A0A087XR34_POEFO Loading...

Basic helix-loop-helix ARNT like 1a

AlphaFold DB , UniProt , Accession A0A087XR34, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 638 aa.

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(Predicted Aligned Error values between residue pairs)

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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	46.3	Very low	35.6	Very low	241 Å²	241	140 Å²	140	100%	1.187	78%	0.776	S	S	*	*				0	86.9	0	-110.7	175.1	160.3	0	0	105.4
2	E	30.1	Very low	35.6	Very low	200 Å²	200	140.5 Å²	140.5	94%	0.935	77%	0.772	S	S	*	*			trans	-165.6	150.9	176.6	-103.4	150.3	173.9	0	0	103.6
3	G	35.9	Very low	35.5	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	76%	0.758	S	S	*	*			trans	-134.8	152.3	-179.7	0	0	0	0	0	109.4
4	D	31	Very low	35.4	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	75%	0.747	S	S	*	*			trans	-128.4	124.4	171.7	-82.5	-57.7	0	0	0	108.3
5	D	40.1	Very low	35.3	Very low	166 Å²	166	133.6 Å²	133.6	89%	0.888	74%	0.737	S	S	*	*			trans	-75.2	130.3	170.4	-73.9	-62	0	0	0	109.9
6	F	33.4	Very low	35.1	Very low	189 Å²	189	132.4 Å²	132.4	83%	0.829	73%	0.729	S	S	*	*			trans	-129	79.4	172	-107.6	-85.7	0	0	0	113.6
7	N	32.3	Very low	34.9	Very low	99 Å²	99	131.9 Å²	131.9	53%	0.529	73%	0.726	S	S	.	*			trans	60.6	92.7	133.7	-165.8	3.3	0	0	0	118.6	D9	N7-D9 WeakPolarHBondContact OD1-CB 3.33Å; N7-D9 PolarHBondContact OD1-N 2.85Å
8	T	37.2	Very low	34.9	Very low	125 Å²	125	132.2 Å²	132.2	77%	0.767	73%	0.725	S	S	*	*	S	Bend	trans	-77.8	-12.1	167.8	23.4	0	0	0	0	115.4	A10	T8-A10 VanDerWaalsContact C-N 3.25Å; T8-A10 PolarHBondContact O-N 3.03Å
9	D	34.1	Very low	35	Very low	116 Å²	116	132.7 Å²	132.7	62%	0.62	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-11.6	-169.2	-60.5	-21.3	0	0	0	113.2	N7 V11	N7-D9 WeakPolarHBondContact OD1-CB 3.33Å; N7-D9 PolarHBondContact OD1-N 2.85Å; D9-V11 PolarHBondContact O-N 3.36Å
10	A	35.3	Very low	34.9	Very low	61 Å²	61	129.3 Å²	129.3	50%	0.504	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.8	-11.6	179.5	0	0	0	0	0	114.8	T8	T8-A10 VanDerWaalsContact C-N 3.25Å; T8-A10 PolarHBondContact O-N 3.03Å
11	V	36.5	Very low	34.8	Very low	113 Å²	113	130.8 Å²	130.8	69%	0.685	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-24.2	-173	-176.1	0	0	0	0	113.5	D9	D9-V11 PolarHBondContact O-N 3.36Å
12	M	35.5	Very low	34.2	Very low	146 Å²	146	128 Å²	128	72%	0.719	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-42.6	177.8	-69.9	-162.2	-177.6	0	0	112.8	I14 C15	M12-I14 PolarHBondContact O-N 3.2Å; M12-C15 PolarHBondContact O-N 3.18Å
13	N	33.9	Very low	34.4	Very low	110 Å²	110	129 Å²	129	59%	0.588	70%	0.7	S	S	*	*	H	α-helix	trans	-62.7	-18.9	-172.9	-68.5	-25.3	0	0	0	114.7	C15	N13-C15 VanDerWaalsContact C-N 3.35Å
14	I	34.3	Very low	34.4	Very low	120 Å²	120	134.2 Å²	134.2	62%	0.615	71%	0.707	S	S	*	*	H	α-helix	trans	-77.8	-21.1	177.4	-63.4	174.6	0	0	0	111.9	M12	M12-I14 PolarHBondContact O-N 3.2Å
15	C	34.3	Very low	34.5	Very low	88 Å²	88	134.1 Å²	134.1	60%	0.595	71%	0.707	S	S	*	*	H	α-helix	trans	-85.2	-31.8	178.8	-71.7	0	0	0	0	113.4	M12 N13	M12-C15 PolarHBondContact O-N 3.18Å; N13-C15 VanDerWaalsContact C-N 3.35Å
16	D	32.3	Very low	34	Very low	114 Å²	114	134.4 Å²	134.4	61%	0.61	71%	0.706	S	S	*	*	H	α-helix	trans	-81.5	-37.8	-177.9	-76.1	-41	0	0	0	113	L18 M19 A20	D16-L18 PolarHBondContact O-N 3.33Å; D16-M19 PolarHBondContact O-N 2.86Å; D16-A20 PolarHBondContact O-N 2.91Å; D16-A20 VanDerWaalsContact O-N 3.14Å
17	D	31.5	Very low	33.9	Very low	125 Å²	125	131.2 Å²	131.2	67%	0.668	71%	0.707	S	S	*	*	H	α-helix	trans	-60.4	-33	175.6	-86.8	-15.8	0	0	0	112.1	M19 A20	D17-M19 PolarHBondContact O-N 3.27Å; D17-A20 PolarHBondContact O-N 3.1Å
18	L	34.1	Very low	33.8	Very low	137 Å²	137	131.1 Å²	131.1	72%	0.717	72%	0.715	S	S	*	*	H	α-helix	trans	-74.5	-4.7	174.6	-96.4	162.2	0	0	0	114.5	D16	D16-L18 PolarHBondContact O-N 3.33Å
19	M	37	Very low	33.6	Very low	141 Å²	141	131.5 Å²	131.5	70%	0.695	72%	0.717	S	S	*	*	H	α-helix	trans	-110.9	-13.1	174.6	-71.5	-70.9	166	0	0	113.2	D16 D17	D16-M19 PolarHBondContact O-N 2.86Å; D17-M19 PolarHBondContact O-N 3.27Å
20	A	32.6	Very low	33.3	Very low	64 Å²	64	135.1 Å²	135.1	53%	0.529	73%	0.732	S	S	.	*	H	α-helix	trans	-73.6	-42.7	174.7	0	0	0	0	0	112.3	D16 D17 Q22 R23	D16-A20 PolarHBondContact O-N 2.91Å; D16-A20 VanDerWaalsContact O-N 3.14Å; D17-A20 PolarHBondContact O-N 3.1Å; A20-Q22 PolarHBondContact O-N 3.09Å; A20-R23 PolarHBondContact O-N 3.11Å
21	D	32.6	Very low	33	Very low	161 Å²	161	138.6 Å²	138.6	86%	0.861	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	14.5	-169.1	-132	25.2	0	0	0	114.8
22	Q	35	Very low	32.6	Very low	182 Å²	182	140.4 Å²	140.4	85%	0.85	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	21.7	177.8	-155.3	163.3	105.2	0	0	112.7	A20	A20-Q22 PolarHBondContact O-N 3.09Å
23	R	33.3	Very low	32.1	Very low	222 Å²	222	142.8 Å²	142.8	84%	0.838	76%	0.76	S	S	*	*	S	Bend	trans	-124.2	9.2	-178.8	-81.5	-175.7	170.4	-93.8	1	116.4	A20	A20-R23 PolarHBondContact O-N 3.11Å
24	M	36.5	Very low	31.7	Very low	183 Å²	183	146.2 Å²	146.2	90%	0.901	78%	0.775	S	S	*	*	S	Bend	trans	-128.7	99.5	166.6	-64.4	-157.9	-156.4	0	0	111.6
25	D	32	Very low	31.5	Very low	155 Å²	155	146 Å²	146	83%	0.829	78%	0.783	S	S	*	*	S	Bend	trans	-175	36.6	145	-106.4	-12.7	0	0	0	113.3
26	I	31.5	Very low	31.5	Very low	172 Å²	172	147 Å²	147	88%	0.882	79%	0.789	S	S	*	*	S	Bend	trans	-138.4	49.8	179.8	-36.6	177.9	0	0	0	112
27	S	29.3	Very low	31.1	Very low	121 Å²	121	146.5 Å²	146.5	85%	0.846	79%	0.794	S	S	*	*	S	Bend	trans	-159	44.7	178.1	-170	0	0	0	0	115.4
28	S	32	Very low	30.9	Very low	98 Å²	98	146.5 Å²	146.5	69%	0.685	81%	0.805	S	S	*	*	S	Bend	trans	-145.8	13.2	-169.7	45.4	0	0	0	0	118.4
29	T	31.3	Very low	30.6	Very low	133 Å²	133	146.2 Å²	146.2	82%	0.816	81%	0.808	S	S	*	*	S	Bend	trans	-144.8	42.8	174.7	62.5	0	0	0	0	116.3
30	M	29.4	Very low	30.1	Very low	191 Å²	191	146.4 Å²	146.4	94%	0.941	81%	0.812	S	S	*	*			trans	-153.3	50.9	168.1	-96.4	-139.2	162.5	0	0	114.8
31	T	28.8	Very low	29.9	Very low	134 Å²	134	150.8 Å²	150.8	82%	0.822	83%	0.826	S	S	*	*			trans	-141.5	78.7	170	52.6	0	0	0	0	111.9
32	D	27	Very low	29.7	Very low	152 Å²	152	150.8 Å²	150.8	81%	0.813	82%	0.824	S	S	*	*			trans	-155.3	154.5	156.9	-118	-35.9	0	0	0	110.9
33	F	25.7	Very low	29.2	Very low	195 Å²	195	146.7 Å²	146.7	86%	0.855	82%	0.816	S	S	*	*			trans	61.1	72.5	-177.3	-63.3	-79.6	0	0	0	118
34	M	26	Very low	28.8	Very low	183 Å²	183	141.1 Å²	141.1	90%	0.901	81%	0.811	S	S	*	*			trans	-146.9	104.8	150.9	-108.9	-64.9	153.7	0	0	112
35	S	28.4	Very low	28.2	Very low	114 Å²	114	138.5 Å²	138.5	80%	0.797	81%	0.81	S	S	*	*			trans	-177.2	149.7	166.5	-84.6	0	0	0	0	111.2
36	P	36	Very low	28.1	Very low	110 Å²	110	138.6 Å²	138.6	71%	0.714	81%	0.809	S	S	*	*			cis	-135	160.9	-36.3	38.9	-24.2	0	0	0	114
37	S	23.7	Very low	27.7	Very low	103 Å²	103	136.1 Å²	136.1	72%	0.72	81%	0.807	S	S	*	*			trans	20.5	127.4	152.8	60.8	0	0	0	0	121.7
38	S	26.2	Very low	27.7	Very low	126 Å²	126	136.5 Å²	136.5	88%	0.881	81%	0.805	S	S	*	*			trans	-149.6	109.1	138.9	-73.2	0	0	0	0	109.3
39	T	28	Very low	28	Very low	130 Å²	130	137.7 Å²	137.7	80%	0.798	81%	0.81	S	S	*	*			trans	-145.8	118.6	178	49.6	0	0	0	0	110.2
40	D	26.1	Very low	27.8	Very low	146 Å²	146	134.5 Å²	134.5	78%	0.781	80%	0.803	S	S	*	*			trans	-137.4	122.4	161.9	-92.6	-51.5	0	0	0	109.3
41	L	29.6	Very low	27.8	Very low	155 Å²	155	134.1 Å²	134.1	81%	0.812	80%	0.802	S	S	*	*			trans	39.5	146.7	133.5	-41.6	177	0	0	0	119.4
42	I	27.7	Very low	27.7	Very low	162 Å²	162	133.9 Å²	133.9	83%	0.831	80%	0.796	S	S	*	*			cis	-144	157.9	25.7	-62.3	165.4	0	0	0	110
43	S	24.7	Very low	27.8	Very low	95 Å²	95	136 Å²	136	66%	0.664	79%	0.793	S	S	*	*			trans	-92.8	142.5	178.9	55.4	0	0	0	0	116.1
44	S	24.5	Very low	27.8	Very low	106 Å²	106	131.7 Å²	131.7	74%	0.741	78%	0.779	S	S	*	*			trans	52.3	129.3	140.4	65.3	0	0	0	0	122.4
45	S	25	Very low	28	Very low	127 Å²	127	132.4 Å²	132.4	89%	0.888	77%	0.772	S	S	*	*				-167.9	142.9	114.6	37.2	0	0	0	0	115.3
46	I	28.4	Very low	28.1	Very low	158 Å²	158	134.6 Å²	134.6	81%	0.81	77%	0.767	S	S	*	*			trans	-52.9	142.3	-175.6	-69.6	149.1	0	0	0	116.6
47	S	24.7	Very low	27.9	Very low	119 Å²	119	140.7 Å²	140.7	83%	0.832	78%	0.776	S	S	*	*			trans	-163.9	124.4	131.6	24.2	0	0	0	0	113.4
48	T	28.4	Very low	28.4	Very low	130 Å²	130	145.5 Å²	145.5	80%	0.798	78%	0.784	S	S	*	*			trans	-119.8	172.9	169.5	35.5	0	0	0	0	108
49	P	39.3	Very low	28.4	Very low	122 Å²	122	142.5 Å²	142.5	79%	0.792	77%	0.772	S	S	*	*			cis	-136.9	176.8	12.5	43.3	-26.7	0	0	0	116.7
50	G	25.4	Very low	28.6	Very low	66 Å²	66	142.2 Å²	142.2	68%	0.68	78%	0.776	S	S	*	*				105.3	119.1	118.1	0	0	0	0	0	120.9
51	M	29.7	Very low	28.7	Very low	184 Å²	184	139.9 Å²	139.9	91%	0.906	77%	0.771	S	S	*	*			trans	84.6	134.2	145.4	-53.6	-166.6	73.3	0	0	120.8
52	D	27.6	Very low	29	Very low	129 Å²	129	138.6 Å²	138.6	69%	0.69	77%	0.77	S	S	*	*			trans	-72.8	159	175.2	-48.8	-106	0	0	0	113.5
53	Y	27.9	Very low	29.1	Very low	196 Å²	196	138.1 Å²	138.1	77%	0.769	77%	0.769	S	S	*	*				166.2	157.4	100.3	-96.4	-60.9	0	0	0	115.2
54	N	27.7	Very low	29.6	Very low	105 Å²	105	144.4 Å²	144.4	56%	0.561	78%	0.78	S	S	*	*			trans	75	121.1	146.9	-73.6	-32.3	0	0	0	118.8
55	R	28.9	Very low	30	Very low	198 Å²	198	147.3 Å²	147.3	75%	0.747	78%	0.781	S	S	*	*				73.1	147	77.8	-71.3	-177.2	-174	164.3	-0.8	112.8
56	K	30.1	Very low	30.4	Very low	160 Å²	160	147.9 Å²	147.9	70%	0.696	77%	0.773	S	S	*	*			cis	-169.8	152.2	4.7	-122	172.6	-172.6	176.4	0	110.6
57	R	32.7	Very low	30.4	Very low	237 Å²	237	147.8 Å²	147.8	89%	0.894	77%	0.774	S	S	*	*				168	129.4	127.7	-90.4	163.7	-172.9	-150.1	2.1	107.6
58	K	33.1	Very low	30.8	Very low	205 Å²	205	144.4 Å²	144.4	89%	0.891	76%	0.758	S	S	*	*			cis	74.8	127.6	47.6	-169.1	-172.2	179.6	-170.7	0	111.2
59	G	27.7	Very low	30.9	Very low	62 Å²	62	147.8 Å²	147.8	64%	0.639	76%	0.762	S	S	*	*			cis	-157.2	170	2	0	0	0	0	0	110.3
60	S	30.7	Very low	30.8	Very low	124 Å²	124	147.2 Å²	147.2	87%	0.867	76%	0.761	S	S	*	*				55.5	95.9	75.9	-179.4	0	0	0	0	114.8
61	S	29.9	Very low	31.2	Very low	98 Å²	98	153 Å²	153	69%	0.685	77%	0.768	S	S	*	*				-157.5	148.8	119.3	-152.7	0	0	0	0	111.4
62	T	34.8	Very low	31.9	Very low	127 Å²	127	150.4 Å²	150.4	78%	0.779	76%	0.758	S	S	*	*			trans	-78.1	146.4	148.9	46.2	0	0	0	0	108.4
63	D	29.6	Very low	32.3	Very low	153 Å²	153	152 Å²	152	82%	0.818	77%	0.766	S	S	*	*			trans	-143.9	152.6	157.3	-94.9	-52.1	0	0	0	111.1
64	Y	34.8	Very low	33.4	Very low	226 Å²	226	149.9 Å²	149.9	89%	0.886	77%	0.765	S	S	*	*			trans	-94.6	164.2	173.4	-91	-98.7	0	0	0	110.2
65	Q	33.8	Very low	33.9	Very low	167 Å²	167	152.6 Å²	152.6	78%	0.78	78%	0.78	S	S	*	*			trans	84.3	106	150.2	-154.5	164.6	16.3	0	0	117.9
66	I	32.7	Very low	35.3	Very low	139 Å²	139	147.7 Å²	147.7	71%	0.713	77%	0.774	S	S	*	*			trans	57.2	124.3	132.9	-59.3	175.1	0	0	0	116.6
67	D	30.1	Very low	36.2	Very low	156 Å²	156	147.5 Å²	147.5	83%	0.834	78%	0.78	S	S	*	*			cis	-157.8	174.2	30.4	-143.3	-26.3	0	0	0	113
68	G	31.8	Very low	36.9	Very low	48 Å²	48	146.1 Å²	146.1	50%	0.495	78%	0.781	S	S	.	*			trans	96.1	108.6	141.7	0	0	0	0	0	121.6
69	F	30.8	Very low	37.7	Very low	201 Å²	201	143.6 Å²	143.6	88%	0.882	78%	0.777	S	S	*	*			trans	68.2	116	140	-58.4	-76.1	0	0	0	123.2
70	S	37.5	Very low	38.8	Very low	111 Å²	111	150.4 Å²	150.4	78%	0.776	79%	0.789	S	S	*	*			trans	6	148.7	136.7	-42.9	0	0	0	0	119.9
71	F	33.7	Very low	39.6	Very low	188 Å²	188	152.4 Å²	152.4	83%	0.825	79%	0.789	S	S	*	*				-163.8	166.2	53	179.8	-103	0	0	0	112.5
72	D	45.1	Very low	40.6	Very low	128 Å²	128	149.9 Å²	149.9	68%	0.684	78%	0.779	S	S	*	*			trans	-68.4	162.6	-179.6	-56.7	-95.1	0	0	0	115
73	D	35.2	Very low	41.4	Very low	162 Å²	162	148.3 Å²	148.3	87%	0.866	77%	0.773	S	S	*	*				-151.2	159.8	117.8	-150.9	-3.9	0	0	0	111.4
74	M	51.5	Low	42.6	Very low	153 Å²	153	147.1 Å²	147.1	75%	0.754	77%	0.766	S	S	*	*			trans	-136.6	134.3	-172.4	-179.4	-162.8	-60.6	0	0	111.2	P76	M74-P76 HydrophobicContact CG-CG 4.36Å; M74-P76 HydrophobicContact SD-CG 4.29Å
75	D	38.3	Very low	43.6	Very low	161 Å²	161	142.8 Å²	142.8	86%	0.861	75%	0.754	S	S	*	*			trans	-144.9	115.3	162.3	-167.5	14	0	0	0	111.8
76	P	57	Low	44.7	Very low	96 Å²	96	140.3 Å²	140.3	62%	0.623	74%	0.742	S	S	*	*			trans	-123.4	103.4	-176.1	37.4	-22.1	0	0	0	114.3	M74	M74-P76 HydrophobicContact CG-CG 4.36Å; M74-P76 HydrophobicContact SD-CG 4.29Å
77	D	50.2	Low	45.9	Very low	155 Å²	155	135.5 Å²	135.5	83%	0.829	73%	0.727	S	S	*	*			trans	-157.2	110.5	157	-138.3	-18.9	0	0	0	115.4
78	K	46.5	Very low	47.3	Very low	208 Å²	208	137.5 Å²	137.5	90%	0.904	72%	0.723	S	S	*	*			trans	-165.5	16.2	163.2	-123	159.7	-169.5	162.5	0	117.6	K80	K78-K80 PolarHBondContact O-N 2.84Å; K78-K80 VanDerWaalsContact O-N 3.12Å
79	D	49.8	Very low	48.8	Very low	153 Å²	153	138.4 Å²	138.4	82%	0.818	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	89.3	-174.4	-97.7	-40.7	0	0	0	113.9
80	K	50.5	Low	50.4	Low	204 Å²	204	135.4 Å²	135.4	89%	0.887	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.9	8.4	156.7	-115.6	149	-167.8	166.4	0	118.8	K78	K78-K80 PolarHBondContact O-N 2.84Å; K78-K80 VanDerWaalsContact O-N 3.12Å
81	L	48.3	Very low	51.8	Low	167 Å²	167	135.5 Å²	135.5	87%	0.874	69%	0.694	S	S	*	*	S	Bend	trans	-126.1	10.1	177	-149.6	70.9	0	0	0	114.8
82	G	50.4	Low	53.4	Low	45 Å²	45	129.6 Å²	129.6	46%	0.464	68%	0.68	S	S	.	*	S	Bend	trans	-84.9	-25.6	-175.9	0	0	0	0	0	116.3	Q86	G82-Q86 PolarHBondContact O-N 2.78Å
83	S	52.2	Low	54.8	Low	94 Å²	94	132.1 Å²	132.1	66%	0.657	68%	0.68	S	S	*	*	H	α-helix	trans	-59.5	-55.5	-167.8	177.8	0	0	0	0	113.7	H85 Q86 G87	S83-H85 PolarHBondContact O-N 3.45Å; S83-Q86 WeakPolarHBondContact O-CB 3.43Å; S83-Q86 PolarHBondContact O-N 2.8Å; S83-Q86 VanDerWaalsContact O-N 3.12Å; S83-G87 PolarHBondContact O-N 3.21Å
84	D	53.9	Low	57	Low	127 Å²	127	129.7 Å²	129.7	68%	0.679	66%	0.663	S	S	*	*	H	α-helix	trans	-73.7	-29	-166.8	-62.6	-9.6	0	0	0	112.9	G87 R88	D84-G87 PolarHBondContact O-N 2.91Å; D84-R88 PolarHBondContact O-N 2.63Å
85	H	55.3	Low	58.5	Low	136 Å²	136	124.8 Å²	124.8	63%	0.63	65%	0.647	S	S	*	*	H	α-helix	trans	-64.8	-46.5	169.7	-107.5	83	0	0	0	110.9	S83 G87 R88 I89	S83-H85 PolarHBondContact O-N 3.45Å; H85-G87 VanDerWaalsContact C-N 3.28Å; H85-G87 PolarHBondContact O-N 2.79Å; H85-R88 PolarHBondContact O-N 2.81Å; H85-I89 WeakPolarHBondContact O-CB 3.37Å; H85-I89 WeakPolarHBondContact O-CD1 3.44Å; H85-I89 VanDerWaalsContact O-CG1 3.24Å; H85-I89 WeakPolarHBondContact O-CG1 3Å; H85-I89 PolarHBondContact O-N 3.31Å
86	Q	58.4	Low	60.8	Low	114 Å²	114	123.3 Å²	123.3	53%	0.533	64%	0.635	S	S	.	*	H	α-helix	trans	-64.2	-34.6	177.9	-158.7	74	-40	0	0	111.9	G82 S83 K90	G82-Q86 PolarHBondContact O-N 2.78Å; S83-Q86 WeakPolarHBondContact O-CB 3.43Å; S83-Q86 PolarHBondContact O-N 2.8Å; S83-Q86 VanDerWaalsContact O-N 3.12Å; Q86-K90 WeakPolarHBondContact O-CG 3.26Å; Q86-K90 PolarHBondContact O-N 3.41Å; Q86-K90 VanDerWaalsContact O-N 3.14Å
87	G	57.8	Low	62.4	Low	38 Å²	38	122 Å²	122	39%	0.392	63%	0.628	S	S	.	*	H	α-helix	trans	-63.8	-51.8	171.9	0	0	0	0	0	113.2	S83 D84 H85 I89 K90 N91	S83-G87 PolarHBondContact O-N 3.21Å; D84-G87 PolarHBondContact O-N 2.91Å; H85-G87 VanDerWaalsContact C-N 3.28Å; H85-G87 PolarHBondContact O-N 2.79Å; G87-I89 VanDerWaalsContact C-N 3.34Å; G87-I89 PolarHBondContact O-N 3.32Å; G87-K90 PolarHBondContact O-N 3Å; G87-N91 PolarHBondContact O-N 3.19Å
88	R	59.9	Low	64.3	Low	199 Å²	199	119.9 Å²	119.9	75%	0.751	61%	0.613	S	S	*	*	H	α-helix	trans	-60	-41.6	176.9	-78.3	-175.4	175	-176.7	-0.1	112.5	D84 H85 K90 N91 A92	D84-R88 PolarHBondContact O-N 2.63Å; H85-R88 PolarHBondContact O-N 2.81Å; R88-K90 PolarHBondContact O-N 3.24Å; R88-N91 PolarHBondContact O-N 2.99Å; R88-A92 WeakPolarHBondContact O-CB 3.31Å; R88-A92 PolarHBondContact O-N 3.47Å
89	I	61.7	Low	66.5	Low	66 Å²	66	114.4 Å²	114.4	34%	0.338	59%	0.592	S	S	.	*	H	α-helix	trans	-64	-39.8	178.3	-69	165.1	0	0	0	111.4	H85 G87 R93	H85-I89 WeakPolarHBondContact O-CB 3.37Å; H85-I89 WeakPolarHBondContact O-CD1 3.44Å; H85-I89 VanDerWaalsContact O-CG1 3.24Å; H85-I89 WeakPolarHBondContact O-CG1 3Å; H85-I89 PolarHBondContact O-N 3.31Å; G87-I89 VanDerWaalsContact C-N 3.34Å; G87-I89 PolarHBondContact O-N 3.32Å; I89-R93 WeakPolarHBondContact O-CB 3.48Å; I89-R93 VanDerWaalsContact O-CG 3.26Å; I89-R93 WeakPolarHBondContact O-CG 3.48Å; I89-R93 PolarHBondContact O-N 3.05Å; I89-R93 VanDerWaalsContact O-N 3.1Å
90	K	65.1	Low	68.5	Low	139 Å²	139	109.6 Å²	109.6	60%	0.604	57%	0.565	S	S	*	*	H	α-helix	trans	-64.2	-47.6	174	-76.1	174.4	178.2	-179.3	0	111.9	Q86 G87 R88 A92 R93 E94	Q86-K90 WeakPolarHBondContact O-CG 3.26Å; Q86-K90 PolarHBondContact O-N 3.41Å; Q86-K90 VanDerWaalsContact O-N 3.14Å; G87-K90 PolarHBondContact O-N 3Å; R88-K90 PolarHBondContact O-N 3.24Å; K90-A92 PolarHBondContact O-N 3.39Å; K90-R93 WeakPolarHBondContact O-CB 3.18Å; K90-R93 PolarHBondContact O-N 3.34Å; K90-E94 PolarHBondContact O-N 3.49Å
91	N	66.8	Low	70.6	Confident	113 Å²	113	105.6 Å²	105.6	60%	0.604	55%	0.548	S	S	*	.	H	α-helix	trans	-64	-42.2	-178.9	-163.6	-59.4	0	0	0	112	G87 R88 R93 E94 A95	G87-N91 PolarHBondContact O-N 3.19Å; R88-N91 PolarHBondContact O-N 2.99Å; N91-R93 PolarHBondContact O-N 3.33Å; N91-E94 WeakPolarHBondContact O-CB 3.23Å; N91-E94 PolarHBondContact O-N 3.06Å; N91-E94 VanDerWaalsContact O-N 3.14Å; N91-A95 PolarHBondContact O-N 3.34Å
92	A	68.3	Low	72.8	Confident	63 Å²	63	105.7 Å²	105.7	52%	0.521	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-39.8	173.9	0	0	0	0	0	113	R88 K90 E94 H96	R88-A92 WeakPolarHBondContact O-CB 3.31Å; R88-A92 PolarHBondContact O-N 3.47Å; K90-A92 PolarHBondContact O-N 3.39Å; A92-E94 VanDerWaalsContact C-N 3.32Å; A92-H96 PolarHBondContact O-N 3.15Å; A92-H96 VanDerWaalsContact O-N 3.09Å
93	R	74.4	Confident	75	Confident	181 Å²	181	110.3 Å²	110.3	68%	0.683	54%	0.54	S	S	*	.	H	α-helix	trans	-64.8	-35.6	172.7	-75.5	173.1	178.7	-176	1.2	112.1	I89 K90 N91 H96 S97	I89-R93 WeakPolarHBondContact O-CB 3.48Å; I89-R93 VanDerWaalsContact O-CG 3.26Å; I89-R93 WeakPolarHBondContact O-CG 3.48Å; I89-R93 PolarHBondContact O-N 3.05Å; I89-R93 VanDerWaalsContact O-N 3.1Å; K90-R93 WeakPolarHBondContact O-CB 3.18Å; K90-R93 PolarHBondContact O-N 3.34Å; N91-R93 PolarHBondContact O-N 3.33Å; R93-H96 PolarHBondContact O-N 2.84Å; R93-S97 WeakPolarHBondContact O-CB 3.38Å; R93-S97 PolarHBondContact O-N 3.18Å
94	E	81.5	Confident	77	Confident	112 Å²	112	111.1 Å²	111.1	52%	0.523	53%	0.528	S	S	.	.	H	α-helix	trans	-68.9	-44.6	176.6	-171.7	170.6	174.2	0	0	112	K90 N91 A92 H96 S97 Q98	K90-E94 PolarHBondContact O-N 3.49Å; N91-E94 WeakPolarHBondContact O-CB 3.23Å; N91-E94 PolarHBondContact O-N 3.06Å; N91-E94 VanDerWaalsContact O-N 3.14Å; A92-E94 VanDerWaalsContact C-N 3.32Å; E94-H96 VanDerWaalsContact C-N 3.31Å; E94-H96 PolarHBondContact O-N 2.8Å; E94-S97 WeakPolarHBondContact O-CA 3.49Å; E94-S97 WeakPolarHBondContact O-CB 3.43Å; E94-S97 PolarHBondContact O-N 3.31Å; E94-Q98 WeakPolarHBondContact O-CG 3.25Å; E94-Q98 PolarHBondContact O-N 3.3Å
95	A	82.8	Confident	79	Confident	49 Å²	49	108.9 Å²	108.9	41%	0.405	52%	0.516	S	S	.	.	H	α-helix	trans	-56.5	-44.9	172.8	0	0	0	0	0	111.7	N91 S97 Q98 I99	N91-A95 PolarHBondContact O-N 3.34Å; A95-S97 PolarHBondContact O-N 3.21Å; A95-Q98 PolarHBondContact O-N 3.42Å; A95-I99 VanDerWaalsContact O-CG1 3.32Å; A95-I99 WeakPolarHBondContact O-CG1 3.46Å; A95-I99 PolarHBondContact O-N 3.04Å
96	H	86.6	Confident	80.9	Confident	131 Å²	131	108.8 Å²	108.8	61%	0.606	51%	0.514	S	S	*	.	H	α-helix	trans	-64	-38.4	174.2	-167.9	-58.2	0	0	0	112.5	A92 R93 E94 I99 E100	A92-H96 PolarHBondContact O-N 3.15Å; A92-H96 VanDerWaalsContact O-N 3.09Å; R93-H96 PolarHBondContact O-N 2.84Å; E94-H96 VanDerWaalsContact C-N 3.31Å; E94-H96 PolarHBondContact O-N 2.8Å; H96-I99 PolarHBondContact O-N 3.39Å; H96-E100 WeakPolarHBondContact O-CB 3.43Å; H96-E100 PolarHBondContact O-N 2.99Å
97	S	90.2	Very high	82.6	Confident	68 Å²	68	107.5 Å²	107.5	48%	0.476	51%	0.509	S	S	.	.	H	α-helix	trans	-64.2	-40.8	176	-172.5	0	0	0	0	112	R93 E94 A95 E100 K101	R93-S97 WeakPolarHBondContact O-CB 3.38Å; R93-S97 PolarHBondContact O-N 3.18Å; E94-S97 WeakPolarHBondContact O-CA 3.49Å; E94-S97 WeakPolarHBondContact O-CB 3.43Å; E94-S97 PolarHBondContact O-N 3.31Å; A95-S97 PolarHBondContact O-N 3.21Å; S97-E100 PolarHBondContact O-N 2.64Å; S97-K101 WeakPolarHBondContact O-CB 3.48Å; S97-K101 PolarHBondContact O-N 2.8Å
98	Q	90.4	Very high	84.3	Confident	110 Å²	110	107.6 Å²	107.6	51%	0.514	50%	0.501	S	S	.	.	H	α-helix	trans	-69.8	-33	175.3	-67.1	-168.5	30.9	0	0	112.8	E94 A95 R102	E94-Q98 WeakPolarHBondContact O-CG 3.25Å; E94-Q98 PolarHBondContact O-N 3.3Å; A95-Q98 PolarHBondContact O-N 3.42Å; Q98-R102 WeakPolarHBondContact O-CG 3.28Å; Q98-R102 PolarHBondContact O-N 3Å
99	I	91.4	Very high	86	Confident	93 Å²	93	101.6 Å²	101.6	48%	0.477	49%	0.489	S	S	.	.	H	α-helix	trans	-64.6	-48.3	170.3	-69.5	163.5	0	0	0	110.2	A95 H96 K101 R102 R103	A95-I99 VanDerWaalsContact O-CG1 3.32Å; A95-I99 WeakPolarHBondContact O-CG1 3.46Å; A95-I99 PolarHBondContact O-N 3.04Å; H96-I99 PolarHBondContact O-N 3.39Å; I99-K101 VanDerWaalsContact C-N 3.31Å; I99-K101 PolarHBondContact O-N 2.81Å; I99-R102 PolarHBondContact O-N 3.38Å; I99-R103 PolarHBondContact O-N 2.8Å
100	E	93.3	Very high	87.6	Confident	53 Å²	53	103.9 Å²	103.9	25%	0.248	50%	0.497	C	S	.	.	H	α-helix	trans	-68.7	-27.8	178.8	-179.4	53.5	-154.7	0	0	112.8	H96 S97 R103 R104	H96-E100 WeakPolarHBondContact O-CB 3.43Å; H96-E100 PolarHBondContact O-N 2.99Å; S97-E100 PolarHBondContact O-N 2.64Å; E100-R103 IonicContact OE1-CZ 2.77Å; E100-R103 IonicContact OE1-NE 3.32Å; E100-R103 IonicContact OE1-NH2 3.45Å; E100-R103 PolarHBondContact OE1-NH2 2.85Å; E100-R103 IonicContact OE2-CZ 3.61Å; E100-R103 IonicContact OE2-NE 3.54Å; E100-R103 PolarHBondContact OE2-NE 2.81Å; E100-R103 IonicContact OE2-NH2 2.71Å; E100-R103 PolarHBondContact OE2-NH2 3.4Å; E100-R104 WeakPolarHBondContact O-CB 3.37Å; E100-R104 WeakPolarHBondContact O-CG 3.42Å; E100-R104 PolarHBondContact O-N 2.9Å; E100-R104 VanDerWaalsContact O-N 3.1Å; E100-R104 PolarHBondContact O-NE 3.11Å; E100-R104 WeakPolarHBondContact OE1-CG 3.46Å; E100-R104 IonicContact OE1-NE 2.72Å
101	K	94.6	Very high	89	Confident	120 Å²	120	98.2 Å²	98.2	52%	0.522	47%	0.473	S	S	.	.	H	α-helix	trans	-63.6	-55.8	167.2	-175.5	-179.2	174.7	-172.5	0	110.3	S97 I99 R103 R104 D105	S97-K101 WeakPolarHBondContact O-CB 3.48Å; S97-K101 PolarHBondContact O-N 2.8Å; I99-K101 VanDerWaalsContact C-N 3.31Å; I99-K101 PolarHBondContact O-N 2.81Å; K101-R103 PolarHBondContact O-N 3.47Å; K101-R104 PolarHBondContact O-N 2.83Å; K101-D105 VanDerWaalsContact CE-OD2 3.3Å; K101-D105 WeakPolarHBondContact CE-OD2 3.27Å; K101-D105 WeakPolarHBondContact CG-OD2 3.31Å; K101-D105 VanDerWaalsContact O-CG 3.28Å; K101-D105 PolarHBondContact O-N 3.14Å
102	R	94.6	Very high	90.2	Very high	169 Å²	169	96.2 Å²	96.2	64%	0.638	46%	0.463	S	S	*	.	H	α-helix	trans	-57.4	-35.7	178	-73.6	-174.6	-68.3	163.3	-3.2	112.9	Q98 I99 K106	Q98-R102 WeakPolarHBondContact O-CG 3.28Å; Q98-R102 PolarHBondContact O-N 3Å; I99-R102 PolarHBondContact O-N 3.38Å; R102-K106 WeakPolarHBondContact O-CB 3.41Å; R102-K106 PolarHBondContact O-N 3.11Å
