E604-R724 IonicContact OE2-NH2 2.94Å; E604-R724 PolarHBondContact OE2-NH2 2.94Å
605	D	84.4	Confident	85.5	Confident	39 Å²	39	36.2 Å²	36.2	21%	0.209	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-40.6	177.7	-77.8	-25	0	0	0	111.8	I601 V607 K608 E609	I601-D605 PolarHBondContact O-N 3.3Å; D605-V607 VanDerWaalsContact C-N 3.28Å; D605-V607 PolarHBondContact O-N 3Å; D605-K608 PolarHBondContact O-N 3.5Å; D605-K608 IonicContact OD1-NZ 3.59Å; D605-E609 WeakPolarHBondContact O-CB 3.34Å; D605-E609 PolarHBondContact O-N 2.99Å
606	A	86.8	Confident	86.8	Confident	34 Å²	34	35.5 Å²	35.5	28%	0.281	20%	0.198	S	C	.	.	H	α-helix	trans	-59.9	-37.9	174.3	0	0	0	0	0	112.2	P602 I603 E609 A610 V688	P602-A606 VanDerWaalsContact O-CB 3.31Å; P602-A606 WeakPolarHBondContact O-CB 3.3Å; P602-A606 PolarHBondContact O-N 3.44Å; I603-A606 PolarHBondContact O-N 2.86Å; A606-E609 PolarHBondContact O-N 3.39Å; A606-A610 VanDerWaalsContact O-CB 3.31Å; A606-A610 WeakPolarHBondContact O-CB 3.3Å; A606-A610 PolarHBondContact O-N 2.9Å; A606-V688 HydrophobicContact CB-CG1 3.94Å; A606-V688 HydrophobicContact CB-CG2 4.01Å; A606-V688 WeakPolarHBondContact O-CG2 3.3Å
607	V	94.1	Very high	88.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-43.6	175.2	169.6	0	0	0	0	111.7	I603 E604 D605 E609 A610 V611 I614 A617 M629 L631 I685 V688 I699	I603-V607 WeakPolarHBondContact O-CG2 3.16Å; I603-V607 PolarHBondContact O-N 3.47Å; E604-V607 PolarHBondContact O-N 3.27Å; D605-V607 VanDerWaalsContact C-N 3.28Å; D605-V607 PolarHBondContact O-N 3Å; V607-E609 VanDerWaalsContact C-N 3.29Å; V607-E609 PolarHBondContact O-N 3.2Å; V607-A610 PolarHBondContact O-N 3.48Å; V607-V611 PolarHBondContact O-N 2.94Å; V607-I614 HydrophobicContact CG1-CD1 3.57Å; V607-A617 HydrophobicContact CG1-CB 4.49Å; V607-M629 HydrophobicContact CB-SD 4.04Å; V607-M629 HydrophobicContact CG1-SD 3.84Å; V607-M629 HydrophobicContact CG2-CE 3.92Å; V607-M629 HydrophobicContact CG2-SD 3.84Å; V607-L631 HydrophobicContact CG1-CD2 4.1Å; V607-I685 HydrophobicContact CG1-CG1 4.41Å; V607-I685 HydrophobicContact CG2-CG1 4.39Å; V607-V688 HydrophobicContact CG2-CB 4.26Å; V607-V688 HydrophobicContact CG2-CG1 4.13Å; V607-V688 HydrophobicContact CG2-CG2 3.93Å; V607-I699 HydrophobicContact CG2-CD1 3.56Å
608	K	92.1	Very high	89.2	Confident	46 Å²	46	28 Å²	28	20%	0.2	16%	0.161	C	C	.	.	H	α-helix	trans	-61.8	-37.6	175.8	-73	169.3	62.3	-163.5	0	112.1	E396 E604 D605 V611 I614 A617	E396-K608 IonicContact OE1-NZ 3.93Å; E604-K608 WeakPolarHBondContact O-CG 3.32Å; E604-K608 PolarHBondContact O-N 3.09Å; D605-K608 PolarHBondContact O-N 3.5Å; D605-K608 IonicContact OD1-NZ 3.59Å; K608-V611 CarbonylContact O-C 3.52Å; K608-I614 HydrophobicContact CG-CG2 4.02Å; K608-A617 HydrophobicContact CD-CB 4.47Å; K608-A617 HydrophobicContact CG-CB 4.1Å
609	E	85.9	Confident	90.1	Very high	126 Å²	126	28 Å²	28	59%	0.589	16%	0.162	S	C	*	.	H	α-helix	trans	-67	-46.9	175	-173.9	177.2	173.1	0	0	111.4	D605 A606 V607 V611	D605-E609 WeakPolarHBondContact O-CB 3.34Å; D605-E609 PolarHBondContact O-N 2.99Å; A606-E609 PolarHBondContact O-N 3.39Å; V607-E609 VanDerWaalsContact C-N 3.29Å; V607-E609 PolarHBondContact O-N 3.2Å; E609-V611 VanDerWaalsContact C-N 3.27Å; E609-V611 PolarHBondContact O-N 3.01Å
610	A	90.9	Very high	90.7	Very high	24 Å²	24	27 Å²	27	20%	0.198	15%	0.154	C	C	.	.	H	α-helix	trans	-67.8	-25	-179.7	0	0	0	0	0	113.5	A606 V607 R687 V688	A606-A610 VanDerWaalsContact O-CB 3.31Å; A606-A610 WeakPolarHBondContact O-CB 3.3Å; A606-A610 PolarHBondContact O-N 2.9Å; V607-A610 PolarHBondContact O-N 3.48Å; A610-R687 PolarHBondContact O-NH2 3.47Å; A610-V688 HydrophobicContact CB-CG2 3.88Å
611	V	93.3	Very high	90.7	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.055	15%	0.153	C	C	.	.			trans	-134.7	84.4	-179	-167.6	0	0	0	0	110.8	V607 K608 E609 L613 I614 I681	V607-V611 PolarHBondContact O-N 2.94Å; K608-V611 CarbonylContact O-C 3.52Å; E609-V611 VanDerWaalsContact C-N 3.27Å; E609-V611 PolarHBondContact O-N 3.01Å; V611-L613 HydrophobicContact CG1-CB 4.41Å; V611-L613 PolarHBondContact O-N 2.89Å; V611-I614 HydrophobicContact CB-CD1 3.59Å; V611-I614 HydrophobicContact CB-CG1 4.03Å; V611-I614 HydrophobicContact CG1-CD1 3.92Å; V611-I614 HydrophobicContact CG1-CG1 3.94Å; V611-I614 HydrophobicContact CG2-CD1 4.2Å; V611-I614 WeakPolarHBondContact O-CB 2.88Å; V611-I614 PolarHBondContact O-N 3.37Å; V611-I681 HydrophobicContact CG1-CG1 3.91Å
612	P	89.3	Confident	90.8	Very high	71 Å²	71	28 Å²	28	46%	0.461	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.9	-173.2	-26.6	35.9	0	0	0	116.6	I614 K634 L655	P612-I614 VanDerWaalsContact C-N 3.31Å; P612-K634 VanDerWaalsContact O-CE 3.23Å; P612-K634 WeakPolarHBondContact O-CE 3.32Å; P612-K634 PolarHBondContact O-NZ 2.95Å; P612-L655 HydrophobicContact CB-CD1 4.15Å
613	L	92.9	Very high	90.9	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-22.7	174.7	-174.3	64.3	0	0	0	112.3	V611 I633 K634 A652 I669 V677	V611-L613 HydrophobicContact CG1-CB 4.41Å; V611-L613 PolarHBondContact O-N 2.89Å; L613-I633 HydrophobicContact CD1-CG2 4.02Å; L613-I633 HydrophobicContact CD2-CD1 4.27Å; L613-I633 HydrophobicContact CG-CD1 4.17Å; L613-I633 HydrophobicContact CG-CG2 3.99Å; L613-K634 PolarHBondContact O-N 2.96Å; L613-K634 VanDerWaalsContact O-N 3.1Å; L613-A652 HydrophobicContact CD1-CB 3.55Å; L613-I669 HydrophobicContact CD2-CD1 4.32Å; L613-V677 HydrophobicContact CD2-CG1 3.44Å; L613-V677 VanDerWaalsContact CD2-CG1 3.44Å; L613-V677 HydrophobicContact CD2-CG2 4.27Å
614	I	94.8	Very high	90.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	133	-178.4	-63.2	173.7	0	0	0	109.8	V607 K608 V611 P612 N616 A617 L631 T632 K634	V607-I614 HydrophobicContact CG1-CD1 3.57Å; K608-I614 HydrophobicContact CG-CG2 4.02Å; V611-I614 HydrophobicContact CB-CD1 3.59Å; V611-I614 HydrophobicContact CB-CG1 4.03Å; V611-I614 HydrophobicContact CG1-CD1 3.92Å; V611-I614 HydrophobicContact CG1-CG1 3.94Å; V611-I614 HydrophobicContact CG2-CD1 4.2Å; V611-I614 WeakPolarHBondContact O-CB 2.88Å; V611-I614 PolarHBondContact O-N 3.37Å; P612-I614 VanDerWaalsContact C-N 3.31Å; I614-N616 VanDerWaalsContact CG2-O 3.26Å; I614-N616 WeakPolarHBondContact CG2-O 3.46Å; I614-A617 HydrophobicContact CG2-CB 4.28Å; I614-L631 HydrophobicContact CD1-CD1 3.9Å; I614-L631 HydrophobicContact CD1-CD2 3.86Å; I614-L631 HydrophobicContact CD1-CG 4.37Å; I614-L631 HydrophobicContact CG2-CD2 4.19Å; I614-T632 CarbonylContact C-O 3.36Å; I614-T632 VanDerWaalsContact CA-O 3.32Å; I614-T632 WeakPolarHBondContact CA-O 3.49Å; I614-K634 WeakPolarHBondContact O-CE 3.46Å
615	S	91.4	Very high	90.5	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-56.1	173.6	-169.2	0	0	0	0	110.5	T632 D708	S615-T632 WeakPolarHBondContact CB-OG1 3.49Å; S615-T632 PolarHBondContact N-O 2.77Å; S615-D708 WeakPolarHBondContact CB-OD1 3.44Å; S615-D708 VanDerWaalsContact CB-OD2 3.22Å; S615-D708 WeakPolarHBondContact CB-OD2 3.42Å; S615-D708 PolarHBondContact OG-OD1 3.37Å; S615-D708 PolarHBondContact OG-OD2 3.1Å
616	N	93.3	Very high	90.8	Very high	34 Å²	34	43 Å²	43	18%	0.182	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.6	175.6	-66	-84	0	0	0	110.6	I614 L631 T632 D708 F709	I614-N616 VanDerWaalsContact CG2-O 3.26Å; I614-N616 WeakPolarHBondContact CG2-O 3.46Å; N616-L631 WeakPolarHBondContact O-CA 3.34Å; N616-T632 HydrophobicContact CB-CG2 4.36Å; N616-T632 WeakPolarHBondContact CB-OG1 3.48Å; N616-T632 PolarHBondContact N-OG1 3.38Å; N616-T632 PolarHBondContact O-N 2.98Å; N616-D708 PolarHBondContact ND2-OD1 2.83Å; N616-F709 HydrophobicContact CB-CD2 3.5Å; N616-F709 HydrophobicContact CB-CE2 3.84Å; N616-F709 HydrophobicContact CB-CG 4.25Å
617	A	95.3	Very high	91.1	Very high	7 Å²	7	41.4 Å²	41.4	6%	0.058	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.9	171	0	0	0	0	0	107.9	E604 V607 K608 I614 M629 L630 L631	E604-A617 HydrophobicContact CB-CB 4.16Å; E604-A617 HydrophobicContact CG-CB 4.42Å; E604-A617 WeakPolarHBondContact CG-O 3.45Å; V607-A617 HydrophobicContact CG1-CB 4.49Å; K608-A617 HydrophobicContact CD-CB 4.47Å; K608-A617 HydrophobicContact CG-CB 4.1Å; I614-A617 HydrophobicContact CG2-CB 4.28Å; A617-M629 HydrophobicContact CB-SD 3.91Å; A617-L630 CarbonylContact C-O 3.43Å; A617-L630 WeakPolarHBondContact CA-O 3.44Å; A617-L631 HydrophobicContact CB-CD2 3.73Å
618	M	95.8	Very high	91.3	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	111.9	174.5	-179.3	177.2	168.4	0	0	109.9	E604 I620 M629 L630 F709 L722 R724 V727 L728	E604-M618 WeakPolarHBondContact OE1-CA 3.29Å; M618-I620 HydrophobicContact CE-CG1 4.47Å; M618-M629 WeakPolarHBondContact O-CA 3.31Å; M618-M629 WeakPolarHBondContact O-CG 3.22Å; M618-L630 HydrophobicContact CB-CB 4.42Å; M618-L630 PolarHBondContact N-O 2.99Å; M618-L630 PolarHBondContact O-N 3.39Å; M618-F709 HydrophobicContact CB-CE2 4.39Å; M618-L722 HydrophobicContact CB-CD2 4.13Å; M618-L722 HydrophobicContact CG-CD2 3.98Å; M618-L722 HydrophobicContact SD-CD2 3.98Å; M618-R724 HydrophobicContact CE-CB 3.67Å; M618-R724 HydrophobicContact CE-CG 3.88Å; M618-R724 HydrophobicContact SD-CG 4.46Å; M618-V727 HydrophobicContact CE-CB 4.39Å; M618-V727 HydrophobicContact CE-CG1 4.41Å; M618-V727 HydrophobicContact SD-CB 3.74Å; M618-V727 HydrophobicContact SD-CG1 3.36Å; M618-V727 WeakPolarHBondContact SD-CG1 3.32Å; M618-L728 HydrophobicContact CE-CD2 3.84Å; M618-L728 HydrophobicContact CE-CG 3.8Å
619	L	96	Very high	91.5	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	139.1	173.7	-167	74	0	0	0	110.2	I590 I598 P600 I603 E604 L627 M629 I699	I590-L619 HydrophobicContact CD1-CB 4.31Å; I590-L619 HydrophobicContact CD1-CD2 3.84Å; I590-L619 HydrophobicContact CD1-CG 3.95Å; I598-L619 HydrophobicContact CG2-CD2 4.36Å; P600-L619 HydrophobicContact CB-CB 3.95Å; P600-L619 HydrophobicContact CB-CD2 3.97Å; I603-L619 HydrophobicContact CB-CD2 4.09Å; I603-L619 HydrophobicContact CD1-CD2 3.79Å; I603-L619 HydrophobicContact CG1-CD2 4.49Å; I603-L619 HydrophobicContact CG2-CD1 4.01Å; I603-L619 HydrophobicContact CG2-CD2 4.19Å; E604-L619 HydrophobicContact CG-CB 3.84Å; E604-L619 WeakPolarHBondContact OE1-CB 3.4Å; E604-L619 PolarHBondContact OE1-N 3.16Å; L619-L627 HydrophobicContact CD1-CB 4.1Å; L619-L627 HydrophobicContact CD1-CD1 4.15Å; L619-L627 HydrophobicContact CD2-CD1 4.04Å; L619-L627 HydrophobicContact CD2-CD2 4.36Å; L619-L627 HydrophobicContact CG-CD1 4.47Å; L619-L627 HydrophobicContact CG-CD2 4.43Å; L619-M629 HydrophobicContact CB-CE 4.1Å; L619-M629 HydrophobicContact CD1-CE 3.35Å; L619-M629 HydrophobicContact CG-CE 4.34Å; L619-I699 HydrophobicContact CD1-CG1 3.95Å
620	I	94.9	Very high	92.1	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.051	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.6	179.4	-60.6	157.1	0	0	0	108	M618 L627 T628 L630 L728 I735 Y739	M618-I620 HydrophobicContact CE-CG1 4.47Å; I620-L627 CarbonylContact O-C 3.54Å; I620-L627 WeakPolarHBondContact O-CA 3.31Å; I620-T628 PolarHBondContact N-O 3.17Å; I620-T628 PolarHBondContact O-N 2.83Å; I620-T628 PolarHBondContact O-OG1 3.35Å; I620-L630 HydrophobicContact CD1-CD1 3.97Å; I620-L630 HydrophobicContact CD1-CD2 4.15Å; I620-L630 HydrophobicContact CD1-CG 3.61Å; I620-L728 HydrophobicContact CD1-CD2 4.47Å; I620-L728 HydrophobicContact CG1-CD2 4.05Å; I620-L728 HydrophobicContact CG2-CD2 4.27Å; I620-I735 HydrophobicContact CD1-CD1 3.56Å; I620-I735 HydrophobicContact CD1-CG1 3.56Å; I620-I735 HydrophobicContact CD1-CG2 4.3Å; I620-I735 HydrophobicContact CG1-CD1 4.46Å; I620-I735 HydrophobicContact CG2-CG2 4.01Å; I620-Y739 PolarHBondContact O-OH 3.07Å