103	R	95.4	Very high	91.4	Very high	142 Å²	142	98 Å²	98	54%	0.536	46%	0.46	S	S	.	.	H	α-helix	trans	-64.3	-45.9	174.5	-164.5	-174.7	71.5	91.7	5.5	111.8	I99 E100 K101 M107	I99-R103 PolarHBondContact O-N 2.8Å; E100-R103 IonicContact OE1-CZ 2.77Å; E100-R103 IonicContact OE1-NE 3.32Å; E100-R103 IonicContact OE1-NH2 3.45Å; E100-R103 PolarHBondContact OE1-NH2 2.85Å; E100-R103 IonicContact OE2-CZ 3.61Å; E100-R103 IonicContact OE2-NE 3.54Å; E100-R103 PolarHBondContact OE2-NE 2.81Å; E100-R103 IonicContact OE2-NH2 2.71Å; E100-R103 PolarHBondContact OE2-NH2 3.4Å; K101-R103 PolarHBondContact O-N 3.47Å; R103-M107 VanDerWaalsContact O-CB 3.27Å; R103-M107 WeakPolarHBondContact O-CB 3.31Å; R103-M107 PolarHBondContact O-N 2.93Å
104	R	94.8	Very high	92.3	Very high	111 Å²	111	92 Å²	92	42%	0.419	44%	0.441	S	S	.	.	H	α-helix	trans	-66	-41.6	175.9	-73.9	175.4	-66.9	154.9	-3.8	112.2	E100 K101 M107 N108	E100-R104 WeakPolarHBondContact O-CB 3.37Å; E100-R104 WeakPolarHBondContact O-CG 3.42Å; E100-R104 PolarHBondContact O-N 2.9Å; E100-R104 VanDerWaalsContact O-N 3.1Å; E100-R104 PolarHBondContact O-NE 3.11Å; E100-R104 WeakPolarHBondContact OE1-CG 3.46Å; E100-R104 IonicContact OE1-NE 2.72Å; K101-R104 PolarHBondContact O-N 2.83Å; R104-M107 PolarHBondContact O-N 2.82Å; R104-N108 PolarHBondContact O-N 3.29Å; R104-N108 PolarHBondContact O-ND2 3Å; R104-N108 PolarHBondContact O-OD1 3.25Å
105	D	95.3	Very high	92.8	Very high	79 Å²	79	87.6 Å²	87.6	42%	0.422	42%	0.424	S	S	.	.	H	α-helix	trans	-65.6	-43.7	179.6	-63.5	-17.9	0	0	0	110.9	K101 N108 S109	K101-D105 VanDerWaalsContact CE-OD2 3.3Å; K101-D105 WeakPolarHBondContact CE-OD2 3.27Å; K101-D105 WeakPolarHBondContact CG-OD2 3.31Å; K101-D105 VanDerWaalsContact O-CG 3.28Å; K101-D105 PolarHBondContact O-N 3.14Å; D105-N108 WeakPolarHBondContact O-CB 3.31Å; D105-N108 PolarHBondContact O-N 3.5Å; D105-S109 PolarHBondContact O-N 3.44Å
106	K	95.3	Very high	93	Very high	134 Å²	134	88.1 Å²	88.1	58%	0.583	42%	0.424	S	S	*	.	H	α-helix	trans	-64.2	-39.7	172.4	-174	169.5	-177.6	173.5	0	112.6	R102 N108 S109 F110	R102-K106 WeakPolarHBondContact O-CB 3.41Å; R102-K106 PolarHBondContact O-N 3.11Å; K106-N108 VanDerWaalsContact C-N 3.32Å; K106-N108 PolarHBondContact O-N 3.34Å; K106-S109 WeakPolarHBondContact O-CB 3.5Å; K106-S109 PolarHBondContact O-N 3.43Å; K106-F110 HydrophobicContact CD-CE2 4.23Å; K106-F110 HydrophobicContact CD-CZ 4.39Å; K106-F110 HydrophobicContact CG-CD2 4.26Å; K106-F110 HydrophobicContact CG-CE2 3.87Å; K106-F110 HydrophobicContact CG-CZ 4.24Å; K106-F110 PolarHBondContact O-N 3.1Å
107	M	94.3	Very high	93.1	Very high	87 Å²	87	87.7 Å²	87.7	43%	0.429	43%	0.426	S	S	.	.	H	α-helix	trans	-63.5	-37.4	174.3	-176.2	-178.4	72.1	0	0	111.9	R103 R104 F110 I111	R103-M107 VanDerWaalsContact O-CB 3.27Å; R103-M107 WeakPolarHBondContact O-CB 3.31Å; R103-M107 PolarHBondContact O-N 2.93Å; R104-M107 PolarHBondContact O-N 2.82Å; M107-F110 PolarHBondContact O-N 2.97Å; M107-I111 VanDerWaalsContact O-CG1 3.32Å; M107-I111 WeakPolarHBondContact O-CG1 3.25Å; M107-I111 PolarHBondContact O-N 2.96Å; M107-I111 VanDerWaalsContact O-N 3.13Å
108	N	94.3	Very high	92.9	Very high	41 Å²	41	84.7 Å²	84.7	22%	0.219	41%	0.405	C	S	.	.	H	α-helix	trans	-64.2	-44.7	174.3	-61.6	-28.1	0	0	0	110.8	R104 D105 K106 F110 I111 D112 K130	R104-N108 PolarHBondContact O-N 3.29Å; R104-N108 PolarHBondContact O-ND2 3Å; R104-N108 PolarHBondContact O-OD1 3.25Å; D105-N108 WeakPolarHBondContact O-CB 3.31Å; D105-N108 PolarHBondContact O-N 3.5Å; K106-N108 VanDerWaalsContact C-N 3.32Å; K106-N108 PolarHBondContact O-N 3.34Å; N108-F110 VanDerWaalsContact C-N 3.34Å; N108-F110 PolarHBondContact O-N 3.26Å; N108-I111 PolarHBondContact O-N 3.05Å; N108-I111 VanDerWaalsContact O-N 3.07Å; N108-D112 PolarHBondContact O-N 3.03Å; N108-K130 PolarHBondContact OD1-NZ 3.21Å
109	S	95.4	Very high	92.4	Very high	73 Å²	73	83 Å²	83	51%	0.51	40%	0.404	S	S	.	.	H	α-helix	trans	-54.9	-47.6	175.3	-163.9	0	0	0	0	111.8	D105 K106 I111 D112 E113	D105-S109 PolarHBondContact O-N 3.44Å; K106-S109 WeakPolarHBondContact O-CB 3.5Å; K106-S109 PolarHBondContact O-N 3.43Å; S109-I111 VanDerWaalsContact C-N 3.3Å; S109-I111 PolarHBondContact O-N 2.72Å; S109-D112 PolarHBondContact O-N 3.25Å; S109-E113 VanDerWaalsContact O-CB 3.27Å; S109-E113 WeakPolarHBondContact O-CB 3.38Å; S109-E113 PolarHBondContact O-N 3.22Å
110	F	95.6	Very high	91.9	Very high	114 Å²	114	82.3 Å²	82.3	50%	0.5	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-28.7	177	-70	-38.7	0	0	0	113.9	K106 M107 N108 L114	K106-F110 HydrophobicContact CD-CE2 4.23Å; K106-F110 HydrophobicContact CD-CZ 4.39Å; K106-F110 HydrophobicContact CG-CD2 4.26Å; K106-F110 HydrophobicContact CG-CE2 3.87Å; K106-F110 HydrophobicContact CG-CZ 4.24Å; K106-F110 PolarHBondContact O-N 3.1Å; M107-F110 PolarHBondContact O-N 2.97Å; N108-F110 VanDerWaalsContact C-N 3.34Å; N108-F110 PolarHBondContact O-N 3.26Å; F110-L114 WeakPolarHBondContact O-CB 3.05Å; F110-L114 PolarHBondContact O-N 3.02Å
111	I	94.6	Very high	91.5	Very high	19 Å²	19	80 Å²	80	10%	0.097	39%	0.393	C	S	.	.	H	α-helix	trans	-76.5	-39.4	175.6	-66.6	-69.3	0	0	0	111.2	M107 N108 S109 L114 A115 K130 V133 L134	M107-I111 VanDerWaalsContact O-CG1 3.32Å; M107-I111 WeakPolarHBondContact O-CG1 3.25Å; M107-I111 PolarHBondContact O-N 2.96Å; M107-I111 VanDerWaalsContact O-N 3.13Å; N108-I111 PolarHBondContact O-N 3.05Å; N108-I111 VanDerWaalsContact O-N 3.07Å; S109-I111 VanDerWaalsContact C-N 3.3Å; S109-I111 PolarHBondContact O-N 2.72Å; I111-L114 PolarHBondContact O-N 3.37Å; I111-A115 WeakPolarHBondContact O-CB 3.49Å; I111-A115 PolarHBondContact O-N 2.86Å; I111-K130 HydrophobicContact CG2-CB 4.03Å; I111-K130 HydrophobicContact CG2-CG 4Å; I111-V133 HydrophobicContact CG2-CB 4.26Å; I111-V133 HydrophobicContact CG2-CG1 4.17Å; I111-L134 HydrophobicContact CD1-CD1 3.94Å; I111-L134 HydrophobicContact CD1-CD2 3.68Å; I111-L134 HydrophobicContact CD1-CG 3.71Å
112	D	90.9	Very high	90.9	Very high	72 Å²	72	79.4 Å²	79.4	39%	0.385	40%	0.396	S	S	.	.	H	α-helix	trans	-70.7	-35	177	-73.3	-29.3	0	0	0	111.5	N108 S109 A115 S116 K127	N108-D112 PolarHBondContact O-N 3.03Å; S109-D112 PolarHBondContact O-N 3.25Å; D112-A115 WeakPolarHBondContact O-CB 3.4Å; D112-A115 PolarHBondContact O-N 2.76Å; D112-S116 PolarHBondContact O-N 3.06Å; D112-K127 IonicContact OD1-NZ 2.64Å; D112-K127 PolarHBondContact OD1-NZ 3.14Å; D112-K127 IonicContact OD2-NZ 2.8Å; D112-K127 PolarHBondContact OD2-NZ 3.3Å
113	E	94.7	Very high	90.1	Very high	101 Å²	101	75.5 Å²	75.5	47%	0.472	40%	0.399	S	S	.	.	H	α-helix	trans	-66.9	-43.2	169.7	-177.4	179.4	-165.9	0	0	112.3	S109 A115 S116 L117	S109-E113 VanDerWaalsContact O-CB 3.27Å; S109-E113 WeakPolarHBondContact O-CB 3.38Å; S109-E113 PolarHBondContact O-N 3.22Å; E113-A115 PolarHBondContact O-N 2.94Å; E113-S116 PolarHBondContact O-N 3.38Å; E113-S116 PolarHBondContact O-OG 3.45Å; E113-L117 HydrophobicContact CG-CD1 4.26Å; E113-L117 WeakPolarHBondContact O-CG 3.34Å; E113-L117 PolarHBondContact O-N 3.34Å; E113-L117 VanDerWaalsContact O-N 3.14Å
114	L	92.5	Very high	89.4	Confident	55 Å²	55	73 Å²	73	29%	0.288	40%	0.395	S	S	.	.	H	α-helix	trans	-63.6	-28.4	173.5	-177.4	62.2	0	0	0	112.3	F110 I111 V118 V133 L134 A137	F110-L114 WeakPolarHBondContact O-CB 3.05Å; F110-L114 PolarHBondContact O-N 3.02Å; I111-L114 PolarHBondContact O-N 3.37Å; L114-V118 HydrophobicContact CD1-CG2 4.11Å; L114-V118 VanDerWaalsContact O-CG2 3.29Å; L114-V118 WeakPolarHBondContact O-CG2 3.48Å; L114-V118 PolarHBondContact O-N 3.02Å; L114-V133 HydrophobicContact CG-CG1 4.44Å; L114-L134 HydrophobicContact CD2-CD2 4.02Å; L114-A137 HydrophobicContact CD1-CB 4.02Å; L114-A137 HydrophobicContact CD2-CB 3.75Å; L114-A137 HydrophobicContact CG-CB 3.89Å
115	A	91.2	Very high	88.2	Confident	19 Å²	19	73.8 Å²	73.8	16%	0.157	42%	0.418	C	S	.	.	H	α-helix	trans	-71.5	-35.5	176.3	0	0	0	0	0	112.8	I111 D112 E113 C121 N122 V133	I111-A115 WeakPolarHBondContact O-CB 3.49Å; I111-A115 PolarHBondContact O-N 2.86Å; D112-A115 WeakPolarHBondContact O-CB 3.4Å; D112-A115 PolarHBondContact O-N 2.76Å; E113-A115 PolarHBondContact O-N 2.94Å; A115-C121 HydrophobicContact CB-CB 4.32Å; A115-C121 WeakPolarHBondContact O-CB 3.42Å; A115-N122 PolarHBondContact O-N 3.38Å; A115-N122 VanDerWaalsContact O-N 3.14Å; A115-V133 HydrophobicContact CB-CG1 3.91Å; A115-V133 HydrophobicContact CB-CG2 4.06Å
116	S	88.5	Confident	87.6	Confident	59 Å²	59	80 Å²	80	41%	0.413	44%	0.435	S	S	.	.	H	α-helix	trans	-76.5	-32.3	175.6	62.5	0	0	0	0	112.8	D112 E113 N122	D112-S116 PolarHBondContact O-N 3.06Å; E113-S116 PolarHBondContact O-N 3.38Å; E113-S116 PolarHBondContact O-OG 3.45Å; S116-N122 WeakPolarHBondContact O-CB 3.49Å; S116-N122 PolarHBondContact O-ND2 2.91Å
117	L	87.4	Confident	86.9	Confident	122 Å²	122	81.1 Å²	81.1	64%	0.639	44%	0.44	S	S	*	.	H	α-helix	trans	-73.8	-23.3	177.7	-69.2	173.1	0	0	0	114.4	E113 P119	E113-L117 HydrophobicContact CG-CD1 4.26Å; E113-L117 WeakPolarHBondContact O-CG 3.34Å; E113-L117 PolarHBondContact O-N 3.34Å; E113-L117 VanDerWaalsContact O-N 3.14Å; L117-P119 WeakPolarHBondContact O-CD 3.3Å
118	V	87.6	Confident	86.5	Confident	5 Å²	5	78.8 Å²	78.8	3%	0.03	43%	0.429	C	S	.	.	S	Bend	trans	-92.3	114.1	178.3	173.3	0	0	0	0	109.4	L114 T120 C121 N122 A137 H140	L114-V118 HydrophobicContact CD1-CG2 4.11Å; L114-V118 VanDerWaalsContact O-CG2 3.29Å; L114-V118 WeakPolarHBondContact O-CG2 3.48Å; L114-V118 PolarHBondContact O-N 3.02Å; V118-T120 VanDerWaalsContact C-N 3.28Å; V118-T120 PolarHBondContact O-N 3.25Å; V118-T120 VanDerWaalsContact O-N 3.15Å; V118-C121 HydrophobicContact CB-CB 4.04Å; V118-C121 HydrophobicContact CG1-CB 4.16Å; V118-C121 WeakPolarHBondContact O-CA 3.44Å; V118-C121 WeakPolarHBondContact O-CB 3.47Å; V118-C121 PolarHBondContact O-N 3.42Å; V118-N122 PolarHBondContact O-N 3.48Å; V118-A137 HydrophobicContact CG2-CB 3.88Å; V118-H140 HydrophobicContact CG1-CB 3.96Å
119	P	79.8	Confident	86.4	Confident	76 Å²	76	81.4 Å²	81.4	49%	0.494	44%	0.443	S	S	.	.	H	α-helix	trans	-58.1	-36.8	-170.5	-27.5	35.5	0	0	0	114.3	L117 C121 A123	L117-P119 WeakPolarHBondContact O-CD 3.3Å; P119-C121 VanDerWaalsContact C-N 3.31Å; P119-C121 PolarHBondContact O-N 3.32Å; P119-A123 VanDerWaalsContact O-CB 3.25Å; P119-A123 WeakPolarHBondContact O-CB 3.47Å; P119-A123 PolarHBondContact O-N 2.96Å
120	T	80.4	Confident	86.3	Confident	78 Å²	78	82.4 Å²	82.4	48%	0.479	44%	0.438	S	S	.	.	H	α-helix	trans	-73.5	-21.2	178.3	52.8	0	0	0	0	113.5	V118 M124 M136	V118-T120 VanDerWaalsContact C-N 3.28Å; V118-T120 PolarHBondContact O-N 3.25Å; V118-T120 VanDerWaalsContact O-N 3.15Å; T120-M124 VanDerWaalsContact O-CE 3.3Å; T120-M124 WeakPolarHBondContact O-CE 3.44Å; T120-M136 VanDerWaalsContact C-CE 3.45Å; T120-M136 WeakPolarHBondContact O-CE 3.46Å; T120-M136 WeakPolarHBondContact OG1-CE 3.38Å
121	C	83.5	Confident	86.1	Confident	4 Å²	4	81.4 Å²	81.4	3%	0.027	44%	0.438	C	S	.	.	H	α-helix	trans	-82	-49.1	171.1	-67.6	0	0	0	0	110.4	A115 V118 P119 A123 M124 L128 M136	A115-C121 HydrophobicContact CB-CB 4.32Å; A115-C121 WeakPolarHBondContact O-CB 3.42Å; V118-C121 HydrophobicContact CB-CB 4.04Å; V118-C121 HydrophobicContact CG1-CB 4.16Å; V118-C121 WeakPolarHBondContact O-CA 3.44Å; V118-C121 WeakPolarHBondContact O-CB 3.47Å; V118-C121 PolarHBondContact O-N 3.42Å; P119-C121 VanDerWaalsContact C-N 3.31Å; P119-C121 PolarHBondContact O-N 3.32Å; C121-A123 VanDerWaalsContact C-N 3.28Å; C121-A123 PolarHBondContact O-N 3.12Å; C121-M124 PolarHBondContact O-N 3.39Å; C121-M124 VanDerWaalsContact O-N 3.08Å; C121-L128 HydrophobicContact CB-CD1 3.95Å; C121-M136 VanDerWaalsContact SG-CB 3.54Å
122	N	82.9	Confident	86	Confident	107 Å²	107	83 Å²	83	57%	0.572	45%	0.449	S	S	*	.	H	α-helix	trans	-64.5	-31.3	-176.4	-160.6	18.6	0	0	0	112.7	A115 S116 V118 M124	A115-N122 PolarHBondContact O-N 3.38Å; A115-N122 VanDerWaalsContact O-N 3.14Å; S116-N122 WeakPolarHBondContact O-CB 3.49Å; S116-N122 PolarHBondContact O-ND2 2.91Å; V118-N122 PolarHBondContact O-N 3.48Å; N122-M124 PolarHBondContact O-N 2.99Å
123	A	78.3	Confident	86	Confident	87 Å²	87	79.8 Å²	79.8	72%	0.719	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-5.8	174.7	0	0	0	0	0	114.7	P119 C121	P119-A123 VanDerWaalsContact O-CB 3.25Å; P119-A123 WeakPolarHBondContact O-CB 3.47Å; P119-A123 PolarHBondContact O-N 2.96Å; C121-A123 VanDerWaalsContact C-N 3.28Å; C121-A123 PolarHBondContact O-N 3.12Å
124	M	79.6	Confident	86	Confident	89 Å²	89	78.9 Å²	78.9	44%	0.438	43%	0.429	S	S	.	.			trans	-102.7	114.3	176.2	-83.5	-171.4	-85.4	0	0	112.2	T120 C121 N122 R126 L128 M136	T120-M124 VanDerWaalsContact O-CE 3.3Å; T120-M124 WeakPolarHBondContact O-CE 3.44Å; C121-M124 PolarHBondContact O-N 3.39Å; C121-M124 VanDerWaalsContact O-N 3.08Å; N122-M124 PolarHBondContact O-N 2.99Å; M124-R126 PolarHBondContact O-N 3.26Å; M124-L128 HydrophobicContact CB-CD2 4.47Å; M124-L128 HydrophobicContact CE-CD1 4Å; M124-L128 HydrophobicContact CE-CD2 3.94Å; M124-L128 HydrophobicContact SD-CD2 3.94Å; M124-M136 HydrophobicContact CE-CE 3.56Å; M124-M136 HydrophobicContact CE-SD 3.89Å
125	S	69.9	Low	85.9	Confident	129 Å²	129	84.5 Å²	84.5	90%	0.902	45%	0.447	S	S	*	.	S	Bend	trans	-67.5	3.5	178.9	58.3	0	0	0	0	115.9
126	R	82.8	Confident	85.7	Confident	208 Å²	208	85.1 Å²	85.1	79%	0.785	45%	0.447	S	S	*	.	S	Bend	trans	-110.9	133	177.3	-60.1	-176.7	-171.9	172.4	3.9	109.3	M124 L128	M124-R126 PolarHBondContact O-N 3.26Å; R126-L128 PolarHBondContact O-N 3.43Å
127	K	81.9	Confident	85.8	Confident	159 Å²	159	82.6 Å²	82.6	69%	0.691	43%	0.43	S	S	*	.			trans	-59.3	111.9	175.6	-169.5	173.7	-177.5	88.4	0	110	D112	D112-K127 IonicContact OD1-NZ 2.64Å; D112-K127 PolarHBondContact OD1-NZ 3.14Å; D112-K127 IonicContact OD2-NZ 2.8Å; D112-K127 PolarHBondContact OD2-NZ 3.3Å
128	L	85.7	Confident	85.8	Confident	38 Å²	38	80.6 Å²	80.6	20%	0.199	42%	0.422	C	S	.	.			trans	-72.2	152.7	-179.7	-63.6	173.8	0	0	0	111	C121 M124 R126 T132 V133 M136	C121-L128 HydrophobicContact CB-CD1 3.95Å; M124-L128 HydrophobicContact CB-CD2 4.47Å; M124-L128 HydrophobicContact CE-CD1 4Å; M124-L128 HydrophobicContact CE-CD2 3.94Å; M124-L128 HydrophobicContact SD-CD2 3.94Å; R126-L128 PolarHBondContact O-N 3.43Å; L128-T132 HydrophobicContact CD2-CG2 4.47Å; L128-V133 HydrophobicContact CB-CG2 3.65Å; L128-V133 HydrophobicContact CD1-CG2 4.27Å; L128-M136 HydrophobicContact CD1-SD 4.25Å
129	D	92.1	Very high	85.6	Confident	96 Å²	96	86.5 Å²	86.5	51%	0.513	45%	0.449	S	S	.	.			trans	-65.7	146.7	167.5	173.6	58	0	0	0	111	L131 T132 V133	D129-L131 VanDerWaalsContact C-N 3.27Å; D129-L131 PolarHBondContact O-N 2.93Å; D129-L131 WeakPolarHBondContact OD2-CA 3.37Å; D129-L131 WeakPolarHBondContact OD2-CB 3.33Å; D129-L131 PolarHBondContact OD2-N 3.04Å; D129-T132 CarbonylContact O-C 3.57Å; D129-T132 WeakPolarHBondContact O-CA 3.22Å; D129-T132 WeakPolarHBondContact O-CB 3.39Å; D129-T132 PolarHBondContact O-N 3.34Å; D129-V133 PolarHBondContact O-N 2.98Å
130	K	92	Very high	85.6	Confident	93 Å²	93	85.4 Å²	85.4	40%	0.404	44%	0.437	S	S	.	.	H	α-helix	trans	-60.5	-35.4	-176	-55.7	-177.6	-173.8	173.6	0	112.5	N108 I111 L134	N108-K130 PolarHBondContact OD1-NZ 3.21Å; I111-K130 HydrophobicContact CG2-CB 4.03Å; I111-K130 HydrophobicContact CG2-CG 4Å; K130-L134 WeakPolarHBondContact O-CB 3.25Å; K130-L134 WeakPolarHBondContact O-CG 3.37Å; K130-L134 PolarHBondContact O-N 2.94Å
131	L	92.8	Very high	85.7	Confident	94 Å²	94	85.1 Å²	85.1	49%	0.492	43%	0.432	S	S	.	.	H	α-helix	trans	-76.4	-28.5	178	-168.4	140.9	0	0	0	111.2	D129 R135	D129-L131 VanDerWaalsContact C-N 3.27Å; D129-L131 PolarHBondContact O-N 2.93Å; D129-L131 WeakPolarHBondContact OD2-CA 3.37Å; D129-L131 WeakPolarHBondContact OD2-CB 3.33Å; D129-L131 PolarHBondContact OD2-N 3.04Å; L131-R135 HydrophobicContact CD2-CG 4.43Å; L131-R135 VanDerWaalsContact CD2-CZ 3.42Å; L131-R135 VanDerWaalsContact CD2-NE 3.32Å; L131-R135 WeakPolarHBondContact O-CB 3.36Å; L131-R135 VanDerWaalsContact O-CG 3.24Å; L131-R135 WeakPolarHBondContact O-CG 3.17Å; L131-R135 PolarHBondContact O-N 2.72Å
132	T	90.7	Very high	85.3	Confident	53 Å²	53	92 Å²	92	33%	0.325	46%	0.461	S	S	.	.	H	α-helix	trans	-68.9	-47.3	168.1	-61.3	0	0	0	0	111.7	L128 D129 L134 R135 M136	L128-T132 HydrophobicContact CD2-CG2 4.47Å; D129-T132 CarbonylContact O-C 3.57Å; D129-T132 WeakPolarHBondContact O-CA 3.22Å; D129-T132 WeakPolarHBondContact O-CB 3.39Å; D129-T132 PolarHBondContact O-N 3.34Å; T132-L134 VanDerWaalsContact C-N 3.32Å; T132-L134 PolarHBondContact O-N 3.27Å; T132-R135 PolarHBondContact O-N 3.16Å; T132-R135 VanDerWaalsContact O-N 3.15Å; T132-M136 HydrophobicContact CG2-CG 4.35Å; T132-M136 HydrophobicContact CG2-SD 3.8Å; T132-M136 WeakPolarHBondContact O-CB 3.47Å; T132-M136 WeakPolarHBondContact O-CG 3.46Å; T132-M136 PolarHBondContact O-N 2.91Å
133	V	92.3	Very high	84.7	Confident	4 Å²	4	91.1 Å²	91.1	2%	0.024	46%	0.46	C	S	.	.	H	α-helix	trans	-55.2	-48.1	173.9	175.2	0	0	0	0	110.5	I111 L114 A115 L128 D129 R135 M136 A137	I111-V133 HydrophobicContact CG2-CB 4.26Å; I111-V133 HydrophobicContact CG2-CG1 4.17Å; L114-V133 HydrophobicContact CG-CG1 4.44Å; A115-V133 HydrophobicContact CB-CG1 3.91Å; A115-V133 HydrophobicContact CB-CG2 4.06Å; L128-V133 HydrophobicContact CB-CG2 3.65Å; L128-V133 HydrophobicContact CD1-CG2 4.27Å; D129-V133 PolarHBondContact O-N 2.98Å; V133-R135 PolarHBondContact O-N 3.41Å; V133-M136 PolarHBondContact O-N 3.19Å; V133-A137 WeakPolarHBondContact O-CB 3.42Å; V133-A137 PolarHBondContact O-N 2.99Å
134	L	93.9	Very high	83.9	Confident	81 Å²	81	91.5 Å²	91.5	42%	0.424	45%	0.449	S	S	.	.	H	α-helix	trans	-63.8	-38.9	177.5	-74.8	169.7	0	0	0	113.1	I111 L114 K130 T132 V138	I111-L134 HydrophobicContact CD1-CD1 3.94Å; I111-L134 HydrophobicContact CD1-CD2 3.68Å; I111-L134 HydrophobicContact CD1-CG 3.71Å; L114-L134 HydrophobicContact CD2-CD2 4.02Å; K130-L134 WeakPolarHBondContact O-CB 3.25Å; K130-L134 WeakPolarHBondContact O-CG 3.37Å; K130-L134 PolarHBondContact O-N 2.94Å; T132-L134 VanDerWaalsContact C-N 3.32Å; T132-L134 PolarHBondContact O-N 3.27Å; L134-V138 WeakPolarHBondContact O-CB 3.11Å; L134-V138 VanDerWaalsContact O-CG2 3.23Å; L134-V138 WeakPolarHBondContact O-CG2 3.4Å; L134-V138 PolarHBondContact O-N 3.3Å
135	R	90.4	Very high	82.9	Confident	174 Å²	174	95.3 Å²	95.3	66%	0.657	46%	0.459	S	S	*	.	H	α-helix	trans	-63.9	-44.5	174.8	-80.7	173.3	174.8	179	1	112	L131 T132 V133 V138 Q139	L131-R135 HydrophobicContact CD2-CG 4.43Å; L131-R135 VanDerWaalsContact CD2-CZ 3.42Å; L131-R135 VanDerWaalsContact CD2-NE 3.32Å; L131-R135 WeakPolarHBondContact O-CB 3.36Å; L131-R135 VanDerWaalsContact O-CG 3.24Å; L131-R135 WeakPolarHBondContact O-CG 3.17Å; L131-R135 PolarHBondContact O-N 2.72Å; T132-R135 PolarHBondContact O-N 3.16Å; T132-R135 VanDerWaalsContact O-N 3.15Å; V133-R135 PolarHBondContact O-N 3.41Å; R135-V138 PolarHBondContact O-N 3.45Å; R135-Q139 WeakPolarHBondContact O-CB 3.36Å; R135-Q139 PolarHBondContact O-N 2.98Å
136	M	88	Confident	81.7	Confident	32 Å²	32	92.3 Å²	92.3	16%	0.158	45%	0.448	C	S	.	.	H	α-helix	trans	-70.7	-37.4	179.6	-68.8	-179.8	63.2	0	0	111.8	T120 C121 M124 L128 T132 V133 Q139 H140	T120-M136 VanDerWaalsContact C-CE 3.45Å; T120-M136 WeakPolarHBondContact O-CE 3.46Å; T120-M136 WeakPolarHBondContact OG1-CE 3.38Å; C121-M136 VanDerWaalsContact SG-CB 3.54Å; M124-M136 HydrophobicContact CE-CE 3.56Å; M124-M136 HydrophobicContact CE-SD 3.89Å; L128-M136 HydrophobicContact CD1-SD 4.25Å; T132-M136 HydrophobicContact CG2-CG 4.35Å; T132-M136 HydrophobicContact CG2-SD 3.8Å; T132-M136 WeakPolarHBondContact O-CB 3.47Å; T132-M136 WeakPolarHBondContact O-CG 3.46Å; T132-M136 PolarHBondContact O-N 2.91Å; V133-M136 PolarHBondContact O-N 3.19Å; M136-Q139 PolarHBondContact O-N 3.08Å; M136-H140 WeakPolarHBondContact O-CB 3.44Å; M136-H140 PolarHBondContact O-N 2.86Å
137	A	89.6	Confident	80	Confident	6 Å²	6	84.3 Å²	84.3	5%	0.05	43%	0.426	C	S	.	.	H	α-helix	trans	-63.1	-43.3	169.7	0	0	0	0	0	111.9	L114 V118 V133 Q139 H140 M141	L114-A137 HydrophobicContact CD1-CB 4.02Å; L114-A137 HydrophobicContact CD2-CB 3.75Å; L114-A137 HydrophobicContact CG-CB 3.89Å; V118-A137 HydrophobicContact CG2-CB 3.88Å; V133-A137 WeakPolarHBondContact O-CB 3.42Å; V133-A137 PolarHBondContact O-N 2.99Å; A137-Q139 VanDerWaalsContact C-N 3.32Å; A137-Q139 PolarHBondContact O-N 3.19Å; A137-H140 PolarHBondContact O-N 3.29Å; A137-M141 WeakPolarHBondContact O-CB 3.39Å; A137-M141 VanDerWaalsContact O-CG 3.27Å; A137-M141 WeakPolarHBondContact O-CG 3.48Å; A137-M141 PolarHBondContact O-N 3.34Å
138	V	88.4	Confident	78.1	Confident	79 Å²	79	77.7 Å²	77.7	48%	0.479	40%	0.402	S	S	.	.	H	α-helix	trans	-64.3	-36.8	173.5	165.9	0	0	0	0	111.4	L134 R135 K142	L134-V138 WeakPolarHBondContact O-CB 3.11Å; L134-V138 VanDerWaalsContact O-CG2 3.23Å; L134-V138 WeakPolarHBondContact O-CG2 3.4Å; L134-V138 PolarHBondContact O-N 3.3Å; R135-V138 PolarHBondContact O-N 3.45Å; V138-K142 HydrophobicContact CG1-CD 4.18Å; V138-K142 VanDerWaalsContact O-CB 3.26Å; V138-K142 WeakPolarHBondContact O-CB 3.27Å; V138-K142 WeakPolarHBondContact O-CG 3.31Å; V138-K142 PolarHBondContact O-N 3.31Å
139	Q	82.3	Confident	75.9	Confident	130 Å²	130	80.7 Å²	80.7	61%	0.607	42%	0.418	S	S	*	.	H	α-helix	trans	-66.4	-44	173.8	-174.7	173.3	-8.2	0	0	111.6	R135 M136 A137 K142 T143	R135-Q139 WeakPolarHBondContact O-CB 3.36Å; R135-Q139 PolarHBondContact O-N 2.98Å; M136-Q139 PolarHBondContact O-N 3.08Å; A137-Q139 VanDerWaalsContact C-N 3.32Å; A137-Q139 PolarHBondContact O-N 3.19Å; Q139-K142 CarbonylContact O-C 3.48Å; Q139-K142 WeakPolarHBondContact O-CA 3.39Å; Q139-K142 WeakPolarHBondContact O-CB 3.14Å; Q139-K142 PolarHBondContact O-N 2.81Å; Q139-K142 VanDerWaalsContact O-N 3.11Å; Q139-T143 PolarHBondContact O-N 3.14Å; Q139-T143 PolarHBondContact O-OG1 2.99Å
140	H	80.8	Confident	73.6	Confident	52 Å²	52	81.2 Å²	81.2	24%	0.241	43%	0.426	C	S	.	.	H	α-helix	trans	-63	-45.2	175.7	-172.7	-118.2	0	0	0	112	V118 M136 A137 K142 T143 L144	V118-H140 HydrophobicContact CG1-CB 3.96Å; M136-H140 WeakPolarHBondContact O-CB 3.44Å; M136-H140 PolarHBondContact O-N 2.86Å; A137-H140 PolarHBondContact O-N 3.29Å; H140-K142 PolarHBondContact O-N 3.48Å; H140-T143 WeakPolarHBondContact CA-OG1 3.06Å; H140-T143 PolarHBondContact O-N 3.03Å; H140-T143 VanDerWaalsContact O-N 3.14Å; H140-T143 PolarHBondContact O-OG1 2.9Å; H140-L144 WeakPolarHBondContact O-CG 3.48Å; H140-L144 PolarHBondContact O-N 2.78Å
141	M	81.1	Confident	71.2	Confident	73 Å²	73	87.4 Å²	87.4	36%	0.36	45%	0.449	S	S	.	.	H	α-helix	trans	-67.9	-21.2	173.4	-66.7	-55.4	-64.1	0	0	112.9	A137 L144 R145	A137-M141 WeakPolarHBondContact O-CB 3.39Å; A137-M141 VanDerWaalsContact O-CG 3.27Å; A137-M141 WeakPolarHBondContact O-CG 3.48Å; A137-M141 PolarHBondContact O-N 3.34Å; M141-L144 HydrophobicContact SD-CD1 3.92Å; M141-R145 WeakPolarHBondContact O-CB 3.33Å; M141-R145 PolarHBondContact O-N 2.86Å
142	K	76.5	Confident	68.8	Low	148 Å²	148	87.3 Å²	87.3	64%	0.643	45%	0.452	S	S	*	.	H	α-helix	trans	-83.1	-27	169.4	-81.1	178.1	177	-171.2	0	113.2	V138 Q139 H140 G146	V138-K142 HydrophobicContact CG1-CD 4.18Å; V138-K142 VanDerWaalsContact O-CB 3.26Å; V138-K142 WeakPolarHBondContact O-CB 3.27Å; V138-K142 WeakPolarHBondContact O-CG 3.31Å; V138-K142 PolarHBondContact O-N 3.31Å; Q139-K142 CarbonylContact O-C 3.48Å; Q139-K142 WeakPolarHBondContact O-CA 3.39Å; Q139-K142 WeakPolarHBondContact O-CB 3.14Å; Q139-K142 PolarHBondContact O-N 2.81Å; Q139-K142 VanDerWaalsContact O-N 3.11Å; H140-K142 PolarHBondContact O-N 3.48Å; K142-G146 WeakPolarHBondContact O-CA 3.47Å; K142-G146 PolarHBondContact O-N 2.96Å