621	G	88.9	Confident	92.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.			trans	-173.8	3.5	174.1	0	0	0	0	0	115.1	K623 R624	G621-K623 PolarHBondContact O-N 2.89Å; G621-R624 WeakPolarHBondContact O-CB 3.47Å; G621-R624 PolarHBondContact O-N 3.11Å
622	D	85.6	Confident	92.6	Very high	75 Å²	75	31.7 Å²	31.7	40%	0.401	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	123.2	-175.9	-171.8	52.6	0	0	0	110.7	I591 R624	I591-D622 PolarHBondContact N-OD1 3.46Å; D622-R624 WeakPolarHBondContact O-CG 3.43Å; D622-R624 PolarHBondContact O-N 3.24Å; D622-R624 VanDerWaalsContact O-N 3.13Å
623	K	82.7	Confident	92.9	Very high	167 Å²	167	28.3 Å²	28.3	73%	0.726	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	23.8	-172.7	-55.2	174.3	-175.1	177.3	0	113.6	I591 G621	I591-K623 WeakPolarHBondContact O-CA 3Å; I591-K623 PolarHBondContact O-N 3.37Å; G621-K623 PolarHBondContact O-N 2.89Å
624	R	86.8	Confident	92.8	Very high	78 Å²	78	30.3 Å²	30.3	29%	0.294	14%	0.137	S	C	.	.	S	Bend	trans	-106.7	158.3	178.4	-59.2	-62.5	-173.7	153.2	6.1	111.6	A593 G621 D622 F626 D736 Y739	A593-R624 WeakPolarHBondContact CB-O 3.44Å; A593-R624 PolarHBondContact N-O 3.4Å; G621-R624 WeakPolarHBondContact O-CB 3.47Å; G621-R624 PolarHBondContact O-N 3.11Å; D622-R624 WeakPolarHBondContact O-CG 3.43Å; D622-R624 PolarHBondContact O-N 3.24Å; D622-R624 VanDerWaalsContact O-N 3.13Å; R624-F626 VanDerWaalsContact C-N 3.27Å; R624-F626 PolarHBondContact O-N 3.16Å; R624-D736 IonicContact CZ-OD1 3.94Å; R624-D736 IonicContact NH1-OD1 3.77Å; R624-D736 IonicContact NH2-OD1 2.62Å; R624-D736 PolarHBondContact NH2-OD1 2.88Å; R624-Y739 HydrophobicContact CB-CD1 4.22Å; R624-Y739 HydrophobicContact CB-CE1 3.51Å; R624-Y739 HydrophobicContact CB-CE2 4.44Å; R624-Y739 HydrophobicContact CG-CD1 4.45Å; R624-Y739 HydrophobicContact CG-CD2 4.44Å; R624-Y739 HydrophobicContact CG-CE1 3.88Å; R624-Y739 HydrophobicContact CG-CE2 3.89Å
625	K	85.4	Confident	92.8	Very high	157 Å²	157	30.6 Å²	30.6	68%	0.683	14%	0.139	S	C	*	.	S	Bend	trans	-67.1	-24.8	-178.1	-65.9	-177.5	-178.4	177.6	0	113.3	E741	K625-E741 IonicContact NZ-OE1 3.83Å; K625-E741 PolarHBondContact NZ-OE1 3.39Å; K625-E741 VanDerWaalsContact NZ-OE1 3.08Å
626	F	90.4	Very high	92.7	Very high	52 Å²	52	34.1 Å²	34.1	23%	0.228	16%	0.156	C	C	.	.	S	Bend	trans	-158.9	166.1	-178.6	50.9	-98.8	0	0	0	110.5	R624 T628 Q700 K701 Y739	R624-F626 VanDerWaalsContact C-N 3.27Å; R624-F626 PolarHBondContact O-N 3.16Å; F626-T628 HydrophobicContact CD2-CG2 3.7Å; F626-T628 HydrophobicContact CE2-CG2 3.5Å; F626-T628 VanDerWaalsContact CE2-CG2 3.5Å; F626-Q700 HydrophobicContact CB-CB 4.17Å; F626-Q700 HydrophobicContact CB-CG 3.57Å; F626-Q700 HydrophobicContact CD2-CB 3.63Å; F626-Q700 HydrophobicContact CD2-CG 4.03Å; F626-Q700 HydrophobicContact CE2-CB 4.26Å; F626-Q700 HydrophobicContact CG-CB 4.02Å; F626-Q700 HydrophobicContact CG-CG 3.9Å; F626-K701 HydrophobicContact CE2-CD 3.98Å; F626-K701 HydrophobicContact CE2-CG 4.09Å; F626-K701 HydrophobicContact CZ-CD 4.2Å; F626-Y739 HydrophobicContact CD2-CD1 4.44Å; F626-Y739 AromaticContact CD2-CE1 3.78Å; F626-Y739 HydrophobicContact CD2-CE1 3.78Å; F626-Y739 HydrophobicContact CE1-CD1 4.12Å; F626-Y739 HydrophobicContact CE1-CE1 4.34Å; F626-Y739 AromaticContact CE2-CD1 3.84Å; F626-Y739 HydrophobicContact CE2-CD1 3.84Å; F626-Y739 AromaticContact CE2-CE1 3.54Å; F626-Y739 HydrophobicContact CE2-CE1 3.54Å; F626-Y739 HydrophobicContact CG-CE1 4.3Å; F626-Y739 AromaticContact CZ-CD1 3.65Å; F626-Y739 HydrophobicContact CZ-CD1 3.65Å; F626-Y739 AromaticContact CZ-CE1 3.83Å; F626-Y739 HydrophobicContact CZ-CE1 3.83Å; F626-Y739 WeakPolarHBondContact O-CE1 3.4Å; F626-Y739 PolarHBondContact O-OH 3.26Å
627	L	94.1	Very high	92.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	143	177	-61.2	-179.3	0	0	0	112.7	I590 T592 I598 I603 L619 I620 A696 Q697 Q700	I590-L627 HydrophobicContact CD1-CD2 4.45Å; I590-L627 HydrophobicContact CG2-CD2 3.91Å; T592-L627 HydrophobicContact CG2-CD2 4.33Å; I598-L627 HydrophobicContact CD1-CD1 3.97Å; I598-L627 HydrophobicContact CD1-CD2 4.02Å; I598-L627 HydrophobicContact CD1-CG 4.22Å; I598-L627 HydrophobicContact CG2-CD1 4.28Å; I603-L627 HydrophobicContact CD1-CD1 4.24Å; L619-L627 HydrophobicContact CD1-CB 4.1Å; L619-L627 HydrophobicContact CD1-CD1 4.15Å; L619-L627 HydrophobicContact CD2-CD1 4.04Å; L619-L627 HydrophobicContact CD2-CD2 4.36Å; L619-L627 HydrophobicContact CG-CD1 4.47Å; L619-L627 HydrophobicContact CG-CD2 4.43Å; I620-L627 CarbonylContact O-C 3.54Å; I620-L627 WeakPolarHBondContact O-CA 3.31Å; L627-A696 WeakPolarHBondContact CD1-O 3.37Å; L627-A696 WeakPolarHBondContact CG-O 3.39Å; L627-Q697 WeakPolarHBondContact CD1-O 3.34Å; L627-Q700 PolarHBondContact O-N 3.36Å
628	T	97.1	Very high	91.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	163.7	175.5	59.9	0	0	0	0	110.9	I620 F626 K701 F738 Y739	I620-T628 PolarHBondContact N-O 3.17Å; I620-T628 PolarHBondContact O-N 2.83Å; I620-T628 PolarHBondContact O-OG1 3.35Å; F626-T628 HydrophobicContact CD2-CG2 3.7Å; F626-T628 HydrophobicContact CE2-CG2 3.5Å; F626-T628 VanDerWaalsContact CE2-CG2 3.5Å; T628-K701 CarbonylContact C-O 3.56Å; T628-K701 WeakPolarHBondContact CA-O 3.3Å; T628-K701 HydrophobicContact CG2-CB 4.03Å; T628-F738 HydrophobicContact CG2-CB 3.72Å; T628-F738 HydrophobicContact CG2-CD1 4.46Å; T628-F738 HydrophobicContact CG2-CD2 3.95Å; T628-F738 HydrophobicContact CG2-CG 3.83Å; T628-Y739 HydrophobicContact CG2-CE1 3.96Å; T628-Y739 HydrophobicContact CG2-CE2 4.08Å; T628-Y739 VanDerWaalsContact CG2-CZ 3.5Å; T628-Y739 WeakPolarHBondContact CG2-OH 3.48Å; T628-Y739 PolarHBondContact OG1-OH 3.38Å
629	M	97.4	Very high	90.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.8	-177	-161.2	167.5	-76.5	0	0	114	I603 V607 A617 M618 L619 L631 I699 K701 W702 I703	I603-M629 HydrophobicContact CG2-CE 4.07Å; V607-M629 HydrophobicContact CB-SD 4.04Å; V607-M629 HydrophobicContact CG1-SD 3.84Å; V607-M629 HydrophobicContact CG2-CE 3.92Å; V607-M629 HydrophobicContact CG2-SD 3.84Å; A617-M629 HydrophobicContact CB-SD 3.91Å; M618-M629 WeakPolarHBondContact O-CA 3.31Å; M618-M629 WeakPolarHBondContact O-CG 3.22Å; L619-M629 HydrophobicContact CB-CE 4.1Å; L619-M629 HydrophobicContact CD1-CE 3.35Å; L619-M629 HydrophobicContact CG-CE 4.34Å; M629-L631 HydrophobicContact CG-CD2 3.65Å; M629-L631 HydrophobicContact CG-CG 4.27Å; M629-L631 HydrophobicContact SD-CD2 3.56Å; M629-L631 VanDerWaalsContact SD-CD2 3.56Å; M629-I699 HydrophobicContact CB-CG2 4.15Å; M629-I699 HydrophobicContact CE-CD1 3.44Å; M629-I699 VanDerWaalsContact CE-CD1 3.44Å; M629-I699 HydrophobicContact CE-CG1 3.97Å; M629-I699 HydrophobicContact SD-CD1 4.3Å; M629-K701 PolarHBondContact N-O 3.05Å; M629-W702 HydrophobicContact CB-CB 4.02Å; M629-W702 CarbonylContact O-C 3.58Å; M629-W702 WeakPolarHBondContact O-CA 3.38Å; M629-I703 PolarHBondContact O-N 3.48Å
630	L	97.4	Very high	89	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.6	162.9	-55.5	-179.5	0	0	0	108.8	A617 M618 I620 I703 L705 V727 Y731 I735 F738	A617-L630 CarbonylContact C-O 3.43Å; A617-L630 WeakPolarHBondContact CA-O 3.44Å; M618-L630 HydrophobicContact CB-CB 4.42Å; M618-L630 PolarHBondContact N-O 2.99Å; M618-L630 PolarHBondContact O-N 3.39Å; I620-L630 HydrophobicContact CD1-CD1 3.97Å; I620-L630 HydrophobicContact CD1-CD2 4.15Å; I620-L630 HydrophobicContact CD1-CG 3.61Å; L630-I703 HydrophobicContact CD2-CG2 3.53Å; L630-L705 HydrophobicContact CB-CD1 4.1Å; L630-L705 HydrophobicContact CB-CG 4.45Å; L630-L705 HydrophobicContact CD1-CD1 4.37Å; L630-L705 HydrophobicContact CD2-CD2 4.3Å; L630-V727 HydrophobicContact CD1-CG1 4.08Å; L630-Y731 HydrophobicContact CD1-CD2 4.03Å; L630-Y731 HydrophobicContact CD1-CG 4.09Å; L630-I735 HydrophobicContact CD1-CD1 4.25Å; L630-I735 HydrophobicContact CD1-CG1 4.34Å; L630-I735 HydrophobicContact CD2-CG1 4.24Å; L630-F738 HydrophobicContact CD2-CE2 4.11Å
631	L	97.7	Very high	88	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.9	179.5	-59.1	178.7	0	0	0	109.8	V607 I614 N616 A617 M629 I681 I685 W702 I703 V704 L705	V607-L631 HydrophobicContact CG1-CD2 4.1Å; I614-L631 HydrophobicContact CD1-CD1 3.9Å; I614-L631 HydrophobicContact CD1-CD2 3.86Å; I614-L631 HydrophobicContact CD1-CG 4.37Å; I614-L631 HydrophobicContact CG2-CD2 4.19Å; N616-L631 WeakPolarHBondContact O-CA 3.34Å; A617-L631 HydrophobicContact CB-CD2 3.73Å; M629-L631 HydrophobicContact CG-CD2 3.65Å; M629-L631 HydrophobicContact CG-CG 4.27Å; M629-L631 HydrophobicContact SD-CD2 3.56Å; M629-L631 VanDerWaalsContact SD-CD2 3.56Å; L631-I681 HydrophobicContact CD1-CG2 3.52Å; L631-I685 HydrophobicContact CD1-CD1 4.34Å; L631-W702 HydrophobicContact CD1-CB 4.38Å; L631-W702 HydrophobicContact CD1-CD2 4.24Å; L631-W702 HydrophobicContact CD1-CE3 3.81Å; L631-W702 HydrophobicContact CD1-CZ3 4.46Å; L631-I703 WeakPolarHBondContact CB-O 3.27Å; L631-I703 PolarHBondContact N-O 3.31Å; L631-V704 HydrophobicContact CB-CG2 4.17Å; L631-V704 CarbonylContact O-C 3.57Å; L631-V704 WeakPolarHBondContact O-CA 3.28Å; L631-L705 PolarHBondContact O-N 2.96Å
632	T	96.5	Very high	87.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	159.5	169.1	69.8	0	0	0	0	110.2	I614 S615 N616 L705 R707 D708 F709	I614-T632 CarbonylContact C-O 3.36Å; I614-T632 VanDerWaalsContact CA-O 3.32Å; I614-T632 WeakPolarHBondContact CA-O 3.49Å; S615-T632 WeakPolarHBondContact CB-OG1 3.49Å; S615-T632 PolarHBondContact N-O 2.77Å; N616-T632 HydrophobicContact CB-CG2 4.36Å; N616-T632 WeakPolarHBondContact CB-OG1 3.48Å; N616-T632 PolarHBondContact N-OG1 3.38Å; N616-T632 PolarHBondContact O-N 2.98Å; T632-L705 HydrophobicContact CG2-CB 4.33Å; T632-L705 HydrophobicContact CG2-CD1 4.08Å; T632-R707 WeakPolarHBondContact CG2-O 3.44Å; T632-D708 WeakPolarHBondContact CB-OD1 3.46Å; T632-D708 PolarHBondContact OG1-OD1 3.05Å; T632-F709 HydrophobicContact CG2-CD1 3.87Å; T632-F709 HydrophobicContact CG2-CE1 3.82Å; T632-F709 HydrophobicContact CG2-CG 4.29Å; T632-F709 HydrophobicContact CG2-CZ 4.18Å
633	I	95.7	Very high	87.1	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	144.1	-176.9	-56.5	-60.7	0	0	0	110	L613 C635 L648 V666 I669 V704	L613-I633 HydrophobicContact CD1-CG2 4.02Å; L613-I633 HydrophobicContact CD2-CD1 4.27Å; L613-I633 HydrophobicContact CG-CD1 4.17Å; L613-I633 HydrophobicContact CG-CG2 3.99Å; I633-C635 PolarHBondContact O-N 2.97Å; I633-C635 VanDerWaalsContact O-N 3.14Å; I633-L648 HydrophobicContact CB-CD2 4.43Å; I633-L648 HydrophobicContact CG2-CD2 3.45Å; I633-L648 VanDerWaalsContact CG2-CD2 3.45Å; I633-V666 HydrophobicContact CB-CG1 4.46Å; I633-V666 HydrophobicContact CB-CG2 4.36Å; I633-I669 HydrophobicContact CD1-CG2 4.31Å; I633-I669 HydrophobicContact CG1-CD1 4.49Å; I633-I669 HydrophobicContact CG1-CG2 4.24Å; I633-I669 HydrophobicContact CG2-CD1 4.1Å; I633-V704 HydrophobicContact CD1-CG1 3.97Å; I633-V704 HydrophobicContact CD1-CG2 4.3Å; I633-V704 HydrophobicContact CG1-CG1 3.55Å
634	K	92.6	Very high	87.4	Confident	46 Å²	46	47.3 Å²	47.3	20%	0.2	25%	0.247	C	C	.	.			trans	-62.6	113.8	175.7	-66.6	-176.7	-175	-165.2	0	111.2	E400 P612 L613 I614 T649 A652	E400-K634 WeakPolarHBondContact OE1-CE 3.39Å; E400-K634 IonicContact OE1-NZ 2.83Å; E400-K634 PolarHBondContact OE1-NZ 3.41Å; P612-K634 VanDerWaalsContact O-CE 3.23Å; P612-K634 WeakPolarHBondContact O-CE 3.32Å; P612-K634 PolarHBondContact O-NZ 2.95Å; L613-K634 PolarHBondContact O-N 2.96Å; L613-K634 VanDerWaalsContact O-N 3.1Å; I614-K634 WeakPolarHBondContact O-CE 3.46Å; K634-T649 HydrophobicContact CB-CG2 4.31Å; K634-T649 PolarHBondContact O-N 3.45Å; K634-A652 HydrophobicContact CB-CB 4.2Å; K634-A652 WeakPolarHBondContact O-CB 3.43Å
635	C	92.8	Very high	87.7	Confident	8 Å²	8	47.2 Å²	47.2	5%	0.054	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	167.4	180	65.8	0	0	0	0	112.1	I633 P644 E645 E647 T649 V666	I633-C635 PolarHBondContact O-N 2.97Å; I633-C635 VanDerWaalsContact O-N 3.14Å; C635-P644 WeakPolarHBondContact SG-CB 3.3Å; C635-E645 WeakPolarHBondContact CB-O 3.39Å; C635-E645 PolarHBondContact SG-O 2.92Å; C635-E647 CarbonylContact C-O 3.53Å; C635-E647 WeakPolarHBondContact CA-O 3.4Å; C635-E647 WeakPolarHBondContact CB-O 3.3Å; C635-T649 VanDerWaalsContact C-CG2 3.49Å; C635-T649 VanDerWaalsContact O-CG2 3.27Å; C635-T649 WeakPolarHBondContact O-CG2 3.27Å; C635-V666 HydrophobicContact CB-CG2 3.65Å
636	Q	89.8	Confident	88.2	Confident	77 Å²	77	42.1 Å²	42.1	36%	0.36	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	155.4	169.7	-66.2	-169.8	66.2	0	0	109.7	E645 E647	Q636-E645 HydrophobicContact CB-CB 4.39Å; Q636-E645 PolarHBondContact O-N 3.41Å; Q636-E647 HydrophobicContact CG-CB 4.35Å; Q636-E647 PolarHBondContact N-O 3.16Å; Q636-E647 PolarHBondContact NE2-OE2 3.34Å
637	V	84.4	Confident	88.4	Confident	68 Å²	68	43.6 Å²	43.6	41%	0.412	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.5	-178.8	178.9	0	0	0	0	107.5	V639 G642 D643	V637-V639 PolarHBondContact O-N 3.3Å; V637-G642 VanDerWaalsContact CG1-C 3.45Å; V637-G642 WeakPolarHBondContact CG1-O 3.39Å; V637-D643 CarbonylContact C-O 3.51Å; V637-D643 WeakPolarHBondContact CA-O 3.29Å
638	N	82.7	Confident	88.4	Confident	50 Å²	50	43.9 Å²	43.9	27%	0.267	24%	0.239	S	C	.	.			trans	-61	123.6	176.6	-171.2	-78.3	0	0	0	109.8	E640 T641 G642 D643 E645	N638-E640 VanDerWaalsContact C-N 3.28Å; N638-E640 PolarHBondContact O-N 2.98Å; N638-E640 WeakPolarHBondContact OD1-CB 3.36Å; N638-E640 PolarHBondContact OD1-N 2.87Å; N638-T641 PolarHBondContact OD1-N 3.35Å; N638-G642 VanDerWaalsContact O-CA 3.24Å; N638-G642 WeakPolarHBondContact O-CA 3.38Å; N638-G642 PolarHBondContact O-N 2.95Å; N638-D643 PolarHBondContact N-O 2.91Å; N638-E645 WeakPolarHBondContact CA-OE1 3.4Å; N638-E645 HydrophobicContact CB-CG 4.23Å; N638-E645 WeakPolarHBondContact CB-OE1 3.5Å; N638-E645 PolarHBondContact ND2-OE1 3.21Å
639	V	69.9	Low	88	Confident	96 Å²	96	45 Å²	45	58%	0.582	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-28.9	-174	-175.9	0	0	0	0	111.4	K373 V637	K373-V639 HydrophobicContact CB-CG1 4.16Å; K373-V639 WeakPolarHBondContact CD-O 2.91Å; K373-V639 WeakPolarHBondContact CE-O 3.16Å; K373-V639 PolarHBondContact NZ-O 3.37Å; V637-V639 PolarHBondContact O-N 3.3Å
640	E	66.3	Low	87.5	Confident	164 Å²	164	49.5 Å²	49.5	77%	0.766	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-49.3	-178.1	-63.6	-171.5	172.6	0	0	111.8	K373 N638	K373-E640 PolarHBondContact NZ-O 2.47Å; N638-E640 VanDerWaalsContact C-N 3.28Å; N638-E640 PolarHBondContact O-N 2.98Å; N638-E640 WeakPolarHBondContact OD1-CB 3.36Å; N638-E640 PolarHBondContact OD1-N 2.87Å
641	T	74.1	Confident	86.9	Confident	85 Å²	85	52.5 Å²	52.5	52%	0.521	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-25.7	-174	74.2	0	0	0	0	113.2	N638 D643	N638-T641 PolarHBondContact OD1-N 3.35Å; T641-D643 VanDerWaalsContact C-N 3.27Å; T641-D643 VanDerWaalsContact CB-OD2 3.27Å; T641-D643 WeakPolarHBondContact CB-OD2 3.46Å; T641-D643 WeakPolarHBondContact OG1-CB 3.36Å; T641-D643 PolarHBondContact OG1-N 2.88Å; T641-D643 PolarHBondContact OG1-OD2 2.92Å
642	G	70.9	Confident	86.6	Confident	36 Å²	36	52.5 Å²	52.5	37%	0.371	29%	0.289	S	S	.	.			trans	79.1	10.1	-171.7	0	0	0	0	0	113.7	V637 N638	V637-G642 VanDerWaalsContact CG1-C 3.45Å; V637-G642 WeakPolarHBondContact CG1-O 3.39Å; N638-G642 VanDerWaalsContact O-CA 3.24Å; N638-G642 WeakPolarHBondContact O-CA 3.38Å; N638-G642 PolarHBondContact O-N 2.95Å
643	D	84.8	Confident	86.4	Confident	53 Å²	53	53.4 Å²	53.4	28%	0.283	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-88	146.4	-179.2	-64	-46.7	0	0	0	112.6	V637 N638 T641 S710	V637-D643 CarbonylContact C-O 3.51Å; V637-D643 WeakPolarHBondContact CA-O 3.29Å; N638-D643 PolarHBondContact N-O 2.91Å; T641-D643 VanDerWaalsContact C-N 3.27Å; T641-D643 VanDerWaalsContact CB-OD2 3.27Å; T641-D643 WeakPolarHBondContact CB-OD2 3.46Å; T641-D643 WeakPolarHBondContact OG1-CB 3.36Å; T641-D643 PolarHBondContact OG1-N 2.88Å; T641-D643 PolarHBondContact OG1-OD2 2.92Å; D643-S710 PolarHBondContact OD1-OG 3.36Å; D643-S710 VanDerWaalsContact OD1-OG 3.09Å
644	P	89.6	Confident	86.1	Confident	23 Å²	23	57.2 Å²	57.2	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	138.5	177.4	26.6	-32.7	0	0	0	111.5	C635 D708 S710	C635-P644 WeakPolarHBondContact SG-CB 3.3Å; P644-D708 HydrophobicContact CB-CB 3.73Å; P644-D708 HydrophobicContact CG-CB 4.1Å; P644-D708 WeakPolarHBondContact CG-O 3.46Å; P644-S710 VanDerWaalsContact CD-CB 3.41Å
645	E	92.3	Very high	86	Confident	75 Å²	75	57.6 Å²	57.6	35%	0.35	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	167.2	175	-61.6	-174.1	167.4	0	0	110.5	C635 Q636 N638 E647	C635-E645 WeakPolarHBondContact CB-O 3.39Å; C635-E645 PolarHBondContact SG-O 2.92Å; Q636-E645 HydrophobicContact CB-CB 4.39Å; Q636-E645 PolarHBondContact O-N 3.41Å; N638-E645 WeakPolarHBondContact CA-OE1 3.4Å; N638-E645 HydrophobicContact CB-CG 4.23Å; N638-E645 WeakPolarHBondContact CB-OE1 3.5Å; N638-E645 PolarHBondContact ND2-OE1 3.21Å; E645-E647 VanDerWaalsContact C-N 3.35Å
646	D	94.9	Very high	86	Confident	51 Å²	51	57.2 Å²	57.2	27%	0.273	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-24.3	-179.5	180	48.7	0	0	0	112.5	R665 V666 S667	D646-R665 CarbonylContact O-C 3.09Å; D646-R665 WeakPolarHBondContact O-CA 3.23Å; D646-R665 WeakPolarHBondContact OD2-CB 3.49Å; D646-R665 VanDerWaalsContact OD2-CD 3.31Å; D646-R665 WeakPolarHBondContact OD2-CD 3.35Å; D646-R665 WeakPolarHBondContact OD2-CG 3.5Å; D646-R665 IonicContact OD2-CZ 3.35Å; D646-R665 IonicContact OD2-NE 2.87Å; D646-R665 IonicContact OD2-NH1 2.7Å; D646-R665 PolarHBondContact OD2-NH1 3.21Å; D646-V666 PolarHBondContact O-N 3.01Å; D646-V666 PolarHBondContact OD1-N 3.33Å; D646-S667 WeakPolarHBondContact OD1-CB 3.46Å; D646-S667 PolarHBondContact OD1-N 2.7Å; D646-S667 PolarHBondContact OD1-OG 2.99Å; D646-S667 PolarHBondContact OD2-OG 3.11Å
647	E	95.1	Very high	86.2	Confident	83 Å²	83	60.7 Å²	60.7	39%	0.388	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133.5	-179.4	-62.5	-169	170.7	0	0	111.8	C635 Q636 E645 R665	C635-E647 CarbonylContact C-O 3.53Å; C635-E647 WeakPolarHBondContact CA-O 3.4Å; C635-E647 WeakPolarHBondContact CB-O 3.3Å; Q636-E647 HydrophobicContact CG-CB 4.35Å; Q636-E647 PolarHBondContact N-O 3.16Å; Q636-E647 PolarHBondContact NE2-OE2 3.34Å; E645-E647 VanDerWaalsContact C-N 3.35Å; E647-R665 IonicContact OE1-NH2 3.72Å
648	L	94	Very high	86.6	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.026	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	153.2	176.9	-64.5	-178.6	0	0	0	111.6	I633 A652 V653 A663 T664 V666 I669	I633-L648 HydrophobicContact CB-CD2 4.43Å; I633-L648 HydrophobicContact CG2-CD2 3.45Å; I633-L648 VanDerWaalsContact CG2-CD2 3.45Å; L648-A652 HydrophobicContact CB-CB 4.05Å; L648-V653 HydrophobicContact CB-CG2 3.68Å; L648-V653 HydrophobicContact CD1-CG2 4.42Å; L648-A663 HydrophobicContact CD1-CB 4.22Å; L648-T664 WeakPolarHBondContact CB-O 3.5Å; L648-T664 WeakPolarHBondContact CG-O 3.48Å; L648-T664 PolarHBondContact N-O 3.39Å; L648-V666 HydrophobicContact CD2-CG2 3.75Å; L648-I669 HydrophobicContact CD1-CD1 3.85Å; L648-I669 HydrophobicContact CD2-CD1 4.31Å
649	T	89.4	Confident	87	Confident	25 Å²	25	65.8 Å²	65.8	15%	0.153	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-65.6	154	169.2	78.4	0	0	0	0	110.4	K634 C635 E651 A652 V653	K634-T649 HydrophobicContact CB-CG2 4.31Å; K634-T649 PolarHBondContact O-N 3.45Å; C635-T649 VanDerWaalsContact C-CG2 3.49Å; C635-T649 VanDerWaalsContact O-CG2 3.27Å; C635-T649 WeakPolarHBondContact O-CG2 3.27Å; T649-E651 WeakPolarHBondContact CB-OE2 3.41Å; T649-E651 PolarHBondContact O-N 3.05Å; T649-E651 VanDerWaalsContact O-N 3.14Å; T649-E651 PolarHBondContact OG1-OE2 3.09Å; T649-A652 WeakPolarHBondContact O-CB 3.27Å; T649-A652 PolarHBondContact O-N 3.41Å; T649-A652 PolarHBondContact OG1-N 3.4Å; T649-V653 WeakPolarHBondContact O-CG2 3.47Å; T649-V653 PolarHBondContact O-N 3.36Å
650	P	86.6	Confident	88	Confident	93 Å²	93	64.3 Å²	64.3	60%	0.604	34%	0.344	S	S	*	.	H	α-helix	trans	-54.3	-34.9	176.5	-27.8	36.1	0	0	0	113.6	E654	P650-E654 PolarHBondContact O-N 3.49Å; P650-E654 VanDerWaalsContact O-N 3.13Å
651	E	84.5	Confident	89.4	Confident	63 Å²	63	56.8 Å²	56.8	29%	0.294	31%	0.31	S	S	.	.	H	α-helix	trans	-68	-42.4	175.8	-57.3	75.5	-157.4	0	0	111.8	S404 T649 E654 L655	S404-E651 WeakPolarHBondContact CB-OE1 3.29Å; S404-E651 PolarHBondContact OG-OE1 2.82Å; T649-E651 WeakPolarHBondContact CB-OE2 3.41Å; T649-E651 PolarHBondContact O-N 3.05Å; T649-E651 VanDerWaalsContact O-N 3.14Å; T649-E651 PolarHBondContact OG1-OE2 3.09Å; E651-E654 PolarHBondContact O-N 3.23Å; E651-L655 WeakPolarHBondContact O-CG 3.13Å; E651-L655 PolarHBondContact O-N 2.74Å
652	A	90.8	Very high	90.3	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-42.1	176.5	0	0	0	0	0	111.7	L613 K634 L648 T649 E654 L655 C656	L613-A652 HydrophobicContact CD1-CB 3.55Å; K634-A652 HydrophobicContact CB-CB 4.2Å; K634-A652 WeakPolarHBondContact O-CB 3.43Å; L648-A652 HydrophobicContact CB-CB 4.05Å; T649-A652 WeakPolarHBondContact O-CB 3.27Å; T649-A652 PolarHBondContact O-N 3.41Å; T649-A652 PolarHBondContact OG1-N 3.4Å; A652-E654 VanDerWaalsContact C-N 3.34Å; A652-E654 PolarHBondContact O-N 2.91Å; A652-L655 PolarHBondContact O-N 2.84Å; A652-C656 PolarHBondContact O-N 2.6Å; A652-C656 PolarHBondContact O-SG 3.45Å
653	V	93.2	Very high	91.5	Very high	18 Å²	18	60.6 Å²	60.6	11%	0.109	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-44.4	174	176.3	0	0	0	0	111.3	L648 T649 C656 R657 T664	L648-V653 HydrophobicContact CB-CG2 3.68Å; L648-V653 HydrophobicContact CD1-CG2 4.42Å; T649-V653 WeakPolarHBondContact O-CG2 3.47Å; T649-V653 PolarHBondContact O-N 3.36Å; V653-C656 WeakPolarHBondContact O-CB 3.46Å; V653-C656 PolarHBondContact O-N 3.19Å; V653-R657 WeakPolarHBondContact O-CG 3.26Å; V653-R657 PolarHBondContact O-N 3.42Å; V653-T664 HydrophobicContact CG1-CG2 4.31Å
654	E	90	Very high	91.9	Very high	82 Å²	82	61.4 Å²	61.4	38%	0.383	32%	0.317	S	S	.	.	H	α-helix	trans	-66.6	-38.2	179.2	-178	57.8	-158.9	0	0	112.3	P650 E651 A652 R657 K658	P650-E654 PolarHBondContact O-N 3.49Å; P650-E654 VanDerWaalsContact O-N 3.13Å; E651-E654 PolarHBondContact O-N 3.23Å; A652-E654 VanDerWaalsContact C-N 3.34Å; A652-E654 PolarHBondContact O-N 2.91Å; E654-R657 PolarHBondContact O-N 2.96Å; E654-R657 IonicContact OE2-NH1 3.56Å; E654-K658 WeakPolarHBondContact O-CG 3.27Å; E654-K658 PolarHBondContact O-N 3.38Å; E654-K658 VanDerWaalsContact O-N 3.1Å; E654-K658 WeakPolarHBondContact OE1-CE 3.43Å
655	L	90.4	Very high	92.2	Very high	53 Å²	53	65 Å²	65	28%	0.277	33%	0.328	S	S	.	.	H	α-helix	trans	-62.4	-45.3	171.9	-72.6	171.4	0	0	0	111.2	P612 E651 A652 R657 K658 L659	P612-L655 HydrophobicContact CB-CD1 4.15Å; E651-L655 WeakPolarHBondContact O-CG 3.13Å; E651-L655 PolarHBondContact O-N 2.74Å; A652-L655 PolarHBondContact O-N 2.84Å; L655-R657 VanDerWaalsContact C-N 3.32Å; L655-R657 PolarHBondContact O-N 3.26Å; L655-K658 PolarHBondContact O-N 2.85Å; L655-L659 WeakPolarHBondContact O-CG 3.3Å; L655-L659 PolarHBondContact O-N 2.97Å; L655-L659 VanDerWaalsContact O-N 3.1Å