143	T	69.1	Low	66.6	Low	89 Å²	89	90.4 Å²	90.4	55%	0.546	46%	0.463	S	S	.	.	H	α-helix	trans	-74.1	-34.8	169	44.8	0	0	0	0	111.3	Q139 H140	Q139-T143 PolarHBondContact O-N 3.14Å; Q139-T143 PolarHBondContact O-OG1 2.99Å; H140-T143 WeakPolarHBondContact CA-OG1 3.06Å; H140-T143 PolarHBondContact O-N 3.03Å; H140-T143 VanDerWaalsContact O-N 3.14Å; H140-T143 PolarHBondContact O-OG1 2.9Å
144	L	62.7	Low	64.3	Low	95 Å²	95	93.8 Å²	93.8	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-68.3	-60.4	171.9	-66	168.9	0	0	0	111.3	H140 M141	H140-L144 WeakPolarHBondContact O-CG 3.48Å; H140-L144 PolarHBondContact O-N 2.78Å; M141-L144 HydrophobicContact SD-CD1 3.92Å
145	R	58	Low	62.3	Low	169 Å²	169	96.5 Å²	96.5	64%	0.638	51%	0.506	S	S	*	.	H	α-helix	trans	-84.8	-7.4	-176.5	-68.4	-172.9	-72.6	-139.9	0.3	115.9	M141	M141-R145 WeakPolarHBondContact O-CB 3.33Å; M141-R145 PolarHBondContact O-N 2.86Å
146	G	44	Very low	60.9	Low	66 Å²	66	92.7 Å²	92.7	68%	0.68	49%	0.493	S	S	*	.	H	α-helix	trans	-86.4	-15.1	171.2	0	0	0	0	0	113.2	K142	K142-G146 WeakPolarHBondContact O-CA 3.47Å; K142-G146 PolarHBondContact O-N 2.96Å
147	A	47.6	Very low	59.6	Low	39 Å²	39	93.4 Å²	93.4	32%	0.322	50%	0.495	S	S	.	.	H	α-helix	trans	-80.5	-33.4	165	0	0	0	0	0	111.6	N149	A147-N149 PolarHBondContact O-N 2.95Å
148	A	41.9	Very low	58.6	Low	21 Å²	21	95.4 Å²	95.4	17%	0.174	51%	0.507	C	S	.	.	S	Bend	trans	-79.9	97.7	175.6	0	0	0	0	0	112.1	E153	A148-E153 VanDerWaalsContact CB-CD 3.49Å; A148-E153 HydrophobicContact CB-CG 4.12Å; A148-E153 WeakPolarHBondContact CB-OE1 3.36Å
149	N	40.4	Very low	57.5	Low	101 Å²	101	97.9 Å²	97.9	54%	0.54	53%	0.528	S	S	.	.			trans	-71.2	129.4	169.4	-133.9	1.2	0	0	0	108.2	A147 Y151 T152 E153	A147-N149 PolarHBondContact O-N 2.95Å; N149-Y151 PolarHBondContact O-N 3.25Å; N149-T152 HydrophobicContact CB-CG2 4.47Å; N149-T152 WeakPolarHBondContact CB-OG1 3.37Å; N149-T152 PolarHBondContact O-N 3.14Å; N149-T152 PolarHBondContact O-OG1 3.31Å; N149-E153 PolarHBondContact O-N 3.35Å
150	P	43.7	Very low	57.2	Low	107 Å²	107	99.3 Å²	99.3	70%	0.695	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-0.3	-177.7	28	-35.6	0	0	0	114.1
151	Y	40.7	Very low	56.7	Low	222 Å²	222	98.2 Å²	98.2	87%	0.871	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-6.7	169.7	-75.7	-84.8	0	0	0	113.8	N149	N149-Y151 PolarHBondContact O-N 3.25Å
152	T	43.6	Very low	56.7	Low	92 Å²	92	97.2 Å²	97.2	56%	0.564	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-23.6	179.2	50.5	0	0	0	0	113.4	N149 A154	N149-T152 HydrophobicContact CB-CG2 4.47Å; N149-T152 WeakPolarHBondContact CB-OG1 3.37Å; N149-T152 PolarHBondContact O-N 3.14Å; N149-T152 PolarHBondContact O-OG1 3.31Å; T152-A154 PolarHBondContact O-N 3.26Å
153	E	44.2	Very low	56.5	Low	118 Å²	118	94.2 Å²	94.2	55%	0.551	52%	0.519	S	S	*	.			trans	-74.8	69.7	163.2	-74.5	-174.4	157.9	0	0	110.5	A148 N149 N155	A148-E153 VanDerWaalsContact CB-CD 3.49Å; A148-E153 HydrophobicContact CB-CG 4.12Å; A148-E153 WeakPolarHBondContact CB-OE1 3.36Å; N149-E153 PolarHBondContact O-N 3.35Å; E153-N155 PolarHBondContact O-N 2.97Å
154	A	44.1	Very low	56.6	Low	76 Å²	76	94.8 Å²	94.8	63%	0.628	52%	0.519	S	S	*	.			trans	-62.2	117.2	149.8	0	0	0	0	0	106.6	T152 Y156	T152-A154 PolarHBondContact O-N 3.26Å; A154-Y156 WeakPolarHBondContact O-CD1 3.43Å; A154-Y156 PolarHBondContact O-N 3.3Å
155	N	52.5	Low	57.3	Low	137 Å²	137	95.2 Å²	95.2	73%	0.733	52%	0.519	S	S	*	.			trans	-67.4	81.9	176.7	-76	-66.9	0	0	0	109.6	E153 K157	E153-N155 PolarHBondContact O-N 2.97Å; N155-K157 CarbonylContact O-C 3.58Å; N155-K157 PolarHBondContact O-N 3.4Å
156	Y	60	Low	58.1	Low	94 Å²	94	87.8 Å²	87.8	37%	0.369	49%	0.491	S	S	.	.	S	Bend	trans	-60.7	-27.2	-179.2	57.9	-89.7	0	0	0	111.9	A154 L166 M616 E620	A154-Y156 WeakPolarHBondContact O-CD1 3.43Å; A154-Y156 PolarHBondContact O-N 3.3Å; Y156-L166 HydrophobicContact CD2-CD2 4.29Å; Y156-M616 HydrophobicContact CE2-CB 3.77Å; Y156-M616 HydrophobicContact CE2-CE 3.86Å; Y156-M616 HydrophobicContact CE2-CG 4.35Å; Y156-M616 HydrophobicContact CE2-SD 3.81Å; Y156-E620 HydrophobicContact CD1-CG 3.64Å; Y156-E620 HydrophobicContact CE1-CG 3.6Å; Y156-E620 WeakPolarHBondContact CE1-OE1 3.25Å; Y156-E620 PolarHBondContact OH-OE1 2.97Å
157	K	61.4	Low	59.4	Low	48 Å²	48	86 Å²	86	21%	0.209	47%	0.465	C	S	.	.	S	Bend	trans	-89.5	113.4	158.6	-167.1	176.6	78.7	173.5	0	109.2	N155 L161 D163 L166 M616	N155-K157 CarbonylContact O-C 3.58Å; N155-K157 PolarHBondContact O-N 3.4Å; K157-L161 HydrophobicContact CD-CB 4.49Å; K157-L161 WeakPolarHBondContact CD-O 3.45Å; K157-L161 WeakPolarHBondContact CE-O 3.41Å; K157-L161 HydrophobicContact CG-CB 4.09Å; K157-L161 PolarHBondContact NZ-O 2.97Å; K157-D163 WeakPolarHBondContact CD-OD1 3.4Å; K157-D163 WeakPolarHBondContact CE-OD1 3.27Å; K157-D163 IonicContact NZ-OD1 2.96Å; K157-D163 PolarHBondContact NZ-OD1 3.32Å; K157-D163 IonicContact NZ-OD2 2.92Å; K157-D163 PolarHBondContact NZ-OD2 2.87Å; K157-L166 HydrophobicContact CB-CD2 3.56Å; K157-L166 HydrophobicContact CD-CB 4.41Å; K157-L166 HydrophobicContact CD-CD2 4.16Å; K157-L166 HydrophobicContact CG-CB 4.4Å; K157-L166 HydrophobicContact CG-CD2 3.65Å; K157-M616 HydrophobicContact CD-CE 4.33Å
158	P	67.1	Low	60.5	Low	47 Å²	47	89.6 Å²	89.6	31%	0.305	48%	0.475	S	S	.	.			trans	-66.2	145.1	169.3	31.2	-35.3	0	0	0	109.2	F160 L161	P158-F160 HydrophobicContact CB-CD1 3.76Å; P158-F160 HydrophobicContact CB-CE1 3.48Å; P158-F160 VanDerWaalsContact CB-CE1 3.48Å; P158-F160 HydrophobicContact CB-CZ 4.17Å; P158-F160 HydrophobicContact CG-CD1 4.08Å; P158-F160 HydrophobicContact CG-CE1 3.57Å; P158-F160 HydrophobicContact CG-CE2 4.36Å; P158-F160 HydrophobicContact CG-CZ 3.72Å; P158-F160 PolarHBondContact O-N 2.88Å; P158-L161 HydrophobicContact CG-CD1 3.94Å; P158-L161 HydrophobicContact CG-CG 4.1Å; P158-L161 PolarHBondContact O-N 3.26Å
159	S	65.2	Low	62.4	Low	131 Å²	131	93 Å²	93	92%	0.916	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-3.8	-170.1	51.9	0	0	0	0	116.1
160	F	76.9	Confident	64	Low	160 Å²	160	89.4 Å²	89.4	70%	0.702	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-9	173.8	69.2	-99.6	0	0	0	114.2	P158	P158-F160 HydrophobicContact CB-CD1 3.76Å; P158-F160 HydrophobicContact CB-CE1 3.48Å; P158-F160 VanDerWaalsContact CB-CE1 3.48Å; P158-F160 HydrophobicContact CB-CZ 4.17Å; P158-F160 HydrophobicContact CG-CD1 4.08Å; P158-F160 HydrophobicContact CG-CE1 3.57Å; P158-F160 HydrophobicContact CG-CE2 4.36Å; P158-F160 HydrophobicContact CG-CZ 3.72Å; P158-F160 PolarHBondContact O-N 2.88Å
161	L	70.9	Confident	65.3	Low	30 Å²	30	86.2 Å²	86.2	16%	0.157	45%	0.447	C	S	.	.	S	Bend	trans	-101.7	137.5	176.3	-66.1	-179.2	0	0	0	111.7	K157 P158 E165 L166 L169	K157-L161 HydrophobicContact CD-CB 4.49Å; K157-L161 WeakPolarHBondContact CD-O 3.45Å; K157-L161 WeakPolarHBondContact CE-O 3.41Å; K157-L161 HydrophobicContact CG-CB 4.09Å; K157-L161 PolarHBondContact NZ-O 2.97Å; P158-L161 HydrophobicContact CG-CD1 3.94Å; P158-L161 HydrophobicContact CG-CG 4.1Å; P158-L161 PolarHBondContact O-N 3.26Å; L161-E165 HydrophobicContact CD2-CB 4.1Å; L161-L166 HydrophobicContact CD1-CD1 4.37Å; L161-L169 HydrophobicContact CD1-CD2 4.2Å
162	S	79.8	Confident	66.8	Low	51 Å²	51	85.6 Å²	85.6	36%	0.357	44%	0.443	S	S	.	.			trans	-71	163.2	159.9	65.9	0	0	0	0	111.5	D164 E165 L166	S162-D164 VanDerWaalsContact C-N 3.27Å; S162-D164 PolarHBondContact O-N 2.91Å; S162-E165 VanDerWaalsContact CB-OE2 3.24Å; S162-E165 WeakPolarHBondContact CB-OE2 3.29Å; S162-E165 PolarHBondContact N-OE2 3.47Å; S162-E165 PolarHBondContact O-N 3.3Å; S162-E165 WeakPolarHBondContact OG-CB 3.33Å; S162-E165 VanDerWaalsContact OG-CD 3.32Å; S162-E165 VanDerWaalsContact OG-CG 3.24Å; S162-E165 WeakPolarHBondContact OG-CG 3.41Å; S162-E165 PolarHBondContact OG-N 3.44Å; S162-E165 VanDerWaalsContact OG-N 3.11Å; S162-E165 PolarHBondContact OG-OE2 2.92Å; S162-L166 PolarHBondContact O-N 3.45Å
163	D	72.6	Confident	68.3	Low	85 Å²	85	85.1 Å²	85.1	46%	0.455	45%	0.449	S	S	.	.	H	α-helix	trans	-67.8	-29.4	177	-57.9	-70.8	0	0	0	112	K157 K167 M616	K157-D163 WeakPolarHBondContact CD-OD1 3.4Å; K157-D163 WeakPolarHBondContact CE-OD1 3.27Å; K157-D163 IonicContact NZ-OD1 2.96Å; K157-D163 PolarHBondContact NZ-OD1 3.32Å; K157-D163 IonicContact NZ-OD2 2.92Å; K157-D163 PolarHBondContact NZ-OD2 2.87Å; D163-K167 VanDerWaalsContact O-CB 3.24Å; D163-K167 WeakPolarHBondContact O-CB 3.36Å; D163-K167 PolarHBondContact O-N 3.32Å; D163-M616 HydrophobicContact CB-CE 4.18Å; D163-M616 WeakPolarHBondContact OD1-CE 3.36Å
164	D	72.4	Confident	69.5	Low	101 Å²	101	79.9 Å²	79.9	54%	0.54	43%	0.426	S	S	.	.	H	α-helix	trans	-73.7	-36.8	173.8	-85.9	-44.9	0	0	0	112.9	S162 K167 H168	S162-D164 VanDerWaalsContact C-N 3.27Å; S162-D164 PolarHBondContact O-N 2.91Å; D164-K167 WeakPolarHBondContact O-CB 3.39Å; D164-K167 PolarHBondContact O-N 2.94Å; D164-K167 WeakPolarHBondContact OD1-CD 3.48Å; D164-H168 WeakPolarHBondContact O-CB 3.24Å; D164-H168 PolarHBondContact O-N 3.07Å; D164-H168 PolarHBondContact O-ND1 2.7Å
165	E	75.9	Confident	71	Confident	104 Å²	104	81.7 Å²	81.7	49%	0.486	43%	0.425	S	S	.	.	H	α-helix	trans	-65.7	-41.4	171.4	-73	162.9	117.6	0	0	111	L161 S162 H168 L169	L161-E165 HydrophobicContact CD2-CB 4.1Å; S162-E165 VanDerWaalsContact CB-OE2 3.24Å; S162-E165 WeakPolarHBondContact CB-OE2 3.29Å; S162-E165 PolarHBondContact N-OE2 3.47Å; S162-E165 PolarHBondContact O-N 3.3Å; S162-E165 WeakPolarHBondContact OG-CB 3.33Å; S162-E165 VanDerWaalsContact OG-CD 3.32Å; S162-E165 VanDerWaalsContact OG-CG 3.24Å; S162-E165 WeakPolarHBondContact OG-CG 3.41Å; S162-E165 PolarHBondContact OG-N 3.44Å; S162-E165 VanDerWaalsContact OG-N 3.11Å; S162-E165 PolarHBondContact OG-OE2 2.92Å; E165-H168 PolarHBondContact O-N 3.41Å; E165-L169 VanDerWaalsContact O-CB 3.27Å; E165-L169 WeakPolarHBondContact O-CB 3.49Å; E165-L169 PolarHBondContact O-N 3.28Å
166	L	75.4	Confident	72.5	Confident	13 Å²	13	75.4 Å²	75.4	7%	0.068	39%	0.392	C	S	.	.	H	α-helix	trans	-68.2	-37.6	176	-175.5	56.6	0	0	0	111.9	Y156 K157 L161 S162 L169 I170 M616	Y156-L166 HydrophobicContact CD2-CD2 4.29Å; K157-L166 HydrophobicContact CB-CD2 3.56Å; K157-L166 HydrophobicContact CD-CB 4.41Å; K157-L166 HydrophobicContact CD-CD2 4.16Å; K157-L166 HydrophobicContact CG-CB 4.4Å; K157-L166 HydrophobicContact CG-CD2 3.65Å; L161-L166 HydrophobicContact CD1-CD1 4.37Å; S162-L166 PolarHBondContact O-N 3.45Å; L166-L169 HydrophobicContact CD1-CD2 4.39Å; L166-L169 PolarHBondContact O-N 2.98Å; L166-I170 HydrophobicContact CD1-CD1 3.86Å; L166-I170 HydrophobicContact CD1-CG1 3.89Å; L166-I170 HydrophobicContact CD2-CD1 4.37Å; L166-I170 HydrophobicContact CG-CD1 3.68Å; L166-I170 HydrophobicContact CG-CG1 4.23Å; L166-I170 WeakPolarHBondContact O-CB 3.34Å; L166-I170 WeakPolarHBondContact O-CD1 3.33Å; L166-I170 WeakPolarHBondContact O-CG1 3.49Å; L166-I170 PolarHBondContact O-N 2.89Å; L166-M616 HydrophobicContact CD2-CE 3.96Å; L166-M616 HydrophobicContact CD2-SD 3.84Å; L166-M616 HydrophobicContact CG-SD 4.31Å
167	K	70.8	Confident	73.9	Confident	30 Å²	30	71 Å²	71	13%	0.13	38%	0.375	C	S	.	.	H	α-helix	trans	-52.6	-53.6	167.7	168.6	180	-166	-179.5	0	111.3	D163 D164 I170 L171 D608 M612	D163-K167 VanDerWaalsContact O-CB 3.24Å; D163-K167 WeakPolarHBondContact O-CB 3.36Å; D163-K167 PolarHBondContact O-N 3.32Å; D164-K167 WeakPolarHBondContact O-CB 3.39Å; D164-K167 PolarHBondContact O-N 2.94Å; D164-K167 WeakPolarHBondContact OD1-CD 3.48Å; K167-I170 PolarHBondContact O-N 3.37Å; K167-L171 HydrophobicContact CG-CD1 3.88Å; K167-L171 WeakPolarHBondContact O-CB 3.37Å; K167-L171 VanDerWaalsContact O-CG 3.29Å; K167-L171 WeakPolarHBondContact O-CG 3.49Å; K167-L171 PolarHBondContact O-N 3.13Å; K167-D608 WeakPolarHBondContact CE-OD2 3.33Å; K167-D608 IonicContact NZ-OD2 3.48Å; K167-D608 PolarHBondContact NZ-OD2 2.9Å; K167-M612 HydrophobicContact CB-CE 3.63Å; K167-M612 HydrophobicContact CB-CG 4.32Å; K167-M612 HydrophobicContact CB-SD 3.59Å; K167-M612 VanDerWaalsContact CB-SD 3.59Å; K167-M612 HydrophobicContact CD-CG 3.79Å; K167-M612 HydrophobicContact CD-SD 3.87Å; K167-M612 HydrophobicContact CG-CE 4.22Å; K167-M612 HydrophobicContact CG-CG 4.09Å; K167-M612 HydrophobicContact CG-SD 3.45Å; K167-M612 WeakPolarHBondContact CG-SD 3.36Å
168	H	71.7	Confident	75.2	Confident	113 Å²	113	68.9 Å²	68.9	52%	0.523	37%	0.366	S	S	.	.	H	α-helix	trans	-66.8	-38.1	-178.4	-76.4	78	0	0	0	112.1	D164 E165 R172	D164-H168 WeakPolarHBondContact O-CB 3.24Å; D164-H168 PolarHBondContact O-N 3.07Å; D164-H168 PolarHBondContact O-ND1 2.7Å; E165-H168 PolarHBondContact O-N 3.41Å; H168-R172 WeakPolarHBondContact O-CB 3.1Å; H168-R172 PolarHBondContact O-N 2.94Å
169	L	80.6	Confident	76.4	Confident	94 Å²	94	67 Å²	67	49%	0.492	35%	0.353	S	S	.	.	H	α-helix	trans	-65.4	-47.3	175.8	-177.7	60.7	0	0	0	111.6	L161 E165 L166 R172 A173	L161-L169 HydrophobicContact CD1-CD2 4.2Å; E165-L169 VanDerWaalsContact O-CB 3.27Å; E165-L169 WeakPolarHBondContact O-CB 3.49Å; E165-L169 PolarHBondContact O-N 3.28Å; L166-L169 HydrophobicContact CD1-CD2 4.39Å; L166-L169 PolarHBondContact O-N 2.98Å; L169-R172 PolarHBondContact O-N 2.8Å; L169-A173 WeakPolarHBondContact O-CB 3.49Å; L169-A173 PolarHBondContact O-N 2.9Å
170	I	75.3	Confident	77.7	Confident	24 Å²	24	61.3 Å²	61.3	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-50.6	176.5	-68.8	162.3	0	0	0	110.1	L166 K167 R172 A173 A174 I615 L619	L166-I170 HydrophobicContact CD1-CD1 3.86Å; L166-I170 HydrophobicContact CD1-CG1 3.89Å; L166-I170 HydrophobicContact CD2-CD1 4.37Å; L166-I170 HydrophobicContact CG-CD1 3.68Å; L166-I170 HydrophobicContact CG-CG1 4.23Å; L166-I170 WeakPolarHBondContact O-CB 3.34Å; L166-I170 WeakPolarHBondContact O-CD1 3.33Å; L166-I170 WeakPolarHBondContact O-CG1 3.49Å; L166-I170 PolarHBondContact O-N 2.89Å; K167-I170 PolarHBondContact O-N 3.37Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.18Å; I170-A173 PolarHBondContact O-N 2.04Å; I170-A174 WeakPolarHBondContact O-CB 3.27Å; I170-A174 PolarHBondContact O-N 2.93Å; I170-I615 HydrophobicContact CD1-CG2 4.46Å; I170-I615 HydrophobicContact CG2-CG2 4.36Å; I170-L619 HydrophobicContact CD1-CD1 3.53Å; I170-L619 HydrophobicContact CG1-CD1 4.21Å
171	L	70.8	Confident	78.4	Confident	41 Å²	41	53.7 Å²	53.7	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-33.5	-178.1	-69.7	172.2	0	0	0	112.5	K167	K167-L171 HydrophobicContact CG-CD1 3.88Å; K167-L171 WeakPolarHBondContact O-CB 3.37Å; K167-L171 VanDerWaalsContact O-CG 3.29Å; K167-L171 WeakPolarHBondContact O-CG 3.49Å; K167-L171 PolarHBondContact O-N 3.13Å
172	R	72.6	Confident	79.4	Confident	208 Å²	208	52.4 Å²	52.4	79%	0.785	27%	0.273	S	S	*	.	H	α-helix	trans	-73.8	-42.2	174.7	-176.3	178.3	-73	162.6	-3.4	112.4	H168 L169 I170	H168-R172 WeakPolarHBondContact O-CB 3.1Å; H168-R172 PolarHBondContact O-N 2.94Å; L169-R172 PolarHBondContact O-N 2.8Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.18Å
173	A	75	Confident	79.8	Confident	83 Å²	83	51.2 Å²	51.2	69%	0.686	27%	0.265	S	S	*	.	H	α-helix	trans	-80.3	-20.1	-178.9	0	0	0	0	0	113.6	L169 I170	L169-A173 WeakPolarHBondContact O-CB 3.49Å; L169-A173 PolarHBondContact O-N 2.9Å; I170-A173 PolarHBondContact O-N 2.04Å
174	A	67.5	Low	80.3	Confident	7 Å²	7	52.6 Å²	52.6	6%	0.058	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-7.4	-179.9	0	0	0	0	0	114.5	I170 G176 R338	I170-A174 WeakPolarHBondContact O-CB 3.27Å; I170-A174 PolarHBondContact O-N 2.93Å; A174-G176 VanDerWaalsContact C-N 3.3Å; A174-G176 PolarHBondContact O-N 3.06Å; A174-R338 VanDerWaalsContact O-CD 3.25Å; A174-R338 WeakPolarHBondContact O-CD 3.24Å; A174-R338 WeakPolarHBondContact O-CG 3.27Å; A174-R338 PolarHBondContact O-NE 3.45Å
175	D	75.6	Confident	80.9	Confident	115 Å²	115	57 Å²	57	62%	0.615	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	36.1	58.6	-176.3	-163.9	26.3	0	0	0	113.4
176	G	84.8	Confident	81.5	Confident	4 Å²	4	52.1 Å²	52.1	4%	0.041	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	176.3	-163.3	0	0	0	0	0	113.7	A174 S194 I198 G337	A174-G176 VanDerWaalsContact C-N 3.3Å; A174-G176 PolarHBondContact O-N 3.06Å; G176-S194 WeakPolarHBondContact O-CB 3.39Å; G176-S194 PolarHBondContact O-OG 3.37Å; G176-I198 VanDerWaalsContact CA-CD1 3.44Å; G176-G337 CarbonylContact C-O 3.45Å; G176-G337 VanDerWaalsContact CA-O 3.25Å; G176-G337 WeakPolarHBondContact CA-O 3.5Å
177	F	89.4	Confident	82.3	Confident	3 Å²	3	56.3 Å²	56.3	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.8	171.7	67.9	-84.8	0	0	0	110.3	F179 V191 S192 S194 V195 I198 L199 M270 I301 I336 G337	F177-F179 HydrophobicContact CD2-CB 4.46Å; F177-F179 AromaticContact CD2-CD1 3.99Å; F177-F179 HydrophobicContact CD2-CD1 3.99Å; F177-F179 HydrophobicContact CE2-CB 4.31Å; F177-F179 AromaticContact CE2-CD1 3.51Å; F177-F179 HydrophobicContact CE2-CD1 3.51Å; F177-F179 HydrophobicContact CE2-CE1 4.19Å; F177-F179 HydrophobicContact CE2-CG 4.24Å; F177-F179 HydrophobicContact CZ-CD1 4.28Å; F177-V191 HydrophobicContact CD2-CG2 3.84Å; F177-V191 HydrophobicContact CE2-CG2 4.38Å; F177-S192 WeakPolarHBondContact CA-OG 3.46Å; F177-S194 WeakPolarHBondContact CA-OG 3.19Å; F177-V195 HydrophobicContact CB-CB 3.82Å; F177-V195 HydrophobicContact CB-CG2 4.35Å; F177-V195 HydrophobicContact CD1-CB 4.48Å; F177-V195 HydrophobicContact CD1-CG2 4.16Å; F177-V195 HydrophobicContact CD2-CB 3.91Å; F177-V195 HydrophobicContact CD2-CG2 3.64Å; F177-V195 HydrophobicContact CE1-CG2 4.39Å; F177-V195 HydrophobicContact CE2-CG2 3.89Å; F177-V195 HydrophobicContact CG-CB 3.82Å; F177-V195 HydrophobicContact CG-CG2 3.78Å; F177-V195 HydrophobicContact CZ-CG2 4.27Å; F177-I198 HydrophobicContact CD1-CB 4.21Å; F177-I198 HydrophobicContact CD1-CD1 3.93Å; F177-I198 HydrophobicContact CD1-CG2 4.08Å; F177-I198 HydrophobicContact CE1-CG2 4.05Å; F177-L199 HydrophobicContact CE1-CD1 4.03Å; F177-L199 HydrophobicContact CE1-CG 4.16Å; F177-L199 HydrophobicContact CE2-CD1 4.43Å; F177-L199 HydrophobicContact CZ-CD1 3.76Å; F177-L199 HydrophobicContact CZ-CG 4.4Å; F177-M270 HydrophobicContact CZ-CE 4.24Å; F177-M270 HydrophobicContact CZ-SD 3.8Å; F177-I301 HydrophobicContact CE1-CG2 4.36Å; F177-I301 HydrophobicContact CZ-CG2 4.5Å; F177-I336 CarbonylContact O-C 3.56Å; F177-I336 WeakPolarHBondContact O-CA 3.24Å; F177-G337 WeakPolarHBondContact CD1-O 3.44Å; F177-G337 PolarHBondContact N-O 3.3Å; F177-G337 PolarHBondContact O-N 3.38Å
178	L	89.3	Confident	83.4	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	143.7	168.7	-177.8	143.4	0	0	0	109.5	V180 F190 V191 S192 V334 A335 A611 I615	L178-V180 HydrophobicContact CD2-CG2 3.95Å; L178-F190 HydrophobicContact CD2-CD1 3.57Å; L178-F190 HydrophobicContact CD2-CE1 3.73Å; L178-V191 CarbonylContact O-C 3.57Å; L178-V191 VanDerWaalsContact O-CA 3.31Å; L178-V191 WeakPolarHBondContact O-CA 3.3Å; L178-V191 WeakPolarHBondContact O-CG2 3.49Å; L178-S192 PolarHBondContact N-OG 2.86Å; L178-S192 PolarHBondContact O-N 3.22Å; L178-V334 HydrophobicContact CD1-CG1 3.98Å; L178-V334 HydrophobicContact CD2-CG1 4.47Å; L178-V334 HydrophobicContact CG-CG1 4.46Å; L178-A335 CarbonylContact C-O 3.57Å; L178-A335 WeakPolarHBondContact CA-O 3.32Å; L178-A611 HydrophobicContact CD2-CB 4.46Å; L178-I615 HydrophobicContact CD1-CD1 3.43Å; L178-I615 VanDerWaalsContact CD1-CD1 3.43Å; L178-I615 HydrophobicContact CD1-CG1 3.32Å
179	F	92	Very high	84.3	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.3	165.8	60.9	-85.6	0	0	0	111.3	F177 V181 F190 V191 L333 A335	F177-F179 HydrophobicContact CD2-CB 4.46Å; F177-F179 AromaticContact CD2-CD1 3.99Å; F177-F179 HydrophobicContact CD2-CD1 3.99Å; F177-F179 HydrophobicContact CE2-CB 4.31Å; F177-F179 AromaticContact CE2-CD1 3.51Å; F177-F179 HydrophobicContact CE2-CD1 3.51Å; F177-F179 HydrophobicContact CE2-CE1 4.19Å; F177-F179 HydrophobicContact CE2-CG 4.24Å; F177-F179 HydrophobicContact CZ-CD1 4.28Å; F179-V181 HydrophobicContact CD2-CB 4.48Å; F179-V181 HydrophobicContact CD2-CG2 3.81Å; F179-V181 HydrophobicContact CE2-CG2 4.38Å; F179-F190 CarbonylContact C-O 3.56Å; F179-F190 WeakPolarHBondContact CA-O 3.38Å; F179-V191 HydrophobicContact CB-CG2 4.19Å; F179-L333 HydrophobicContact CE2-CD2 4.44Å; F179-A335 WeakPolarHBondContact CD1-O 3.26Å; F179-A335 HydrophobicContact CE1-CB 4.02Å; F179-A335 HydrophobicContact CE2-CB 4.01Å; F179-A335 HydrophobicContact CZ-CB 3.69Å; F179-A335 PolarHBondContact N-O 3.49Å; F179-A335 PolarHBondContact O-N 2.67Å
180	V	92.3	Very high	84.8	Confident	12 Å²	12	50.3 Å²	50.3	7%	0.073	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.3	170.2	-176.8	0	0	0	0	108.1	L178 L189 F190 C332 L333 V334	L178-V180 HydrophobicContact CD2-CG2 3.95Å; V180-L189 HydrophobicContact CB-CB 4.37Å; V180-L189 HydrophobicContact CG1-CB 4.17Å; V180-L189 HydrophobicContact CG1-CD1 4.24Å; V180-L189 PolarHBondContact O-N 2.81Å; V180-F190 HydrophobicContact CB-CB 4Å; V180-F190 HydrophobicContact CG2-CB 3.94Å; V180-F190 HydrophobicContact CG2-CD1 4.28Å; V180-F190 PolarHBondContact N-O 3.05Å; V180-F190 PolarHBondContact O-N 3.46Å; V180-C332 HydrophobicContact CG1-CB 3.92Å; V180-L333 WeakPolarHBondContact CA-O 3.49Å; V180-V334 HydrophobicContact CG1-CG2 4.04Å; V180-V334 HydrophobicContact CG2-CG1 4.18Å; V180-V334 HydrophobicContact CG2-CG2 3.96Å
181	V	92.8	Very high	85.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.3	-177.3	162.8	0	0	0	0	110.6	F179 K187 I188 L211 L227 C332 L333	F179-V181 HydrophobicContact CD2-CB 4.48Å; F179-V181 HydrophobicContact CD2-CG2 3.81Å; F179-V181 HydrophobicContact CE2-CG2 4.38Å; V181-K187 CarbonylContact C-O 3.58Å; V181-K187 WeakPolarHBondContact CA-O 3.42Å; V181-I188 HydrophobicContact CG2-CB 4.36Å; V181-I188 HydrophobicContact CG2-CG1 3.8Å; V181-L211 HydrophobicContact CG1-CB 4.38Å; V181-L211 HydrophobicContact CG1-CD2 4.19Å; V181-L211 HydrophobicContact CG2-CB 4.22Å; V181-L211 HydrophobicContact CG2-CD1 4.46Å; V181-L211 HydrophobicContact CG2-CD2 4.17Å; V181-L227 HydrophobicContact CG1-CD1 4.09Å; V181-L227 HydrophobicContact CG1-CD2 3.97Å; V181-C332 CarbonylContact O-C 3.54Å; V181-C332 WeakPolarHBondContact O-CA 3.44Å; V181-C332 WeakPolarHBondContact O-CB 3.34Å; V181-L333 PolarHBondContact N-O 2.84Å; V181-L333 PolarHBondContact O-N 2.93Å
182	G	90.6	Very high	86.4	Confident	4 Å²	4	47.7 Å²	47.7	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.3	172.2	0	0	0	0	0	111.7	D184 G186 K187	G182-D184 VanDerWaalsContact C-N 3.26Å; G182-D184 PolarHBondContact O-N 2.85Å; G182-G186 WeakPolarHBondContact O-CA 3.46Å; G182-G186 PolarHBondContact O-N 3.46Å; G182-K187 PolarHBondContact N-O 3.33Å
183	C	87.8	Confident	87.1	Confident	26 Å²	26	44.8 Å²	44.8	18%	0.176	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-19.9	-175.6	-63.6	0	0	0	0	113.4	L227 S331	C183-L227 WeakPolarHBondContact CB-O 3.38Å; C183-S331 WeakPolarHBondContact CB-O 3.24Å; C183-S331 PolarHBondContact N-O 3.29Å; C183-S331 VanDerWaalsContact SG-C 3.6Å; C183-S331 PolarHBondContact SG-O 2.96Å; C183-S331 VanDerWaalsContact SG-O 3.4Å; C183-S331 PolarHBondContact SG-OG 2.81Å
184	D	83.4	Confident	87.6	Confident	113 Å²	113	42 Å²	42	60%	0.604	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-53.6	-178.7	65.3	-41.9	0	0	0	113	G182	G182-D184 VanDerWaalsContact C-N 3.26Å; G182-D184 PolarHBondContact O-N 2.85Å