656	C	93.3	Very high	92.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-56.7	-46.4	175.8	-67.8	0	0	0	0	111.2	A652 V653 K658 L659 G660 S661 A663	A652-C656 PolarHBondContact O-N 2.6Å; A652-C656 PolarHBondContact O-SG 3.45Å; V653-C656 WeakPolarHBondContact O-CB 3.46Å; V653-C656 PolarHBondContact O-N 3.19Å; C656-K658 VanDerWaalsContact C-N 3.34Å; C656-K658 PolarHBondContact O-N 3.47Å; C656-L659 CarbonylContact O-C 3.53Å; C656-L659 WeakPolarHBondContact O-CA 3.41Å; C656-L659 WeakPolarHBondContact O-CB 3.35Å; C656-L659 PolarHBondContact O-N 3.43Å; C656-G660 PolarHBondContact O-N 3.35Å; C656-S661 CarbonylContact C-O 3.57Å; C656-S661 WeakPolarHBondContact O-CA 3.24Å; C656-S661 VanDerWaalsContact O-CB 3.3Å; C656-S661 WeakPolarHBondContact O-CB 3.25Å; C656-S661 PolarHBondContact O-N 3.01Å; C656-A663 HydrophobicContact CB-CB 4.43Å
657	R	93.3	Very high	92.3	Very high	151 Å²	151	60.8 Å²	60.8	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-58.9	-41.6	176.6	-72.4	179.3	-172.8	148.7	1	113.4	V653 E654 L655 L659 G660 S661	V653-R657 WeakPolarHBondContact O-CG 3.26Å; V653-R657 PolarHBondContact O-N 3.42Å; E654-R657 PolarHBondContact O-N 2.96Å; E654-R657 IonicContact OE2-NH1 3.56Å; L655-R657 VanDerWaalsContact C-N 3.32Å; L655-R657 PolarHBondContact O-N 3.26Å; R657-L659 PolarHBondContact O-N 2.87Å; R657-G660 PolarHBondContact O-N 2.74Å; R657-S661 WeakPolarHBondContact CA-O 3.49Å
658	K	91.6	Very high	92.2	Very high	149 Å²	149	59.6 Å²	59.6	65%	0.648	31%	0.306	S	S	*	.	H	α-helix	trans	-63.9	-30	176.5	-73.1	173.4	-177.5	173	0	112.8	E654 L655 C656 G660	E654-K658 WeakPolarHBondContact O-CG 3.27Å; E654-K658 PolarHBondContact O-N 3.38Å; E654-K658 VanDerWaalsContact O-N 3.1Å; E654-K658 WeakPolarHBondContact OE1-CE 3.43Å; L655-K658 PolarHBondContact O-N 2.85Å; C656-K658 VanDerWaalsContact C-N 3.34Å; C656-K658 PolarHBondContact O-N 3.47Å; K658-G660 PolarHBondContact O-N 2.8Å
659	L	91.5	Very high	92.2	Very high	76 Å²	76	59.6 Å²	59.6	40%	0.398	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.6	173.6	-61.5	172.7	0	0	0	112.6	L655 C656 R657 A676 A680	L655-L659 WeakPolarHBondContact O-CG 3.3Å; L655-L659 PolarHBondContact O-N 2.97Å; L655-L659 VanDerWaalsContact O-N 3.1Å; C656-L659 CarbonylContact O-C 3.53Å; C656-L659 WeakPolarHBondContact O-CA 3.41Å; C656-L659 WeakPolarHBondContact O-CB 3.35Å; C656-L659 PolarHBondContact O-N 3.43Å; R657-L659 PolarHBondContact O-N 2.87Å; L659-A676 WeakPolarHBondContact O-CB 3.41Å; L659-A680 HydrophobicContact CD1-CB 3.67Å; L659-A680 HydrophobicContact CD2-CB 3.72Å; L659-A680 HydrophobicContact CG-CB 4.25Å
660	G	92.3	Very high	92.2	Very high	64 Å²	64	58.4 Å²	58.4	66%	0.66	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	10.6	-176.3	0	0	0	0	0	114.4	C656 R657 K658	C656-G660 PolarHBondContact O-N 3.35Å; R657-G660 PolarHBondContact O-N 2.74Å; K658-G660 PolarHBondContact O-N 2.8Å
661	S	94.4	Very high	92	Very high	6 Å²	6	57 Å²	57	4%	0.042	30%	0.302	C	S	.	.			trans	-88.8	151.3	176.7	160.6	0	0	0	0	112.3	C656 R657 A663 D674	C656-S661 CarbonylContact C-O 3.57Å; C656-S661 WeakPolarHBondContact O-CA 3.24Å; C656-S661 VanDerWaalsContact O-CB 3.3Å; C656-S661 WeakPolarHBondContact O-CB 3.25Å; C656-S661 PolarHBondContact O-N 3.01Å; R657-S661 WeakPolarHBondContact CA-O 3.49Å; S661-A663 VanDerWaalsContact OG-CB 3.27Å; S661-A663 WeakPolarHBondContact OG-CB 3.13Å; S661-A663 PolarHBondContact OG-N 3.08Å; S661-D674 WeakPolarHBondContact CB-OD2 3.45Å; S661-D674 PolarHBondContact OG-OD2 3.39Å
662	K	94.4	Very high	91.7	Very high	198 Å²	198	55.8 Å²	55.8	86%	0.861	31%	0.306	S	S	*	.			trans	-105.6	9	172.1	-63.2	-177.9	-177.4	177	0	112.8	T664	K662-T664 PolarHBondContact O-N 3.19Å
663	A	94.3	Very high	91.4	Very high	4 Å²	4	63.2 Å²	63.2	3%	0.033	33%	0.334	C	S	.	.			trans	-58.8	132	-177.5	0	0	0	0	0	111	L648 C656 S661 D668 I669	L648-A663 HydrophobicContact CD1-CB 4.22Å; C656-A663 HydrophobicContact CB-CB 4.43Å; S661-A663 VanDerWaalsContact OG-CB 3.27Å; S661-A663 WeakPolarHBondContact OG-CB 3.13Å; S661-A663 PolarHBondContact OG-N 3.08Å; A663-D668 HydrophobicContact CB-CB 3.76Å; A663-I669 HydrophobicContact CB-CD1 3.96Å; A663-I669 HydrophobicContact CB-CG1 3.68Å
664	T	95.1	Very high	91.4	Very high	70 Å²	70	63.4 Å²	63.4	43%	0.429	33%	0.334	S	S	.	.			trans	-123	-7.9	170.9	57.7	0	0	0	0	112	L648 V653 K662 D668	L648-T664 WeakPolarHBondContact CB-O 3.5Å; L648-T664 WeakPolarHBondContact CG-O 3.48Å; L648-T664 PolarHBondContact N-O 3.39Å; V653-T664 HydrophobicContact CG1-CG2 4.31Å; K662-T664 PolarHBondContact O-N 3.19Å; T664-D668 PolarHBondContact N-OD2 3.28Å
665	R	95.9	Very high	91.5	Very high	99 Å²	99	70 Å²	70	37%	0.374	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-126.8	155	178.4	-68.5	166.1	174.5	-91	-8.4	112	D646 E647 S667 D668	D646-R665 CarbonylContact O-C 3.09Å; D646-R665 WeakPolarHBondContact O-CA 3.23Å; D646-R665 WeakPolarHBondContact OD2-CB 3.49Å; D646-R665 VanDerWaalsContact OD2-CD 3.31Å; D646-R665 WeakPolarHBondContact OD2-CD 3.35Å; D646-R665 WeakPolarHBondContact OD2-CG 3.5Å; D646-R665 IonicContact OD2-CZ 3.35Å; D646-R665 IonicContact OD2-NE 2.87Å; D646-R665 IonicContact OD2-NH1 2.7Å; D646-R665 PolarHBondContact OD2-NH1 3.21Å; E647-R665 IonicContact OE1-NH2 3.72Å; R665-S667 WeakPolarHBondContact CB-OG 3.48Å; R665-S667 PolarHBondContact O-N 3.3Å; R665-D668 PolarHBondContact N-OD2 2.9Å; R665-D668 WeakPolarHBondContact O-CB 3.38Å; R665-D668 PolarHBondContact O-N 3.35Å; R665-D668 VanDerWaalsContact O-N 3.14Å
666	V	94.4	Very high	91.7	Very high	1 Å²	1	69 Å²	69	1%	0.006	36%	0.355	C	S	.	.	H	α-helix	trans	-61.3	-39.2	171.5	-179.1	0	0	0	0	109.6	I633 C635 D646 L648 D668 I669 A670 E706	I633-V666 HydrophobicContact CB-CG1 4.46Å; I633-V666 HydrophobicContact CB-CG2 4.36Å; C635-V666 HydrophobicContact CB-CG2 3.65Å; D646-V666 PolarHBondContact O-N 3.01Å; D646-V666 PolarHBondContact OD1-N 3.33Å; L648-V666 HydrophobicContact CD2-CG2 3.75Å; V666-D668 PolarHBondContact O-N 3.45Å; V666-D668 VanDerWaalsContact O-N 3.13Å; V666-I669 PolarHBondContact O-N 3.38Å; V666-A670 WeakPolarHBondContact O-CB 3.47Å; V666-A670 PolarHBondContact O-N 2.98Å; V666-E706 WeakPolarHBondContact CG1-O 3.34Å
667	S	94.2	Very high	91.7	Very high	36 Å²	36	69 Å²	69	25%	0.252	36%	0.355	S	S	.	.	H	α-helix	trans	-58.5	-22.9	175.1	68.4	0	0	0	0	114.7	D646 R665 I669 R673	D646-S667 WeakPolarHBondContact OD1-CB 3.46Å; D646-S667 PolarHBondContact OD1-N 2.7Å; D646-S667 PolarHBondContact OD1-OG 2.99Å; D646-S667 PolarHBondContact OD2-OG 3.11Å; R665-S667 WeakPolarHBondContact CB-OG 3.48Å; R665-S667 PolarHBondContact O-N 3.3Å; S667-I669 VanDerWaalsContact C-N 3.3Å; S667-R673 WeakPolarHBondContact O-CD 3.36Å; S667-R673 PolarHBondContact O-NH1 2.86Å
668	D	93.3	Very high	91.8	Very high	57 Å²	57	65.4 Å²	65.4	31%	0.305	35%	0.345	S	S	.	.	H	α-helix	trans	-75.3	-25.3	176.7	-57.8	-26.7	0	0	0	111.6	A663 T664 R665 V666 R673 D674	A663-D668 HydrophobicContact CB-CB 3.76Å; T664-D668 PolarHBondContact N-OD2 3.28Å; R665-D668 PolarHBondContact N-OD2 2.9Å; R665-D668 WeakPolarHBondContact O-CB 3.38Å; R665-D668 PolarHBondContact O-N 3.35Å; R665-D668 VanDerWaalsContact O-N 3.14Å; V666-D668 PolarHBondContact O-N 3.45Å; V666-D668 VanDerWaalsContact O-N 3.13Å; D668-R673 WeakPolarHBondContact O-CB 3.38Å; D668-D674 PolarHBondContact O-N 2.89Å
669	I	92.8	Very high	92	Very high	5 Å²	5	61 Å²	61	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-100.8	-45.5	-174.1	-61.7	168	0	0	0	111	L613 I633 L648 A663 V666 S667 G672 D674 V677 V704	L613-I669 HydrophobicContact CD2-CD1 4.32Å; I633-I669 HydrophobicContact CD1-CG2 4.31Å; I633-I669 HydrophobicContact CG1-CD1 4.49Å; I633-I669 HydrophobicContact CG1-CG2 4.24Å; I633-I669 HydrophobicContact CG2-CD1 4.1Å; L648-I669 HydrophobicContact CD1-CD1 3.85Å; L648-I669 HydrophobicContact CD2-CD1 4.31Å; A663-I669 HydrophobicContact CB-CD1 3.96Å; A663-I669 HydrophobicContact CB-CG1 3.68Å; V666-I669 PolarHBondContact O-N 3.38Å; S667-I669 VanDerWaalsContact C-N 3.3Å; I669-G672 PolarHBondContact O-N 3.37Å; I669-D674 HydrophobicContact CG1-CB 4.29Å; I669-V677 HydrophobicContact CD1-CG1 4.36Å; I669-V677 HydrophobicContact CD1-CG2 4.41Å; I669-V677 HydrophobicContact CG1-CG1 4.4Å; I669-V677 HydrophobicContact CG1-CG2 4.33Å; I669-V677 HydrophobicContact CG2-CB 4.23Å; I669-V677 HydrophobicContact CG2-CG1 3.6Å; I669-V704 HydrophobicContact CG2-CG1 4.26Å
670	A	90.3	Very high	92.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-57.2	149.7	-175.5	0	0	0	0	0	112.3	V666 G672 R673 V704 E706	V666-A670 WeakPolarHBondContact O-CB 3.47Å; V666-A670 PolarHBondContact O-N 2.98Å; A670-G672 PolarHBondContact O-N 2.9Å; A670-R673 WeakPolarHBondContact O-CD 3.48Å; A670-R673 WeakPolarHBondContact O-CG 3.37Å; A670-V704 HydrophobicContact CB-CG1 4.37Å; A670-E706 HydrophobicContact CB-CG 4.11Å
671	G	81.4	Confident	92.4	Very high	64 Å²	64	55.1 Å²	55.1	66%	0.66	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	69	15.1	-175.9	0	0	0	0	0	114.9	R673	G671-R673 PolarHBondContact O-N 3.22Å
672	G	78.9	Confident	92.5	Very high	37 Å²	37	57.9 Å²	57.9	38%	0.381	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	75.2	21.1	176.1	0	0	0	0	0	114.5	I669 A670	I669-G672 PolarHBondContact O-N 3.37Å; A670-G672 PolarHBondContact O-N 2.9Å
673	R	84.5	Confident	92.6	Very high	157 Å²	157	53.7 Å²	53.7	59%	0.592	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-34.4	-178.8	-65.5	172.5	-164.2	165.8	5.6	112.3	S667 D668 A670 G671	S667-R673 WeakPolarHBondContact O-CD 3.36Å; S667-R673 PolarHBondContact O-NH1 2.86Å; D668-R673 WeakPolarHBondContact O-CB 3.38Å; A670-R673 WeakPolarHBondContact O-CD 3.48Å; A670-R673 WeakPolarHBondContact O-CG 3.37Å; G671-R673 PolarHBondContact O-N 3.22Å
674	D	92.2	Very high	92.7	Very high	23 Å²	23	53.5 Å²	53.5	12%	0.123	29%	0.286	C	S	.	.			trans	-95.5	100.2	175.2	-164.7	-48.7	0	0	0	111.7	S661 D668 I669 A676 V677 H678	S661-D674 WeakPolarHBondContact CB-OD2 3.45Å; S661-D674 PolarHBondContact OG-OD2 3.39Å; D668-D674 PolarHBondContact O-N 2.89Å; I669-D674 HydrophobicContact CG1-CB 4.29Å; D674-A676 VanDerWaalsContact C-N 3.28Å; D674-A676 PolarHBondContact O-N 3.29Å; D674-A676 WeakPolarHBondContact OD1-CB 3.35Å; D674-A676 PolarHBondContact OD1-N 3.17Å; D674-V677 HydrophobicContact CB-CB 4.13Å; D674-V677 HydrophobicContact CB-CG2 4.28Å; D674-V677 PolarHBondContact OD1-N 3.1Å; D674-H678 VanDerWaalsContact O-CB 3.27Å; D674-H678 WeakPolarHBondContact O-CB 2.79Å; D674-H678 PolarHBondContact O-N 3.3Å
675	R	93.6	Very high	92.8	Very high	220 Å²	220	50.1 Å²	50.1	83%	0.83	27%	0.265	S	S	*	.	H	α-helix	trans	-62.9	-33	-179.5	-66.8	-174.8	-179.7	-179.8	-0	113.3	A679	R675-A679 VanDerWaalsContact O-CB 3.29Å; R675-A679 WeakPolarHBondContact O-CB 3.14Å; R675-A679 PolarHBondContact O-N 3.16Å
676	A	93.8	Very high	92.8	Very high	33 Å²	33	48.6 Å²	48.6	27%	0.273	26%	0.264	S	S	.	.	H	α-helix	trans	-73.4	-45	-175.7	0	0	0	0	0	110.5	L659 D674 A679 A680	L659-A676 WeakPolarHBondContact O-CB 3.41Å; D674-A676 VanDerWaalsContact C-N 3.28Å; D674-A676 PolarHBondContact O-N 3.29Å; D674-A676 WeakPolarHBondContact OD1-CB 3.35Å; D674-A676 PolarHBondContact OD1-N 3.17Å; A676-A679 PolarHBondContact O-N 3.45Å; A676-A680 PolarHBondContact O-N 2.61Å; A676-A680 VanDerWaalsContact O-N 3.09Å
677	V	93.9	Very high	92.8	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.7	-43.3	173.4	175.3	0	0	0	0	111	L613 I669 D674 A679 A680 I681	L613-V677 HydrophobicContact CD2-CG1 3.44Å; L613-V677 VanDerWaalsContact CD2-CG1 3.44Å; L613-V677 HydrophobicContact CD2-CG2 4.27Å; I669-V677 HydrophobicContact CD1-CG1 4.36Å; I669-V677 HydrophobicContact CD1-CG2 4.41Å; I669-V677 HydrophobicContact CG1-CG1 4.4Å; I669-V677 HydrophobicContact CG1-CG2 4.33Å; I669-V677 HydrophobicContact CG2-CB 4.23Å; I669-V677 HydrophobicContact CG2-CG1 3.6Å; D674-V677 HydrophobicContact CB-CB 4.13Å; D674-V677 HydrophobicContact CB-CG2 4.28Å; D674-V677 PolarHBondContact OD1-N 3.1Å; V677-A679 VanDerWaalsContact C-N 3.33Å; V677-A679 PolarHBondContact O-N 2.99Å; V677-A680 PolarHBondContact O-N 3.14Å; V677-I681 HydrophobicContact CG1-CD1 3.87Å; V677-I681 HydrophobicContact CG1-CG1 4.4Å; V677-I681 WeakPolarHBondContact O-CG1 3.35Å; V677-I681 PolarHBondContact O-N 2.96Å
678	H	95.1	Very high	92.6	Very high	75 Å²	75	52.1 Å²	52.1	35%	0.347	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-39.2	179	-166.6	-70.1	0	0	0	112.4	D674 I681 Q682 W702	D674-H678 VanDerWaalsContact O-CB 3.27Å; D674-H678 WeakPolarHBondContact O-CB 2.79Å; D674-H678 PolarHBondContact O-N 3.3Å; H678-I681 PolarHBondContact O-N 2.95Å; H678-Q682 PolarHBondContact O-N 2.85Å; H678-W702 HydrophobicContact CB-CH2 4.24Å; H678-W702 AromaticContact CD2-CH2 3.26Å; H678-W702 WeakPolarHBondContact CD2-CH2 3.33Å; H678-W702 AromaticContact CD2-CZ3 3.76Å; H678-W702 AromaticContact CE1-CH2 3.32Å; H678-W702 WeakPolarHBondContact CE1-CH2 3.02Å; H678-W702 AromaticContact CE1-CZ2 3.28Å; H678-W702 WeakPolarHBondContact CE1-CZ2 3.44Å; H678-W702 AromaticContact CG-CH2 3.41Å; H678-W702 VanDerWaalsContact CG-CH2 3.41Å; H678-W702 AromaticContact ND1-CH2 3.45Å; H678-W702 WeakPolarHBondContact ND1-CH2 3.41Å; H678-W702 AromaticContact ND1-CZ2 3.53Å; H678-W702 AromaticContact NE2-CH2 3.23Å; H678-W702 WeakPolarHBondContact NE2-CH2 3.31Å; H678-W702 AromaticContact NE2-CZ2 3.64Å; H678-W702 AromaticContact NE2-CZ3 3.71Å
679	A	95.3	Very high	92.6	Very high	57 Å²	57	49.8 Å²	49.8	47%	0.471	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-43.1	174.3	0	0	0	0	0	111.7	R675 A676 V677 I681 Q682 E683	R675-A679 VanDerWaalsContact O-CB 3.29Å; R675-A679 WeakPolarHBondContact O-CB 3.14Å; R675-A679 PolarHBondContact O-N 3.16Å; A676-A679 PolarHBondContact O-N 3.45Å; V677-A679 VanDerWaalsContact C-N 3.33Å; V677-A679 PolarHBondContact O-N 2.99Å; A679-I681 PolarHBondContact O-N 3.31Å; A679-Q682 PolarHBondContact O-N 2.97Å; A679-E683 WeakPolarHBondContact O-CB 3.44Å; A679-E683 PolarHBondContact O-N 2.95Å
680	A	95.4	Very high	92.3	Very high	14 Å²	14	56.3 Å²	56.3	12%	0.116	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-39.7	177.6	0	0	0	0	0	112.7	L659 A676 V677 E683 G684	L659-A680 HydrophobicContact CD1-CB 3.67Å; L659-A680 HydrophobicContact CD2-CB 3.72Å; L659-A680 HydrophobicContact CG-CB 4.25Å; A676-A680 PolarHBondContact O-N 2.61Å; A676-A680 VanDerWaalsContact O-N 3.09Å; V677-A680 PolarHBondContact O-N 3.14Å; A680-E683 PolarHBondContact O-N 3.36Å; A680-G684 PolarHBondContact O-N 3.48Å
681	I	96.8	Very high	91.7	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-47.3	173.7	-66.5	163.8	0	0	0	110.3	V611 L631 V677 H678 A679 E683 G684 I685 W702 V704	V611-I681 HydrophobicContact CG1-CG1 3.91Å; L631-I681 HydrophobicContact CD1-CG2 3.52Å; V677-I681 HydrophobicContact CG1-CD1 3.87Å; V677-I681 HydrophobicContact CG1-CG1 4.4Å; V677-I681 WeakPolarHBondContact O-CG1 3.35Å; V677-I681 PolarHBondContact O-N 2.96Å; H678-I681 PolarHBondContact O-N 2.95Å; A679-I681 PolarHBondContact O-N 3.31Å; I681-E683 VanDerWaalsContact C-N 3.31Å; I681-E683 PolarHBondContact O-N 2.97Å; I681-G684 PolarHBondContact O-N 3.34Å; I681-I685 HydrophobicContact CG2-CD1 3.85Å; I681-I685 HydrophobicContact CG2-CG1 4.49Å; I681-I685 WeakPolarHBondContact O-CG1 3.37Å; I681-I685 PolarHBondContact O-N 3.08Å; I681-W702 HydrophobicContact CB-CH2 3.59Å; I681-W702 HydrophobicContact CB-CZ2 3.89Å; I681-W702 HydrophobicContact CB-CZ3 4.1Å; I681-W702 HydrophobicContact CD1-CH2 4.08Å; I681-W702 HydrophobicContact CD1-CZ3 3.98Å; I681-W702 HydrophobicContact CG1-CH2 4.44Å; I681-W702 HydrophobicContact CG2-CD2 3.89Å; I681-W702 HydrophobicContact CG2-CE3 3.8Å; I681-W702 HydrophobicContact CG2-CH2 3.45Å; I681-W702 VanDerWaalsContact CG2-CH2 3.45Å; I681-W702 HydrophobicContact CG2-CZ2 3.58Å; I681-W702 HydrophobicContact CG2-CZ3 3.61Å; I681-V704 HydrophobicContact CD1-CG2 3.68Å
682	Q	97	Very high	91.4	Very high	65 Å²	65	61.1 Å²	61.1	30%	0.304	31%	0.307	S	S	.	.	H	α-helix	trans	-59.6	-42.8	178.4	-174.2	60.2	59.5	0	0	111.8	H678 A679 I685 N686 W702	H678-Q682 PolarHBondContact O-N 2.85Å; A679-Q682 PolarHBondContact O-N 2.97Å; Q682-I685 PolarHBondContact O-N 3.48Å; Q682-N686 PolarHBondContact NE2-OD1 3.13Å; Q682-N686 WeakPolarHBondContact O-CB 3.35Å; Q682-N686 PolarHBondContact O-N 3.05Å; Q682-N686 PolarHBondContact O-ND2 3.03Å; Q682-N686 PolarHBondContact O-OD1 2.73Å; Q682-W702 HydrophobicContact CB-CZ2 4.1Å
683	E	96.1	Very high	90.9	Very high	109 Å²	109	65 Å²	65	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-63.7	-42.5	177	-163.9	-165.9	150.7	0	0	111.6	A679 A680 I681 N686 R687	A679-E683 WeakPolarHBondContact O-CB 3.44Å; A679-E683 PolarHBondContact O-N 2.95Å; A680-E683 PolarHBondContact O-N 3.36Å; I681-E683 VanDerWaalsContact C-N 3.31Å; I681-E683 PolarHBondContact O-N 2.97Å; E683-N686 WeakPolarHBondContact O-CB 2.97Å; E683-N686 PolarHBondContact O-N 3.35Å; E683-R687 VanDerWaalsContact CD-NH1 3.25Å; E683-R687 WeakPolarHBondContact O-CG 3.36Å; E683-R687 PolarHBondContact O-N 3.35Å; E683-R687 IonicContact OE1-NH1 3.3Å; E683-R687 PolarHBondContact OE1-NH1 2.81Å
684	G	96	Very high	90.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-44.1	174.5	0	0	0	0	0	112.9	A680 I681 N686 R687 V688	A680-G684 PolarHBondContact O-N 3.48Å; I681-G684 PolarHBondContact O-N 3.34Å; G684-N686 VanDerWaalsContact C-N 3.31Å; G684-N686 PolarHBondContact O-N 2.87Å; G684-R687 PolarHBondContact O-N 3.46Å; G684-V688 WeakPolarHBondContact O-CG2 3.44Å; G684-V688 PolarHBondContact O-N 2.9Å
685	I	96.9	Very high	89.4	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.2	-38.8	175	-72.4	171.1	0	0	0	111.3	V607 L631 I681 Q682 R687 V688 N689 I699 W702	V607-I685 HydrophobicContact CG1-CG1 4.41Å; V607-I685 HydrophobicContact CG2-CG1 4.39Å; L631-I685 HydrophobicContact CD1-CD1 4.34Å; I681-I685 HydrophobicContact CG2-CD1 3.85Å; I681-I685 HydrophobicContact CG2-CG1 4.49Å; I681-I685 WeakPolarHBondContact O-CG1 3.37Å; I681-I685 PolarHBondContact O-N 3.08Å; Q682-I685 PolarHBondContact O-N 3.48Å; I685-R687 PolarHBondContact O-N 3Å; I685-V688 PolarHBondContact O-N 3.5Å; I685-N689 WeakPolarHBondContact O-CB 3.48Å; I685-N689 VanDerWaalsContact O-CG 3.27Å; I685-N689 PolarHBondContact O-N 2.98Å; I685-I699 HydrophobicContact CG2-CB 3.88Å; I685-I699 HydrophobicContact CG2-CD1 4.17Å; I685-I699 HydrophobicContact CG2-CG2 4.06Å; I685-W702 HydrophobicContact CD1-CB 3.92Å; I685-W702 HydrophobicContact CD1-CD2 3.83Å; I685-W702 HydrophobicContact CD1-CG 3.35Å
686	N	96.3	Very high	88.3	Confident	66 Å²	66	55.8 Å²	55.8	35%	0.353	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-44.8	175.4	-68.1	-13	0	0	0	111.3	Q682 E683 G684 V688 N689 E690	Q682-N686 PolarHBondContact NE2-OD1 3.13Å; Q682-N686 WeakPolarHBondContact O-CB 3.35Å; Q682-N686 PolarHBondContact O-N 3.05Å; Q682-N686 PolarHBondContact O-ND2 3.03Å; Q682-N686 PolarHBondContact O-OD1 2.73Å; E683-N686 WeakPolarHBondContact O-CB 2.97Å; E683-N686 PolarHBondContact O-N 3.35Å; G684-N686 VanDerWaalsContact C-N 3.31Å; G684-N686 PolarHBondContact O-N 2.87Å; N686-V688 VanDerWaalsContact C-N 3.33Å; N686-V688 PolarHBondContact O-N 3.2Å; N686-N689 WeakPolarHBondContact O-CB 3.44Å; N686-N689 PolarHBondContact O-N 3.06Å; N686-E690 WeakPolarHBondContact O-CG 3.47Å; N686-E690 PolarHBondContact O-N 3.13Å
687	R	94	Very high	87.7	Confident	94 Å²	94	55.9 Å²	55.9	36%	0.355	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-38.6	175.1	-69.8	-171.8	-63.8	-98.9	2	112.8	A610 E683 G684 I685 E690 N691	A610-R687 PolarHBondContact O-NH2 3.47Å; E683-R687 VanDerWaalsContact CD-NH1 3.25Å; E683-R687 WeakPolarHBondContact O-CG 3.36Å; E683-R687 PolarHBondContact O-N 3.35Å; E683-R687 IonicContact OE1-NH1 3.3Å; E683-R687 PolarHBondContact OE1-NH1 2.81Å; G684-R687 PolarHBondContact O-N 3.46Å; I685-R687 PolarHBondContact O-N 3Å; R687-E690 PolarHBondContact O-N 3.41Å; R687-N691 PolarHBondContact O-ND2 2.9Å; R687-N691 VanDerWaalsContact O-ND2 3.09Å
688	V	91.6	Very high	87.6	Confident	18 Å²	18	60 Å²	60	11%	0.109	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-45.5	174.3	174.2	0	0	0	0	110.4	I603 A606 V607 A610 G684 I685 N686 E690 N691 I699	I603-V688 HydrophobicContact CG2-CG1 4.39Å; A606-V688 HydrophobicContact CB-CG1 3.94Å; A606-V688 HydrophobicContact CB-CG2 4.01Å; A606-V688 WeakPolarHBondContact O-CG2 3.3Å; V607-V688 HydrophobicContact CG2-CB 4.26Å; V607-V688 HydrophobicContact CG2-CG1 4.13Å; V607-V688 HydrophobicContact CG2-CG2 3.93Å; A610-V688 HydrophobicContact CB-CG2 3.88Å; G684-V688 WeakPolarHBondContact O-CG2 3.44Å; G684-V688 PolarHBondContact O-N 2.9Å; I685-V688 PolarHBondContact O-N 3.5Å; N686-V688 VanDerWaalsContact C-N 3.33Å; N686-V688 PolarHBondContact O-N 3.2Å; V688-E690 VanDerWaalsContact C-N 3.26Å; V688-E690 PolarHBondContact O-N 3.14Å; V688-N691 PolarHBondContact O-N 3.38Å; V688-I699 HydrophobicContact CG1-CD1 4.42Å
689	N	91.8	Very high	87.6	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.043	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-26.4	178.8	-75.3	-18.3	0	0	0	113.8	I685 N686 N691 A692 R698 I699	I685-N689 WeakPolarHBondContact O-CB 3.48Å; I685-N689 VanDerWaalsContact O-CG 3.27Å; I685-N689 PolarHBondContact O-N 2.98Å; N686-N689 WeakPolarHBondContact O-CB 3.44Å; N686-N689 PolarHBondContact O-N 3.06Å; N689-N691 PolarHBondContact O-N 2.86Å; N689-A692 WeakPolarHBondContact O-CB 3.44Å; N689-A692 PolarHBondContact O-N 3.32Å; N689-R698 HydrophobicContact CB-CB 4.44Å; N689-R698 HydrophobicContact CB-CG 4.32Å; N689-R698 PolarHBondContact O-NH1 3.48Å; N689-R698 WeakPolarHBondContact OD1-CA 3.45Å; N689-I699 PolarHBondContact ND2-O 3.27Å; N689-I699 PolarHBondContact OD1-N 3.42Å
690	E	87.1	Confident	87.6	Confident	141 Å²	141	59.1 Å²	59.1	66%	0.659	31%	0.306	S	S	*	.	H	α-helix	trans	-63.2	-27.2	173.2	-77.3	167.3	-173.6	0	0	112.5	N686 R687 V688	N686-E690 WeakPolarHBondContact O-CG 3.47Å; N686-E690 PolarHBondContact O-N 3.13Å; R687-E690 PolarHBondContact O-N 3.41Å; V688-E690 VanDerWaalsContact C-N 3.26Å; V688-E690 PolarHBondContact O-N 3.14Å
691	N	78.6	Confident	87.7	Confident	136 Å²	136	62.1 Å²	62.1	73%	0.727	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	4.7	178.1	-60.7	-57.7	0	0	0	113.2	R687 V688 N689 T693	R687-N691 PolarHBondContact O-ND2 2.9Å; R687-N691 VanDerWaalsContact O-ND2 3.09Å; V688-N691 PolarHBondContact O-N 3.38Å; N689-N691 PolarHBondContact O-N 2.86Å; N691-T693 PolarHBondContact O-N 3.11Å
692	A	74.6	Confident	87.7	Confident	29 Å²	29	63 Å²	63	24%	0.24	32%	0.32	C	S	.	.			trans	-68.9	130	179	0	0	0	0	0	110.7	N689 S694 Q697 R698	N689-A692 WeakPolarHBondContact O-CB 3.44Å; N689-A692 PolarHBondContact O-N 3.32Å; A692-S694 VanDerWaalsContact C-N 3.28Å; A692-S694 PolarHBondContact O-N 3.42Å; A692-Q697 HydrophobicContact CB-CB 4.1Å; A692-R698 HydrophobicContact CB-CG 3.89Å
693	T	68.5	Low	87.7	Confident	120 Å²	120	62.4 Å²	62.4	74%	0.736	32%	0.319	S	S	*	.	S	Bend	trans	-69	-25.7	-179.8	44.6	0	0	0	0	113.1	N691 Q697	N691-T693 PolarHBondContact O-N 3.11Å; T693-Q697 PolarHBondContact OG1-NE2 2.84Å; T693-Q697 VanDerWaalsContact OG1-NE2 3.08Å; T693-Q697 PolarHBondContact OG1-OE1 3.37Å
694	S	71.8	Confident	87.7	Confident	33 Å²	33	57.7 Å²	57.7	23%	0.231	30%	0.297	C	S	.	.	S	Bend	trans	-141.4	159.4	176.2	77.4	0	0	0	0	111.9	E596 A692 A696 Q697	E596-S694 PolarHBondContact OE1-OG 2.93Å; A692-S694 VanDerWaalsContact C-N 3.28Å; A692-S694 PolarHBondContact O-N 3.42Å; S694-A696 PolarHBondContact O-N 2.94Å; S694-Q697 PolarHBondContact O-N 3.33Å