185	R	84.7	Confident	88.7	Confident	195 Å²	195	41.7 Å²	41.7	74%	0.736	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.8	0.2	-170.3	-68.2	178.5	71.3	175.3	3.2	112.6	K187 S210	R185-K187 PolarHBondContact O-N 2.97Å; R185-S210 PolarHBondContact O-OG 2.91Å
186	G	89.1	Confident	89.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.199	C	C	.	.			trans	67.5	20.4	-172.6	0	0	0	0	0	113	G182 I188 L211	G182-G186 WeakPolarHBondContact O-CA 3.46Å; G182-G186 PolarHBondContact O-N 3.46Å; G186-I188 PolarHBondContact O-N 3.44Å; G186-L211 WeakPolarHBondContact O-CB 3.33Å; G186-L211 PolarHBondContact O-N 2.86Å
187	K	92.4	Very high	89.4	Confident	102 Å²	102	51 Å²	51	44%	0.443	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-68.6	125.5	-177.3	-172.9	178.9	-179.9	-177.5	0	110.1	V181 G182 R185 L189 G208 Q209	V181-K187 CarbonylContact C-O 3.58Å; V181-K187 WeakPolarHBondContact CA-O 3.42Å; G182-K187 PolarHBondContact N-O 3.33Å; R185-K187 PolarHBondContact O-N 2.97Å; K187-L189 HydrophobicContact CB-CD2 4.45Å; K187-L189 HydrophobicContact CD-CD2 4.25Å; K187-L189 HydrophobicContact CG-CD2 4.23Å; K187-L189 PolarHBondContact O-N 2.94Å; K187-G208 WeakPolarHBondContact CE-O 3.47Å; K187-Q209 CarbonylContact C-O 3.59Å; K187-Q209 WeakPolarHBondContact CA-O 3.39Å
188	I	93.8	Very high	89.2	Confident	7 Å²	7	52 Å²	52	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	115.2	173.2	-60.1	168.3	0	0	0	107.7	V181 G186 V191 L206 G208 Q209 L211 Y214	V181-I188 HydrophobicContact CG2-CB 4.36Å; V181-I188 HydrophobicContact CG2-CG1 3.8Å; G186-I188 PolarHBondContact O-N 3.44Å; I188-V191 HydrophobicContact CG2-CB 4.48Å; I188-L206 WeakPolarHBondContact CB-O 3.33Å; I188-L206 HydrophobicContact CD1-CB 4.17Å; I188-L206 WeakPolarHBondContact CD1-O 3.37Å; I188-G208 PolarHBondContact O-N 2.96Å; I188-Q209 PolarHBondContact N-O 3.2Å; I188-L211 HydrophobicContact CD1-CD1 4.43Å; I188-L211 HydrophobicContact CG1-CB 4.25Å; I188-Y214 HydrophobicContact CD1-CD2 4.38Å
189	L	90.8	Very high	89.1	Confident	81 Å²	81	51.9 Å²	51.9	42%	0.424	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-34.7	179.8	-55.5	-177.4	0	0	0	111.5	V180 K187 C332	V180-L189 HydrophobicContact CB-CB 4.37Å; V180-L189 HydrophobicContact CG1-CB 4.17Å; V180-L189 HydrophobicContact CG1-CD1 4.24Å; V180-L189 PolarHBondContact O-N 2.81Å; K187-L189 HydrophobicContact CB-CD2 4.45Å; K187-L189 HydrophobicContact CD-CD2 4.25Å; K187-L189 HydrophobicContact CG-CD2 4.23Å; K187-L189 PolarHBondContact O-N 2.94Å; L189-C332 HydrophobicContact CD1-CB 4.39Å
190	F	90.9	Very high	89	Confident	22 Å²	22	54.2 Å²	54.2	10%	0.096	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	151.2	180	177.8	-91.8	0	0	0	110.5	L178 F179 V180 N607 D608 A611	L178-F190 HydrophobicContact CD2-CD1 3.57Å; L178-F190 HydrophobicContact CD2-CE1 3.73Å; F179-F190 CarbonylContact C-O 3.56Å; F179-F190 WeakPolarHBondContact CA-O 3.38Å; V180-F190 HydrophobicContact CB-CB 4Å; V180-F190 HydrophobicContact CG2-CB 3.94Å; V180-F190 HydrophobicContact CG2-CD1 4.28Å; V180-F190 PolarHBondContact N-O 3.05Å; V180-F190 PolarHBondContact O-N 3.46Å; F190-N607 HydrophobicContact CD2-CB 4.3Å; F190-D608 VanDerWaalsContact CE2-OD1 3.31Å; F190-D608 WeakPolarHBondContact CE2-OD1 3.37Å; F190-A611 HydrophobicContact CD1-CB 3.69Å; F190-A611 HydrophobicContact CD2-CB 4.38Å; F190-A611 HydrophobicContact CE1-CB 3.65Å; F190-A611 HydrophobicContact CE2-CB 4.34Å; F190-A611 HydrophobicContact CG-CB 4.08Å; F190-A611 HydrophobicContact CZ-CB 3.99Å
191	V	91.6	Very high	89	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	140.9	169.8	71.9	0	0	0	0	110.1	F177 L178 F179 I188 V195 Q203 L206 I207	F177-V191 HydrophobicContact CD2-CG2 3.84Å; F177-V191 HydrophobicContact CE2-CG2 4.38Å; L178-V191 CarbonylContact O-C 3.57Å; L178-V191 VanDerWaalsContact O-CA 3.31Å; L178-V191 WeakPolarHBondContact O-CA 3.3Å; L178-V191 WeakPolarHBondContact O-CG2 3.49Å; F179-V191 HydrophobicContact CB-CG2 4.19Å; I188-V191 HydrophobicContact CG2-CB 4.48Å; V191-V195 HydrophobicContact CG1-CG1 4.12Å; V191-V195 HydrophobicContact CG2-CB 3.73Å; V191-V195 HydrophobicContact CG2-CG1 3.81Å; V191-V195 HydrophobicContact CG2-CG2 3.93Å; V191-Q203 HydrophobicContact CG1-CB 4.01Å; V191-Q203 HydrophobicContact CG1-CG 4.03Å; V191-Q203 PolarHBondContact O-NE2 3.1Å; V191-L206 HydrophobicContact CG1-CB 4.18Å; V191-L206 HydrophobicContact CG1-CD1 4.32Å; V191-L206 HydrophobicContact CG2-CD1 4.33Å; V191-I207 HydrophobicContact CG1-CD1 4.38Å; V191-I207 HydrophobicContact CG1-CG1 4.06Å
192	S	89	Confident	88.9	Confident	9 Å²	9	56.2 Å²	56.2	6%	0.063	26%	0.264	C	S	.	.			trans	-76.8	148.3	178.3	65.2	0	0	0	0	112.3	F177 L178 S194 V195	F177-S192 WeakPolarHBondContact CA-OG 3.46Å; L178-S192 PolarHBondContact N-OG 2.86Å; L178-S192 PolarHBondContact O-N 3.22Å; S192-S194 PolarHBondContact O-N 3.41Å; S192-S194 PolarHBondContact OG-OG 2.92Å; S192-V195 WeakPolarHBondContact O-CB 3.38Å; S192-V195 VanDerWaalsContact O-CG1 3.25Å; S192-V195 WeakPolarHBondContact O-CG1 3.43Å; S192-V195 PolarHBondContact O-N 3.45Å
193	E	86.1	Confident	88.9	Confident	147 Å²	147	58.7 Å²	58.7	69%	0.687	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.6	-179.4	-164.8	-162.3	162.9	0	0	113.7	V195 Y196	E193-V195 PolarHBondContact O-N 2.93Å; E193-Y196 WeakPolarHBondContact O-CB 3.19Å; E193-Y196 PolarHBondContact O-N 2.83Å
194	S	86.4	Confident	89	Confident	24 Å²	24	64.1 Å²	64.1	17%	0.168	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-15.7	175.8	57.8	0	0	0	0	114.7	G176 F177 S192 Y196 K197	G176-S194 WeakPolarHBondContact O-CB 3.39Å; G176-S194 PolarHBondContact O-OG 3.37Å; F177-S194 WeakPolarHBondContact CA-OG 3.19Å; S192-S194 PolarHBondContact O-N 3.41Å; S192-S194 PolarHBondContact OG-OG 2.92Å; S194-Y196 PolarHBondContact O-N 3.11Å; S194-K197 PolarHBondContact O-N 2.8Å; S194-K197 VanDerWaalsContact O-N 3.1Å
195	V	89.5	Confident	89.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.7	-29.7	171.4	74.8	0	0	0	0	112.6	F177 V191 S192 E193 K197 I198 L199 L206	F177-V195 HydrophobicContact CB-CB 3.82Å; F177-V195 HydrophobicContact CB-CG2 4.35Å; F177-V195 HydrophobicContact CD1-CB 4.48Å; F177-V195 HydrophobicContact CD1-CG2 4.16Å; F177-V195 HydrophobicContact CD2-CB 3.91Å; F177-V195 HydrophobicContact CD2-CG2 3.64Å; F177-V195 HydrophobicContact CE1-CG2 4.39Å; F177-V195 HydrophobicContact CE2-CG2 3.89Å; F177-V195 HydrophobicContact CG-CB 3.82Å; F177-V195 HydrophobicContact CG-CG2 3.78Å; F177-V195 HydrophobicContact CZ-CG2 4.27Å; V191-V195 HydrophobicContact CG1-CG1 4.12Å; V191-V195 HydrophobicContact CG2-CB 3.73Å; V191-V195 HydrophobicContact CG2-CG1 3.81Å; V191-V195 HydrophobicContact CG2-CG2 3.93Å; S192-V195 WeakPolarHBondContact O-CB 3.38Å; S192-V195 VanDerWaalsContact O-CG1 3.25Å; S192-V195 WeakPolarHBondContact O-CG1 3.43Å; S192-V195 PolarHBondContact O-N 3.45Å; E193-V195 PolarHBondContact O-N 2.93Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.83Å; V195-I198 PolarHBondContact O-N 2.61Å; V195-L199 HydrophobicContact CG2-CB 4.22Å; V195-L199 HydrophobicContact CG2-CD1 3.78Å; V195-L199 HydrophobicContact CG2-CG 4.09Å; V195-L199 PolarHBondContact O-N 3Å; V195-L206 HydrophobicContact CB-CD1 4.44Å; V195-L206 HydrophobicContact CG1-CD1 4.01Å; V195-L206 HydrophobicContact CG2-CD1 3.6Å
196	Y	88.9	Confident	89.7	Confident	135 Å²	135	53.3 Å²	53.3	53%	0.529	26%	0.259	S	S	.	.	H	α-helix	trans	-62.2	-40.4	175.8	-176.3	-102.8	0	0	0	111.5	E193 S194 I198 N200 Y201	E193-Y196 WeakPolarHBondContact O-CB 3.19Å; E193-Y196 PolarHBondContact O-N 2.83Å; S194-Y196 PolarHBondContact O-N 3.11Å; Y196-I198 VanDerWaalsContact C-N 3.25Å; Y196-I198 PolarHBondContact O-N 3.4Å; Y196-N200 WeakPolarHBondContact O-CA 3.14Å; Y196-N200 PolarHBondContact O-N 3.5Å; Y196-N200 PolarHBondContact O-OD1 3.35Å; Y196-Y201 VanDerWaalsContact CA-O 3.23Å; Y196-Y201 WeakPolarHBondContact CA-O 3.48Å; Y196-Y201 WeakPolarHBondContact CB-O 3.48Å; Y196-Y201 PolarHBondContact N-O 3.49Å
197	K	86.4	Confident	90	Very high	180 Å²	180	56.4 Å²	56.4	78%	0.783	28%	0.275	S	S	*	.	H	α-helix	trans	-68	-23.2	-180	-59.2	-178.5	-178.4	178.2	0	113.4	S194 V195	S194-K197 PolarHBondContact O-N 2.8Å; S194-K197 VanDerWaalsContact O-N 3.1Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.83Å
198	I	85.4	Confident	89.8	Confident	23 Å²	23	53.2 Å²	53.2	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-106.3	-39.3	-172.5	-67.5	165.2	0	0	0	112.3	G176 F177 V195 Y196 I301 L339	G176-I198 VanDerWaalsContact CA-CD1 3.44Å; F177-I198 HydrophobicContact CD1-CB 4.21Å; F177-I198 HydrophobicContact CD1-CD1 3.93Å; F177-I198 HydrophobicContact CD1-CG2 4.08Å; F177-I198 HydrophobicContact CE1-CG2 4.05Å; V195-I198 PolarHBondContact O-N 2.61Å; Y196-I198 VanDerWaalsContact C-N 3.25Å; Y196-I198 PolarHBondContact O-N 3.4Å; I198-I301 HydrophobicContact CG2-CD1 3.96Å; I198-L339 HydrophobicContact CG2-CB 4.06Å
199	L	88.4	Confident	89.8	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-116.3	-6.2	-176.4	-56.9	-175.5	0	0	0	114.2	F177 V195 Y201 M270 C272 N273 C299 I301	F177-L199 HydrophobicContact CE1-CD1 4.03Å; F177-L199 HydrophobicContact CE1-CG 4.16Å; F177-L199 HydrophobicContact CE2-CD1 4.43Å; F177-L199 HydrophobicContact CZ-CD1 3.76Å; F177-L199 HydrophobicContact CZ-CG 4.4Å; V195-L199 HydrophobicContact CG2-CB 4.22Å; V195-L199 HydrophobicContact CG2-CD1 3.78Å; V195-L199 HydrophobicContact CG2-CG 4.09Å; V195-L199 PolarHBondContact O-N 3Å; L199-Y201 VanDerWaalsContact C-N 3.25Å; L199-Y201 HydrophobicContact CB-CD2 3.95Å; L199-Y201 VanDerWaalsContact O-CD2 3.27Å; L199-Y201 WeakPolarHBondContact O-CD2 3.33Å; L199-Y201 PolarHBondContact O-N 2.87Å; L199-M270 HydrophobicContact CD1-CB 4.29Å; L199-M270 HydrophobicContact CD1-CE 3.84Å; L199-M270 HydrophobicContact CD1-SD 4.18Å; L199-M270 HydrophobicContact CD2-CB 4.06Å; L199-C272 CarbonylContact O-C 3.59Å; L199-C272 WeakPolarHBondContact O-CA 3.37Å; L199-N273 PolarHBondContact O-N 3.36Å; L199-C299 WeakPolarHBondContact CD2-SG 3.4Å; L199-I301 HydrophobicContact CD2-CD1 4.17Å; L199-I301 HydrophobicContact CD2-CG1 4.37Å
200	N	89.6	Confident	90	Very high	54 Å²	54	54.8 Å²	54.8	29%	0.289	28%	0.279	S	S	.	.	S	Bend	trans	57.1	29.9	-175.7	-59.6	-46.4	0	0	0	114.7	Y196 N273	Y196-N200 WeakPolarHBondContact O-CA 3.14Å; Y196-N200 PolarHBondContact O-N 3.5Å; Y196-N200 PolarHBondContact O-OD1 3.35Å; N200-N273 HydrophobicContact CB-CB 3.83Å; N200-N273 WeakPolarHBondContact CB-O 3.38Å; N200-N273 PolarHBondContact ND2-O 3.14Å; N200-N273 VanDerWaalsContact O-CB 3.26Å; N200-N273 WeakPolarHBondContact O-CB 3.44Å; N200-N273 PolarHBondContact O-ND2 3.32Å
201	Y	90.8	Very high	90.1	Very high	13 Å²	13	54 Å²	54	5%	0.051	28%	0.276	C	S	.	.			trans	-110.1	146.1	167.4	-69.1	-83.4	0	0	0	110.1	Y196 L199 D205 L206 Y214 K271 N273	Y196-Y201 VanDerWaalsContact CA-O 3.23Å; Y196-Y201 WeakPolarHBondContact CA-O 3.48Å; Y196-Y201 WeakPolarHBondContact CB-O 3.48Å; Y196-Y201 PolarHBondContact N-O 3.49Å; L199-Y201 VanDerWaalsContact C-N 3.25Å; L199-Y201 HydrophobicContact CB-CD2 3.95Å; L199-Y201 VanDerWaalsContact O-CD2 3.27Å; L199-Y201 WeakPolarHBondContact O-CD2 3.33Å; L199-Y201 PolarHBondContact O-N 2.87Å; Y201-D205 HydrophobicContact CD1-CB 3.89Å; Y201-L206 HydrophobicContact CD1-CD2 4.36Å; Y201-L206 HydrophobicContact CD2-CD2 4.3Å; Y201-L206 HydrophobicContact CG-CD2 3.96Å; Y201-L206 HydrophobicContact CG-CG 4.37Å; Y201-Y214 HydrophobicContact CD1-CE1 4.12Å; Y201-Y214 HydrophobicContact CE1-CD1 4.4Å; Y201-Y214 AromaticContact CE1-CE1 3.66Å; Y201-Y214 HydrophobicContact CE1-CE1 3.66Å; Y201-Y214 HydrophobicContact CE2-CD1 4.18Å; Y201-Y214 HydrophobicContact CE2-CE1 4.22Å; Y201-Y214 AromaticContact CZ-CE1 3.72Å; Y201-K271 VanDerWaalsContact CE2-O 3.31Å; Y201-K271 WeakPolarHBondContact CE2-O 3.34Å; Y201-K271 VanDerWaalsContact OH-CD 3.25Å; Y201-K271 WeakPolarHBondContact OH-CD 3.36Å; Y201-K271 WeakPolarHBondContact OH-CE 3.38Å; Y201-K271 WeakPolarHBondContact OH-CG 3.35Å; Y201-K271 PolarHBondContact OH-NZ 2.93Å; Y201-N273 HydrophobicContact CD1-CB 4.38Å; Y201-N273 HydrophobicContact CD2-CB 4.11Å; Y201-N273 HydrophobicContact CE1-CB 4.02Å; Y201-N273 HydrophobicContact CE2-CB 3.71Å; Y201-N273 HydrophobicContact CG-CB 4.42Å
202	S	90.9	Very high	90.3	Very high	41 Å²	41	55.3 Å²	55.3	29%	0.287	28%	0.281	S	S	.	.			trans	-73.8	165	167.2	73.7	0	0	0	0	110.7	N204 D205	S202-N204 PolarHBondContact O-N 3.09Å; S202-N204 PolarHBondContact OG-N 2.92Å; S202-D205 VanDerWaalsContact CB-OD2 3.31Å; S202-D205 WeakPolarHBondContact CB-OD2 3.29Å; S202-D205 PolarHBondContact N-OD2 3.1Å; S202-D205 PolarHBondContact O-N 3.14Å; S202-D205 PolarHBondContact OG-N 3.23Å; S202-D205 PolarHBondContact OG-OD2 2.93Å
203	Q	90.9	Very high	90.5	Very high	56 Å²	56	60.4 Å²	60.4	26%	0.262	31%	0.308	S	S	.	.	H	α-helix	trans	-58.6	-37.7	172	-62.1	173.2	-76.1	0	0	111.1	V191 D205 L206 I207	V191-Q203 HydrophobicContact CG1-CB 4.01Å; V191-Q203 HydrophobicContact CG1-CG 4.03Å; V191-Q203 PolarHBondContact O-NE2 3.1Å; Q203-D205 VanDerWaalsContact C-N 3.34Å; Q203-D205 PolarHBondContact O-N 3.49Å; Q203-L206 PolarHBondContact O-N 3.49Å; Q203-I207 HydrophobicContact CB-CD1 4Å; Q203-I207 WeakPolarHBondContact O-CB 3.45Å; Q203-I207 VanDerWaalsContact O-CG1 3.28Å; Q203-I207 WeakPolarHBondContact O-CG1 3.41Å; Q203-I207 PolarHBondContact O-N 3.14Å
204	N	91.1	Very high	90.8	Very high	141 Å²	141	54.9 Å²	54.9	75%	0.754	28%	0.281	S	S	*	.	H	α-helix	trans	-68.4	-27.3	-178.2	-62.3	-19.6	0	0	0	113.6	S202 L206	S202-N204 PolarHBondContact O-N 3.09Å; S202-N204 PolarHBondContact OG-N 2.92Å; N204-L206 VanDerWaalsContact C-N 3.31Å
205	D	91.4	Very high	91.2	Very high	73 Å²	73	54.1 Å²	54.1	39%	0.39	28%	0.275	S	S	.	.	H	α-helix	trans	-73.3	-25.7	175.8	-58.9	-58.1	0	0	0	112.5	Y201 S202 Q203 Q209 Y214	Y201-D205 HydrophobicContact CD1-CB 3.89Å; S202-D205 VanDerWaalsContact CB-OD2 3.31Å; S202-D205 WeakPolarHBondContact CB-OD2 3.29Å; S202-D205 PolarHBondContact N-OD2 3.1Å; S202-D205 PolarHBondContact O-N 3.14Å; S202-D205 PolarHBondContact OG-N 3.23Å; S202-D205 PolarHBondContact OG-OD2 2.93Å; Q203-D205 VanDerWaalsContact C-N 3.34Å; Q203-D205 PolarHBondContact O-N 3.49Å; D205-Q209 WeakPolarHBondContact O-CG 3.45Å; D205-Y214 PolarHBondContact O-OH 3.29Å
206	L	91.4	Very high	91.3	Very high	7 Å²	7	56 Å²	56	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-103.3	-41.6	-171.5	-62.3	-177.1	0	0	0	112.8	I188 V191 V195 Y201 Q203 N204 G208 Q209 Y214	I188-L206 WeakPolarHBondContact CB-O 3.33Å; I188-L206 HydrophobicContact CD1-CB 4.17Å; I188-L206 WeakPolarHBondContact CD1-O 3.37Å; V191-L206 HydrophobicContact CG1-CB 4.18Å; V191-L206 HydrophobicContact CG1-CD1 4.32Å; V191-L206 HydrophobicContact CG2-CD1 4.33Å; V195-L206 HydrophobicContact CB-CD1 4.44Å; V195-L206 HydrophobicContact CG1-CD1 4.01Å; V195-L206 HydrophobicContact CG2-CD1 3.6Å; Y201-L206 HydrophobicContact CD1-CD2 4.36Å; Y201-L206 HydrophobicContact CD2-CD2 4.3Å; Y201-L206 HydrophobicContact CG-CD2 3.96Å; Y201-L206 HydrophobicContact CG-CG 4.37Å; Q203-L206 PolarHBondContact O-N 3.49Å; N204-L206 VanDerWaalsContact C-N 3.31Å; L206-G208 PolarHBondContact O-N 3.32Å; L206-Q209 WeakPolarHBondContact O-CB 3.43Å; L206-Q209 PolarHBondContact O-N 3.12Å; L206-Y214 HydrophobicContact CD2-CD1 3.88Å; L206-Y214 HydrophobicContact CD2-CD2 3.93Å; L206-Y214 HydrophobicContact CD2-CE1 3.64Å; L206-Y214 HydrophobicContact CD2-CE2 3.64Å; L206-Y214 HydrophobicContact CD2-CG 4.03Å
207	I	93.6	Very high	91.5	Very high	66 Å²	66	54.2 Å²	54.2	34%	0.338	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	135.5	-179.1	-69.4	168.9	0	0	0	110	V191 Q203 Q209	V191-I207 HydrophobicContact CG1-CD1 4.38Å; V191-I207 HydrophobicContact CG1-CG1 4.06Å; Q203-I207 HydrophobicContact CB-CD1 4Å; Q203-I207 WeakPolarHBondContact O-CB 3.45Å; Q203-I207 VanDerWaalsContact O-CG1 3.28Å; Q203-I207 WeakPolarHBondContact O-CG1 3.41Å; Q203-I207 PolarHBondContact O-N 3.14Å; I207-Q209 PolarHBondContact O-N 3.13Å
208	G	89.7	Confident	91.7	Very high	35 Å²	35	52.8 Å²	52.8	36%	0.361	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-19.7	-178.1	0	0	0	0	0	115.3	K187 I188 L206	K187-G208 WeakPolarHBondContact CE-O 3.47Å; I188-G208 PolarHBondContact O-N 2.96Å; L206-G208 PolarHBondContact O-N 3.32Å
209	Q	93.5	Very high	92.1	Very high	94 Å²	94	51.7 Å²	51.7	44%	0.439	28%	0.277	S	S	.	.	S	Bend	trans	-82.4	168.6	-179.2	-53.4	-57	-23	0	0	112.6	K187 I188 D205 L206 I207 Y214	K187-Q209 CarbonylContact C-O 3.59Å; K187-Q209 WeakPolarHBondContact CA-O 3.39Å; I188-Q209 PolarHBondContact N-O 3.2Å; D205-Q209 WeakPolarHBondContact O-CG 3.45Å; L206-Q209 WeakPolarHBondContact O-CB 3.43Å; L206-Q209 PolarHBondContact O-N 3.12Å; I207-Q209 PolarHBondContact O-N 3.13Å; Q209-Y214 HydrophobicContact CB-CE2 3.86Å; Q209-Y214 HydrophobicContact CG-CE2 4.3Å
210	S	94.3	Very high	92.4	Very high	26 Å²	26	53.6 Å²	53.6	18%	0.182	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-84	133	171.6	-164.2	0	0	0	0	111.5	R185 F212 D213	R185-S210 PolarHBondContact O-OG 2.91Å; S210-F212 PolarHBondContact O-N 3.41Å; S210-F212 VanDerWaalsContact O-N 3.15Å; S210-F212 WeakPolarHBondContact OG-CD2 3.47Å; S210-D213 WeakPolarHBondContact CB-OD2 3.32Å; S210-D213 PolarHBondContact O-N 3.05Å
211	L	94.1	Very high	92.5	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-54.2	-31.9	171.8	-177.9	68.9	0	0	0	111.8	V181 G186 I188 D213 Y214 L215 V223 M270	V181-L211 HydrophobicContact CG1-CB 4.38Å; V181-L211 HydrophobicContact CG1-CD2 4.19Å; V181-L211 HydrophobicContact CG2-CB 4.22Å; V181-L211 HydrophobicContact CG2-CD1 4.46Å; V181-L211 HydrophobicContact CG2-CD2 4.17Å; G186-L211 WeakPolarHBondContact O-CB 3.33Å; G186-L211 PolarHBondContact O-N 2.86Å; I188-L211 HydrophobicContact CD1-CD1 4.43Å; I188-L211 HydrophobicContact CG1-CB 4.25Å; L211-D213 VanDerWaalsContact C-N 3.29Å; L211-D213 PolarHBondContact O-N 3.49Å; L211-Y214 PolarHBondContact O-N 2.93Å; L211-L215 HydrophobicContact CD2-CD1 4.16Å; L211-L215 HydrophobicContact CG-CD1 3.87Å; L211-L215 HydrophobicContact CG-CG 4.33Å; L211-L215 WeakPolarHBondContact O-CG 3.11Å; L211-L215 PolarHBondContact O-N 3.47Å; L211-V223 HydrophobicContact CD2-CG1 3.88Å; L211-M270 HydrophobicContact CD1-CE 3.81Å
212	F	94.3	Very high	92.5	Very high	31 Å²	31	58.3 Å²	58.3	14%	0.136	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-65.9	-28	-176.8	-53.1	-51.1	0	0	0	113.4	S210 Y214 L215 I220 V223 K224 L227	S210-F212 PolarHBondContact O-N 3.41Å; S210-F212 VanDerWaalsContact O-N 3.15Å; S210-F212 WeakPolarHBondContact OG-CD2 3.47Å; F212-Y214 VanDerWaalsContact C-N 3.27Å; F212-Y214 PolarHBondContact O-N 3.28Å; F212-L215 HydrophobicContact CD1-CD1 4.15Å; F212-L215 PolarHBondContact O-N 2.84Å; F212-I220 HydrophobicContact CB-CD1 4.33Å; F212-I220 HydrophobicContact CB-CG1 4.45Å; F212-I220 HydrophobicContact CB-CG2 4.31Å; F212-I220 HydrophobicContact CD1-CG2 3.83Å; F212-I220 HydrophobicContact CG-CG2 4.18Å; F212-V223 HydrophobicContact CE1-CG1 4.47Å; F212-K224 HydrophobicContact CD1-CG 4.35Å; F212-K224 HydrophobicContact CE1-CD 4.34Å; F212-K224 HydrophobicContact CE1-CG 3.49Å; F212-K224 VanDerWaalsContact CE1-CG 3.49Å; F212-K224 HydrophobicContact CE2-CG 4.37Å; F212-K224 HydrophobicContact CZ-CD 4.19Å; F212-K224 HydrophobicContact CZ-CG 3.51Å; F212-L227 HydrophobicContact CE1-CD1 4Å; F212-L227 HydrophobicContact CZ-CD1 3.81Å
213	D	93	Very high	92.6	Very high	116 Å²	116	56.5 Å²	56.5	62%	0.62	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-73.3	-22.3	178	-59	-47.3	0	0	0	112.6	S210 L211	S210-D213 WeakPolarHBondContact CB-OD2 3.32Å; S210-D213 PolarHBondContact O-N 3.05Å; L211-D213 VanDerWaalsContact C-N 3.29Å; L211-D213 PolarHBondContact O-N 3.49Å
214	Y	92.9	Very high	92.6	Very high	31 Å²	31	59 Å²	59	12%	0.122	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-95.8	-2.5	176	-66.4	-75.9	0	0	0	113.2	I188 Y201 D205 L206 Q209 L211 F212 M270 K271	I188-Y214 HydrophobicContact CD1-CD2 4.38Å; Y201-Y214 HydrophobicContact CD1-CE1 4.12Å; Y201-Y214 HydrophobicContact CE1-CD1 4.4Å; Y201-Y214 AromaticContact CE1-CE1 3.66Å; Y201-Y214 HydrophobicContact CE1-CE1 3.66Å; Y201-Y214 HydrophobicContact CE2-CD1 4.18Å; Y201-Y214 HydrophobicContact CE2-CE1 4.22Å; Y201-Y214 AromaticContact CZ-CE1 3.72Å; D205-Y214 PolarHBondContact O-OH 3.29Å; L206-Y214 HydrophobicContact CD2-CD1 3.88Å; L206-Y214 HydrophobicContact CD2-CD2 3.93Å; L206-Y214 HydrophobicContact CD2-CE1 3.64Å; L206-Y214 HydrophobicContact CD2-CE2 3.64Å; L206-Y214 HydrophobicContact CD2-CG 4.03Å; Q209-Y214 HydrophobicContact CB-CE2 3.86Å; Q209-Y214 HydrophobicContact CG-CE2 4.3Å; L211-Y214 PolarHBondContact O-N 2.93Å; F212-Y214 VanDerWaalsContact C-N 3.27Å; F212-Y214 PolarHBondContact O-N 3.28Å; Y214-M270 CarbonylContact O-C 3.56Å; Y214-M270 WeakPolarHBondContact O-CA 3.33Å; Y214-K271 HydrophobicContact CD1-CD 4.48Å; Y214-K271 WeakPolarHBondContact O-CB 3.37Å; Y214-K271 PolarHBondContact O-N 3.27Å
215	L	94.1	Very high	92.6	Very high	8 Å²	8	57 Å²	57	4%	0.042	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-98.1	152.7	179.3	-76.8	168.9	0	0	0	112.7	L211 F212 I220 V223 C268 M270	L211-L215 HydrophobicContact CD2-CD1 4.16Å; L211-L215 HydrophobicContact CG-CD1 3.87Å; L211-L215 HydrophobicContact CG-CG 4.33Å; L211-L215 WeakPolarHBondContact O-CG 3.11Å; L211-L215 PolarHBondContact O-N 3.47Å; F212-L215 HydrophobicContact CD1-CD1 4.15Å; F212-L215 PolarHBondContact O-N 2.84Å; L215-I220 HydrophobicContact CB-CG1 3.99Å; L215-V223 HydrophobicContact CD1-CB 3.88Å; L215-V223 HydrophobicContact CD1-CG1 3.92Å; L215-V223 HydrophobicContact CD1-CG2 3.76Å; L215-V223 HydrophobicContact CD2-CG2 4.29Å; L215-C268 HydrophobicContact CD2-CB 3.77Å; L215-M270 HydrophobicContact CD2-CG 4.01Å
216	H	93.3	Very high	92.5	Very high	40 Å²	40	55.6 Å²	55.6	19%	0.185	29%	0.292	C	S	.	.			trans	-67.6	132.4	169.6	-178.5	-101.6	0	0	0	110.6	K218 D219 I220 R269 F298	H216-K218 VanDerWaalsContact C-N 3.28Å; H216-K218 PolarHBondContact ND1-N 2.9Å; H216-K218 PolarHBondContact O-N 3.42Å; H216-D219 IonicContact ND1-OD1 3.99Å; H216-D219 WeakPolarHBondContact O-CB 3.25Å; H216-D219 PolarHBondContact O-N 2.94Å; H216-I220 PolarHBondContact O-N 3.32Å; H216-R269 HydrophobicContact CB-CB 3.61Å; H216-R269 PolarHBondContact N-O 3.46Å; H216-F298 HydrophobicContact CB-CD1 3.86Å; H216-F298 HydrophobicContact CB-CE1 3.74Å; H216-F298 HydrophobicContact CB-CG 4.47Å; H216-F298 HydrophobicContact CB-CZ 4.24Å; H216-F298 AromaticContact CD2-CE2 3.88Å; H216-F298 AromaticContact CD2-CZ 3.98Å
217	P	92.1	Very high	92.3	Very high	96 Å²	96	55.4 Å²	55.4	62%	0.623	29%	0.291	S	S	*	.	H	α-helix	trans	-55.3	-32.7	-171.3	-31.5	36.6	0	0	0	116.3	D219	P217-D219 PolarHBondContact O-N 3.03Å
218	K	91.7	Very high	91.8	Very high	150 Å²	150	55.7 Å²	55.7	65%	0.652	30%	0.299	S	S	*	.	H	α-helix	trans	-68.1	-15.8	175.9	-65.9	-168.6	176.9	-170.1	0	114.3	H216	H216-K218 VanDerWaalsContact C-N 3.28Å; H216-K218 PolarHBondContact ND1-N 2.9Å; H216-K218 PolarHBondContact O-N 3.42Å