695	N	72.9	Confident	87.7	Confident	137 Å²	137	58 Å²	58	73%	0.733	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-60.4	-29	175.3	-79.4	-35.3	0	0	0	112.4	Q697 R698	N695-Q697 PolarHBondContact O-N 3.06Å; N695-R698 PolarHBondContact O-N 2.96Å
696	A	71.4	Confident	87.5	Confident	35 Å²	35	64.5 Å²	64.5	29%	0.289	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-66.6	-26.7	176.5	0	0	0	0	0	112.3	E596 I598 L627 S694 R698	E596-A696 HydrophobicContact CB-CB 3.93Å; E596-A696 HydrophobicContact CG-CB 3.94Å; I598-A696 HydrophobicContact CD1-CB 4.42Å; I598-A696 WeakPolarHBondContact CD1-O 3.4Å; L627-A696 WeakPolarHBondContact CD1-O 3.37Å; L627-A696 WeakPolarHBondContact CG-O 3.39Å; S694-A696 PolarHBondContact O-N 2.94Å; A696-R698 VanDerWaalsContact C-N 3.32Å
697	Q	80.9	Confident	87.3	Confident	36 Å²	36	70.1 Å²	70.1	17%	0.168	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-84.4	-0.8	177.7	-64.8	-169	26.9	0	0	114.3	I598 I603 L627 A692 T693 S694 N695	I598-Q697 HydrophobicContact CD1-CG 3.83Å; I598-Q697 HydrophobicContact CG1-CG 3.91Å; I598-Q697 HydrophobicContact CG2-CG 4.15Å; I603-Q697 HydrophobicContact CD1-CB 4.46Å; L627-Q697 WeakPolarHBondContact CD1-O 3.34Å; A692-Q697 HydrophobicContact CB-CB 4.1Å; T693-Q697 PolarHBondContact OG1-NE2 2.84Å; T693-Q697 VanDerWaalsContact OG1-NE2 3.08Å; T693-Q697 PolarHBondContact OG1-OE1 3.37Å; S694-Q697 PolarHBondContact O-N 3.33Å; N695-Q697 PolarHBondContact O-N 3.06Å
698	R	91.4	Very high	87.3	Confident	86 Å²	86	66.1 Å²	66.1	33%	0.325	33%	0.331	S	S	.	.	S	Bend	trans	-79.9	128.3	177.6	-61.4	178.6	73.8	97.3	-0.6	111.1	N689 A692 N695 A696 Q700	N689-R698 HydrophobicContact CB-CB 4.44Å; N689-R698 HydrophobicContact CB-CG 4.32Å; N689-R698 PolarHBondContact O-NH1 3.48Å; N689-R698 WeakPolarHBondContact OD1-CA 3.45Å; A692-R698 HydrophobicContact CB-CG 3.89Å; N695-R698 PolarHBondContact O-N 2.96Å; A696-R698 VanDerWaalsContact C-N 3.32Å; R698-Q700 PolarHBondContact O-N 2.9Å
699	I	96.1	Very high	87.4	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	115.7	171.7	-53.8	158.3	0	0	0	108.4	I603 V607 L619 M629 I685 V688 N689	I603-I699 HydrophobicContact CG2-CD1 3.74Å; I603-I699 HydrophobicContact CG2-CG1 4.03Å; V607-I699 HydrophobicContact CG2-CD1 3.56Å; L619-I699 HydrophobicContact CD1-CG1 3.95Å; M629-I699 HydrophobicContact CB-CG2 4.15Å; M629-I699 HydrophobicContact CE-CD1 3.44Å; M629-I699 VanDerWaalsContact CE-CD1 3.44Å; M629-I699 HydrophobicContact CE-CG1 3.97Å; M629-I699 HydrophobicContact SD-CD1 4.3Å; I685-I699 HydrophobicContact CG2-CB 3.88Å; I685-I699 HydrophobicContact CG2-CD1 4.17Å; I685-I699 HydrophobicContact CG2-CG2 4.06Å; V688-I699 HydrophobicContact CG1-CD1 4.42Å; N689-I699 PolarHBondContact ND2-O 3.27Å; N689-I699 PolarHBondContact OD1-N 3.42Å
700	Q	95.2	Very high	87.3	Confident	110 Å²	110	65.7 Å²	65.7	51%	0.514	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-36.7	-177.5	-67.1	-68.9	-14.9	0	0	113	F626 L627 R698	F626-Q700 HydrophobicContact CB-CB 4.17Å; F626-Q700 HydrophobicContact CB-CG 3.57Å; F626-Q700 HydrophobicContact CD2-CB 3.63Å; F626-Q700 HydrophobicContact CD2-CG 4.03Å; F626-Q700 HydrophobicContact CE2-CB 4.26Å; F626-Q700 HydrophobicContact CG-CB 4.02Å; F626-Q700 HydrophobicContact CG-CG 3.9Å; L627-Q700 PolarHBondContact O-N 3.36Å; R698-Q700 PolarHBondContact O-N 2.9Å
701	K	96.3	Very high	86.9	Confident	76 Å²	76	61 Å²	61	33%	0.33	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.2	-178.4	-52.2	-176.2	-179.6	-179.3	0	111	F626 T628 M629 F738	F626-K701 HydrophobicContact CE2-CD 3.98Å; F626-K701 HydrophobicContact CE2-CG 4.09Å; F626-K701 HydrophobicContact CZ-CD 4.2Å; T628-K701 CarbonylContact C-O 3.56Å; T628-K701 WeakPolarHBondContact CA-O 3.3Å; T628-K701 HydrophobicContact CG2-CB 4.03Å; M629-K701 PolarHBondContact N-O 3.05Å; K701-F738 HydrophobicContact CB-CD1 3.52Å; K701-F738 HydrophobicContact CB-CE1 3.89Å; K701-F738 HydrophobicContact CB-CG 4.26Å; K701-F738 HydrophobicContact CD-CB 4.2Å; K701-F738 HydrophobicContact CD-CD1 4.05Å; K701-F738 WeakPolarHBondContact CD-O 3.45Å; K701-F738 WeakPolarHBondContact CE-O 3.46Å; K701-F738 HydrophobicContact CG-CD1 4.44Å; K701-F738 PolarHBondContact NZ-O 2.94Å
702	W	97.2	Very high	87	Confident	20 Å²	20	57.4 Å²	57.4	8%	0.076	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	162.6	178.7	56.2	-88.6	0	0	0	110.6	M629 L631 H678 I681 Q682 I685 V704 F738	M629-W702 HydrophobicContact CB-CB 4.02Å; M629-W702 CarbonylContact O-C 3.58Å; M629-W702 WeakPolarHBondContact O-CA 3.38Å; L631-W702 HydrophobicContact CD1-CB 4.38Å; L631-W702 HydrophobicContact CD1-CD2 4.24Å; L631-W702 HydrophobicContact CD1-CE3 3.81Å; L631-W702 HydrophobicContact CD1-CZ3 4.46Å; H678-W702 HydrophobicContact CB-CH2 4.24Å; H678-W702 AromaticContact CD2-CH2 3.26Å; H678-W702 WeakPolarHBondContact CD2-CH2 3.33Å; H678-W702 AromaticContact CD2-CZ3 3.76Å; H678-W702 AromaticContact CE1-CH2 3.32Å; H678-W702 WeakPolarHBondContact CE1-CH2 3.02Å; H678-W702 AromaticContact CE1-CZ2 3.28Å; H678-W702 WeakPolarHBondContact CE1-CZ2 3.44Å; H678-W702 AromaticContact CG-CH2 3.41Å; H678-W702 VanDerWaalsContact CG-CH2 3.41Å; H678-W702 AromaticContact ND1-CH2 3.45Å; H678-W702 WeakPolarHBondContact ND1-CH2 3.41Å; H678-W702 AromaticContact ND1-CZ2 3.53Å; H678-W702 AromaticContact NE2-CH2 3.23Å; H678-W702 WeakPolarHBondContact NE2-CH2 3.31Å; H678-W702 AromaticContact NE2-CZ2 3.64Å; H678-W702 AromaticContact NE2-CZ3 3.71Å; I681-W702 HydrophobicContact CB-CH2 3.59Å; I681-W702 HydrophobicContact CB-CZ2 3.89Å; I681-W702 HydrophobicContact CB-CZ3 4.1Å; I681-W702 HydrophobicContact CD1-CH2 4.08Å; I681-W702 HydrophobicContact CD1-CZ3 3.98Å; I681-W702 HydrophobicContact CG1-CH2 4.44Å; I681-W702 HydrophobicContact CG2-CD2 3.89Å; I681-W702 HydrophobicContact CG2-CE3 3.8Å; I681-W702 HydrophobicContact CG2-CH2 3.45Å; I681-W702 VanDerWaalsContact CG2-CH2 3.45Å; I681-W702 HydrophobicContact CG2-CZ2 3.58Å; I681-W702 HydrophobicContact CG2-CZ3 3.61Å; Q682-W702 HydrophobicContact CB-CZ2 4.1Å; I685-W702 HydrophobicContact CD1-CB 3.92Å; I685-W702 HydrophobicContact CD1-CD2 3.83Å; I685-W702 HydrophobicContact CD1-CG 3.35Å; W702-V704 HydrophobicContact CE3-CG2 4.36Å; W702-V704 HydrophobicContact CZ3-CG2 3.88Å; W702-F738 VanDerWaalsContact C-CE1 3.48Å; W702-F738 VanDerWaalsContact C-CZ 3.45Å; W702-F738 WeakPolarHBondContact O-CE1 3.48Å
703	I	96.9	Very high	87.5	Confident	53 Å²	53	57.8 Å²	57.8	27%	0.272	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.4	176	-164.7	170.5	0	0	0	109.9	M629 L630 L631 L705 F738	M629-I703 PolarHBondContact O-N 3.48Å; L630-I703 HydrophobicContact CD2-CG2 3.53Å; L631-I703 WeakPolarHBondContact CB-O 3.27Å; L631-I703 PolarHBondContact N-O 3.31Å; I703-L705 HydrophobicContact CG2-CD2 4.26Å; I703-F738 HydrophobicContact CB-CE1 4.12Å; I703-F738 HydrophobicContact CB-CZ 3.65Å; I703-F738 HydrophobicContact CG2-CE1 4.48Å; I703-F738 HydrophobicContact CG2-CE2 4.18Å; I703-F738 HydrophobicContact CG2-CZ 3.57Å
704	V	96.9	Very high	88.3	Confident	10 Å²	10	53 Å²	53	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.8	168.1	173.9	0	0	0	0	109.1	L631 I633 I669 A670 I681 W702	L631-V704 HydrophobicContact CB-CG2 4.17Å; L631-V704 CarbonylContact O-C 3.57Å; L631-V704 WeakPolarHBondContact O-CA 3.28Å; I633-V704 HydrophobicContact CD1-CG1 3.97Å; I633-V704 HydrophobicContact CD1-CG2 4.3Å; I633-V704 HydrophobicContact CG1-CG1 3.55Å; I669-V704 HydrophobicContact CG2-CG1 4.26Å; A670-V704 HydrophobicContact CB-CG1 4.37Å; I681-V704 HydrophobicContact CD1-CG2 3.68Å; W702-V704 HydrophobicContact CE3-CG2 4.36Å; W702-V704 HydrophobicContact CZ3-CG2 3.88Å
705	L	95.6	Very high	89.2	Confident	7 Å²	7	52.1 Å²	52.1	4%	0.037	28%	0.278	C	S	.	.			trans	-76.9	155.5	177.4	-60.4	178	0	0	0	111.5	L630 L631 T632 I703 R707 F709 Y731	L630-L705 HydrophobicContact CB-CD1 4.1Å; L630-L705 HydrophobicContact CB-CG 4.45Å; L630-L705 HydrophobicContact CD1-CD1 4.37Å; L630-L705 HydrophobicContact CD2-CD2 4.3Å; L631-L705 PolarHBondContact O-N 2.96Å; T632-L705 HydrophobicContact CG2-CB 4.33Å; T632-L705 HydrophobicContact CG2-CD1 4.08Å; I703-L705 HydrophobicContact CG2-CD2 4.26Å; L705-R707 VanDerWaalsContact C-N 3.28Å; L705-R707 PolarHBondContact O-N 3.23Å; L705-F709 HydrophobicContact CD1-CE1 3.61Å; L705-F709 HydrophobicContact CD1-CZ 4.1Å; L705-Y731 HydrophobicContact CD1-CD1 4.06Å; L705-Y731 HydrophobicContact CD1-CD2 4.3Å; L705-Y731 HydrophobicContact CD1-CE1 3.73Å; L705-Y731 HydrophobicContact CD1-CE2 3.99Å; L705-Y731 HydrophobicContact CD1-CG 4.33Å; L705-Y731 HydrophobicContact CD2-CD1 3.68Å; L705-Y731 HydrophobicContact CD2-CE1 3.87Å; L705-Y731 HydrophobicContact CD2-CG 4.33Å; L705-Y731 HydrophobicContact CG-CE1 4.3Å
706	E	92.9	Very high	89.6	Confident	136 Å²	136	46.1 Å²	46.1	64%	0.636	25%	0.246	S	C	*	.	S	Bend	trans	-74.8	-16.1	-178.3	-61.9	-170.4	156.2	0	0	113.9	V666 A670	V666-E706 WeakPolarHBondContact CG1-O 3.34Å; A670-E706 HydrophobicContact CB-CG 4.11Å
707	R	91.9	Very high	89.8	Confident	184 Å²	184	44.6 Å²	44.6	69%	0.694	23%	0.234	S	C	*	.	S	Bend	trans	-139	151.1	-179.3	-68.9	-173.2	172.5	-168.6	-4.1	110.6	T632 L705	T632-R707 WeakPolarHBondContact CG2-O 3.44Å; L705-R707 VanDerWaalsContact C-N 3.28Å; L705-R707 PolarHBondContact O-N 3.23Å
708	D	94.4	Very high	88.9	Confident	10 Å²	10	44.3 Å²	44.3	5%	0.053	23%	0.234	C	C	.	.			trans	-75.6	163.8	171.1	-158.9	10.4	0	0	0	111.5	S615 N616 T632 P644	S615-D708 WeakPolarHBondContact CB-OD1 3.44Å; S615-D708 VanDerWaalsContact CB-OD2 3.22Å; S615-D708 WeakPolarHBondContact CB-OD2 3.42Å; S615-D708 PolarHBondContact OG-OD1 3.37Å; S615-D708 PolarHBondContact OG-OD2 3.1Å; N616-D708 PolarHBondContact ND2-OD1 2.83Å; T632-D708 WeakPolarHBondContact CB-OD1 3.46Å; T632-D708 PolarHBondContact OG1-OD1 3.05Å; P644-D708 HydrophobicContact CB-CB 3.73Å; P644-D708 HydrophobicContact CG-CB 4.1Å; P644-D708 WeakPolarHBondContact CG-O 3.46Å
709	F	93.6	Very high	87.5	Confident	10 Å²	10	41.9 Å²	41.9	4%	0.044	23%	0.23	C	C	.	.			trans	-76.7	138.2	176.3	-64.8	-17.6	0	0	0	111	N616 M618 T632 L705 E715 L716 L722 V727 Y731	N616-F709 HydrophobicContact CB-CD2 3.5Å; N616-F709 HydrophobicContact CB-CE2 3.84Å; N616-F709 HydrophobicContact CB-CG 4.25Å; M618-F709 HydrophobicContact CB-CE2 4.39Å; T632-F709 HydrophobicContact CG2-CD1 3.87Å; T632-F709 HydrophobicContact CG2-CE1 3.82Å; T632-F709 HydrophobicContact CG2-CG 4.29Å; T632-F709 HydrophobicContact CG2-CZ 4.18Å; L705-F709 HydrophobicContact CD1-CE1 3.61Å; L705-F709 HydrophobicContact CD1-CZ 4.1Å; F709-E715 HydrophobicContact CB-CB 3.73Å; F709-E715 HydrophobicContact CB-CG 4.35Å; F709-E715 HydrophobicContact CD1-CB 3.81Å; F709-E715 HydrophobicContact CD1-CG 3.66Å; F709-E715 HydrophobicContact CE1-CG 4.25Å; F709-E715 HydrophobicContact CG-CB 3.78Å; F709-E715 HydrophobicContact CG-CG 4.18Å; F709-L716 HydrophobicContact CB-CD1 4.29Å; F709-L716 HydrophobicContact CB-CD2 3.95Å; F709-L716 HydrophobicContact CB-CG 3.92Å; F709-L722 HydrophobicContact CD2-CD1 3.52Å; F709-L722 HydrophobicContact CE2-CD1 3.55Å; F709-L722 HydrophobicContact CG-CD1 4.45Å; F709-L722 HydrophobicContact CZ-CD1 4.5Å; F709-V727 HydrophobicContact CE1-CG1 4.2Å; F709-V727 HydrophobicContact CZ-CG1 3.83Å; F709-Y731 AromaticContact CE1-CE2 3.81Å; F709-Y731 HydrophobicContact CE1-CE2 3.81Å
710	S	88.4	Confident	86.2	Confident	7 Å²	7	45.6 Å²	45.6	5%	0.049	25%	0.248	C	C	.	.			trans	-141.2	167	-179.4	101.9	0	0	0	0	112.8	D643 P644 G712 G713 G714 E715 L716	D643-S710 PolarHBondContact OD1-OG 3.36Å; D643-S710 VanDerWaalsContact OD1-OG 3.09Å; P644-S710 VanDerWaalsContact CD-CB 3.41Å; S710-G712 PolarHBondContact OG-N 3.41Å; S710-G712 VanDerWaalsContact OG-N 3.13Å; S710-G713 PolarHBondContact OG-N 3.19Å; S710-G714 PolarHBondContact O-N 2.76Å; S710-E715 PolarHBondContact N-OE2 2.71Å; S710-E715 VanDerWaalsContact N-OE2 3.13Å; S710-E715 PolarHBondContact O-N 3.16Å; S710-L716 PolarHBondContact O-N 3.13Å
711	V	79.8	Confident	85.2	Confident	42 Å²	42	44.7 Å²	44.7	26%	0.255	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-37.4	172.4	-177.1	0	0	0	0	110.5	T206 G714 L716 G717 M720	T206-V711 HydrophobicContact CG2-CG1 4.1Å; V711-G714 PolarHBondContact O-N 3.31Å; V711-L716 HydrophobicContact CG2-CB 4.16Å; V711-G717 WeakPolarHBondContact CG2-O 3.41Å; V711-M720 HydrophobicContact CG2-CE 4.33Å; V711-M720 HydrophobicContact CG2-SD 3.59Å; V711-M720 VanDerWaalsContact CG2-SD 3.59Å
712	G	80.8	Confident	84.6	Confident	61 Å²	61	43.3 Å²	43.3	63%	0.629	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-35.6	178.5	0	0	0	0	0	113.4	S710 G714	S710-G712 PolarHBondContact OG-N 3.41Å; S710-G712 VanDerWaalsContact OG-N 3.13Å; G712-G714 VanDerWaalsContact C-N 3.29Å
713	G	84.8	Confident	83.9	Confident	36 Å²	36	45.8 Å²	45.8	37%	0.371	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.6	173.4	0	0	0	0	0	113.7	S710 E715 M730	S710-G713 PolarHBondContact OG-N 3.19Å; G713-E715 VanDerWaalsContact CA-OE2 3.3Å; G713-E715 WeakPolarHBondContact CA-OE2 3.37Å; G713-M730 WeakPolarHBondContact O-CE 3.47Å
714	G	84.6	Confident	83.5	Confident	21 Å²	21	44.3 Å²	44.3	22%	0.216	24%	0.24	C	C	.	.	S	Bend	trans	89.4	-4.3	174.8	0	0	0	0	0	114.8	S710 V711 G712 L716	S710-G714 PolarHBondContact O-N 2.76Å; V711-G714 PolarHBondContact O-N 3.31Å; G712-G714 VanDerWaalsContact C-N 3.29Å; G714-L716 VanDerWaalsContact C-N 3.28Å; G714-L716 PolarHBondContact O-N 3.3Å
715	E	90.6	Very high	82.9	Confident	13 Å²	13	46.7 Å²	46.7	6%	0.061	26%	0.256	C	S	.	.	S	Bend	trans	-66.4	-32.7	175.1	-55.1	89.9	166.5	0	0	111.6	F709 S710 G713 K723 V727 M730 Y731	F709-E715 HydrophobicContact CB-CB 3.73Å; F709-E715 HydrophobicContact CB-CG 4.35Å; F709-E715 HydrophobicContact CD1-CB 3.81Å; F709-E715 HydrophobicContact CD1-CG 3.66Å; F709-E715 HydrophobicContact CE1-CG 4.25Å; F709-E715 HydrophobicContact CG-CB 3.78Å; F709-E715 HydrophobicContact CG-CG 4.18Å; S710-E715 PolarHBondContact N-OE2 2.71Å; S710-E715 VanDerWaalsContact N-OE2 3.13Å; S710-E715 PolarHBondContact O-N 3.16Å; G713-E715 VanDerWaalsContact CA-OE2 3.3Å; G713-E715 WeakPolarHBondContact CA-OE2 3.37Å; E715-K723 PolarHBondContact O-N 3.33Å; E715-V727 HydrophobicContact CB-CG2 3.74Å; E715-V727 HydrophobicContact CG-CG2 4.06Å; E715-M730 HydrophobicContact CG-CE 3.79Å; E715-M730 HydrophobicContact CG-SD 3.98Å; E715-M730 VanDerWaalsContact OE1-CE 3.25Å; E715-M730 WeakPolarHBondContact OE1-CE 3.31Å; E715-Y731 HydrophobicContact CG-CE2 4.24Å; E715-Y731 PolarHBondContact OE1-OH 3.32Å
716	L	82.9	Confident	82.5	Confident	12 Å²	12	49.3 Å²	49.3	6%	0.063	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-107.1	146.8	176.8	-53.7	-178	0	0	0	112	F709 S710 V711 G714 M720 K721 L722	F709-L716 HydrophobicContact CB-CD1 4.29Å; F709-L716 HydrophobicContact CB-CD2 3.95Å; F709-L716 HydrophobicContact CB-CG 3.92Å; S710-L716 PolarHBondContact O-N 3.13Å; V711-L716 HydrophobicContact CG2-CB 4.16Å; G714-L716 VanDerWaalsContact C-N 3.28Å; G714-L716 PolarHBondContact O-N 3.3Å; L716-M720 HydrophobicContact CD1-SD 3.9Å; L716-K721 CarbonylContact C-O 3.52Å; L716-K721 WeakPolarHBondContact CA-O 3.25Å; L716-L722 HydrophobicContact CD2-CB 4.38Å; L716-L722 HydrophobicContact CD2-CD1 4.18Å
717	G	73.8	Confident	82.4	Confident	3 Å²	3	42.9 Å²	42.9	3%	0.031	24%	0.242	C	C	.	.			trans	-77.9	172.2	167.4	0	0	0	0	0	113.1	V711 T719 M720 K721	V711-G717 WeakPolarHBondContact CG2-O 3.41Å; G717-T719 PolarHBondContact O-N 3.27Å; G717-T719 VanDerWaalsContact O-N 3.08Å; G717-M720 WeakPolarHBondContact O-CA 3.27Å; G717-M720 PolarHBondContact O-N 2.89Å; G717-K721 PolarHBondContact N-O 2.83Å
718	P	63.6	Low	82.4	Confident	29 Å²	29	37.6 Å²	37.6	19%	0.188	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.8	-179.4	-23.6	33.6	0	0	0	114.2	Y204 T206 M720	Y204-P718 HydrophobicContact CD1-CB 3.47Å; Y204-P718 VanDerWaalsContact CD1-CB 3.47Å; Y204-P718 HydrophobicContact CD1-CG 3.94Å; Y204-P718 HydrophobicContact CD2-CG 4.34Å; Y204-P718 HydrophobicContact CE1-CB 3.75Å; Y204-P718 HydrophobicContact CE1-CG 4.33Å; Y204-P718 HydrophobicContact CG-CB 4Å; Y204-P718 HydrophobicContact CG-CG 3.94Å; T206-P718 WeakPolarHBondContact OG1-CG 3.45Å; P718-M720 VanDerWaalsContact C-N 3.29Å
719	T	61.8	Low	82.2	Confident	36 Å²	36	45.4 Å²	45.4	22%	0.221	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	15	174.9	53.5	0	0	0	0	113.4	G717 K721	G717-T719 PolarHBondContact O-N 3.27Å; G717-T719 VanDerWaalsContact O-N 3.08Å; T719-K721 PolarHBondContact O-N 3.03Å
720	M	69.4	Low	82.2	Confident	82 Å²	82	48.8 Å²	48.8	40%	0.404	28%	0.278	S	S	.	.	S	Bend	trans	62.9	19.3	-177.6	-61.3	-73.1	-155.5	0	0	114.9	V711 L716 G717 P718	V711-M720 HydrophobicContact CG2-CE 4.33Å; V711-M720 HydrophobicContact CG2-SD 3.59Å; V711-M720 VanDerWaalsContact CG2-SD 3.59Å; L716-M720 HydrophobicContact CD1-SD 3.9Å; G717-M720 WeakPolarHBondContact O-CA 3.27Å; G717-M720 PolarHBondContact O-N 2.89Å; P718-M720 VanDerWaalsContact C-N 3.29Å
721	K	73.5	Confident	82.6	Confident	91 Å²	91	49.7 Å²	49.7	40%	0.396	28%	0.28	S	S	.	.			trans	-81.3	138.5	173.6	-67.2	-174.8	178.7	-169.3	0	111.6	A472 L716 G717 T719	A472-K721 WeakPolarHBondContact O-CE 3.39Å; A472-K721 PolarHBondContact O-NZ 3.35Å; L716-K721 CarbonylContact C-O 3.52Å; L716-K721 WeakPolarHBondContact CA-O 3.25Å; G717-K721 PolarHBondContact N-O 2.83Å; T719-K721 PolarHBondContact O-N 3.03Å
722	L	83.3	Confident	83.2	Confident	46 Å²	46	55.7 Å²	55.7	24%	0.241	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-64.5	129.4	176.5	-176.3	64.9	0	0	0	112	M618 F709 L716 R724 V727	M618-L722 HydrophobicContact CB-CD2 4.13Å; M618-L722 HydrophobicContact CG-CD2 3.98Å; M618-L722 HydrophobicContact SD-CD2 3.98Å; F709-L722 HydrophobicContact CD2-CD1 3.52Å; F709-L722 HydrophobicContact CE2-CD1 3.55Å; F709-L722 HydrophobicContact CG-CD1 4.45Å; F709-L722 HydrophobicContact CZ-CD1 4.5Å; L716-L722 HydrophobicContact CD2-CB 4.38Å; L716-L722 HydrophobicContact CD2-CD1 4.18Å; L722-R724 HydrophobicContact CD2-CG 3.96Å; L722-R724 HydrophobicContact CG-CG 4.2Å; L722-R724 PolarHBondContact O-N 3.45Å; L722-V727 HydrophobicContact CD1-CG2 3.78Å
723	K	81.8	Confident	83.8	Confident	73 Å²	73	60 Å²	60	32%	0.317	30%	0.302	S	S	.	.			trans	-95.1	75	173.2	-69.2	174.1	172.4	167.4	0	110.4	E715 P725 V726 V727	E715-K723 PolarHBondContact O-N 3.33Å; K723-P725 VanDerWaalsContact O-N 3.15Å; K723-V726 HydrophobicContact CB-CB 3.95Å; K723-V726 HydrophobicContact CB-CG2 3.95Å; K723-V726 HydrophobicContact CD-CG2 4.31Å; K723-V726 WeakPolarHBondContact O-CB 3.24Å; K723-V726 PolarHBondContact O-N 3.41Å; K723-V727 PolarHBondContact O-N 3.48Å
724	R	89.3	Confident	84.2	Confident	22 Å²	22	61.2 Å²	61.2	8%	0.083	30%	0.298	C	S	.	.	H	α-helix	trans	-45.7	-48.2	-174.4	-65.2	179	179.2	-79.5	-11.1	114.3	E588 E604 M618 L722 V726 V727 L728	E588-R724 WeakPolarHBondContact OE2-CD 3.34Å; E588-R724 IonicContact OE2-CZ 2.67Å; E588-R724 IonicContact OE2-NE 2.61Å; E588-R724 PolarHBondContact OE2-NE 3.33Å; E588-R724 IonicContact OE2-NH2 2.63Å; E604-R724 IonicContact OE1-CZ 3.25Å; E604-R724 VanDerWaalsContact OE1-CZ 3.24Å; E604-R724 IonicContact OE1-NH1 3.64Å; E604-R724 PolarHBondContact OE1-NH1 3.46Å; E604-R724 IonicContact OE1-NH2 2.78Å; E604-R724 PolarHBondContact OE1-NH2 3.3Å; E604-R724 IonicContact OE2-CZ 3.44Å; E604-R724 IonicContact OE2-NH1 2.78Å; E604-R724 IonicContact OE2-NH2 2.94Å; E604-R724 PolarHBondContact OE2-NH2 2.94Å; M618-R724 HydrophobicContact CE-CB 3.67Å; M618-R724 HydrophobicContact CE-CG 3.88Å; M618-R724 HydrophobicContact SD-CG 4.46Å; L722-R724 HydrophobicContact CD2-CG 3.96Å; L722-R724 HydrophobicContact CG-CG 4.2Å; L722-R724 PolarHBondContact O-N 3.45Å; R724-V726 VanDerWaalsContact C-N 3.3Å; R724-V726 PolarHBondContact O-N 3.28Å; R724-V727 PolarHBondContact O-N 3.04Å; R724-L728 WeakPolarHBondContact O-CG 3.4Å; R724-L728 PolarHBondContact O-N 3.27Å
725	P	84.4	Confident	84.6	Confident	60 Å²	60	60.5 Å²	60.5	39%	0.39	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-31.2	-178	-26.4	41.2	0	0	0	113.7	T301 K723 K729	T301-P725 WeakPolarHBondContact O-CG 3.47Å; K723-P725 VanDerWaalsContact O-N 3.15Å; P725-K729 PolarHBondContact O-N 2.91Å
726	V	86.5	Confident	84.7	Confident	62 Å²	62	62 Å²	62	38%	0.376	30%	0.298	S	S	.	.	H	α-helix	trans	-68	-47	174	178.9	0	0	0	0	109.6	K723 R724 L728 K729 M730	K723-V726 HydrophobicContact CB-CB 3.95Å; K723-V726 HydrophobicContact CB-CG2 3.95Å; K723-V726 HydrophobicContact CD-CG2 4.31Å; K723-V726 WeakPolarHBondContact O-CB 3.24Å; K723-V726 PolarHBondContact O-N 3.41Å; R724-V726 VanDerWaalsContact C-N 3.3Å; R724-V726 PolarHBondContact O-N 3.28Å; V726-L728 PolarHBondContact O-N 3.12Å; V726-K729 WeakPolarHBondContact O-CB 3.34Å; V726-K729 PolarHBondContact O-N 2.99Å; V726-K729 VanDerWaalsContact O-N 3.1Å; V726-M730 HydrophobicContact CG1-CG 4.24Å; V726-M730 HydrophobicContact CG1-SD 3.71Å; V726-M730 VanDerWaalsContact O-CG 3.31Å; V726-M730 WeakPolarHBondContact O-CG 3.29Å; V726-M730 PolarHBondContact O-N 2.9Å
727	V	92.4	Very high	85.1	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.7	-41.8	178.3	179.5	0	0	0	0	111.7	M618 L630 F709 E715 L722 K723 R724 K729 M730 Y731	M618-V727 HydrophobicContact CE-CB 4.39Å; M618-V727 HydrophobicContact CE-CG1 4.41Å; M618-V727 HydrophobicContact SD-CB 3.74Å; M618-V727 HydrophobicContact SD-CG1 3.36Å; M618-V727 WeakPolarHBondContact SD-CG1 3.32Å; L630-V727 HydrophobicContact CD1-CG1 4.08Å; F709-V727 HydrophobicContact CE1-CG1 4.2Å; F709-V727 HydrophobicContact CZ-CG1 3.83Å; E715-V727 HydrophobicContact CB-CG2 3.74Å; E715-V727 HydrophobicContact CG-CG2 4.06Å; L722-V727 HydrophobicContact CD1-CG2 3.78Å; K723-V727 PolarHBondContact O-N 3.48Å; R724-V727 PolarHBondContact O-N 3.04Å; V727-K729 PolarHBondContact O-N 3.43Å; V727-M730 PolarHBondContact O-N 3.43Å; V727-Y731 HydrophobicContact CB-CD2 4.47Å; V727-Y731 HydrophobicContact CG1-CD2 3.53Å; V727-Y731 HydrophobicContact CG1-CE2 3.8Å; V727-Y731 WeakPolarHBondContact O-CD2 3.31Å; V727-Y731 PolarHBondContact O-N 2.96Å
728	L	90.8	Very high	86	Confident	73 Å²	73	66.3 Å²	66.3	38%	0.382	32%	0.319	S	S	.	.	H	α-helix	trans	-57.6	-37.6	173.4	-72.3	175.6	0	0	0	112.4	M618 I620 R724 V726 R732 I735	M618-L728 HydrophobicContact CE-CD2 3.84Å; M618-L728 HydrophobicContact CE-CG 3.8Å; I620-L728 HydrophobicContact CD1-CD2 4.47Å; I620-L728 HydrophobicContact CG1-CD2 4.05Å; I620-L728 HydrophobicContact CG2-CD2 4.27Å; R724-L728 WeakPolarHBondContact O-CG 3.4Å; R724-L728 PolarHBondContact O-N 3.27Å; V726-L728 PolarHBondContact O-N 3.12Å; L728-R732 WeakPolarHBondContact O-CA 3.35Å; L728-R732 PolarHBondContact O-N 3.4Å; L728-I735 HydrophobicContact CD2-CD1 3.7Å
729	K	90.8	Very high	87.2	Confident	175 Å²	175	66.8 Å²	66.8	76%	0.761	32%	0.318	S	S	*	.	H	α-helix	trans	-73.7	-43.4	176.8	-174.9	-179.3	177.1	-176.4	0	111.7	P725 V726 V727	P725-K729 PolarHBondContact O-N 2.91Å; V726-K729 WeakPolarHBondContact O-CB 3.34Å; V726-K729 PolarHBondContact O-N 2.99Å; V726-K729 VanDerWaalsContact O-N 3.1Å; V727-K729 PolarHBondContact O-N 3.43Å
730	M	93.8	Very high	88.5	Confident	81 Å²	81	71.4 Å²	71.4	40%	0.399	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-43.2	-178.7	-72.9	173.8	69.1	0	0	112.4	G713 E715 V726 V727	G713-M730 WeakPolarHBondContact O-CE 3.47Å; E715-M730 HydrophobicContact CG-CE 3.79Å; E715-M730 HydrophobicContact CG-SD 3.98Å; E715-M730 VanDerWaalsContact OE1-CE 3.25Å; E715-M730 WeakPolarHBondContact OE1-CE 3.31Å; V726-M730 HydrophobicContact CG1-CG 4.24Å; V726-M730 HydrophobicContact CG1-SD 3.71Å; V726-M730 VanDerWaalsContact O-CG 3.31Å; V726-M730 WeakPolarHBondContact O-CG 3.29Å; V726-M730 PolarHBondContact O-N 2.9Å; V727-M730 PolarHBondContact O-N 3.43Å