219	D	93.8	Very high	90.7	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-104.8	-18.1	-172.5	-55	-9.4	0	0	0	111.4	H216 P217 A221 K222 V223 R269 L383 Q385	H216-D219 IonicContact ND1-OD1 3.99Å; H216-D219 WeakPolarHBondContact O-CB 3.25Å; H216-D219 PolarHBondContact O-N 2.94Å; P217-D219 PolarHBondContact O-N 3.03Å; D219-A221 VanDerWaalsContact C-N 3.31Å; D219-A221 PolarHBondContact O-N 2.91Å; D219-K222 PolarHBondContact O-N 3.4Å; D219-V223 PolarHBondContact O-N 2.91Å; D219-R269 IonicContact OD1-CZ 3.54Å; D219-R269 IonicContact OD1-NE 2.8Å; D219-R269 IonicContact OD1-NH2 3.46Å; D219-R269 PolarHBondContact OD1-NH2 3.1Å; D219-R269 WeakPolarHBondContact OD2-CB 3.5Å; D219-R269 IonicContact OD2-CZ 3.38Å; D219-R269 PolarHBondContact OD2-N 3.15Å; D219-R269 IonicContact OD2-NE 3.95Å; D219-R269 PolarHBondContact OD2-NE 3.26Å; D219-R269 IonicContact OD2-NH2 3.3Å; D219-R269 PolarHBondContact OD2-NH2 2.79Å; D219-L383 WeakPolarHBondContact OD2-CD2 3.18Å; D219-Q385 PolarHBondContact OD1-NE2 2.82Å
220	I	93.2	Very high	88.8	Confident	42 Å²	42	56.3 Å²	56.3	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-52.2	-46.1	178.8	-67	175.9	0	0	0	111.8	F212 L215 H216 K222 V223 K224	F212-I220 HydrophobicContact CB-CD1 4.33Å; F212-I220 HydrophobicContact CB-CG1 4.45Å; F212-I220 HydrophobicContact CB-CG2 4.31Å; F212-I220 HydrophobicContact CD1-CG2 3.83Å; F212-I220 HydrophobicContact CG-CG2 4.18Å; L215-I220 HydrophobicContact CB-CG1 3.99Å; H216-I220 PolarHBondContact O-N 3.32Å; I220-K222 VanDerWaalsContact C-N 3.33Å; I220-K222 PolarHBondContact O-N 3.3Å; I220-V223 PolarHBondContact O-N 2.83Å; I220-K224 HydrophobicContact CG2-CD 4.3Å; I220-K224 WeakPolarHBondContact O-CG 3.25Å; I220-K224 PolarHBondContact O-N 3.48Å
221	A	92.4	Very high	86.6	Confident	70 Å²	70	60.3 Å²	60.3	58%	0.579	33%	0.328	S	S	*	.	H	α-helix	trans	-61.6	-40.2	179.2	0	0	0	0	0	112.2	D219 K224 E225	D219-A221 VanDerWaalsContact C-N 3.31Å; D219-A221 PolarHBondContact O-N 2.91Å; A221-K224 PolarHBondContact O-N 2.94Å; A221-E225 PolarHBondContact O-N 3.15Å
222	K	91.1	Very high	84.5	Confident	96 Å²	96	64.5 Å²	64.5	42%	0.417	35%	0.353	S	S	.	.	H	α-helix	trans	-72.5	-32.5	177.9	-79.5	-74.1	164.6	-160.8	0	112.7	D219 I220 E225 Q226	D219-K222 PolarHBondContact O-N 3.4Å; I220-K222 VanDerWaalsContact C-N 3.33Å; I220-K222 PolarHBondContact O-N 3.3Å; K222-E225 WeakPolarHBondContact CD-OE2 3Å; K222-E225 WeakPolarHBondContact CE-OE2 3.22Å; K222-E225 IonicContact NZ-OE1 3.73Å; K222-E225 PolarHBondContact NZ-OE1 2.8Å; K222-E225 IonicContact NZ-OE2 3.27Å; K222-E225 PolarHBondContact NZ-OE2 3.04Å; K222-Q226 WeakPolarHBondContact O-CG 3.15Å; K222-Q226 PolarHBondContact O-N 2.91Å
223	V	92.7	Very high	81.9	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.012	37%	0.369	C	S	.	.	H	α-helix	trans	-72.1	-36.5	172.2	-179.6	0	0	0	0	111.3	L211 F212 L215 D219 I220 E225 Q226 L227 F266 C268	L211-V223 HydrophobicContact CD2-CG1 3.88Å; F212-V223 HydrophobicContact CE1-CG1 4.47Å; L215-V223 HydrophobicContact CD1-CB 3.88Å; L215-V223 HydrophobicContact CD1-CG1 3.92Å; L215-V223 HydrophobicContact CD1-CG2 3.76Å; L215-V223 HydrophobicContact CD2-CG2 4.29Å; D219-V223 PolarHBondContact O-N 2.91Å; I220-V223 PolarHBondContact O-N 2.83Å; V223-E225 VanDerWaalsContact C-N 3.33Å; V223-E225 PolarHBondContact O-N 2.66Å; V223-Q226 PolarHBondContact O-N 2.88Å; V223-Q226 VanDerWaalsContact O-N 3.1Å; V223-L227 HydrophobicContact CG1-CD1 4.13Å; V223-L227 HydrophobicContact CG1-CG 4.34Å; V223-L227 WeakPolarHBondContact O-CG 3.46Å; V223-L227 PolarHBondContact O-N 2.85Å; V223-F266 HydrophobicContact CG1-CE2 4.26Å; V223-F266 HydrophobicContact CG1-CZ 4.26Å; V223-F266 HydrophobicContact CG2-CD2 4.19Å; V223-F266 HydrophobicContact CG2-CE2 3.82Å; V223-C268 HydrophobicContact CG2-CB 3.91Å
224	K	91.8	Very high	79.4	Confident	108 Å²	108	65.5 Å²	65.5	47%	0.47	37%	0.374	S	S	.	.	H	α-helix	trans	-61.6	-38.7	172.2	-75.7	-173.8	176.1	-166.7	0	112.8	F212 I220 A221 Q226 L227 S228	F212-K224 HydrophobicContact CD1-CG 4.35Å; F212-K224 HydrophobicContact CE1-CD 4.34Å; F212-K224 HydrophobicContact CE1-CG 3.49Å; F212-K224 VanDerWaalsContact CE1-CG 3.49Å; F212-K224 HydrophobicContact CE2-CG 4.37Å; F212-K224 HydrophobicContact CZ-CD 4.19Å; F212-K224 HydrophobicContact CZ-CG 3.51Å; I220-K224 HydrophobicContact CG2-CD 4.3Å; I220-K224 WeakPolarHBondContact O-CG 3.25Å; I220-K224 PolarHBondContact O-N 3.48Å; A221-K224 PolarHBondContact O-N 2.94Å; K224-Q226 VanDerWaalsContact C-N 3.28Å; K224-Q226 PolarHBondContact O-N 3.3Å; K224-L227 PolarHBondContact O-N 3.46Å; K224-S228 WeakPolarHBondContact O-CB 3.04Å; K224-S228 PolarHBondContact O-N 2.73Å; K224-S228 PolarHBondContact O-OG 3.27Å
225	E	90.1	Very high	77	Confident	99 Å²	99	74.4 Å²	74.4	46%	0.463	41%	0.407	S	S	.	.	H	α-helix	trans	-62.4	-32.1	172.3	-177.7	-177.2	140.5	0	0	112.7	A221 K222 V223	A221-E225 PolarHBondContact O-N 3.15Å; K222-E225 WeakPolarHBondContact CD-OE2 3Å; K222-E225 WeakPolarHBondContact CE-OE2 3.22Å; K222-E225 IonicContact NZ-OE1 3.73Å; K222-E225 PolarHBondContact NZ-OE1 2.8Å; K222-E225 IonicContact NZ-OE2 3.27Å; K222-E225 PolarHBondContact NZ-OE2 3.04Å; V223-E225 VanDerWaalsContact C-N 3.33Å; V223-E225 PolarHBondContact O-N 2.66Å
226	Q	89.8	Confident	74.5	Confident	45 Å²	45	80.8 Å²	80.8	21%	0.21	44%	0.437	C	S	.	.	H	α-helix	trans	-81.2	-34.9	175.8	-64.8	-70.2	-62.1	0	0	113.1	K222 V223 K224 S228 R264 F266	K222-Q226 WeakPolarHBondContact O-CG 3.15Å; K222-Q226 PolarHBondContact O-N 2.91Å; V223-Q226 PolarHBondContact O-N 2.88Å; V223-Q226 VanDerWaalsContact O-N 3.1Å; K224-Q226 VanDerWaalsContact C-N 3.28Å; K224-Q226 PolarHBondContact O-N 3.3Å; Q226-S228 VanDerWaalsContact C-N 3.28Å; Q226-R264 VanDerWaalsContact O-CD 3.31Å; Q226-R264 WeakPolarHBondContact O-CD 3.37Å; Q226-R264 PolarHBondContact O-NE 2.99Å; Q226-F266 HydrophobicContact CB-CD1 3.77Å; Q226-F266 HydrophobicContact CB-CE1 3.85Å; Q226-F266 HydrophobicContact CB-CG 4.47Å; Q226-F266 HydrophobicContact CG-CB 4.04Å; Q226-F266 HydrophobicContact CG-CD1 3.56Å; Q226-F266 HydrophobicContact CG-CE1 4.16Å; Q226-F266 HydrophobicContact CG-CG 3.89Å
227	L	87	Confident	72.1	Confident	3 Å²	3	89 Å²	89	2%	0.016	47%	0.467	C	S	.	.	H	α-helix	trans	-72.7	-22.5	173.4	-69.6	173.6	0	0	0	112.6	V181 C183 F212 V223 K224 S229 L333	V181-L227 HydrophobicContact CG1-CD1 4.09Å; V181-L227 HydrophobicContact CG1-CD2 3.97Å; C183-L227 WeakPolarHBondContact CB-O 3.38Å; F212-L227 HydrophobicContact CE1-CD1 4Å; F212-L227 HydrophobicContact CZ-CD1 3.81Å; V223-L227 HydrophobicContact CG1-CD1 4.13Å; V223-L227 HydrophobicContact CG1-CG 4.34Å; V223-L227 WeakPolarHBondContact O-CG 3.46Å; V223-L227 PolarHBondContact O-N 2.85Å; K224-L227 PolarHBondContact O-N 3.46Å; L227-S229 PolarHBondContact O-N 3.28Å; L227-L333 HydrophobicContact CD2-CB 3.64Å; L227-L333 HydrophobicContact CD2-CD2 3.8Å; L227-L333 HydrophobicContact CD2-CG 4.38Å
228	S	83.6	Confident	70.1	Confident	71 Å²	71	89.4 Å²	89.4	50%	0.497	46%	0.463	S	S	.	.	S	Bend	trans	-61.9	124.4	172.9	-63.9	0	0	0	0	110.3	K224 Q226 S230 R264	K224-S228 WeakPolarHBondContact O-CB 3.04Å; K224-S228 PolarHBondContact O-N 2.73Å; K224-S228 PolarHBondContact O-OG 3.27Å; Q226-S228 VanDerWaalsContact C-N 3.28Å; S228-S230 PolarHBondContact O-N 2.98Å; S228-S230 VanDerWaalsContact O-N 3.1Å; S228-R264 PolarHBondContact O-NH2 3.01Å; S228-R264 VanDerWaalsContact O-NH2 3.15Å
229	S	65.9	Low	68.4	Low	74 Å²	74	87.8 Å²	87.8	52%	0.517	46%	0.46	S	S	.	.			trans	-69.2	105.2	175.5	50	0	0	0	0	109.7	L227 D231	L227-S229 PolarHBondContact O-N 3.28Å; S229-D231 PolarHBondContact O-N 3Å
230	S	54.7	Low	66.4	Low	69 Å²	69	90.8 Å²	90.8	48%	0.483	48%	0.476	S	S	.	.			trans	-71.3	82.6	168.9	56.1	0	0	0	0	109.2	S228 T232 G261 R264	S228-S230 PolarHBondContact O-N 2.98Å; S228-S230 VanDerWaalsContact O-N 3.1Å; S230-T232 PolarHBondContact O-N 3.01Å; S230-G261 PolarHBondContact OG-O 2.87Å; S230-R264 PolarHBondContact OG-NH2 2.92Å
231	D	48.1	Very low	64.5	Low	110 Å²	110	93.8 Å²	93.8	59%	0.588	51%	0.507	S	S	*	.			trans	21.5	77.9	177.6	-155.8	-2.3	0	0	0	115.5	S229 A233	S229-D231 PolarHBondContact O-N 3Å; D231-A233 PolarHBondContact O-N 2.84Å; D231-A233 WeakPolarHBondContact OD1-CB 3.32Å; D231-A233 PolarHBondContact OD1-N 2.79Å
232	T	48	Very low	62.3	Low	92 Å²	92	99.7 Å²	99.7	56%	0.564	52%	0.52	S	S	*	.			trans	-85.7	18.5	173.3	56.5	0	0	0	0	112.5	S230 P234	S230-T232 PolarHBondContact O-N 3.01Å; T232-P234 VanDerWaalsContact O-CD 3.3Å; T232-P234 WeakPolarHBondContact O-CD 3.42Å
233	A	40.9	Very low	60.6	Low	56 Å²	56	99.3 Å²	99.3	46%	0.463	53%	0.526	S	S	.	.			trans	-86.1	115	169.9	0	0	0	0	0	109.7	D231 R235	D231-A233 PolarHBondContact O-N 2.84Å; D231-A233 WeakPolarHBondContact OD1-CB 3.32Å; D231-A233 PolarHBondContact OD1-N 2.79Å; A233-R235 VanDerWaalsContact C-N 3.31Å; A233-R235 PolarHBondContact O-N 3.02Å
234	P	40.1	Very low	58.4	Low	113 Å²	113	102.1 Å²	102.1	73%	0.734	56%	0.555	S	S	*	*			trans	-62.1	103.4	151.9	28	-30.5	0	0	0	106.1	T232 E236	T232-P234 VanDerWaalsContact O-CD 3.3Å; T232-P234 WeakPolarHBondContact O-CD 3.42Å; P234-E236 PolarHBondContact O-N 2.93Å
235	R	42.5	Very low	56.1	Low	217 Å²	217	102.6 Å²	102.6	82%	0.819	56%	0.562	S	S	*	*			trans	-76.5	30.5	-170.5	-148.1	171.8	-176.5	171.6	0.7	113.3	A233 R237	A233-R235 VanDerWaalsContact C-N 3.31Å; A233-R235 PolarHBondContact O-N 3.02Å; R235-R237 PolarHBondContact O-N 3.37Å; R235-R237 VanDerWaalsContact O-N 3.11Å
236	E	41.3	Very low	54	Low	142 Å²	142	101.7 Å²	101.7	66%	0.664	56%	0.564	S	S	*	*			trans	-83	48.7	172.3	-65.3	-166.8	125.9	0	0	112.1	P234 L238	P234-E236 PolarHBondContact O-N 2.93Å; E236-L238 HydrophobicContact CB-CG 4.42Å; E236-L238 PolarHBondContact O-N 3.15Å; E236-L238 VanDerWaalsContact O-N 3.12Å
237	R	44.2	Very low	51.9	Low	214 Å²	214	103 Å²	103	81%	0.808	58%	0.576	S	S	*	*			trans	-77.8	75.8	142	-81.8	-170.7	178.2	167.6	1.5	106.7	R235 I239	R235-R237 PolarHBondContact O-N 3.37Å; R235-R237 VanDerWaalsContact O-N 3.11Å; R237-I239 PolarHBondContact O-N 3.04Å
238	L	48.8	Very low	49.7	Very low	103 Å²	103	111.8 Å²	111.8	54%	0.539	61%	0.614	S	S	.	*			trans	-59.1	110.2	168.2	-65.2	176.6	0	0	0	106.9	E236 V247	E236-L238 HydrophobicContact CB-CG 4.42Å; E236-L238 PolarHBondContact O-N 3.15Å; E236-L238 VanDerWaalsContact O-N 3.12Å; L238-V247 HydrophobicContact CB-CB 4.44Å; L238-V247 VanDerWaalsContact O-CB 3.26Å; L238-V247 WeakPolarHBondContact O-CB 3.42Å; L238-V247 VanDerWaalsContact O-CG2 3.29Å; L238-V247 WeakPolarHBondContact O-CG2 3.19Å; L238-V247 PolarHBondContact O-N 3.38Å
239	I	57.3	Low	47.7	Very low	117 Å²	117	112.1 Å²	112.1	60%	0.6	61%	0.613	S	S	*	*	B	Isolated β-bridge	trans	-91.6	131.7	172.4	48.8	173.1	0	0	0	107.9	R237 A241	R237-I239 PolarHBondContact O-N 3.04Å; I239-A241 PolarHBondContact O-N 3.49Å; I239-A241 VanDerWaalsContact O-N 3.16Å
240	D	51.3	Low	46.3	Very low	63 Å²	63	116.1 Å²	116.1	34%	0.337	63%	0.629	S	S	.	*			trans	-70.8	112.5	173.1	167.8	20.9	0	0	0	108.9	K242 T243 G244 L245 V247	D240-K242 PolarHBondContact O-N 3.37Å; D240-K242 PolarHBondContact OD1-N 3.35Å; D240-T243 WeakPolarHBondContact CB-OG1 3.46Å; D240-T243 VanDerWaalsContact CG-OG1 3.29Å; D240-T243 PolarHBondContact O-N 2.89Å; D240-T243 WeakPolarHBondContact OD2-CB 3.13Å; D240-T243 VanDerWaalsContact OD2-CG2 3.24Å; D240-T243 WeakPolarHBondContact OD2-CG2 3.17Å; D240-T243 PolarHBondContact OD2-OG1 2.88Å; D240-G244 PolarHBondContact O-N 3.13Å; D240-L245 PolarHBondContact N-O 2.75Å; D240-V247 HydrophobicContact CB-CG2 4.46Å
241	A	52.7	Low	45.4	Very low	105 Å²	105	119.2 Å²	119.2	87%	0.868	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-10.4	-178.8	0	0	0	0	0	114.3	I239	I239-A241 PolarHBondContact O-N 3.49Å; I239-A241 VanDerWaalsContact O-N 3.16Å
242	K	45.5	Very low	45	Very low	195 Å²	195	119.8 Å²	119.8	85%	0.848	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-17.8	175.1	-65.2	-176.8	179	178.8	0	114.6	D240	D240-K242 PolarHBondContact O-N 3.37Å; D240-K242 PolarHBondContact OD1-N 3.35Å
243	T	57.3	Low	44.5	Very low	88 Å²	88	121.2 Å²	121.2	54%	0.54	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.4	-13.8	-176.1	59.8	0	0	0	0	114.4	D240 L245	D240-T243 WeakPolarHBondContact CB-OG1 3.46Å; D240-T243 VanDerWaalsContact CG-OG1 3.29Å; D240-T243 PolarHBondContact O-N 2.89Å; D240-T243 WeakPolarHBondContact OD2-CB 3.13Å; D240-T243 VanDerWaalsContact OD2-CG2 3.24Å; D240-T243 WeakPolarHBondContact OD2-CG2 3.17Å; D240-T243 PolarHBondContact OD2-OG1 2.88Å; T243-L245 PolarHBondContact O-N 3.2Å; T243-L245 VanDerWaalsContact O-N 3.16Å
244	G	45.1	Very low	44.4	Very low	61 Å²	61	121.1 Å²	121.1	63%	0.629	66%	0.661	S	S	*	*			trans	71.4	0.3	179	0	0	0	0	0	114.8	D240	D240-G244 PolarHBondContact O-N 3.13Å
245	L	44	Very low	44.6	Very low	117 Å²	117	121 Å²	121	61%	0.613	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-87.8	146.7	179.6	-69	171.6	0	0	0	111.3	D240 T243 V247	D240-L245 PolarHBondContact N-O 2.75Å; T243-L245 PolarHBondContact O-N 3.2Å; T243-L245 VanDerWaalsContact O-N 3.16Å; L245-V247 PolarHBondContact O-N 2.81Å
246	P	45.1	Very low	44.8	Very low	80 Å²	80	113.5 Å²	113.5	52%	0.519	64%	0.641	S	S	.	*	B	Isolated β-bridge	trans	-70.1	128	173.3	29.2	-33.3	0	0	0	110.2	K248	P246-K248 PolarHBondContact O-N 3.34Å; P246-K248 VanDerWaalsContact O-N 3.17Å
247	V	45.5	Very low	45.1	Very low	74 Å²	74	116 Å²	116	45%	0.448	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-64.6	117.5	173.8	176	0	0	0	0	108.7	L238 D240 L245 T249	L238-V247 HydrophobicContact CB-CB 4.44Å; L238-V247 VanDerWaalsContact O-CB 3.26Å; L238-V247 WeakPolarHBondContact O-CB 3.42Å; L238-V247 VanDerWaalsContact O-CG2 3.29Å; L238-V247 WeakPolarHBondContact O-CG2 3.19Å; L238-V247 PolarHBondContact O-N 3.38Å; D240-V247 HydrophobicContact CB-CG2 4.46Å; L245-V247 PolarHBondContact O-N 2.81Å; V247-T249 HydrophobicContact CG1-CG2 4.35Å; V247-T249 PolarHBondContact O-N 2.83Å; V247-T249 VanDerWaalsContact O-N 3.1Å
248	K	42.5	Very low	45.4	Very low	187 Å²	187	107.7 Å²	107.7	81%	0.813	62%	0.616	S	S	*	*			trans	-81.9	86.4	178.7	-163.8	-177.9	-174.9	-173.1	0	109.4	P246	P246-K248 PolarHBondContact O-N 3.34Å; P246-K248 VanDerWaalsContact O-N 3.17Å
249	T	40.4	Very low	45.6	Very low	78 Å²	78	106.8 Å²	106.8	48%	0.479	62%	0.617	S	S	.	*			trans	-68.6	126.8	171	43.8	0	0	0	0	109.8	V247 I251	V247-T249 HydrophobicContact CG1-CG2 4.35Å; V247-T249 PolarHBondContact O-N 2.83Å; V247-T249 VanDerWaalsContact O-N 3.1Å; T249-I251 PolarHBondContact O-N 3.37Å
250	D	36.2	Very low	45.6	Very low	158 Å²	158	106.2 Å²	106.2	85%	0.845	62%	0.624	S	S	*	*			trans	-76.3	46.9	173.5	-74.6	-41.2	0	0	0	111.8
251	I	37.3	Very low	46.2	Very low	134 Å²	134	105.5 Å²	105.5	69%	0.687	63%	0.631	S	S	*	*			trans	-103.3	93.6	171.2	-58.1	175.7	0	0	0	106.3	T249	T249-I251 PolarHBondContact O-N 3.37Å
252	T	38.2	Very low	47.3	Very low	122 Å²	122	100.8 Å²	100.8	75%	0.748	59%	0.592	S	S	*	*			trans	-50.3	128.4	168.7	-53.1	0	0	0	0	108.7	G254	T252-G254 PolarHBondContact O-N 2.77Å
253	P	38	Very low	49.1	Very low	121 Å²	121	95.3 Å²	95.3	79%	0.786	57%	0.566	S	S	*	*			trans	-62.1	107	176.9	25.2	-33.2	0	0	0	108.7
254	G	40.1	Very low	50.6	Low	55 Å²	55	92.1 Å²	92.1	57%	0.567	54%	0.544	S	S	*	.			trans	-61.5	159.9	173.8	0	0	0	0	0	110.8	T252 S256	T252-G254 PolarHBondContact O-N 2.77Å; G254-S256 PolarHBondContact O-N 2.71Å
255	P	42.9	Very low	52.8	Low	110 Å²	110	90.6 Å²	90.6	71%	0.714	52%	0.524	S	S	*	.	S	Bend	trans	-51.6	133.2	174.9	23.5	-33.8	0	0	0	109.5	R257	P255-R257 PolarHBondContact O-N 3.44Å
256	S	46.8	Very low	55.1	Low	59 Å²	59	86.1 Å²	86.1	41%	0.413	50%	0.5	S	S	.	.			trans	-58.3	98.4	-168.9	58.3	0	0	0	0	111.1	G254 L258	G254-S256 PolarHBondContact O-N 2.71Å; S256-L258 PolarHBondContact O-N 3.32Å
257	R	48.4	Very low	57.3	Low	196 Å²	196	83.6 Å²	83.6	74%	0.74	48%	0.481	S	S	*	.			trans	-57.3	139.7	177.6	-63.1	-171.2	-161.3	-92.9	1.6	108.9	P255 C259	P255-R257 PolarHBondContact O-N 3.44Å; R257-C259 PolarHBondContact O-N 2.74Å
258	L	50.9	Low	59.6	Low	38 Å²	38	80.2 Å²	80.2	20%	0.199	46%	0.46	C	S	.	.			trans	-75.5	72.5	175.1	-60.8	176.1	0	0	0	110	S256 Y306 S617 L618 A621	S256-L258 PolarHBondContact O-N 3.32Å; L258-Y306 HydrophobicContact CB-CD1 4.06Å; L258-Y306 HydrophobicContact CB-CE1 4.26Å; L258-Y306 HydrophobicContact CD1-CD1 4.5Å; L258-Y306 HydrophobicContact CD2-CD1 4.31Å; L258-Y306 HydrophobicContact CD2-CG 4.33Å; L258-S617 WeakPolarHBondContact CD1-O 3.31Å; L258-L618 HydrophobicContact CD1-CD2 3.56Å; L258-L618 HydrophobicContact CD2-CD2 4.12Å; L258-A621 HydrophobicContact CB-CB 3.95Å; L258-A621 HydrophobicContact CD1-CB 4.01Å
259	C	53	Low	62	Low	84 Å²	84	72.3 Å²	72.3	57%	0.568	43%	0.426	S	S	*	.			trans	-55.6	142.3	172.7	-63.8	0	0	0	0	109.7	R257 G261 A262	R257-C259 PolarHBondContact O-N 2.74Å; C259-G261 PolarHBondContact O-N 2.72Å; C259-A262 WeakPolarHBondContact O-CB 3.34Å; C259-A262 PolarHBondContact O-N 2.84Å
260	S	55.5	Low	64.5	Low	105 Å²	105	69 Å²	69	73%	0.734	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-52.5	-35.6	-177.3	-175.2	0	0	0	0	113.2	A262 R263	S260-A262 PolarHBondContact O-N 3.03Å; S260-R263 VanDerWaalsContact O-CB 3.24Å; S260-R263 WeakPolarHBondContact O-CB 3.47Å; S260-R263 PolarHBondContact O-N 3.01Å; S260-R263 VanDerWaalsContact O-N 3.08Å
261	G	64.3	Low	67.2	Low	48 Å²	48	64.1 Å²	64.1	50%	0.495	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-65.5	-13.1	174.8	0	0	0	0	0	116.3	S230 C259 R264	S230-G261 PolarHBondContact OG-O 2.87Å; C259-G261 PolarHBondContact O-N 2.72Å; G261-R264 PolarHBondContact O-NH1 3.42Å
262	A	76	Confident	69.6	Low	7 Å²	7	58.7 Å²	58.7	6%	0.058	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-86.6	-15.2	172.6	0	0	0	0	0	113	C259 S260 Y306 L307	C259-A262 WeakPolarHBondContact O-CB 3.34Å; C259-A262 PolarHBondContact O-N 2.84Å; S260-A262 PolarHBondContact O-N 3.03Å; A262-Y306 CarbonylContact O-C 3.44Å; A262-Y306 WeakPolarHBondContact O-CA 3.41Å; A262-L307 PolarHBondContact O-N 3.1Å
263	R	84.4	Confident	71.8	Confident	79 Å²	79	56 Å²	56	30%	0.298	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	146.9	176.9	-161.3	174	-172.5	-79.3	6.8	110.4	S260 G305 Y306 D622	S260-R263 VanDerWaalsContact O-CB 3.24Å; S260-R263 WeakPolarHBondContact O-CB 3.47Å; S260-R263 PolarHBondContact O-N 3.01Å; S260-R263 VanDerWaalsContact O-N 3.08Å; R263-G305 CarbonylContact C-O 3.54Å; R263-G305 WeakPolarHBondContact CA-O 3.31Å; R263-Y306 HydrophobicContact CB-CD1 3.82Å; R263-Y306 HydrophobicContact CB-CE1 3.64Å; R263-Y306 HydrophobicContact CG-CD1 4.09Å; R263-Y306 HydrophobicContact CG-CE1 3.63Å; R263-Y306 HydrophobicContact CG-CE2 4.19Å; R263-Y306 PolarHBondContact NE-OH 3.4Å; R263-D622 IonicContact CZ-OD1 3.51Å; R263-D622 VanDerWaalsContact CZ-OD1 3.24Å; R263-D622 IonicContact CZ-OD2 2.72Å; R263-D622 IonicContact NE-OD1 2.69Å; R263-D622 PolarHBondContact NE-OD1 3.05Å; R263-D622 IonicContact NE-OD2 3.69Å; R263-D622 VanDerWaalsContact NH2-CG 3.26Å; R263-D622 IonicContact NH2-OD1 2.79Å; R263-D622 PolarHBondContact NH2-OD1 2.7Å; R263-D622 IonicContact NH2-OD2 2.67Å; R263-D622 PolarHBondContact NH2-OD2 3.45Å
264	R	88.8	Confident	73.1	Confident	21 Å²	21	59.4 Å²	59.4	8%	0.079	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	133.8	177.8	-63.8	-63.4	-178.1	-102	12.5	109.3	Q226 S228 S230 G261 F266 T304 G305 L307 L333	Q226-R264 VanDerWaalsContact O-CD 3.31Å; Q226-R264 WeakPolarHBondContact O-CD 3.37Å; Q226-R264 PolarHBondContact O-NE 2.99Å; S228-R264 PolarHBondContact O-NH2 3.01Å; S228-R264 VanDerWaalsContact O-NH2 3.15Å; S230-R264 PolarHBondContact OG-NH2 2.92Å; G261-R264 PolarHBondContact O-NH1 3.42Å; R264-F266 HydrophobicContact CB-CE1 4.49Å; R264-T304 WeakPolarHBondContact O-CA 3.35Å; R264-G305 PolarHBondContact N-O 3.4Å; R264-G305 PolarHBondContact O-N 2.89Å; R264-L307 HydrophobicContact CG-CD2 4.36Å; R264-L307 HydrophobicContact CG-CG 4.25Å; R264-L333 HydrophobicContact CB-CD1 4Å; R264-L333 HydrophobicContact CG-CD1 4.07Å
265	S	90.6	Very high	73.6	Confident	30 Å²	30	60.8 Å²	60.8	21%	0.21	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	114.3	176.9	175.5	0	0	0	0	108.2	H302 S303 Q374	S265-H302 PolarHBondContact OG-NE2 3.03Å; S265-S303 WeakPolarHBondContact CA-O 3.47Å; S265-Q374 PolarHBondContact OG-OE1 2.79Å
266	F	91.9	Very high	73.5	Confident	22 Å²	22	61 Å²	61	10%	0.096	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154	-178.5	59.8	-91.9	0	0	0	112.4	V223 Q226 R264 C268 H302 S303 L333	V223-F266 HydrophobicContact CG1-CE2 4.26Å; V223-F266 HydrophobicContact CG1-CZ 4.26Å; V223-F266 HydrophobicContact CG2-CD2 4.19Å; V223-F266 HydrophobicContact CG2-CE2 3.82Å; Q226-F266 HydrophobicContact CB-CD1 3.77Å; Q226-F266 HydrophobicContact CB-CE1 3.85Å; Q226-F266 HydrophobicContact CB-CG 4.47Å; Q226-F266 HydrophobicContact CG-CB 4.04Å; Q226-F266 HydrophobicContact CG-CD1 3.56Å; Q226-F266 HydrophobicContact CG-CE1 4.16Å; Q226-F266 HydrophobicContact CG-CG 3.89Å; R264-F266 HydrophobicContact CB-CE1 4.49Å; F266-C268 HydrophobicContact CD2-CB 4.18Å; F266-C268 HydrophobicContact CE2-CB 4.25Å; F266-H302 PolarHBondContact O-CD2 3.3Å; F266-S303 PolarHBondContact N-O 2.99Å; F266-S303 PolarHBondContact O-N 3.1Å; F266-L333 HydrophobicContact CE1-CD2 3.91Å; F266-L333 HydrophobicContact CZ-CD2 4.09Å
267	F	92.3	Very high	73	Confident	27 Å²	27	63.4 Å²	63.4	12%	0.118	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.8	168.3	-76.2	-87.4	0	0	0	109.9	T300 I301 H302 H340 Q374 T377 L383	F267-T300 HydrophobicContact CD1-CG2 3.82Å; F267-I301 WeakPolarHBondContact CA-O 3.02Å; F267-H302 HydrophobicContact CD1-CB 3.97Å; F267-H302 HydrophobicContact CE1-CB 3.61Å; F267-H302 AromaticContact CE2-CD2 3.93Å; F267-H302 HydrophobicContact CZ-CB 4.03Å; F267-H302 AromaticContact CZ-CG 3.97Å; F267-H340 HydrophobicContact CE1-CB 4.04Å; F267-Q374 HydrophobicContact CD2-CB 4.33Å; F267-Q374 HydrophobicContact CE2-CB 4.1Å; F267-Q374 VanDerWaalsContact CE2-O 3.26Å; F267-Q374 WeakPolarHBondContact CE2-O 3.32Å; F267-T377 HydrophobicContact CB-CG2 3.91Å; F267-T377 HydrophobicContact CD1-CG2 3.7Å; F267-T377 HydrophobicContact CD2-CG2 4.02Å; F267-T377 HydrophobicContact CE1-CG2 4.15Å; F267-T377 HydrophobicContact CE2-CG2 4.46Å; F267-T377 HydrophobicContact CG-CG2 3.61Å; F267-L383 HydrophobicContact CB-CG 4.49Å
268	C	93.3	Very high	72.5	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.02	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.4	172.7	68.1	0	0	0	0	110.8	L215 V223 F266 I301	L215-C268 HydrophobicContact CD2-CB 3.77Å; V223-C268 HydrophobicContact CG2-CB 3.91Å; F266-C268 HydrophobicContact CD2-CB 4.18Å; F266-C268 HydrophobicContact CE2-CB 4.25Å; C268-I301 PolarHBondContact N-O 3.3Å; C268-I301 PolarHBondContact O-N 3.49Å
269	R	92.8	Very high	71.8	Confident	22 Å²	22	66.8 Å²	66.8	8%	0.083	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.6	171.1	-74.9	168.2	-74.9	-149.9	-14.9	110.3	H216 D219 F298 C299 L383 E386	H216-R269 HydrophobicContact CB-CB 3.61Å; H216-R269 PolarHBondContact N-O 3.46Å; D219-R269 IonicContact OD1-CZ 3.54Å; D219-R269 IonicContact OD1-NE 2.8Å; D219-R269 IonicContact OD1-NH2 3.46Å; D219-R269 PolarHBondContact OD1-NH2 3.1Å; D219-R269 WeakPolarHBondContact OD2-CB 3.5Å; D219-R269 IonicContact OD2-CZ 3.38Å; D219-R269 PolarHBondContact OD2-N 3.15Å; D219-R269 IonicContact OD2-NE 3.95Å; D219-R269 PolarHBondContact OD2-NE 3.26Å; D219-R269 IonicContact OD2-NH2 3.3Å; D219-R269 PolarHBondContact OD2-NH2 2.79Å; R269-F298 HydrophobicContact CB-CB 4.19Å; R269-F298 HydrophobicContact CB-CD1 4.19Å; R269-F298 HydrophobicContact CB-CG 4.5Å; R269-C299 WeakPolarHBondContact CA-O 3.47Å; R269-L383 HydrophobicContact CG-CD1 4.33Å; R269-E386 IonicContact CZ-OE1 3.85Å; R269-E386 IonicContact NH1-OE1 2.73Å; R269-E386 PolarHBondContact NH1-OE1 2.89Å; R269-E386 IonicContact NH1-OE2 2.66Å; R269-E386 IonicContact NH2-OE1 3.56Å; R269-E386 PolarHBondContact NH2-OE1 3.27Å
270	M	92.9	Very high	71.3	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.039	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	143.8	172.2	-60.7	-170.7	73.6	0	0	109.9	F177 L199 L211 Y214 L215 C272 F298 C299 I301	F177-M270 HydrophobicContact CZ-CE 4.24Å; F177-M270 HydrophobicContact CZ-SD 3.8Å; L199-M270 HydrophobicContact CD1-CB 4.29Å; L199-M270 HydrophobicContact CD1-CE 3.84Å; L199-M270 HydrophobicContact CD1-SD 4.18Å; L199-M270 HydrophobicContact CD2-CB 4.06Å; L211-M270 HydrophobicContact CD1-CE 3.81Å; Y214-M270 CarbonylContact O-C 3.56Å; Y214-M270 WeakPolarHBondContact O-CA 3.33Å; L215-M270 HydrophobicContact CD2-CG 4.01Å; M270-C272 PolarHBondContact O-N 2.94Å; M270-F298 CarbonylContact O-C 3.38Å; M270-F298 VanDerWaalsContact O-CA 3.31Å; M270-F298 WeakPolarHBondContact O-CA 3.32Å; M270-C299 PolarHBondContact N-O 2.94Å; M270-C299 PolarHBondContact O-N 2.69Å; M270-C299 PolarHBondContact O-SG 2.9Å; M270-I301 HydrophobicContact CB-CG1 3.95Å; M270-I301 HydrophobicContact CG-CB 4.26Å; M270-I301 HydrophobicContact CG-CG1 3.86Å; M270-I301 HydrophobicContact SD-CB 4.19Å; M270-I301 HydrophobicContact SD-CG1 3.91Å; M270-I301 HydrophobicContact SD-CG2 4.26Å
271	K	92.1	Very high	70.3	Confident	55 Å²	55	73.9 Å²	73.9	24%	0.239	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	120.2	172.1	178.3	-171.6	172.6	-135.8	0	107.6	Y201 Y214 K296 S297 F298	Y201-K271 VanDerWaalsContact CE2-O 3.31Å; Y201-K271 WeakPolarHBondContact CE2-O 3.34Å; Y201-K271 VanDerWaalsContact OH-CD 3.25Å; Y201-K271 WeakPolarHBondContact OH-CD 3.36Å; Y201-K271 WeakPolarHBondContact OH-CE 3.38Å; Y201-K271 WeakPolarHBondContact OH-CG 3.35Å; Y201-K271 PolarHBondContact OH-NZ 2.93Å; Y214-K271 HydrophobicContact CD1-CD 4.48Å; Y214-K271 WeakPolarHBondContact O-CB 3.37Å; Y214-K271 PolarHBondContact O-N 3.27Å; K271-K296 HydrophobicContact CG-CB 4.42Å; K271-S297 CarbonylContact C-O 3.55Å; K271-S297 WeakPolarHBondContact CA-O 3.23Å; K271-F298 HydrophobicContact CB-CD1 4.35Å; K271-F298 HydrophobicContact CB-CE1 4.02Å
272	C	88.6	Confident	69.1	Low	20 Å²	20	80 Å²	80	14%	0.135	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.2	166.4	-1.2	0	0	0	0	108.2	L199 M270 S297 C299	L199-C272 CarbonylContact O-C 3.59Å; L199-C272 WeakPolarHBondContact O-CA 3.37Å; M270-C272 PolarHBondContact O-N 2.94Å; C272-S297 PolarHBondContact N-O 3.19Å; C272-S297 PolarHBondContact O-OG 2.81Å; C272-S297 PolarHBondContact SG-O 3.33Å; C272-C299 WeakPolarHBondContact CB-SG 3.36Å; C272-C299 WeakPolarHBondContact SG-CB 3.21Å; C272-C299 PolarHBondContact SG-N 2.93Å; C272-C299 CovalentContact SG-SG 2.04Å; C272-C299 PolarHBondContact SG-SG 2.86Å
273	N	83.4	Confident	67.2	Low	66 Å²	66	86 Å²	86	35%	0.353	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-68	159	168.4	-167.4	18.2	0	0	0	110	L199 N200 Y201	L199-N273 PolarHBondContact O-N 3.36Å; N200-N273 HydrophobicContact CB-CB 3.83Å; N200-N273 WeakPolarHBondContact CB-O 3.38Å; N200-N273 PolarHBondContact ND2-O 3.14Å; N200-N273 VanDerWaalsContact O-CB 3.26Å; N200-N273 WeakPolarHBondContact O-CB 3.44Å; N200-N273 PolarHBondContact O-ND2 3.32Å; Y201-N273 HydrophobicContact CD1-CB 4.38Å; Y201-N273 HydrophobicContact CD2-CB 4.11Å; Y201-N273 HydrophobicContact CE1-CB 4.02Å; Y201-N273 HydrophobicContact CE2-CB 3.71Å; Y201-N273 HydrophobicContact CG-CB 4.42Å
274	R	66.8	Low	64.7	Low	192 Å²	192	91.8 Å²	91.8	73%	0.725	46%	0.46	S	S	*	.			trans	-130.4	122	169.4	-81.2	-173.4	172.3	-152	-5.8	108.6	S276	R274-S276 PolarHBondContact O-N 2.81Å
275	P	49.7	Very low	62.1	Low	84 Å²	84	96.9 Å²	96.9	55%	0.545	50%	0.496	S	S	.	.			trans	-61	127.2	167.8	27.1	-32.9	0	0	0	108.4	V277	P275-V277 HydrophobicContact CB-CG2 4Å; P275-V277 HydrophobicContact CG-CG2 4.15Å; P275-V277 PolarHBondContact O-N 3.32Å
276	S	40.6	Very low	59.5	Low	114 Å²	114	100.6 Å²	100.6	80%	0.797	52%	0.522	S	S	*	.			trans	-79.1	64.9	175.9	45.1	0	0	0	0	110.1	R274 K278	R274-S276 PolarHBondContact O-N 2.81Å; S276-K278 PolarHBondContact O-N 3.35Å
277	V	37.3	Very low	56.8	Low	111 Å²	111	106.8 Å²	106.8	67%	0.673	56%	0.562	S	S	*	*			trans	-64.7	96.2	178.1	-168.8	0	0	0	0	108.9	P275 V279	P275-V277 HydrophobicContact CB-CG2 4Å; P275-V277 HydrophobicContact CG-CG2 4.15Å; P275-V277 PolarHBondContact O-N 3.32Å; V277-V279 VanDerWaalsContact C-N 3.26Å; V277-V279 HydrophobicContact CG1-CG2 3.81Å; V277-V279 PolarHBondContact O-N 2.8Å
278	K	36.9	Very low	53.8	Low	196 Å²	196	110.8 Å²	110.8	85%	0.852	59%	0.592	S	S	*	*			trans	-73	84.6	164.7	-69.8	-177.3	178	-178.1	0	108.1	S276 E280	S276-K278 PolarHBondContact O-N 3.35Å; K278-E280 PolarHBondContact O-N 2.86Å
279	V	37.7	Very low	50.9	Low	108 Å²	108	115.7 Å²	115.7	66%	0.655	63%	0.626	S	S	*	*			trans	-75	109.7	154.3	-170.8	0	0	0	0	105.8	V277 D281	V277-V279 VanDerWaalsContact C-N 3.26Å; V277-V279 HydrophobicContact CG1-CG2 3.81Å; V277-V279 PolarHBondContact O-N 2.8Å; V279-D281 VanDerWaalsContact C-N 3.35Å; V279-D281 HydrophobicContact CG1-CB 4.18Å; V279-D281 PolarHBondContact O-N 3.28Å
280	E	41.2	Very low	48.2	Very low	190 Å²	190	124.7 Å²	124.7	89%	0.888	67%	0.666	S	S	*	*			trans	-76	95.3	160.9	-71.6	-165.5	139.9	0	0	107.3	K278	K278-E280 PolarHBondContact O-N 2.86Å
281	D	34.7	Very low	45.5	Very low	148 Å²	148	133.3 Å²	133.3	79%	0.791	70%	0.703	S	S	*	*			trans	-121.1	145.3	162.6	-136.2	-29.3	0	0	0	109.6	V279	V279-D281 VanDerWaalsContact C-N 3.35Å; V279-D281 HydrophobicContact CG1-CB 4.18Å; V279-D281 PolarHBondContact O-N 3.28Å
282	K	39.7	Very low	42.8	Very low	176 Å²	176	139.2 Å²	139.2	77%	0.765	73%	0.729	S	S	*	*			trans	-96.7	160.9	-166	-82.1	-173.9	176.5	177.1	0	113.2
283	D	35.3	Very low	40.2	Very low	134 Å²	134	143.8 Å²	143.8	72%	0.717	77%	0.768	S	S	*	*			trans	58.8	80	154.5	-55.5	-33.2	0	0	0	118.4
284	F	32	Very low	38	Very low	201 Å²	201	147 Å²	147	88%	0.882	79%	0.785	S	S	*	*			trans	-156.8	120.2	134.9	-92.5	-62.5	0	0	0	111.9	S286	F284-S286 PolarHBondContact O-N 2.84Å; F284-S286 VanDerWaalsContact O-N 3.1Å
285	P	35.4	Very low	37.2	Very low	127 Å²	127	147.7 Å²	147.7	83%	0.825	79%	0.788	S	S	*	*			trans	-86.2	76.7	-176.2	34.3	-35.4	0	0	0	112.9	T287	P285-T287 PolarHBondContact O-N 3.34Å
286	S	34.1	Very low	37.4	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	79%	0.788	S	S	*	*			trans	-79.5	118.4	174.7	58	0	0	0	0	112.6	F284 C288	F284-S286 PolarHBondContact O-N 2.84Å; F284-S286 VanDerWaalsContact O-N 3.1Å; S286-C288 PolarHBondContact O-N 2.88Å
287	T	35.6	Very low	39.3	Very low	152 Å²	152	145.7 Å²	145.7	93%	0.933	76%	0.759	S	S	*	*			trans	-82.5	79.5	-178.6	51.9	0	0	0	0	112.3	P285	P285-T287 PolarHBondContact O-N 3.34Å
288	C	29.6	Very low	41.7	Very low	110 Å²	110	144.2 Å²	144.2	74%	0.743	74%	0.744	S	S	*	*			trans	-124.5	149.7	165	-162.8	0	0	0	0	111.7	S286 K290	S286-C288 PolarHBondContact O-N 2.88Å; C288-K290 PolarHBondContact O-N 3.47Å
289	S	33.4	Very low	44.2	Very low	107 Å²	107	135.7 Å²	135.7	75%	0.748	71%	0.709	S	S	*	*			trans	-69.8	108.6	-157.9	45.9	0	0	0	0	114.9	K291	S289-K291 VanDerWaalsContact C-N 3.26Å; S289-K291 PolarHBondContact O-N 3.15Å
290	K	36.2	Very low	46.7	Very low	210 Å²	210	131.7 Å²	131.7	91%	0.913	69%	0.685	S	S	*	*			trans	-66.5	68.6	171.7	-66.6	-178.1	177.5	178.4	0	113.1	C288	C288-K290 PolarHBondContact O-N 3.47Å
291	K	36.4	Very low	49.1	Very low	190 Å²	190	122.7 Å²	122.7	83%	0.826	64%	0.643	S	S	*	*			trans	-143.7	74.4	174.6	-75	-164.9	177.4	-179.2	0	114.8	S289	S289-K291 VanDerWaalsContact C-N 3.26Å; S289-K291 PolarHBondContact O-N 3.15Å
292	K	34.8	Very low	51.8	Low	179 Å²	179	117.1 Å²	117.1	78%	0.778	61%	0.612	S	S	*	*			trans	166.5	80.8	137.3	-93.5	169	-179	176.9	0	111.6	D294	K292-D294 PolarHBondContact O-N 2.97Å
293	A	33.4	Very low	54.3	Low	116 Å²	116	108.8 Å²	108.8	96%	0.959	58%	0.576	S	S	*	*			trans	-84.8	21.3	174.9	0	0	0	0	0	114
294	D	38.1	Very low	56.9	Low	132 Å²	132	104.3 Å²	104.3	71%	0.706	55%	0.553	S	S	*	*			trans	-138	56.8	175.9	-173.6	27.7	0	0	0	111.1	K292	K292-D294 PolarHBondContact O-N 2.97Å
295	R	48.6	Very low	59.7	Low	208 Å²	208	94.8 Å²	94.8	79%	0.785	51%	0.512	S	S	*	.			trans	-107.7	96	153.3	-86.6	-174.7	166.2	178.2	-4.4	107	S297	R295-S297 PolarHBondContact O-N 2.89Å
296	K	55	Low	62.1	Low	129 Å²	129	89.3 Å²	89.3	56%	0.561	48%	0.475	S	S	*	.			trans	-41.7	113.5	157.9	-67.3	172.4	-179	175.3	0	107.1	K271 F298	K271-K296 HydrophobicContact CG-CB 4.42Å; K296-F298 HydrophobicContact CB-CE2 4.3Å; K296-F298 WeakPolarHBondContact O-CD2 3.22Å; K296-F298 WeakPolarHBondContact O-CE2 3.24Å; K296-F298 PolarHBondContact O-N 3.39Å
297	S	79.4	Confident	64.6	Low	26 Å²	26	84.8 Å²	84.8	18%	0.182	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	131.6	-174.9	25.7	0	0	0	0	109.5	K271 C272 R295	K271-S297 CarbonylContact C-O 3.55Å; K271-S297 WeakPolarHBondContact CA-O 3.23Å; C272-S297 PolarHBondContact N-O 3.19Å; C272-S297 PolarHBondContact O-OG 2.81Å; C272-S297 PolarHBondContact SG-O 3.33Å; R295-S297 PolarHBondContact O-N 2.89Å
298	F	88.6	Confident	66.7	Low	81 Å²	81	79.5 Å²	79.5	36%	0.355	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.6	176.4	-75	-78.8	0	0	0	109.5	H216 R269 M270 K271 K296	H216-F298 HydrophobicContact CB-CD1 3.86Å; H216-F298 HydrophobicContact CB-CE1 3.74Å; H216-F298 HydrophobicContact CB-CG 4.47Å; H216-F298 HydrophobicContact CB-CZ 4.24Å; H216-F298 AromaticContact CD2-CE2 3.88Å; H216-F298 AromaticContact CD2-CZ 3.98Å; R269-F298 HydrophobicContact CB-CB 4.19Å; R269-F298 HydrophobicContact CB-CD1 4.19Å; R269-F298 HydrophobicContact CB-CG 4.5Å; M270-F298 CarbonylContact O-C 3.38Å; M270-F298 VanDerWaalsContact O-CA 3.31Å; M270-F298 WeakPolarHBondContact O-CA 3.32Å; K271-F298 HydrophobicContact CB-CD1 4.35Å; K271-F298 HydrophobicContact CB-CE1 4.02Å; K296-F298 HydrophobicContact CB-CE2 4.3Å; K296-F298 WeakPolarHBondContact O-CD2 3.22Å; K296-F298 WeakPolarHBondContact O-CE2 3.24Å; K296-F298 PolarHBondContact O-N 3.39Å
299	C	88.6	Confident	68.8	Low	17 Å²	17	77.1 Å²	77.1	12%	0.115	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.4	178.8	19.2	0	0	0	0	108.4	L199 R269 M270 C272 I301 L339	L199-C299 WeakPolarHBondContact CD2-SG 3.4Å; R269-C299 WeakPolarHBondContact CA-O 3.47Å; M270-C299 PolarHBondContact N-O 2.94Å; M270-C299 PolarHBondContact O-N 2.69Å; M270-C299 PolarHBondContact O-SG 2.9Å; C272-C299 WeakPolarHBondContact CB-SG 3.36Å; C272-C299 WeakPolarHBondContact SG-CB 3.21Å; C272-C299 PolarHBondContact SG-N 2.93Å; C272-C299 CovalentContact SG-SG 2.04Å; C272-C299 PolarHBondContact SG-SG 2.86Å; C299-I301 HydrophobicContact CB-CD1 4.45Å; C299-I301 PolarHBondContact O-N 2.92Å; C299-L339 HydrophobicContact CB-CD1 3.93Å
300	T	90.6	Very high	70.1	Confident	24 Å²	24	76.4 Å²	76.4	15%	0.147	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	111.3	178.4	-59.7	0	0	0	0	109	F267 H340 T377	F267-T300 HydrophobicContact CD1-CG2 3.82Å; T300-H340 PolarHBondContact O-N 2.84Å; T300-T377 HydrophobicContact CG2-CG2 4.26Å
301	I	91.7	Very high	70.7	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.4	179.1	-56.4	-55	0	0	0	108.8	F177 I198 L199 F267 C268 M270 C299 R338 L339	F177-I301 HydrophobicContact CE1-CG2 4.36Å; F177-I301 HydrophobicContact CZ-CG2 4.5Å; I198-I301 HydrophobicContact CG2-CD1 3.96Å; L199-I301 HydrophobicContact CD2-CD1 4.17Å; L199-I301 HydrophobicContact CD2-CG1 4.37Å; F267-I301 WeakPolarHBondContact CA-O 3.02Å; C268-I301 PolarHBondContact N-O 3.3Å; C268-I301 PolarHBondContact O-N 3.49Å; M270-I301 HydrophobicContact CB-CG1 3.95Å; M270-I301 HydrophobicContact CG-CB 4.26Å; M270-I301 HydrophobicContact CG-CG1 3.86Å; M270-I301 HydrophobicContact SD-CB 4.19Å; M270-I301 HydrophobicContact SD-CG1 3.91Å; M270-I301 HydrophobicContact SD-CG2 4.26Å; C299-I301 HydrophobicContact CB-CD1 4.45Å; C299-I301 PolarHBondContact O-N 2.92Å; I301-R338 WeakPolarHBondContact CA-O 3.38Å; I301-L339 HydrophobicContact CD1-CB 4.34Å; I301-L339 HydrophobicContact CD1-CD1 3.92Å
302	H	91.9	Very high	71.1	Confident	31 Å²	31	64.7 Å²	64.7	14%	0.144	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	114.6	165.2	-178.3	-138.7	0	0	0	108.3	S265 F266 F267 T304 G337 R338	S265-H302 PolarHBondContact OG-NE2 3.03Å; F266-H302 PolarHBondContact O-CD2 3.3Å; F267-H302 HydrophobicContact CD1-CB 3.97Å; F267-H302 HydrophobicContact CE1-CB 3.61Å; F267-H302 AromaticContact CE2-CD2 3.93Å; F267-H302 HydrophobicContact CZ-CB 4.03Å; F267-H302 AromaticContact CZ-CG 3.97Å; H302-T304 PolarHBondContact CE1-OG1 3.02Å; H302-T304 PolarHBondContact NE2-OG1 2.93Å; H302-G337 WeakPolarHBondContact O-CA 3.36Å; H302-R338 PolarHBondContact N-O 2.79Å; H302-R338 PolarHBondContact O-N 3.44Å
303	S	92.3	Very high	71.4	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.007	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.2	177.7	-59.6	0	0	0	0	109.3	S265 F266 I336	S265-S303 WeakPolarHBondContact CA-O 3.47Å; F266-S303 PolarHBondContact N-O 2.99Å; F266-S303 PolarHBondContact O-N 3.1Å; S303-I336 WeakPolarHBondContact CA-O 3.27Å
304	T	90.3	Very high	71.6	Confident	40 Å²	40	66.1 Å²	66.1	25%	0.245	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131	172.1	-58	0	0	0	0	109.6	R264 H302 A335 I336	R264-T304 WeakPolarHBondContact O-CA 3.35Å; H302-T304 PolarHBondContact CE1-OG1 3.02Å; H302-T304 PolarHBondContact NE2-OG1 2.93Å; T304-A335 CarbonylContact O-C 3.56Å; T304-A335 WeakPolarHBondContact O-CA 3.13Å; T304-I336 PolarHBondContact N-O 3.27Å; T304-I336 PolarHBondContact O-N 2.9Å
305	G	88.9	Confident	71.5	Confident	2 Å²	2	67.6 Å²	67.6	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-168.6	-174.2	0	0	0	0	0	113.6	R263 R264 V334	R263-G305 CarbonylContact C-O 3.54Å; R263-G305 WeakPolarHBondContact CA-O 3.31Å; R264-G305 PolarHBondContact N-O 3.4Å; R264-G305 PolarHBondContact O-N 2.89Å; G305-V334 CarbonylContact C-O 3.59Å; G305-V334 WeakPolarHBondContact CA-O 3.42Å
306	Y	86.1	Confident	71	Confident	12 Å²	12	61.3 Å²	61.3	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.9	-179.1	-62.5	-108.5	0	0	0	110.9	L258 A262 R263 V334 L618 A621 D622	L258-Y306 HydrophobicContact CB-CD1 4.06Å; L258-Y306 HydrophobicContact CB-CE1 4.26Å; L258-Y306 HydrophobicContact CD1-CD1 4.5Å; L258-Y306 HydrophobicContact CD2-CD1 4.31Å; L258-Y306 HydrophobicContact CD2-CG 4.33Å; A262-Y306 CarbonylContact O-C 3.44Å; A262-Y306 WeakPolarHBondContact O-CA 3.41Å; R263-Y306 HydrophobicContact CB-CD1 3.82Å; R263-Y306 HydrophobicContact CB-CE1 3.64Å; R263-Y306 HydrophobicContact CG-CD1 4.09Å; R263-Y306 HydrophobicContact CG-CE1 3.63Å; R263-Y306 HydrophobicContact CG-CE2 4.19Å; R263-Y306 PolarHBondContact NE-OH 3.4Å; Y306-V334 PolarHBondContact N-O 3.41Å; Y306-V334 PolarHBondContact O-N 3.31Å; Y306-L618 HydrophobicContact CD2-CB 4.2Å; Y306-L618 HydrophobicContact CD2-CD1 4.04Å; Y306-L618 HydrophobicContact CD2-CD2 3.66Å; Y306-L618 HydrophobicContact CD2-CG 4.14Å; Y306-L618 HydrophobicContact CE2-CB 4.24Å; Y306-L618 HydrophobicContact CE2-CD2 4.45Å; Y306-L618 HydrophobicContact CG-CD2 3.99Å; Y306-A621 HydrophobicContact CE1-CB 4.31Å; Y306-D622 PolarHBondContact OH-OD1 2.94Å; Y306-D622 VanDerWaalsContact OH-OD1 3.1Å
307	L	86.6	Confident	70.5	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.073	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.5	168.6	-59.8	-174.5	0	0	0	110.2	A262 R264 C332 L333	A262-L307 PolarHBondContact O-N 3.1Å; R264-L307 HydrophobicContact CG-CD2 4.36Å; R264-L307 HydrophobicContact CG-CG 4.25Å; L307-C332 CarbonylContact C-O 3.59Å; L307-C332 WeakPolarHBondContact CA-O 3.34Å; L307-L333 HydrophobicContact CD2-CB 3.88Å; L307-L333 HydrophobicContact CD2-CD1 4.1Å
308	K	79.5	Confident	68.3	Low	41 Å²	41	68.5 Å²	68.5	18%	0.178	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.4	175.4	-172.6	174.7	-176.7	179.1	0	110	W310 C332 V614	K308-W310 HydrophobicContact CD-CZ2 4.12Å; K308-C332 PolarHBondContact N-O 3.26Å; K308-C332 PolarHBondContact O-N 2.65Å; K308-C332 PolarHBondContact O-SG 2.85Å; K308-V614 HydrophobicContact CD-CG1 3.98Å; K308-V614 HydrophobicContact CD-CG2 4Å
309	S	74.7	Confident	66.1	Low	60 Å²	60	74.3 Å²	74.3	42%	0.42	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.4	171.4	54.1	0	0	0	0	110.5
310	W	60.2	Low	63.8	Low	91 Å²	91	80.4 Å²	80.4	35%	0.345	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140.6	167.5	-63	90.3	0	0	0	110.5	K308 N329 L330 C332 V614	K308-W310 HydrophobicContact CD-CZ2 4.12Å; W310-N329 CarbonylContact O-C 3.51Å; W310-N329 WeakPolarHBondContact O-CA 3.31Å; W310-L330 HydrophobicContact CB-CB 4.46Å; W310-L330 PolarHBondContact N-O 3.48Å; W310-L330 PolarHBondContact O-N 3.06Å; W310-C332 VanDerWaalsContact CD1-SG 3.53Å; W310-C332 PolarHBondContact NE1-SG 2.89Å; W310-V614 HydrophobicContact CH2-CG2 4.13Å; W310-V614 HydrophobicContact CZ2-CG2 3.6Å
311	P	48.6	Very low	61.2	Low	89 Å²	89	85.9 Å²	85.9	58%	0.578	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-56.2	145.3	163.5	-19.8	32.2	0	0	0	109.7	T313	P311-T313 PolarHBondContact O-N 3.17Å
312	P	45.3	Very low	58.4	Low	66 Å²	66	93.8 Å²	93.8	43%	0.429	50%	0.502	S	S	.	.			trans	-68.5	97.4	176	27.9	-33.3	0	0	0	110.2	K314	P312-K314 PolarHBondContact O-N 2.81Å
313	T	41.4	Very low	55.9	Low	113 Å²	113	98.7 Å²	98.7	69%	0.693	54%	0.537	S	S	*	.			trans	-60	124.1	166.8	-51.8	0	0	0	0	108.4	P311 M315	P311-T313 PolarHBondContact O-N 3.17Å; T313-M315 HydrophobicContact CG2-CG 4.31Å; T313-M315 PolarHBondContact O-N 3.41Å
314	K	37.3	Very low	53.3	Low	212 Å²	212	106 Å²	106	92%	0.922	58%	0.576	S	S	*	*			trans	-70.8	74	171.7	-72.1	-167.8	173.8	-166.7	0	110.6	P312 G316	P312-K314 PolarHBondContact O-N 2.81Å; K314-G316 PolarHBondContact O-N 3.37Å; K314-G316 VanDerWaalsContact O-N 3.11Å
315	M	36.2	Very low	50.7	Low	162 Å²	162	110.9 Å²	110.9	80%	0.798	60%	0.6	S	S	*	*			trans	-71.8	95.8	161.3	-76.4	-177.7	164.7	0	0	107.5	T313 L317	T313-M315 HydrophobicContact CG2-CG 4.31Å; T313-M315 PolarHBondContact O-N 3.41Å; M315-L317 PolarHBondContact O-N 2.92Å; M315-L317 VanDerWaalsContact O-N 3.09Å
316	G	39	Very low	48.3	Very low	76 Å²	76	119 Å²	119	78%	0.784	64%	0.638	S	S	*	*			trans	-71.6	98.3	-179.7	0	0	0	0	0	111.7	K314	K314-G316 PolarHBondContact O-N 3.37Å; K314-G316 VanDerWaalsContact O-N 3.11Å
317	L	43	Very low	46	Very low	154 Å²	154	121.3 Å²	121.3	81%	0.806	67%	0.666	S	S	*	*			trans	-136.2	146.2	156.1	-81.7	172.5	0	0	0	107.6	M315	M315-L317 PolarHBondContact O-N 2.92Å; M315-L317 VanDerWaalsContact O-N 3.09Å
318	D	34.1	Very low	43.9	Very low	153 Å²	153	124.3 Å²	124.3	82%	0.818	69%	0.687	S	S	*	*			trans	63.2	76.6	174.3	-49.7	-25.4	0	0	0	115.9	D320	D318-D320 PolarHBondContact O-N 2.92Å
319	E	42.2	Very low	42.8	Very low	202 Å²	202	127.2 Å²	127.2	94%	0.944	70%	0.704	S	S	*	*			trans	-71.1	91.9	150.2	-79.1	-169.6	119.5	0	0	109.5
320	D	40.1	Very low	42.2	Very low	146 Å²	146	128.7 Å²	128.7	78%	0.781	71%	0.707	S	S	*	*			trans	-165	146.2	137.2	-130.9	-21.9	0	0	0	113.4	D318	D318-D320 PolarHBondContact O-N 2.92Å
321	N	35.8	Very low	43.3	Very low	139 Å²	139	126.1 Å²	126.1	74%	0.743	70%	0.703	S	S	*	*	S	Bend	trans	89.1	120.7	178.7	-54.8	-91.7	0	0	0	119.2
322	E	33.6	Very low	45.2	Very low	165 Å²	165	121.9 Å²	121.9	77%	0.771	68%	0.675	S	S	*	*			trans	55.1	115.3	155.3	-55.9	-52.4	88	0	0	121.2	D324	E322-D324 VanDerWaalsContact C-N 3.29Å; E322-D324 PolarHBondContact O-N 3.18Å
323	P	38.4	Very low	47.4	Very low	134 Å²	134	118.8 Å²	118.8	87%	0.87	66%	0.655	S	S	*	*	S	Bend	trans	-86.3	51.2	178.8	38.8	-37.8	0	0	0	113.1
324	D	38.3	Very low	49.7	Very low	156 Å²	156	113.4 Å²	113.4	83%	0.834	62%	0.622	S	S	*	*			trans	-139	74.8	175.9	-161.1	21.5	0	0	0	113.4	E322	E322-D324 VanDerWaalsContact C-N 3.29Å; E322-D324 PolarHBondContact O-N 3.18Å
325	N	35.3	Very low	52.3	Low	141 Å²	141	103.3 Å²	103.3	75%	0.754	58%	0.579	S	S	*	*			trans	-150	137.4	154.3	-167.1	17.1	0	0	0	110
326	E	38.6	Very low	54.9	Low	173 Å²	173	97 Å²	97	81%	0.808	55%	0.548	S	S	*	.			trans	-62.3	150.5	174.7	-67.5	-175.6	100.8	0	0	110.7	C328	E326-C328 PolarHBondContact O-N 3.26Å
327	G	37.6	Very low	57.3	Low	61 Å²	61	93.4 Å²	93.4	63%	0.629	51%	0.511	S	S	*	.			trans	-66.6	76.2	175.5	0	0	0	0	0	112.2	N329	G327-N329 PolarHBondContact O-N 3.33Å; G327-N329 VanDerWaalsContact O-N 3.13Å
328	C	43.3	Very low	59.5	Low	76 Å²	76	91.6 Å²	91.6	51%	0.514	49%	0.493	S	S	.	.			trans	-67.4	109.8	-172.2	58.2	0	0	0	0	111.1	E326 L330	E326-C328 PolarHBondContact O-N 3.26Å; C328-L330 PolarHBondContact O-N 3.24Å
329	N	55.2	Low	61.9	Low	102 Å²	102	87.7 Å²	87.7	55%	0.545	47%	0.472	S	S	.	.			trans	-55.4	123.4	171.3	-63.4	-74.9	0	0	0	109.3	W310 G327 S331	W310-N329 CarbonylContact O-C 3.51Å; W310-N329 WeakPolarHBondContact O-CA 3.31Å; G327-N329 PolarHBondContact O-N 3.33Å; G327-N329 VanDerWaalsContact O-N 3.13Å; N329-S331 PolarHBondContact O-N 3.43Å
330	L	63.7	Low	63.3	Low	91 Å²	91	80.8 Å²	80.8	48%	0.476	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	92.6	-174.5	-71.2	172.9	0	0	0	109.6	W310 C328 C332	W310-L330 HydrophobicContact CB-CB 4.46Å; W310-L330 PolarHBondContact N-O 3.48Å; W310-L330 PolarHBondContact O-N 3.06Å; C328-L330 PolarHBondContact O-N 3.24Å; L330-C332 PolarHBondContact O-N 3.3Å
331	S	82.9	Confident	64.4	Low	37 Å²	37	78.2 Å²	78.2	26%	0.259	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	123.2	170.1	-175.6	0	0	0	0	109.3	C183 N329	C183-S331 WeakPolarHBondContact CB-O 3.24Å; C183-S331 PolarHBondContact N-O 3.29Å; C183-S331 VanDerWaalsContact SG-C 3.6Å; C183-S331 PolarHBondContact SG-O 2.96Å; C183-S331 VanDerWaalsContact SG-O 3.4Å; C183-S331 PolarHBondContact SG-OG 2.81Å; N329-S331 PolarHBondContact O-N 3.43Å
332	C	88.8	Confident	65.4	Low	1 Å²	1	76.3 Å²	76.3	1%	0.007	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.6	176.1	68.6	0	0	0	0	111.3	V180 V181 L189 L307 K308 W310 L330	V180-C332 HydrophobicContact CG1-CB 3.92Å; V181-C332 CarbonylContact O-C 3.54Å; V181-C332 WeakPolarHBondContact O-CA 3.44Å; V181-C332 WeakPolarHBondContact O-CB 3.34Å; L189-C332 HydrophobicContact CD1-CB 4.39Å; L307-C332 CarbonylContact C-O 3.59Å; L307-C332 WeakPolarHBondContact CA-O 3.34Å; K308-C332 PolarHBondContact N-O 3.26Å; K308-C332 PolarHBondContact O-N 2.65Å; K308-C332 PolarHBondContact O-SG 2.85Å; W310-C332 VanDerWaalsContact CD1-SG 3.53Å; W310-C332 PolarHBondContact NE1-SG 2.89Å; L330-C332 PolarHBondContact O-N 3.3Å
333	L	90.7	Very high	66.5	Low	0 Å²	0	72 Å²	72	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121.2	164.7	173.6	61.6	0	0	0	108.4	F179 V180 V181 L227 R264 F266 L307 A335	F179-L333 HydrophobicContact CE2-CD2 4.44Å; V180-L333 WeakPolarHBondContact CA-O 3.49Å; V181-L333 PolarHBondContact N-O 2.84Å; V181-L333 PolarHBondContact O-N 2.93Å; L227-L333 HydrophobicContact CD2-CB 3.64Å; L227-L333 HydrophobicContact CD2-CD2 3.8Å; L227-L333 HydrophobicContact CD2-CG 4.38Å; R264-L333 HydrophobicContact CB-CD1 4Å; R264-L333 HydrophobicContact CG-CD1 4.07Å; F266-L333 HydrophobicContact CE1-CD2 3.91Å; F266-L333 HydrophobicContact CZ-CD2 4.09Å; L307-L333 HydrophobicContact CD2-CB 3.88Å; L307-L333 HydrophobicContact CD2-CD1 4.1Å; L333-A335 HydrophobicContact CD1-CB 4.14Å; L333-A335 HydrophobicContact CD2-CB 4.33Å; L333-A335 HydrophobicContact CG-CB 4Å