731	Y	95.1	Very high	88	Confident	26 Å²	26	74.6 Å²	74.6	10%	0.102	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	24.3	-175.9	-57.9	-77	0	0	0	113.1	L630 L705 F709 E715 V727 E733 Q734 I735	L630-Y731 HydrophobicContact CD1-CD2 4.03Å; L630-Y731 HydrophobicContact CD1-CG 4.09Å; L705-Y731 HydrophobicContact CD1-CD1 4.06Å; L705-Y731 HydrophobicContact CD1-CD2 4.3Å; L705-Y731 HydrophobicContact CD1-CE1 3.73Å; L705-Y731 HydrophobicContact CD1-CE2 3.99Å; L705-Y731 HydrophobicContact CD1-CG 4.33Å; L705-Y731 HydrophobicContact CD2-CD1 3.68Å; L705-Y731 HydrophobicContact CD2-CE1 3.87Å; L705-Y731 HydrophobicContact CD2-CG 4.33Å; L705-Y731 HydrophobicContact CG-CE1 4.3Å; F709-Y731 AromaticContact CE1-CE2 3.81Å; F709-Y731 HydrophobicContact CE1-CE2 3.81Å; E715-Y731 HydrophobicContact CG-CE2 4.24Å; E715-Y731 PolarHBondContact OE1-OH 3.32Å; V727-Y731 HydrophobicContact CB-CD2 4.47Å; V727-Y731 HydrophobicContact CG1-CD2 3.53Å; V727-Y731 HydrophobicContact CG1-CE2 3.8Å; V727-Y731 WeakPolarHBondContact O-CD2 3.31Å; V727-Y731 PolarHBondContact O-N 2.96Å; Y731-E733 PolarHBondContact O-N 3.4Å; Y731-Q734 VanDerWaalsContact CA-OE1 3.22Å; Y731-Q734 PolarHBondContact O-N 3.36Å; Y731-Q734 PolarHBondContact O-OE1 3.1Å; Y731-Q734 VanDerWaalsContact O-OE1 3.08Å; Y731-I735 VanDerWaalsContact O-CG1 3.23Å; Y731-I735 WeakPolarHBondContact O-CG1 3.37Å; Y731-I735 PolarHBondContact O-N 3.31Å
732	R	93.5	Very high	86.6	Confident	168 Å²	168	76.1 Å²	76.1	63%	0.634	37%	0.365	S	S	*	.	H	α-helix	trans	-52.5	-42.8	-174.4	-177.1	180	-175.8	175.6	6.7	112.7	L728 I735 D736	L728-R732 WeakPolarHBondContact O-CA 3.35Å; L728-R732 PolarHBondContact O-N 3.4Å; R732-I735 PolarHBondContact O-N 3.27Å; R732-D736 WeakPolarHBondContact CG-OD2 3.4Å; R732-D736 IonicContact NE-OD2 3.79Å; R732-D736 WeakPolarHBondContact O-CB 3.45Å; R732-D736 PolarHBondContact O-N 3.11Å
733	E	93.3	Very high	84.3	Confident	151 Å²	151	79.9 Å²	79.9	71%	0.706	39%	0.391	S	S	*	.	H	α-helix	trans	-64.3	-45.9	-178.2	-65.2	-170.8	169.1	0	0	112.4	Y731 I735 D736 N737	Y731-E733 PolarHBondContact O-N 3.4Å; E733-I735 VanDerWaalsContact C-N 3.29Å; E733-I735 PolarHBondContact O-N 3.25Å; E733-D736 PolarHBondContact O-N 3.02Å; E733-N737 WeakPolarHBondContact O-CB 3.47Å; E733-N737 PolarHBondContact O-N 3.3Å; E733-N737 PolarHBondContact O-ND2 2.99Å
734	Q	93	Very high	82	Confident	62 Å²	62	82.3 Å²	82.3	29%	0.29	41%	0.412	S	S	.	.	H	α-helix	trans	-61.6	-41.7	176.7	-62.9	84.4	-14.4	0	0	110.6	Y731 N737	Y731-Q734 VanDerWaalsContact CA-OE1 3.22Å; Y731-Q734 PolarHBondContact O-N 3.36Å; Y731-Q734 PolarHBondContact O-OE1 3.1Å; Y731-Q734 VanDerWaalsContact O-OE1 3.08Å; Q734-N737 PolarHBondContact O-N 3.2Å
735	I	93.3	Very high	79.2	Confident	5 Å²	5	90 Å²	90	3%	0.026	45%	0.449	C	S	.	.	H	α-helix	trans	-65.6	-50.3	179.1	-63.3	173.4	0	0	0	110.8	I620 L630 L728 Y731 R732 E733 N737 F738 Y739	I620-I735 HydrophobicContact CD1-CD1 3.56Å; I620-I735 HydrophobicContact CD1-CG1 3.56Å; I620-I735 HydrophobicContact CD1-CG2 4.3Å; I620-I735 HydrophobicContact CG1-CD1 4.46Å; I620-I735 HydrophobicContact CG2-CG2 4.01Å; L630-I735 HydrophobicContact CD1-CD1 4.25Å; L630-I735 HydrophobicContact CD1-CG1 4.34Å; L630-I735 HydrophobicContact CD2-CG1 4.24Å; L728-I735 HydrophobicContact CD2-CD1 3.7Å; Y731-I735 VanDerWaalsContact O-CG1 3.23Å; Y731-I735 WeakPolarHBondContact O-CG1 3.37Å; Y731-I735 PolarHBondContact O-N 3.31Å; R732-I735 PolarHBondContact O-N 3.27Å; E733-I735 VanDerWaalsContact C-N 3.29Å; E733-I735 PolarHBondContact O-N 3.25Å; I735-N737 PolarHBondContact O-N 3.05Å; I735-F738 WeakPolarHBondContact O-CB 3.25Å; I735-F738 PolarHBondContact O-N 3.33Å; I735-Y739 HydrophobicContact CG2-CD2 4.49Å; I735-Y739 HydrophobicContact CG2-CE2 4.11Å; I735-Y739 VanDerWaalsContact O-CD2 3.23Å; I735-Y739 WeakPolarHBondContact O-CD2 3.39Å
736	D	92.2	Very high	76.7	Confident	46 Å²	46	96.1 Å²	96.1	25%	0.246	47%	0.472	C	S	.	.	H	α-helix	trans	-62.8	-32.2	-178.9	-74.8	-24.2	0	0	0	111.2	R624 R732 E733 F738 Y739 K740	R624-D736 IonicContact CZ-OD1 3.94Å; R624-D736 IonicContact NH1-OD1 3.77Å; R624-D736 IonicContact NH2-OD1 2.62Å; R624-D736 PolarHBondContact NH2-OD1 2.88Å; R732-D736 WeakPolarHBondContact CG-OD2 3.4Å; R732-D736 IonicContact NE-OD2 3.79Å; R732-D736 WeakPolarHBondContact O-CB 3.45Å; R732-D736 PolarHBondContact O-N 3.11Å; E733-D736 PolarHBondContact O-N 3.02Å; D736-F738 VanDerWaalsContact C-N 3.26Å; D736-F738 PolarHBondContact O-N 3.44Å; D736-Y739 PolarHBondContact O-N 2.93Å; D736-K740 PolarHBondContact O-N 2.88Å; D736-K740 VanDerWaalsContact O-N 3.09Å
737	N	92.6	Very high	74.2	Confident	88 Å²	88	100.3 Å²	100.3	47%	0.471	49%	0.492	S	S	.	.	H	α-helix	trans	-61.5	-28.3	173.5	-72.8	-22.1	0	0	0	113.8	E733 Q734 I735 Y739 K740	E733-N737 WeakPolarHBondContact O-CB 3.47Å; E733-N737 PolarHBondContact O-N 3.3Å; E733-N737 PolarHBondContact O-ND2 2.99Å; Q734-N737 PolarHBondContact O-N 3.2Å; I735-N737 PolarHBondContact O-N 3.05Å; N737-Y739 PolarHBondContact O-N 3.18Å; N737-K740 WeakPolarHBondContact OD1-CE 3.34Å; N737-K740 PolarHBondContact OD1-NZ 3.4Å
738	F	91.3	Very high	71.6	Confident	17 Å²	17	106 Å²	106	8%	0.075	53%	0.53	C	S	.	.	H	α-helix	trans	-64	-31.5	172.8	-68.1	-53.9	0	0	0	112.8	T628 L630 K701 W702 I703 I735 D736	T628-F738 HydrophobicContact CG2-CB 3.72Å; T628-F738 HydrophobicContact CG2-CD1 4.46Å; T628-F738 HydrophobicContact CG2-CD2 3.95Å; T628-F738 HydrophobicContact CG2-CG 3.83Å; L630-F738 HydrophobicContact CD2-CE2 4.11Å; K701-F738 HydrophobicContact CB-CD1 3.52Å; K701-F738 HydrophobicContact CB-CE1 3.89Å; K701-F738 HydrophobicContact CB-CG 4.26Å; K701-F738 HydrophobicContact CD-CB 4.2Å; K701-F738 HydrophobicContact CD-CD1 4.05Å; K701-F738 WeakPolarHBondContact CD-O 3.45Å; K701-F738 WeakPolarHBondContact CE-O 3.46Å; K701-F738 HydrophobicContact CG-CD1 4.44Å; K701-F738 PolarHBondContact NZ-O 2.94Å; W702-F738 VanDerWaalsContact C-CE1 3.48Å; W702-F738 VanDerWaalsContact C-CZ 3.45Å; W702-F738 WeakPolarHBondContact O-CE1 3.48Å; I703-F738 HydrophobicContact CB-CE1 4.12Å; I703-F738 HydrophobicContact CB-CZ 3.65Å; I703-F738 HydrophobicContact CG2-CE1 4.48Å; I703-F738 HydrophobicContact CG2-CE2 4.18Å; I703-F738 HydrophobicContact CG2-CZ 3.57Å; I735-F738 WeakPolarHBondContact O-CB 3.25Å; I735-F738 PolarHBondContact O-N 3.33Å; D736-F738 VanDerWaalsContact C-N 3.26Å; D736-F738 PolarHBondContact O-N 3.44Å
739	Y	89.7	Confident	68.9	Low	39 Å²	39	110.4 Å²	110.4	15%	0.153	55%	0.552	C	S	.	*	H	α-helix	trans	-104.8	-2.2	-170.8	-59.1	-75.3	0	0	0	113.9	I620 R624 F626 T628 I735 D736 N737 E741	I620-Y739 PolarHBondContact O-OH 3.07Å; R624-Y739 HydrophobicContact CB-CD1 4.22Å; R624-Y739 HydrophobicContact CB-CE1 3.51Å; R624-Y739 HydrophobicContact CB-CE2 4.44Å; R624-Y739 HydrophobicContact CG-CD1 4.45Å; R624-Y739 HydrophobicContact CG-CD2 4.44Å; R624-Y739 HydrophobicContact CG-CE1 3.88Å; R624-Y739 HydrophobicContact CG-CE2 3.89Å; F626-Y739 HydrophobicContact CD2-CD1 4.44Å; F626-Y739 AromaticContact CD2-CE1 3.78Å; F626-Y739 HydrophobicContact CD2-CE1 3.78Å; F626-Y739 HydrophobicContact CE1-CD1 4.12Å; F626-Y739 HydrophobicContact CE1-CE1 4.34Å; F626-Y739 AromaticContact CE2-CD1 3.84Å; F626-Y739 HydrophobicContact CE2-CD1 3.84Å; F626-Y739 AromaticContact CE2-CE1 3.54Å; F626-Y739 HydrophobicContact CE2-CE1 3.54Å; F626-Y739 HydrophobicContact CG-CE1 4.3Å; F626-Y739 AromaticContact CZ-CD1 3.65Å; F626-Y739 HydrophobicContact CZ-CD1 3.65Å; F626-Y739 AromaticContact CZ-CE1 3.83Å; F626-Y739 HydrophobicContact CZ-CE1 3.83Å; F626-Y739 WeakPolarHBondContact O-CE1 3.4Å; F626-Y739 PolarHBondContact O-OH 3.26Å; T628-Y739 HydrophobicContact CG2-CE1 3.96Å; T628-Y739 HydrophobicContact CG2-CE2 4.08Å; T628-Y739 VanDerWaalsContact CG2-CZ 3.5Å; T628-Y739 WeakPolarHBondContact CG2-OH 3.48Å; T628-Y739 PolarHBondContact OG1-OH 3.38Å; I735-Y739 HydrophobicContact CG2-CD2 4.49Å; I735-Y739 HydrophobicContact CG2-CE2 4.11Å; I735-Y739 VanDerWaalsContact O-CD2 3.23Å; I735-Y739 WeakPolarHBondContact O-CD2 3.39Å; D736-Y739 PolarHBondContact O-N 2.93Å; N737-Y739 PolarHBondContact O-N 3.18Å; Y739-E741 PolarHBondContact O-N 3Å
740	K	88.6	Confident	66.3	Low	133 Å²	133	107.3 Å²	107.3	58%	0.578	55%	0.55	S	S	*	*	S	Bend	trans	-63.9	124.7	166.2	-73.7	176.2	-175	167.7	0	108.6	D736 N737 T742	D736-K740 PolarHBondContact O-N 2.88Å; D736-K740 VanDerWaalsContact O-N 3.09Å; N737-K740 WeakPolarHBondContact OD1-CE 3.34Å; N737-K740 PolarHBondContact OD1-NZ 3.4Å; K740-T742 PolarHBondContact O-N 3.3Å
741	E	59	Low	64	Low	148 Å²	148	109.6 Å²	109.6	69%	0.692	57%	0.571	S	S	*	*			trans	-64.7	125.4	175.3	-72.5	-178	173.4	0	0	109.2	K625 Y739 T743	K625-E741 IonicContact NZ-OE1 3.83Å; K625-E741 PolarHBondContact NZ-OE1 3.39Å; K625-E741 VanDerWaalsContact NZ-OE1 3.08Å; Y739-E741 PolarHBondContact O-N 3Å; E741-T743 VanDerWaalsContact C-N 3.29Å; E741-T743 PolarHBondContact O-N 3.49Å
742	T	44.5	Very low	61.8	Low	123 Å²	123	122 Å²	122	76%	0.755	63%	0.625	S	S	*	*			trans	-72.3	94.4	160	-38	0	0	0	0	105.6	K740 T744	K740-T742 PolarHBondContact O-N 3.3Å; T742-T744 PolarHBondContact O-N 2.9Å; T742-T744 PolarHBondContact O-OG1 3.04Å
743	T	34.3	Very low	60.2	Low	126 Å²	126	119.7 Å²	119.7	77%	0.773	63%	0.625	S	S	*	*			trans	-54.2	104.2	171.3	-32.9	0	0	0	0	107.2	E741 Q745	E741-T743 VanDerWaalsContact C-N 3.29Å; E741-T743 PolarHBondContact O-N 3.49Å; T743-Q745 PolarHBondContact O-N 3.43Å
744	T	34.1	Very low	58.4	Low	124 Å²	124	118 Å²	118	76%	0.761	62%	0.621	S	S	*	*			trans	-69.5	118	176.4	-23	0	0	0	0	105	T742 E746	T742-T744 PolarHBondContact O-N 2.9Å; T742-T744 PolarHBondContact O-OG1 3.04Å; T744-E746 PolarHBondContact O-N 3.31Å
745	Q	30.6	Very low	56.5	Low	183 Å²	183	121.1 Å²	121.1	86%	0.855	64%	0.639	S	S	*	*			trans	-55	113.4	170.4	-80.6	178.5	-25.6	0	0	107.6	T743 N747	T743-Q745 PolarHBondContact O-N 3.43Å; Q745-N747 PolarHBondContact O-N 3.19Å
746	E	31	Very low	54.3	Low	188 Å²	188	127.9 Å²	127.9	88%	0.879	68%	0.675	S	S	*	*			trans	-56.2	112.7	165.6	-75.7	-177	151.4	0	0	107.6	T744 P748	T744-E746 PolarHBondContact O-N 3.31Å; E746-P748 WeakPolarHBondContact O-CD 3.47Å
747	N	34	Very low	52	Low	151 Å²	151	133.1 Å²	133.1	81%	0.807	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-60.6	123.1	164.8	-94.4	-22.7	0	0	0	107.6	Q745 L749	Q745-N747 PolarHBondContact O-N 3.19Å; N747-L749 PolarHBondContact O-N 3.08Å
748	P	37.2	Very low	49.3	Very low	120 Å²	120	136.1 Å²	136.1	78%	0.779	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-64.6	124.1	171.9	24.8	-29.2	0	0	0	108.8	E746	E746-P748 WeakPolarHBondContact O-CD 3.47Å
749	L	35.8	Very low	46.3	Very low	164 Å²	164	144.6 Å²	144.6	86%	0.859	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-53.7	141.7	172.9	-78.4	153.8	0	0	0	110.4	N747	N747-L749 PolarHBondContact O-N 3.08Å
750	P	36.1	Very low	42.9	Very low	110 Å²	110	152.7 Å²	152.7	71%	0.714	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.6	148.8	179	29.2	-31.9	0	0	0	110.8
751	P	45.6	Very low	39.1	Very low	130 Å²	130	154.3 Å²	154.3	84%	0.844	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-70.8	150	-179.4	30.7	-32.2	0	0	0	110.8
752	K	47.3	Very low	37.3	Very low	285 Å²	285	154.9 Å²	154.9	100%	1.239	84%	0.842	S	S	*	*			trans	-47.1	0	-172.2	-74.2	-176.9	176.2	179.9	0	115.9

Retrieved 752 of 752 residues in 908.1 ms (Link to these results)

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