334	V	90.3	Very high	67.1	Low	0 Å²	0	70.9 Å²	70.9	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.3	166.3	-176.6	0	0	0	0	107.8	L178 V180 G305 Y306 V614 L618	L178-V334 HydrophobicContact CD1-CG1 3.98Å; L178-V334 HydrophobicContact CD2-CG1 4.47Å; L178-V334 HydrophobicContact CG-CG1 4.46Å; V180-V334 HydrophobicContact CG1-CG2 4.04Å; V180-V334 HydrophobicContact CG2-CG1 4.18Å; V180-V334 HydrophobicContact CG2-CG2 3.96Å; G305-V334 CarbonylContact C-O 3.59Å; G305-V334 WeakPolarHBondContact CA-O 3.42Å; Y306-V334 PolarHBondContact N-O 3.41Å; Y306-V334 PolarHBondContact O-N 3.31Å; V334-V614 HydrophobicContact CB-CG1 3.86Å; V334-V614 HydrophobicContact CG1-CB 4.09Å; V334-V614 HydrophobicContact CG1-CG1 3.77Å; V334-V614 HydrophobicContact CG2-CB 4.41Å; V334-V614 HydrophobicContact CG2-CG1 3.86Å; V334-V614 HydrophobicContact CG2-CG2 4.36Å; V334-L618 HydrophobicContact CG1-CD1 4.23Å
335	A	91.4	Very high	67.9	Low	1 Å²	1	65.8 Å²	65.8	1%	0.008	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.3	-172.1	0	0	0	0	0	112.9	L178 F179 T304 L333	L178-A335 CarbonylContact C-O 3.57Å; L178-A335 WeakPolarHBondContact CA-O 3.32Å; F179-A335 WeakPolarHBondContact CD1-O 3.26Å; F179-A335 HydrophobicContact CE1-CB 4.02Å; F179-A335 HydrophobicContact CE2-CB 4.01Å; F179-A335 HydrophobicContact CZ-CB 3.69Å; F179-A335 PolarHBondContact N-O 3.49Å; F179-A335 PolarHBondContact O-N 2.67Å; T304-A335 CarbonylContact O-C 3.56Å; T304-A335 WeakPolarHBondContact O-CA 3.13Å; L333-A335 HydrophobicContact CD1-CB 4.14Å; L333-A335 HydrophobicContact CD2-CB 4.33Å; L333-A335 HydrophobicContact CG-CB 4Å
336	I	90.4	Very high	68.8	Low	30 Å²	30	66.6 Å²	66.6	15%	0.154	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.6	167.8	-58.2	175.6	0	0	0	107.7	F177 S303 T304 R338	F177-I336 CarbonylContact O-C 3.56Å; F177-I336 WeakPolarHBondContact O-CA 3.24Å; S303-I336 WeakPolarHBondContact CA-O 3.27Å; T304-I336 PolarHBondContact N-O 3.27Å; T304-I336 PolarHBondContact O-N 2.9Å; I336-R338 HydrophobicContact CG2-CG 4.09Å
337	G	90.9	Very high	69.6	Low	0 Å²	0	63.1 Å²	63.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	114.2	167.6	0	0	0	0	0	110.1	G176 F177 H302	G176-G337 CarbonylContact C-O 3.45Å; G176-G337 VanDerWaalsContact CA-O 3.25Å; G176-G337 WeakPolarHBondContact CA-O 3.5Å; F177-G337 WeakPolarHBondContact CD1-O 3.44Å; F177-G337 PolarHBondContact N-O 3.3Å; F177-G337 PolarHBondContact O-N 3.38Å; H302-G337 WeakPolarHBondContact O-CA 3.36Å
338	R	88.8	Confident	70.4	Confident	115 Å²	115	63.6 Å²	63.6	43%	0.434	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136	172.5	-64.3	-173.6	170.3	162.1	-0.2	110	A174 I301 H302 I336 H340	A174-R338 VanDerWaalsContact O-CD 3.25Å; A174-R338 WeakPolarHBondContact O-CD 3.24Å; A174-R338 WeakPolarHBondContact O-CG 3.27Å; A174-R338 PolarHBondContact O-NE 3.45Å; I301-R338 WeakPolarHBondContact CA-O 3.38Å; H302-R338 PolarHBondContact N-O 2.79Å; H302-R338 PolarHBondContact O-N 3.44Å; I336-R338 HydrophobicContact CG2-CG 4.09Å; R338-H340 PolarHBondContact O-N 2.79Å
339	L	84.8	Confident	71.1	Confident	71 Å²	71	64.1 Å²	64.1	37%	0.372	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.5	164.9	-176.4	62.7	0	0	0	107.3	I198 C299 I301 P341	I198-L339 HydrophobicContact CG2-CB 4.06Å; C299-L339 HydrophobicContact CB-CD1 3.93Å; I301-L339 HydrophobicContact CD1-CB 4.34Å; I301-L339 HydrophobicContact CD1-CD1 3.92Å; L339-P341 WeakPolarHBondContact O-CD 3.28Å
340	H	70.3	Confident	71.3	Confident	57 Å²	57	64.2 Å²	64.2	26%	0.264	37%	0.367	S	S	.	.			trans	-102.5	94.9	177.1	-148	91.4	0	0	0	109.1	F267 T300 R338 A378	F267-H340 HydrophobicContact CE1-CB 4.04Å; T300-H340 PolarHBondContact O-N 2.84Å; R338-H340 PolarHBondContact O-N 2.79Å; H340-A378 VanDerWaalsContact NE2-CB 3.3Å; H340-A378 WeakPolarHBondContact NE2-CB 3.29Å
341	P	62.9	Low	71.1	Confident	92 Å²	92	67.6 Å²	67.6	60%	0.597	39%	0.386	S	S	*	.			trans	-59.7	151.4	171.3	27.5	-34.5	0	0	0	109.5	L339 I343	L339-P341 WeakPolarHBondContact O-CD 3.28Å; P341-I343 PolarHBondContact O-N 3.43Å
342	H	57.3	Low	70.3	Confident	99 Å²	99	71 Å²	71	46%	0.458	40%	0.4	S	S	.	.			trans	-64.6	128.4	175.6	-62.4	-29.3	0	0	0	109.2	V344 A381	H342-V344 VanDerWaalsContact C-N 3.32Å; H342-V344 PolarHBondContact O-N 2.89Å; H342-A381 WeakPolarHBondContact CE1-CB 3.3Å
343	I	56.9	Low	69.2	Low	75 Å²	75	82.8 Å²	82.8	39%	0.385	44%	0.444	S	S	.	.			trans	-70.7	92.3	-177.7	-57	176.9	0	0	0	108	P341 P345 T357 A378	P341-I343 PolarHBondContact O-N 3.43Å; I343-P345 VanDerWaalsContact O-CD 3.23Å; I343-P345 WeakPolarHBondContact O-CD 3.22Å; I343-T357 HydrophobicContact CD1-CG2 4.49Å; I343-A378 HydrophobicContact CD1-CB 3.9Å; I343-A378 HydrophobicContact CG1-CB 4.49Å
344	V	51.6	Low	68.5	Low	110 Å²	110	87.2 Å²	87.2	67%	0.667	47%	0.471	S	S	*	.			trans	-65.9	117	164	-179.6	0	0	0	0	106.8	H342 Q346	H342-V344 VanDerWaalsContact C-N 3.32Å; H342-V344 PolarHBondContact O-N 2.89Å; V344-Q346 PolarHBondContact O-N 3.38Å
345	P	54.1	Low	67.8	Low	50 Å²	50	96 Å²	96	33%	0.325	51%	0.51	S	S	.	.			trans	-70.1	100	-179.8	-18.2	33.6	0	0	0	109.4	I343 V459 S461	I343-P345 VanDerWaalsContact O-CD 3.23Å; I343-P345 WeakPolarHBondContact O-CD 3.22Å; P345-V459 HydrophobicContact CB-CG1 4.35Å; P345-V459 HydrophobicContact CG-CG1 3.74Å; P345-S461 WeakPolarHBondContact CB-OG 3.09Å
346	Q	54.1	Low	67.1	Low	157 Å²	157	99.5 Å²	99.5	73%	0.734	53%	0.532	S	S	*	.			trans	-59.6	134.6	174.1	-69	-69.1	7.4	0	0	109.4	V344 S348	V344-Q346 PolarHBondContact O-N 3.38Å; Q346-S348 PolarHBondContact O-N 2.82Å; Q346-S348 VanDerWaalsContact O-N 3.12Å
347	P	55.4	Low	67	Low	100 Å²	100	100.6 Å²	100.6	65%	0.649	54%	0.54	S	S	*	.			trans	-65.9	113.4	173.9	27.2	-32.3	0	0	0	108.8
348	S	54.7	Low	67.1	Low	72 Å²	72	103.5 Å²	103.5	50%	0.503	55%	0.553	S	S	.	*			trans	-68.6	134.3	179.2	52.9	0	0	0	0	110.9	Q346	Q346-S348 PolarHBondContact O-N 2.82Å; Q346-S348 VanDerWaalsContact O-N 3.12Å
349	P	57.6	Low	67.4	Low	87 Å²	87	98 Å²	98	57%	0.565	53%	0.533	S	S	*	.			trans	-59.2	141.2	167.6	27.4	-34.4	0	0	0	109.7	D351 I352	P349-D351 PolarHBondContact O-N 2.95Å; P349-I352 HydrophobicContact CG-CD1 4.14Å; P349-I352 HydrophobicContact CG-CG1 4.38Å; P349-I352 PolarHBondContact O-N 3.05Å; P349-I352 VanDerWaalsContact O-N 3.17Å
350	A	59.3	Low	68	Low	104 Å²	104	96.2 Å²	96.2	86%	0.86	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-30	-161.7	0	0	0	0	0	115
351	D	59.7	Low	69.3	Low	162 Å²	162	93.5 Å²	93.5	87%	0.866	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.4	-175.4	-59.9	-56.1	0	0	0	114.5	P349	P349-D351 PolarHBondContact O-N 2.95Å
352	I	66.8	Low	70.9	Confident	108 Å²	108	93 Å²	93	55%	0.554	50%	0.499	S	S	*	.			trans	-99.9	106.6	-177.9	-54.8	-177.6	0	0	0	110	P349 V354	P349-I352 HydrophobicContact CG-CD1 4.14Å; P349-I352 HydrophobicContact CG-CG1 4.38Å; P349-I352 PolarHBondContact O-N 3.05Å; P349-I352 VanDerWaalsContact O-N 3.17Å; I352-V354 HydrophobicContact CG2-CG2 3.91Å; I352-V354 PolarHBondContact O-N 3.04Å
353	R	66.4	Low	72.8	Confident	249 Å²	249	88.6 Å²	88.6	94%	0.94	48%	0.478	S	S	*	.			trans	-71.7	76.6	172.8	-173.1	-179.1	-79.5	-166.6	-3.7	111.4
354	V	74.3	Confident	74.7	Confident	92 Å²	92	86.2 Å²	86.2	56%	0.558	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-63.5	139.9	170.9	-176.1	0	0	0	0	109.8	I352	I352-V354 HydrophobicContact CG2-CG2 3.91Å; I352-V354 PolarHBondContact O-N 3.04Å
355	K	76.4	Confident	76.7	Confident	186 Å²	186	83.4 Å²	83.4	81%	0.809	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-68.3	122.8	172.9	-177.4	177.6	180	177.3	0	109
356	P	77.8	Confident	78.6	Confident	73 Å²	73	82.2 Å²	82.2	47%	0.474	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-65.7	149.9	-175.6	28.2	-35.9	0	0	0	111.6	T458	P356-T458 HydrophobicContact CB-CG2 3.85Å; P356-T458 HydrophobicContact CG-CG2 4.23Å
357	T	87.3	Confident	80.4	Confident	53 Å²	53	74.7 Å²	74.7	33%	0.325	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-77.1	123.7	178.1	-38.4	0	0	0	0	109.7	I343 I379 V459	I343-T357 HydrophobicContact CD1-CG2 4.49Å; T357-I379 HydrophobicContact CG2-CD1 3.74Å; T357-I379 HydrophobicContact CG2-CG1 3.82Å; T357-V459 WeakPolarHBondContact O-CG2 3.46Å; T357-V459 PolarHBondContact O-N 2.87Å
358	E	93.3	Very high	82.4	Confident	61 Å²	61	73.5 Å²	73.5	29%	0.285	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.7	-175.3	-57	-165.8	138.6	0	0	112.1	R375 N457 T458	E358-R375 WeakPolarHBondContact O-CD 3.46Å; E358-R375 PolarHBondContact O-NE 3.16Å; E358-R375 PolarHBondContact O-NH1 2.77Å; E358-N457 VanDerWaalsContact CA-O 3.28Å; E358-N457 WeakPolarHBondContact CA-O 3.48Å; E358-T458 HydrophobicContact CG-CG2 3.99Å; E358-T458 PolarHBondContact OE1-OG1 3.33Å
359	Y	95.1	Very high	84.4	Confident	1 Å²	1	70.3 Å²	70.3	0%	0.004	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152	165.9	70.4	-85.2	0	0	0	111.6	V372 A376 I379 L380 L435 N457	Y359-V372 HydrophobicContact CD2-CG2 4.41Å; Y359-A376 HydrophobicContact CD2-CB 3.57Å; Y359-A376 HydrophobicContact CE2-CB 4.18Å; Y359-A376 HydrophobicContact CG-CB 3.78Å; Y359-I379 HydrophobicContact CD1-CD1 3.75Å; Y359-I379 HydrophobicContact CD1-CG2 4.4Å; Y359-I379 HydrophobicContact CG-CD1 4.34Å; Y359-L380 HydrophobicContact CE1-CD1 4.16Å; Y359-L380 HydrophobicContact CE1-CD2 4.04Å; Y359-L380 HydrophobicContact CE1-CG 4.21Å; Y359-L380 HydrophobicContact CE2-CD1 4.06Å; Y359-L435 HydrophobicContact CE1-CD1 4.08Å; Y359-L435 HydrophobicContact CE1-CD2 4.4Å; Y359-L435 VanDerWaalsContact OH-CD1 3.28Å; Y359-L435 WeakPolarHBondContact OH-CD1 3.3Å; Y359-N457 HydrophobicContact CD1-CB 3.98Å; Y359-N457 HydrophobicContact CD2-CB 4.3Å; Y359-N457 WeakPolarHBondContact CD2-ND2 3.31Å; Y359-N457 HydrophobicContact CE1-CB 3.51Å; Y359-N457 HydrophobicContact CE2-CB 3.86Å; Y359-N457 WeakPolarHBondContact CE2-ND2 3.36Å; Y359-N457 HydrophobicContact CG-CB 4.36Å; Y359-N457 VanDerWaalsContact CZ-CB 3.42Å; Y359-N457 VanDerWaalsContact CZ-CG 3.49Å; Y359-N457 PolarHBondContact N-O 3.08Å; Y359-N457 PolarHBondContact O-N 2.69Å; Y359-N457 PolarHBondContact O-ND2 2.82Å
360	V	96.6	Very high	86.3	Confident	33 Å²	33	69.8 Å²	69.8	20%	0.2	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.4	176.1	175.6	0	0	0	0	110.2	D373 V454 S455	V360-D373 HydrophobicContact CB-CB 4.39Å; V360-D373 VanDerWaalsContact O-CB 3.22Å; V360-D373 WeakPolarHBondContact O-CB 3.28Å; V360-D373 PolarHBondContact O-N 3.08Å; V360-V454 HydrophobicContact CG1-CG1 4.38Å; V360-S455 WeakPolarHBondContact CA-O 3.19Å
361	S	97.5	Very high	88.1	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152	168.9	48.9	0	0	0	0	110.2	H363 F371 S455 N457	S361-H363 WeakPolarHBondContact CB-NE2 3.36Å; S361-H363 PolarHBondContact OG-CE1 3.47Å; S361-H363 PolarHBondContact OG-NE2 2.83Å; S361-F371 CarbonylContact C-O 3.57Å; S361-F371 WeakPolarHBondContact CA-O 3.29Å; S361-S455 PolarHBondContact N-O 3.01Å; S361-S455 PolarHBondContact O-N 2.82Å; S361-N457 PolarHBondContact OG-ND2 3.21Å
362	R	97.3	Very high	89.8	Confident	82 Å²	82	61.1 Å²	61.1	31%	0.309	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.9	166.8	-53.2	-172	-71.3	-90.5	6	109.1	V370 F371 Y452 I453 V454	R362-V370 HydrophobicContact CB-CG2 3.92Å; R362-V370 WeakPolarHBondContact O-CG2 3.47Å; R362-V370 PolarHBondContact O-N 2.77Å; R362-F371 HydrophobicContact CB-CB 3.98Å; R362-F371 HydrophobicContact CG-CB 4.17Å; R362-F371 HydrophobicContact CG-CD1 4.19Å; R362-F371 VanDerWaalsContact CZ-CG 3.41Å; R362-F371 PolarHBondContact N-O 3.05Å; R362-F371 VanDerWaalsContact NH1-CD1 3.34Å; R362-F371 PolarHBondContact O-N 3.22Å; R362-F371 VanDerWaalsContact O-N 3.12Å; R362-Y452 HydrophobicContact CB-CD2 4.24Å; R362-Y452 HydrophobicContact CB-CG 4.35Å; R362-Y452 HydrophobicContact CG-CD2 4.21Å; R362-Y452 HydrophobicContact CG-CE2 4.48Å; R362-I453 CarbonylContact C-O 3.51Å; R362-I453 VanDerWaalsContact CA-O 3.3Å; R362-I453 WeakPolarHBondContact CA-O 3.49Å; R362-V454 HydrophobicContact CG-CG2 4.37Å
363	H	97.2	Very high	91	Very high	5 Å²	5	57.3 Å²	57.3	2%	0.023	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.3	-174.4	-47.7	-90.1	0	0	0	111	S361 K368 F369 F392 Y452 I453	S361-H363 WeakPolarHBondContact CB-NE2 3.36Å; S361-H363 PolarHBondContact OG-CE1 3.47Å; S361-H363 PolarHBondContact OG-NE2 2.83Å; H363-K368 CarbonylContact C-O 3.57Å; H363-K368 WeakPolarHBondContact CA-O 3.33Å; H363-K368 WeakPolarHBondContact CB-O 3.09Å; H363-F369 AromaticContact CE1-CD1 3.46Å; H363-F369 VanDerWaalsContact CE1-CD1 3.46Å; H363-F369 WeakPolarHBondContact CE1-CD1 3.45Å; H363-F369 AromaticContact CE1-CE1 3.39Å; H363-F369 WeakPolarHBondContact CE1-CE1 3.21Å; H363-F369 AromaticContact ND1-CD1 3.7Å; H363-F369 AromaticContact ND1-CG 3.99Å; H363-F392 HydrophobicContact CB-CD1 4.33Å; H363-F392 HydrophobicContact CB-CE1 4.28Å; H363-F392 AromaticContact CE1-CD1 3.92Å; H363-F392 AromaticContact CG-CD1 3.89Å; H363-F392 AromaticContact ND1-CD1 3.54Å; H363-Y452 CarbonylContact O-C 3.6Å; H363-Y452 WeakPolarHBondContact O-CA 3.45Å; H363-Y452 VanDerWaalsContact O-CB 3.24Å; H363-Y452 WeakPolarHBondContact O-CB 3.41Å; H363-I453 HydrophobicContact CB-CB 4.45Å; H363-I453 PolarHBondContact N-O 2.82Å; H363-I453 PolarHBondContact O-N 2.99Å
364	A	96	Very high	92	Very high	25 Å²	25	49.8 Å²	49.8	21%	0.207	26%	0.255	C	S	.	.			trans	-66.9	165.7	166.6	0	0	0	0	0	110.5	D366 G367 K368 V370	A364-D366 PolarHBondContact O-N 2.82Å; A364-D366 VanDerWaalsContact O-N 3.09Å; A364-G367 PolarHBondContact O-N 3.47Å; A364-K368 PolarHBondContact N-O 2.89Å; A364-V370 HydrophobicContact CB-CG1 3.9Å
365	I	93.8	Very high	92.8	Very high	52 Å²	52	50.2 Å²	50.2	27%	0.267	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21	178	62.3	172.5	0	0	0	113.7	G367 H408 L412 V450 A516 M520	I365-G367 VanDerWaalsContact C-N 3.31Å; I365-H408 PolarHBondContact O-CE1 3.16Å; I365-H408 VanDerWaalsContact O-CE1 3.23Å; I365-H408 PolarHBondContact O-NE2 3.05Å; I365-L412 HydrophobicContact CB-CD2 4.2Å; I365-L412 HydrophobicContact CG2-CD2 3.92Å; I365-V450 HydrophobicContact CG2-CB 4.32Å; I365-V450 HydrophobicContact CG2-CG1 3.96Å; I365-A516 HydrophobicContact CB-CB 4.42Å; I365-A516 HydrophobicContact CD1-CB 4.27Å; I365-A516 HydrophobicContact CG1-CB 4.08Å; I365-A516 WeakPolarHBondContact O-CB 3.48Å; I365-M520 HydrophobicContact CD1-CG 4.26Å; I365-M520 HydrophobicContact CD1-SD 4.3Å
366	D	93.9	Very high	93.5	Very high	24 Å²	24	41.4 Å²	41.4	13%	0.128	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	11.9	174.6	77.6	-16.6	0	0	0	114.2	A364 K368 G512 R513 A516	A364-D366 PolarHBondContact O-N 2.82Å; A364-D366 VanDerWaalsContact O-N 3.09Å; D366-K368 VanDerWaalsContact C-N 3.32Å; D366-K368 PolarHBondContact O-N 2.79Å; D366-K368 WeakPolarHBondContact OD1-CB 3.5Å; D366-K368 VanDerWaalsContact OD1-CG 3.31Å; D366-K368 WeakPolarHBondContact OD1-CG 3.41Å; D366-K368 PolarHBondContact OD1-N 3.11Å; D366-K368 WeakPolarHBondContact OD2-CD 3.3Å; D366-K368 WeakPolarHBondContact OD2-CE 3.26Å; D366-K368 IonicContact OD2-NZ 3.72Å; D366-K368 PolarHBondContact OD2-NZ 3.37Å; D366-G512 WeakPolarHBondContact CA-O 3.41Å; D366-G512 CarbonylContact O-C 3.48Å; D366-G512 VanDerWaalsContact O-CA 3.3Å; D366-G512 WeakPolarHBondContact O-CA 3.33Å; D366-R513 HydrophobicContact CB-CB 4.32Å; D366-A516 HydrophobicContact CB-CB 4.27Å
367	G	93.4	Very high	94.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	76.4	8.7	178.2	0	0	0	0	0	115.3	A364 I365 F392	A364-G367 PolarHBondContact O-N 3.47Å; I365-G367 VanDerWaalsContact C-N 3.31Å; G367-F392 WeakPolarHBondContact O-CD1 3.24Å; G367-F392 WeakPolarHBondContact O-CG 3.29Å; G367-F392 PolarHBondContact O-N 3.17Å
368	K	96.4	Very high	94.3	Very high	75 Å²	75	36 Å²	36	33%	0.326	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-74.1	140.4	173.5	-70.8	174.9	-172.9	134	0	112.6	H363 A364 D366 V370 G389 T390	H363-K368 CarbonylContact C-O 3.57Å; H363-K368 WeakPolarHBondContact CA-O 3.33Å; H363-K368 WeakPolarHBondContact CB-O 3.09Å; A364-K368 PolarHBondContact N-O 2.89Å; D366-K368 VanDerWaalsContact C-N 3.32Å; D366-K368 PolarHBondContact O-N 2.79Å; D366-K368 WeakPolarHBondContact OD1-CB 3.5Å; D366-K368 VanDerWaalsContact OD1-CG 3.31Å; D366-K368 WeakPolarHBondContact OD1-CG 3.41Å; D366-K368 PolarHBondContact OD1-N 3.11Å; D366-K368 WeakPolarHBondContact OD2-CD 3.3Å; D366-K368 WeakPolarHBondContact OD2-CE 3.26Å; D366-K368 IonicContact OD2-NZ 3.72Å; D366-K368 PolarHBondContact OD2-NZ 3.37Å; K368-V370 PolarHBondContact O-N 3.43Å; K368-G389 WeakPolarHBondContact CD-O 3.29Å; K368-T390 CarbonylContact C-O 3.48Å; K368-T390 WeakPolarHBondContact CA-O 3.14Å
369	F	97.3	Very high	94.1	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	123.3	169.9	-66.8	-92.2	0	0	0	111.1	H363 L387 G389 T390 F392 Y395 F425	H363-F369 AromaticContact CE1-CD1 3.46Å; H363-F369 VanDerWaalsContact CE1-CD1 3.46Å; H363-F369 WeakPolarHBondContact CE1-CD1 3.45Å; H363-F369 AromaticContact CE1-CE1 3.39Å; H363-F369 WeakPolarHBondContact CE1-CE1 3.21Å; H363-F369 AromaticContact ND1-CD1 3.7Å; H363-F369 AromaticContact ND1-CG 3.99Å; F369-L387 WeakPolarHBondContact CB-O 3.43Å; F369-L387 HydrophobicContact CD1-CB 4.49Å; F369-L387 HydrophobicContact CD2-CB 4.15Å; F369-L387 WeakPolarHBondContact CD2-O 3.26Å; F369-L387 HydrophobicContact CE2-CB 4.48Å; F369-L387 HydrophobicContact CE2-CD2 4.3Å; F369-L387 HydrophobicContact CG-CB 4.17Å; F369-L387 HydrophobicContact CZ-CD2 4.48Å; F369-G389 PolarHBondContact O-N 2.66Å; F369-T390 WeakPolarHBondContact CD2-O 3.44Å; F369-T390 PolarHBondContact N-O 3.03Å; F369-F392 HydrophobicContact CE2-CB 4.04Å; F369-F392 HydrophobicContact CZ-CB 4.19Å; F369-Y395 HydrophobicContact CE2-CD2 4.19Å; F369-Y395 HydrophobicContact CE2-CE2 4Å; F369-F425 HydrophobicContact CZ-CE2 4.36Å; F369-F425 HydrophobicContact CZ-CZ 4.16Å
370	V	96.6	Very high	93.9	Very high	77 Å²	77	33.8 Å²	33.8	47%	0.467	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-18.7	170.8	-60.8	0	0	0	0	112.7	R362 A364 K368 L388	R362-V370 HydrophobicContact CB-CG2 3.92Å; R362-V370 WeakPolarHBondContact O-CG2 3.47Å; R362-V370 PolarHBondContact O-N 2.77Å; A364-V370 HydrophobicContact CB-CG1 3.9Å; K368-V370 PolarHBondContact O-N 3.43Å; V370-L388 WeakPolarHBondContact O-CD2 3.34Å
371	F	96.6	Very high	93.6	Very high	74 Å²	74	32.4 Å²	32.4	33%	0.325	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	148.3	169.3	172.4	-93.2	0	0	0	110.3	S361 R362 D373	S361-F371 CarbonylContact C-O 3.57Å; S361-F371 WeakPolarHBondContact CA-O 3.29Å; R362-F371 HydrophobicContact CB-CB 3.98Å; R362-F371 HydrophobicContact CG-CB 4.17Å; R362-F371 HydrophobicContact CG-CD1 4.19Å; R362-F371 VanDerWaalsContact CZ-CG 3.41Å; R362-F371 PolarHBondContact N-O 3.05Å; R362-F371 VanDerWaalsContact NH1-CD1 3.34Å; R362-F371 PolarHBondContact O-N 3.22Å; R362-F371 VanDerWaalsContact O-N 3.12Å; F371-D373 HydrophobicContact CE1-CB 4.41Å
372	V	95.7	Very high	93.4	Very high	10 Å²	10	34 Å²	34	6%	0.061	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	135.9	169.1	65.5	0	0	0	0	110.4	Y359 A376 P384 L387	Y359-V372 HydrophobicContact CD2-CG2 4.41Å; V372-A376 HydrophobicContact CG2-CB 3.28Å; V372-P384 HydrophobicContact CG1-CB 3.69Å; V372-P384 HydrophobicContact CG1-CG 4.18Å; V372-L387 HydrophobicContact CG1-CD1 4.34Å; V372-L387 HydrophobicContact CG2-CD1 4.14Å
373	D	92.3	Very high	93.1	Very high	28 Å²	28	30.1 Å²	30.1	15%	0.15	15%	0.149	C	C	.	.			trans	-66.5	145.4	177.9	-174.5	-36.4	0	0	0	111.6	V360 F371 R375 A376	V360-D373 HydrophobicContact CB-CB 4.39Å; V360-D373 VanDerWaalsContact O-CB 3.22Å; V360-D373 WeakPolarHBondContact O-CB 3.28Å; V360-D373 PolarHBondContact O-N 3.08Å; F371-D373 HydrophobicContact CE1-CB 4.41Å; D373-R375 PolarHBondContact O-N 2.76Å; D373-R375 VanDerWaalsContact O-N 3.09Å; D373-R375 WeakPolarHBondContact OD1-CB 3.34Å; D373-R375 WeakPolarHBondContact OD1-CG 3.26Å; D373-R375 PolarHBondContact OD1-N 3.34Å; D373-R375 IonicContact OD1-NE 2.81Å; D373-R375 PolarHBondContact OD1-NE 3.1Å; D373-R375 IonicContact OD2-CZ 2.92Å; D373-R375 IonicContact OD2-NE 3.85Å; D373-R375 PolarHBondContact OD2-NE 2.93Å; D373-R375 IonicContact OD2-NH2 3.6Å; D373-R375 PolarHBondContact OD2-NH2 2.76Å; D373-A376 VanDerWaalsContact O-CB 3.26Å; D373-A376 WeakPolarHBondContact O-CB 3.41Å; D373-A376 PolarHBondContact O-N 2.75Å
374	Q	87.6	Confident	92.9	Very high	90 Å²	90	31.6 Å²	31.6	42%	0.421	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.3	174	66.8	175.9	8	0	0	113.1	S265 F267 A376 T377	S265-Q374 PolarHBondContact OG-OE1 2.79Å; F267-Q374 HydrophobicContact CD2-CB 4.33Å; F267-Q374 HydrophobicContact CE2-CB 4.1Å; F267-Q374 VanDerWaalsContact CE2-O 3.26Å; F267-Q374 WeakPolarHBondContact CE2-O 3.32Å; Q374-A376 PolarHBondContact O-N 2.81Å; Q374-T377 PolarHBondContact O-N 2.89Å; Q374-T377 VanDerWaalsContact O-N 3.08Å
375	R	90.9	Very high	92.7	Very high	102 Å²	102	33.4 Å²	33.4	39%	0.385	16%	0.163	S	C	.	.	H	α-helix	trans	-57.8	-29.3	174.3	-69.9	-178.2	-69.7	160.6	-11.5	113.2	E358 D373 T377 A378 I379	E358-R375 WeakPolarHBondContact O-CD 3.46Å; E358-R375 PolarHBondContact O-NE 3.16Å; E358-R375 PolarHBondContact O-NH1 2.77Å; D373-R375 PolarHBondContact O-N 2.76Å; D373-R375 VanDerWaalsContact O-N 3.09Å; D373-R375 WeakPolarHBondContact OD1-CB 3.34Å; D373-R375 WeakPolarHBondContact OD1-CG 3.26Å; D373-R375 PolarHBondContact OD1-N 3.34Å; D373-R375 IonicContact OD1-NE 2.81Å; D373-R375 PolarHBondContact OD1-NE 3.1Å; D373-R375 IonicContact OD2-CZ 2.92Å; D373-R375 IonicContact OD2-NE 3.85Å; D373-R375 PolarHBondContact OD2-NE 2.93Å; D373-R375 IonicContact OD2-NH2 3.6Å; D373-R375 PolarHBondContact OD2-NH2 2.76Å; R375-T377 PolarHBondContact O-N 3.4Å; R375-A378 PolarHBondContact O-N 3.32Å; R375-I379 WeakPolarHBondContact O-CD1 3.41Å; R375-I379 WeakPolarHBondContact O-CG1 3.35Å; R375-I379 PolarHBondContact O-N 3.28Å
376	A	92.1	Very high	92.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66	-27	177.7	0	0	0	0	0	112.7	Y359 V372 D373 Q374 I379 L380	Y359-A376 HydrophobicContact CD2-CB 3.57Å; Y359-A376 HydrophobicContact CE2-CB 4.18Å; Y359-A376 HydrophobicContact CG-CB 3.78Å; V372-A376 HydrophobicContact CG2-CB 3.28Å; D373-A376 VanDerWaalsContact O-CB 3.26Å; D373-A376 WeakPolarHBondContact O-CB 3.41Å; D373-A376 PolarHBondContact O-N 2.75Å; Q374-A376 PolarHBondContact O-N 2.81Å; A376-I379 PolarHBondContact O-N 3.34Å; A376-L380 HydrophobicContact CB-CD1 4.17Å; A376-L380 WeakPolarHBondContact O-CA 3.3Å; A376-L380 VanDerWaalsContact O-CB 3.27Å; A376-L380 WeakPolarHBondContact O-CB 3.46Å; A376-L380 WeakPolarHBondContact O-CG 3.27Å; A376-L380 PolarHBondContact O-N 2.73Å
377	T	91.9	Very high	92.7	Very high	3 Å²	3	32 Å²	32	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-72.4	-31.8	177.2	-59.5	0	0	0	0	112.3	F267 T300 Q374 R375 A381 Y382 L383	F267-T377 HydrophobicContact CB-CG2 3.91Å; F267-T377 HydrophobicContact CD1-CG2 3.7Å; F267-T377 HydrophobicContact CD2-CG2 4.02Å; F267-T377 HydrophobicContact CE1-CG2 4.15Å; F267-T377 HydrophobicContact CE2-CG2 4.46Å; F267-T377 HydrophobicContact CG-CG2 3.61Å; T300-T377 HydrophobicContact CG2-CG2 4.26Å; Q374-T377 PolarHBondContact O-N 2.89Å; Q374-T377 VanDerWaalsContact O-N 3.08Å; R375-T377 PolarHBondContact O-N 3.4Å; T377-A381 VanDerWaalsContact O-CA 3.28Å; T377-A381 WeakPolarHBondContact O-CA 3.48Å; T377-A381 PolarHBondContact O-N 2.96Å; T377-Y382 VanDerWaalsContact CA-O 3.28Å; T377-Y382 WeakPolarHBondContact CA-O 3.42Å; T377-Y382 WeakPolarHBondContact CB-O 3.37Å; T377-Y382 WeakPolarHBondContact CG2-O 3.43Å; T377-Y382 PolarHBondContact OG1-O 3.37Å; T377-L383 HydrophobicContact CG2-CD1 4.3Å; T377-L383 HydrophobicContact CG2-CG 4.19Å
378	A	88.4	Confident	92.8	Very high	9 Å²	9	35.7 Å²	35.7	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-68.4	-36	172	0	0	0	0	0	113	H340 I343 R375	H340-A378 VanDerWaalsContact NE2-CB 3.3Å; H340-A378 WeakPolarHBondContact NE2-CB 3.29Å; I343-A378 HydrophobicContact CD1-CB 3.9Å; I343-A378 HydrophobicContact CG1-CB 4.49Å; R375-A378 PolarHBondContact O-N 3.32Å
379	I	89.8	Confident	92.7	Very high	16 Å²	16	34.4 Å²	34.4	8%	0.082	18%	0.182	C	C	.	.	H	α-helix	trans	-90.7	-44	-172.8	-60.5	162.5	0	0	0	112.4	T357 Y359 R375 A376 I433 V459	T357-I379 HydrophobicContact CG2-CD1 3.74Å; T357-I379 HydrophobicContact CG2-CG1 3.82Å; Y359-I379 HydrophobicContact CD1-CD1 3.75Å; Y359-I379 HydrophobicContact CD1-CG2 4.4Å; Y359-I379 HydrophobicContact CG-CD1 4.34Å; R375-I379 WeakPolarHBondContact O-CD1 3.41Å; R375-I379 WeakPolarHBondContact O-CG1 3.35Å; R375-I379 PolarHBondContact O-N 3.28Å; A376-I379 PolarHBondContact O-N 3.34Å; I379-I433 HydrophobicContact CG2-CD1 3.78Å; I379-V459 HydrophobicContact CD1-CG2 4.42Å; I379-V459 HydrophobicContact CG2-CG2 3.53Å
380	L	91.4	Very high	92.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-102.5	-5.5	-173	-49.2	177.6	0	0	0	113.7	Y359 A376 Y382 L387 F425 I427 K428 I433	Y359-L380 HydrophobicContact CE1-CD1 4.16Å; Y359-L380 HydrophobicContact CE1-CD2 4.04Å; Y359-L380 HydrophobicContact CE1-CG 4.21Å; Y359-L380 HydrophobicContact CE2-CD1 4.06Å; A376-L380 HydrophobicContact CB-CD1 4.17Å; A376-L380 WeakPolarHBondContact O-CA 3.3Å; A376-L380 VanDerWaalsContact O-CB 3.27Å; A376-L380 WeakPolarHBondContact O-CB 3.46Å; A376-L380 WeakPolarHBondContact O-CG 3.27Å; A376-L380 PolarHBondContact O-N 2.73Å; L380-Y382 HydrophobicContact CB-CD2 3.88Å; L380-Y382 VanDerWaalsContact O-CD2 3.29Å; L380-Y382 WeakPolarHBondContact O-CD2 3.35Å; L380-Y382 PolarHBondContact O-N 3.22Å; L380-L387 HydrophobicContact CD1-CD1 4.17Å; L380-F425 HydrophobicContact CD1-CE1 3.84Å; L380-F425 HydrophobicContact CD1-CZ 4.28Å; L380-F425 HydrophobicContact CD2-CD1 3.78Å; L380-F425 HydrophobicContact CD2-CE1 3.91Å; L380-F425 HydrophobicContact CG-CE1 4.4Å; L380-I427 HydrophobicContact CB-CG2 4.46Å; L380-I427 HydrophobicContact CD2-CG2 4.1Å; L380-K428 PolarHBondContact O-N 3.05Å; L380-I433 HydrophobicContact CD2-CD1 3.75Å
381	A	90.2	Very high	92.5	Very high	5 Å²	5	32.3 Å²	32.3	4%	0.041	17%	0.17	C	C	.	.			trans	62	-11.7	-173.5	0	0	0	0	0	116.8	H342 T377 K428	H342-A381 WeakPolarHBondContact CE1-CB 3.3Å; T377-A381 VanDerWaalsContact O-CA 3.28Å; T377-A381 WeakPolarHBondContact O-CA 3.48Å; T377-A381 PolarHBondContact O-N 2.96Å; A381-K428 VanDerWaalsContact C-CD 3.46Å; A381-K428 HydrophobicContact CB-CB 3.69Å; A381-K428 HydrophobicContact CB-CD 4.11Å; A381-K428 WeakPolarHBondContact O-CD 3.44Å; A381-K428 PolarHBondContact O-NZ 2.99Å
382	Y	92.6	Very high	92.5	Very high	34 Å²	34	29 Å²	29	13%	0.133	16%	0.155	C	C	.	.			trans	-71.9	135.5	172.5	-60.3	-71.3	0	0	0	112	T377 L380 E386 L387 Y395 K426 I427 K428	T377-Y382 VanDerWaalsContact CA-O 3.28Å; T377-Y382 WeakPolarHBondContact CA-O 3.42Å; T377-Y382 WeakPolarHBondContact CB-O 3.37Å; T377-Y382 WeakPolarHBondContact CG2-O 3.43Å; T377-Y382 PolarHBondContact OG1-O 3.37Å; L380-Y382 HydrophobicContact CB-CD2 3.88Å; L380-Y382 VanDerWaalsContact O-CD2 3.29Å; L380-Y382 WeakPolarHBondContact O-CD2 3.35Å; L380-Y382 PolarHBondContact O-N 3.22Å; Y382-E386 HydrophobicContact CD1-CB 4.35Å; Y382-L387 HydrophobicContact CD2-CD2 3.74Å; Y382-L387 HydrophobicContact CD2-CG 4.41Å; Y382-L387 HydrophobicContact CE2-CD2 4.34Å; Y382-L387 HydrophobicContact CG-CD2 3.86Å; Y382-L387 HydrophobicContact CG-CG 4.22Å; Y382-Y395 HydrophobicContact CD2-CE1 4.39Å; Y382-Y395 HydrophobicContact CE1-CE1 4.23Å; Y382-Y395 AromaticContact CE2-CD1 3.84Å; Y382-Y395 HydrophobicContact CE2-CD1 3.84Å; Y382-Y395 AromaticContact CE2-CE1 3.74Å; Y382-Y395 HydrophobicContact CE2-CE1 3.74Å; Y382-Y395 AromaticContact CZ-CD1 3.97Å; Y382-Y395 AromaticContact CZ-CE1 3.65Å; Y382-K426 WeakPolarHBondContact CE2-O 3.23Å; Y382-I427 PolarHBondContact OH-O 2.93Å; Y382-K428 HydrophobicContact CD1-CB 3.89Å; Y382-K428 HydrophobicContact CD1-CD 3.96Å; Y382-K428 HydrophobicContact CD1-CG 3.87Å; Y382-K428 HydrophobicContact CE1-CB 3.74Å; Y382-K428 HydrophobicContact CE1-CD 4.42Å; Y382-K428 HydrophobicContact CE1-CG 3.82Å; Y382-K428 HydrophobicContact CE2-CB 4.39Å; Y382-K428 HydrophobicContact CG-CB 4.28Å; Y382-K428 HydrophobicContact CG-CD 4.49Å
383	L	91.6	Very high	92.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.			trans	-78.1	154.1	166.5	-75.9	75.5	0	0	0	108.9	D219 F267 R269 T377 Q385 E386	D219-L383 WeakPolarHBondContact OD2-CD2 3.18Å; F267-L383 HydrophobicContact CB-CG 4.49Å; R269-L383 HydrophobicContact CG-CD1 4.33Å; T377-L383 HydrophobicContact CG2-CD1 4.3Å; T377-L383 HydrophobicContact CG2-CG 4.19Å; L383-Q385 VanDerWaalsContact C-N 3.28Å; L383-Q385 PolarHBondContact O-N 2.74Å; L383-Q385 VanDerWaalsContact O-N 3.16Å; L383-E386 HydrophobicContact CB-CG 4.41Å; L383-E386 PolarHBondContact N-OE2 3.12Å; L383-E386 WeakPolarHBondContact O-CB 3.39Å; L383-E386 PolarHBondContact O-N 3.25Å
384	P	92.6	Very high	92.6	Very high	35 Å²	35	31.7 Å²	31.7	23%	0.227	17%	0.166	C	C	.	.	H	α-helix	trans	-53.4	-41.6	-173.9	-29.7	37.6	0	0	0	114	V372 E386 L387 L388	V372-P384 HydrophobicContact CG1-CB 3.69Å; V372-P384 HydrophobicContact CG1-CG 4.18Å; P384-E386 PolarHBondContact O-N 2.94Å; P384-L387 PolarHBondContact O-N 3.21Å; P384-L388 HydrophobicContact CB-CD1 4.34Å; P384-L388 VanDerWaalsContact O-CG 3.29Å; P384-L388 WeakPolarHBondContact O-CG 3.39Å; P384-L388 PolarHBondContact O-N 3.16Å
385	Q	91.4	Very high	92.9	Very high	64 Å²	64	28.3 Å²	28.3	30%	0.299	15%	0.15	S	C	.	.	H	α-helix	trans	-67.4	1.7	176.5	69.1	-83.5	17.4	0	0	115.2	D219 L383	D219-Q385 PolarHBondContact OD1-NE2 2.82Å; L383-Q385 VanDerWaalsContact C-N 3.28Å; L383-Q385 PolarHBondContact O-N 2.74Å; L383-Q385 VanDerWaalsContact O-N 3.16Å
386	E	93.3	Very high	93.2	Very high	45 Å²	45	23.6 Å²	23.6	21%	0.21	13%	0.132	C	C	.	.	H	α-helix	trans	-106.6	-12.4	172.9	-54	-178.7	130.7	0	0	112.7	R269 Y382 L383 P384 Y395 K428	R269-E386 IonicContact CZ-OE1 3.85Å; R269-E386 IonicContact NH1-OE1 2.73Å; R269-E386 PolarHBondContact NH1-OE1 2.89Å; R269-E386 IonicContact NH1-OE2 2.66Å; R269-E386 IonicContact NH2-OE1 3.56Å; R269-E386 PolarHBondContact NH2-OE1 3.27Å; Y382-E386 HydrophobicContact CD1-CB 4.35Å; L383-E386 HydrophobicContact CB-CG 4.41Å; L383-E386 PolarHBondContact N-OE2 3.12Å; L383-E386 WeakPolarHBondContact O-CB 3.39Å; L383-E386 PolarHBondContact O-N 3.25Å; P384-E386 PolarHBondContact O-N 2.94Å; E386-Y395 PolarHBondContact O-OH 3.28Å; E386-K428 IonicContact OE1-NZ 2.64Å; E386-K428 WeakPolarHBondContact OE2-CE 3.24Å; E386-K428 IonicContact OE2-NZ 2.74Å; E386-K428 PolarHBondContact OE2-NZ 2.93Å
387	L	94.9	Very high	93.3	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-105.7	-37.5	174.2	-64.8	176.7	0	0	0	112	F369 V372 L380 Y382 P384 G389 T390 Y395	F369-L387 WeakPolarHBondContact CB-O 3.43Å; F369-L387 HydrophobicContact CD1-CB 4.49Å; F369-L387 HydrophobicContact CD2-CB 4.15Å; F369-L387 WeakPolarHBondContact CD2-O 3.26Å; F369-L387 HydrophobicContact CE2-CB 4.48Å; F369-L387 HydrophobicContact CE2-CD2 4.3Å; F369-L387 HydrophobicContact CG-CB 4.17Å; F369-L387 HydrophobicContact CZ-CD2 4.48Å; V372-L387 HydrophobicContact CG1-CD1 4.34Å; V372-L387 HydrophobicContact CG2-CD1 4.14Å; L380-L387 HydrophobicContact CD1-CD1 4.17Å; Y382-L387 HydrophobicContact CD2-CD2 3.74Å; Y382-L387 HydrophobicContact CD2-CG 4.41Å; Y382-L387 HydrophobicContact CE2-CD2 4.34Å; Y382-L387 HydrophobicContact CG-CD2 3.86Å; Y382-L387 HydrophobicContact CG-CG 4.22Å; P384-L387 PolarHBondContact O-N 3.21Å; L387-G389 PolarHBondContact O-N 3.18Å; L387-T390 PolarHBondContact O-N 3.47Å; L387-T390 VanDerWaalsContact O-N 3.08Å; L387-T390 PolarHBondContact O-OG1 3.12Å; L387-Y395 HydrophobicContact CD2-CD1 4.42Å; L387-Y395 HydrophobicContact CD2-CE1 3.65Å; L387-Y395 HydrophobicContact CD2-CE2 4.29Å
388	L	95.2	Very high	93.4	Very high	78 Å²	78	29.9 Å²	29.9	41%	0.408	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-58	128.5	-175.9	-70.9	168.8	0	0	0	111.8	V370 P384 T390	V370-L388 WeakPolarHBondContact O-CD2 3.34Å; P384-L388 HydrophobicContact CB-CD1 4.34Å; P384-L388 VanDerWaalsContact O-CG 3.29Å; P384-L388 WeakPolarHBondContact O-CG 3.39Å; P384-L388 PolarHBondContact O-N 3.16Å; L388-T390 VanDerWaalsContact C-N 3.31Å; L388-T390 PolarHBondContact O-N 2.84Å
389	G	94.1	Very high	93.6	Very high	48 Å²	48	34.6 Å²	34.6	50%	0.495	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-13.6	-177.5	0	0	0	0	0	116	K368 F369 L387	K368-G389 WeakPolarHBondContact CD-O 3.29Å; F369-G389 PolarHBondContact O-N 2.66Å; L387-G389 PolarHBondContact O-N 3.18Å
390	T	95.4	Very high	93.9	Very high	34 Å²	34	35.3 Å²	35.3	21%	0.209	19%	0.189	C	C	.	.	S	Bend	trans	-82.9	156.1	171.4	72.3	0	0	0	0	110.6	K368 F369 L387 L388 Y395	K368-T390 CarbonylContact C-O 3.48Å; K368-T390 WeakPolarHBondContact CA-O 3.14Å; F369-T390 WeakPolarHBondContact CD2-O 3.44Å; F369-T390 PolarHBondContact N-O 3.03Å; L387-T390 PolarHBondContact O-N 3.47Å; L387-T390 VanDerWaalsContact O-N 3.08Å; L387-T390 PolarHBondContact O-OG1 3.12Å; L388-T390 VanDerWaalsContact C-N 3.31Å; L388-T390 PolarHBondContact O-N 2.84Å; T390-Y395 VanDerWaalsContact OG1-CE2 3.27Å; T390-Y395 WeakPolarHBondContact OG1-CE2 3.4Å; T390-Y395 PolarHBondContact OG1-OH 2.92Å
391	S	95.4	Very high	94	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.021	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-87.4	137.5	179	-170.4	0	0	0	0	111.3	Y393 E394 Y395	S391-Y393 PolarHBondContact O-N 3.1Å; S391-Y393 VanDerWaalsContact O-N 3.09Å; S391-E394 WeakPolarHBondContact CB-OE1 3.19Å; S391-E394 PolarHBondContact N-OE1 2.84Å; S391-E394 WeakPolarHBondContact O-CB 3.36Å; S391-E394 PolarHBondContact O-N 2.87Å; S391-Y395 WeakPolarHBondContact O-CD2 3.49Å
392	F	95.2	Very high	94.2	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.018	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-59.9	-24.9	179.2	58.3	-124.6	0	0	0	113.5	H363 G367 F369 E394 Y395 F396 H408 W439	H363-F392 HydrophobicContact CB-CD1 4.33Å; H363-F392 HydrophobicContact CB-CE1 4.28Å; H363-F392 AromaticContact CE1-CD1 3.92Å; H363-F392 AromaticContact CG-CD1 3.89Å; H363-F392 AromaticContact ND1-CD1 3.54Å; G367-F392 WeakPolarHBondContact O-CD1 3.24Å; G367-F392 WeakPolarHBondContact O-CG 3.29Å; G367-F392 PolarHBondContact O-N 3.17Å; F369-F392 HydrophobicContact CE2-CB 4.04Å; F369-F392 HydrophobicContact CZ-CB 4.19Å; F392-E394 PolarHBondContact O-N 2.82Å; F392-Y395 PolarHBondContact O-N 3.08Å; F392-Y395 VanDerWaalsContact O-N 3.11Å; F392-F396 HydrophobicContact CB-CE1 4.25Å; F392-F396 HydrophobicContact CB-CZ 4.08Å; F392-F396 HydrophobicContact CD2-CD2 4.1Å; F392-F396 HydrophobicContact CD2-CE1 4.17Å; F392-F396 AromaticContact CD2-CE2 3.19Å; F392-F396 HydrophobicContact CD2-CE2 3.19Å; F392-F396 AromaticContact CD2-CZ 3.23Å; F392-F396 HydrophobicContact CD2-CZ 3.23Å; F392-F396 AromaticContact CE2-CE2 3.49Å; F392-F396 HydrophobicContact CE2-CE2 3.49Å; F392-F396 VanDerWaalsContact CE2-CE2 3.49Å; F392-F396 AromaticContact CE2-CZ 3.76Å; F392-F396 HydrophobicContact CE2-CZ 3.76Å; F392-F396 HydrophobicContact CG-CE2 4.24Å; F392-F396 AromaticContact CG-CZ 3.86Å; F392-F396 HydrophobicContact CG-CZ 3.86Å; F392-F396 WeakPolarHBondContact O-CD1 3.27Å; F392-F396 PolarHBondContact O-N 3.11Å; F392-H408 AromaticContact CZ-CD2 3.6Å; F392-H408 AromaticContact CZ-NE2 3.86Å; F392-W439 HydrophobicContact CE2-CH2 4.24Å; F392-W439 HydrophobicContact CZ-CH2 4.18Å
393	Y	95.8	Very high	94.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-63.8	-17	175	-69.4	-80.3	0	0	0	114.1	S391 Y395 F396 I401 A405 H408 A508 I511 G512 I515	S391-Y393 PolarHBondContact O-N 3.1Å; S391-Y393 VanDerWaalsContact O-N 3.09Å; Y393-Y395 PolarHBondContact O-N 2.94Å; Y393-F396 AromaticContact CD1-CD2 3.96Å; Y393-F396 HydrophobicContact CD1-CD2 3.96Å; Y393-F396 HydrophobicContact CD1-CE2 4.26Å; Y393-F396 HydrophobicContact CE1-CD2 4.37Å; Y393-F396 HydrophobicContact CE1-CE2 4.35Å; Y393-I401 HydrophobicContact CD1-CG2 4.29Å; Y393-A405 HydrophobicContact CE1-CB 4.27Å; Y393-A405 WeakPolarHBondContact OH-CA 3.41Å; Y393-H408 WeakPolarHBondContact OH-CB 3.46Å; Y393-H408 VanDerWaalsContact OH-CG 3.31Å; Y393-H408 PolarHBondContact OH-ND1 3.06Å; Y393-A508 VanDerWaalsContact CB-O 3.27Å; Y393-A508 WeakPolarHBondContact CB-O 3.44Å; Y393-A508 VanDerWaalsContact O-CB 3.26Å; Y393-A508 WeakPolarHBondContact O-CB 3.22Å; Y393-I511 HydrophobicContact CD1-CB 4.03Å; Y393-I511 HydrophobicContact CD1-CD1 4.27Å; Y393-I511 HydrophobicContact CD1-CG2 3.96Å; Y393-I511 HydrophobicContact CD2-CB 4.24Å; Y393-I511 HydrophobicContact CE1-CB 4.17Å; Y393-I511 HydrophobicContact CE1-CG2 3.61Å; Y393-I511 HydrophobicContact CE2-CB 4.39Å; Y393-I511 HydrophobicContact CE2-CG2 4.24Å; Y393-I511 HydrophobicContact CG-CB 4.07Å; Y393-I511 HydrophobicContact CG-CG2 4.41Å; Y393-G512 VanDerWaalsContact CE2-CA 3.41Å; Y393-I515 WeakPolarHBondContact OH-CD1 3.44Å
394	E	94.4	Very high	94.5	Very high	94 Å²	94	41.1 Å²	41.1	44%	0.439	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-74.6	-15.9	175.8	-62.7	172	-122	0	0	112.6	S391 F392 T504	S391-E394 WeakPolarHBondContact CB-OE1 3.19Å; S391-E394 PolarHBondContact N-OE1 2.84Å; S391-E394 WeakPolarHBondContact O-CB 3.36Å; S391-E394 PolarHBondContact O-N 2.87Å; F392-E394 PolarHBondContact O-N 2.82Å; E394-T504 WeakPolarHBondContact O-CG2 3.49Å
395	Y	95.5	Very high	94.7	Very high	20 Å²	20	39.9 Å²	39.9	8%	0.078	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-16.2	-176.3	-53.1	-97.4	0	0	0	113.1	F369 Y382 E386 L387 T390 S391 F392 Y393 F425 K426	F369-Y395 HydrophobicContact CE2-CD2 4.19Å; F369-Y395 HydrophobicContact CE2-CE2 4Å; Y382-Y395 HydrophobicContact CD2-CE1 4.39Å; Y382-Y395 HydrophobicContact CE1-CE1 4.23Å; Y382-Y395 AromaticContact CE2-CD1 3.84Å; Y382-Y395 HydrophobicContact CE2-CD1 3.84Å; Y382-Y395 AromaticContact CE2-CE1 3.74Å; Y382-Y395 HydrophobicContact CE2-CE1 3.74Å; Y382-Y395 AromaticContact CZ-CD1 3.97Å; Y382-Y395 AromaticContact CZ-CE1 3.65Å; E386-Y395 PolarHBondContact O-OH 3.28Å; L387-Y395 HydrophobicContact CD2-CD1 4.42Å; L387-Y395 HydrophobicContact CD2-CE1 3.65Å; L387-Y395 HydrophobicContact CD2-CE2 4.29Å; T390-Y395 VanDerWaalsContact OG1-CE2 3.27Å; T390-Y395 WeakPolarHBondContact OG1-CE2 3.4Å; T390-Y395 PolarHBondContact OG1-OH 2.92Å; S391-Y395 WeakPolarHBondContact O-CD2 3.49Å; F392-Y395 PolarHBondContact O-N 3.08Å; F392-Y395 VanDerWaalsContact O-N 3.11Å; Y393-Y395 PolarHBondContact O-N 2.94Å; Y395-F425 VanDerWaalsContact CB-CE2 3.45Å; Y395-F425 HydrophobicContact CD1-CE1 4.07Å; Y395-F425 AromaticContact CD1-CZ 3.94Å; Y395-F425 HydrophobicContact CD1-CZ 3.94Å; Y395-F425 HydrophobicContact CD2-CZ 4.2Å; Y395-F425 HydrophobicContact CG-CE1 4.08Å; Y395-F425 HydrophobicContact CG-CE2 4.08Å; Y395-F425 AromaticContact CG-CZ 3.58Å; Y395-F425 HydrophobicContact CG-CZ 3.58Å; Y395-K426 VanDerWaalsContact O-CB 3.29Å; Y395-K426 WeakPolarHBondContact O-CB 3.47Å; Y395-K426 PolarHBondContact O-N 3.07Å
396	F	95.8	Very high	94.8	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.013	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-71	143.3	176.7	-64.7	-15	0	0	0	111.7	F392 Y393 I401 L404 Y423 F425 W439	F392-F396 HydrophobicContact CB-CE1 4.25Å; F392-F396 HydrophobicContact CB-CZ 4.08Å; F392-F396 HydrophobicContact CD2-CD2 4.1Å; F392-F396 HydrophobicContact CD2-CE1 4.17Å; F392-F396 AromaticContact CD2-CE2 3.19Å; F392-F396 HydrophobicContact CD2-CE2 3.19Å; F392-F396 AromaticContact CD2-CZ 3.23Å; F392-F396 HydrophobicContact CD2-CZ 3.23Å; F392-F396 AromaticContact CE2-CE2 3.49Å; F392-F396 HydrophobicContact CE2-CE2 3.49Å; F392-F396 VanDerWaalsContact CE2-CE2 3.49Å; F392-F396 AromaticContact CE2-CZ 3.76Å; F392-F396 HydrophobicContact CE2-CZ 3.76Å; F392-F396 HydrophobicContact CG-CE2 4.24Å; F392-F396 AromaticContact CG-CZ 3.86Å; F392-F396 HydrophobicContact CG-CZ 3.86Å; F392-F396 WeakPolarHBondContact O-CD1 3.27Å; F392-F396 PolarHBondContact O-N 3.11Å; Y393-F396 AromaticContact CD1-CD2 3.96Å; Y393-F396 HydrophobicContact CD1-CD2 3.96Å; Y393-F396 HydrophobicContact CD1-CE2 4.26Å; Y393-F396 HydrophobicContact CE1-CD2 4.37Å; Y393-F396 HydrophobicContact CE1-CE2 4.35Å; F396-I401 HydrophobicContact CB-CG1 3.96Å; F396-L404 HydrophobicContact CB-CD1 4.24Å; F396-L404 HydrophobicContact CD1-CD1 3.96Å; F396-L404 HydrophobicContact CD2-CB 3.93Å; F396-L404 HydrophobicContact CD2-CD1 3.36Å; F396-L404 HydrophobicContact CD2-CG 4.28Å; F396-L404 HydrophobicContact CE1-CD1 4.09Å; F396-L404 HydrophobicContact CE2-CB 3.64Å; F396-L404 HydrophobicContact CE2-CD1 3.48Å; F396-L404 VanDerWaalsContact CE2-CD1 3.48Å; F396-L404 HydrophobicContact CE2-CG 4.1Å; F396-L404 HydrophobicContact CG-CD1 3.61Å; F396-L404 HydrophobicContact CZ-CB 4.46Å; F396-L404 HydrophobicContact CZ-CD1 3.86Å; F396-Y423 HydrophobicContact CD1-CD2 4.17Å; F396-Y423 AromaticContact CD1-CE2 3.95Å; F396-Y423 HydrophobicContact CD1-CE2 3.95Å; F396-Y423 HydrophobicContact CE1-CD2 4.23Å; F396-Y423 AromaticContact CE1-CE2 3.64Å; F396-Y423 HydrophobicContact CE1-CE2 3.64Å; F396-Y423 HydrophobicContact CZ-CE2 4.47Å; F396-F425 AromaticContact CD1-CD2 3.93Å; F396-F425 HydrophobicContact CD1-CD2 3.93Å; F396-F425 HydrophobicContact CD1-CE2 4.4Å; F396-F425 AromaticContact CE1-CD2 3.98Å; F396-F425 HydrophobicContact CE1-CD2 3.98Å; F396-F425 HydrophobicContact CE1-CE2 4.27Å; F396-W439 HydrophobicContact CE2-CH2 4.45Å; F396-W439 HydrophobicContact CZ-CH2 4.25Å; F396-W439 HydrophobicContact CZ-CZ2 4.14Å
397	H	94.8	Very high	95	Very high	30 Å²	30	38.2 Å²	38.2	14%	0.139	21%	0.212	C	C	.	.			trans	-67.5	143.9	168.7	-164.2	-96.9	0	0	0	110.9	D399 D400 I401 K424 F432 G503	H397-D399 VanDerWaalsContact C-N 3.25Å; H397-D399 IonicContact CE1-OD2 3.15Å; H397-D399 PolarHBondContact CE1-OD2 2.85Å; H397-D399 IonicContact ND1-OD2 3.51Å; H397-D399 PolarHBondContact ND1-OD2 3.21Å; H397-D399 PolarHBondContact O-N 3.45Å; H397-D399 VanDerWaalsContact O-N 3.16Å; H397-D400 PolarHBondContact O-N 3.09Å; H397-I401 PolarHBondContact O-N 2.97Å; H397-K424 HydrophobicContact CB-CB 3.6Å; H397-K424 HydrophobicContact CB-CD 4.26Å; H397-K424 PolarHBondContact N-O 3.39Å; H397-F432 HydrophobicContact CB-CD1 4.17Å; H397-F432 HydrophobicContact CB-CE1 3.88Å; H397-F432 AromaticContact CD2-CE1 3.78Å; H397-F432 AromaticContact CD2-CE2 3.95Å; H397-F432 AromaticContact CD2-CZ 3.64Å; H397-G503 CarbonylContact C-O 3.6Å; H397-G503 WeakPolarHBondContact CA-O 3.46Å; H397-G503 WeakPolarHBondContact NE2-CA 3.47Å
398	Q	93.5	Very high	95	Very high	104 Å²	104	38.2 Å²	38.2	49%	0.486	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-37.5	-169.3	176.8	169.1	-54.6	0	0	113.3	I401 G503 R505	Q398-I401 PolarHBondContact O-N 3.13Å; Q398-G503 WeakPolarHBondContact CB-O 3.24Å; Q398-G503 PolarHBondContact N-O 3.31Å; Q398-R505 HydrophobicContact CB-CB 4.41Å; Q398-R505 HydrophobicContact CG-CB 4.19Å
399	D	93.7	Very high	95	Very high	108 Å²	108	37.8 Å²	37.8	58%	0.578	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-37.7	-178.9	-42.4	-33.2	0	0	0	111.6	H397	H397-D399 VanDerWaalsContact C-N 3.25Å; H397-D399 IonicContact CE1-OD2 3.15Å; H397-D399 PolarHBondContact CE1-OD2 2.85Å; H397-D399 IonicContact ND1-OD2 3.51Å; H397-D399 PolarHBondContact ND1-OD2 3.21Å; H397-D399 PolarHBondContact O-N 3.45Å; H397-D399 VanDerWaalsContact O-N 3.16Å
400	D	94.7	Very high	94.9	Very high	32 Å²	32	38.9 Å²	38.9	17%	0.171	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.8	-176.8	-58.5	-43.7	0	0	0	112.6	H397 S402 H403 L404 K424	H397-D400 PolarHBondContact O-N 3.09Å; D400-S402 PolarHBondContact O-N 2.82Å; D400-S402 VanDerWaalsContact O-N 3.17Å; D400-H403 PolarHBondContact O-N 2.96Å; D400-H403 VanDerWaalsContact O-N 3.14Å; D400-L404 HydrophobicContact CB-CD1 3.83Å; D400-L404 HydrophobicContact CB-CG 4.45Å; D400-L404 WeakPolarHBondContact O-CG 3.47Å; D400-L404 PolarHBondContact O-N 2.99Å; D400-K424 PolarHBondContact OD2-N 3.32Å
401	I	94.4	Very high	94.9	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-53.6	-39.5	-176.4	-72.8	176.6	0	0	0	112	Y393 F396 H397 Q398 L404 A405 R505 A508 I511	Y393-I401 HydrophobicContact CD1-CG2 4.29Å; F396-I401 HydrophobicContact CB-CG1 3.96Å; H397-I401 PolarHBondContact O-N 2.97Å; Q398-I401 PolarHBondContact O-N 3.13Å; I401-L404 PolarHBondContact O-N 3.09Å; I401-A405 WeakPolarHBondContact O-CB 3.21Å; I401-A405 PolarHBondContact O-N 3.18Å; I401-R505 HydrophobicContact CD1-CB 3.76Å; I401-A508 HydrophobicContact CD1-CB 4.07Å; I401-I511 HydrophobicContact CG2-CD1 3.56Å
402	S	93.7	Very high	94.7	Very high	91 Å²	91	37.6 Å²	37.6	64%	0.636	19%	0.189	S	C	*	.	H	α-helix	trans	-65.8	-42	-178.1	-59.2	0	0	0	0	112.4	D400 E406	D400-S402 PolarHBondContact O-N 2.82Å; D400-S402 VanDerWaalsContact O-N 3.17Å; S402-E406 PolarHBondContact O-N 2.93Å
403	H	95.2	Very high	94.4	Very high	65 Å²	65	41.4 Å²	41.4	30%	0.301	21%	0.206	S	C	.	.	H	α-helix	trans	-68.6	-46.3	175.4	160.1	57.6	0	0	0	111.3	D400 A405 E406 C407 N421	D400-H403 PolarHBondContact O-N 2.96Å; D400-H403 VanDerWaalsContact O-N 3.14Å; H403-A405 VanDerWaalsContact C-N 3.34Å; H403-A405 PolarHBondContact O-N 3.43Å; H403-E406 PolarHBondContact O-N 2.69Å; H403-E406 VanDerWaalsContact O-N 3.1Å; H403-C407 PolarHBondContact NE2-SG 2.85Å; H403-C407 PolarHBondContact O-N 3.01Å; H403-N421 PolarHBondContact NE2-N 2.89Å
404	L	96	Very high	93.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70.5	-30.7	-176.4	-64.6	169.5	0	0	0	112.5	F396 D400 I401 E406 H408 T420 Y423 W439	F396-L404 HydrophobicContact CB-CD1 4.24Å; F396-L404 HydrophobicContact CD1-CD1 3.96Å; F396-L404 HydrophobicContact CD2-CB 3.93Å; F396-L404 HydrophobicContact CD2-CD1 3.36Å; F396-L404 HydrophobicContact CD2-CG 4.28Å; F396-L404 HydrophobicContact CE1-CD1 4.09Å; F396-L404 HydrophobicContact CE2-CB 3.64Å; F396-L404 HydrophobicContact CE2-CD1 3.48Å; F396-L404 VanDerWaalsContact CE2-CD1 3.48Å; F396-L404 HydrophobicContact CE2-CG 4.1Å; F396-L404 HydrophobicContact CG-CD1 3.61Å; F396-L404 HydrophobicContact CZ-CB 4.46Å; F396-L404 HydrophobicContact CZ-CD1 3.86Å; D400-L404 HydrophobicContact CB-CD1 3.83Å; D400-L404 HydrophobicContact CB-CG 4.45Å; D400-L404 WeakPolarHBondContact O-CG 3.47Å; D400-L404 PolarHBondContact O-N 2.99Å; I401-L404 PolarHBondContact O-N 3.09Å; L404-E406 VanDerWaalsContact C-N 3.29Å; L404-E406 PolarHBondContact O-N 3.47Å; L404-H408 WeakPolarHBondContact O-CB 3.26Å; L404-H408 PolarHBondContact O-N 3.11Å; L404-T420 HydrophobicContact CD2-CG2 3.81Å; L404-Y423 HydrophobicContact CD1-CD1 4.28Å; L404-Y423 HydrophobicContact CD1-CD2 3.78Å; L404-Y423 HydrophobicContact CD1-CE2 4.4Å; L404-Y423 HydrophobicContact CD1-CG 3.71Å; L404-Y423 HydrophobicContact CD2-CD1 3.74Å; L404-Y423 HydrophobicContact CD2-CE1 4.13Å; L404-Y423 HydrophobicContact CD2-CG 4.03Å; L404-Y423 HydrophobicContact CG-CG 4.43Å; L404-W439 HydrophobicContact CB-CH2 4.34Å; L404-W439 HydrophobicContact CD2-CH2 4.13Å; L404-W439 HydrophobicContact CD2-CZ2 4.41Å
405	A	95.6	Very high	93.2	Very high	9 Å²	9	51.4 Å²	51.4	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-37.1	169.1	0	0	0	0	0	112.2	Y393 I401 H403 H408 R409 I511 I515	Y393-A405 HydrophobicContact CE1-CB 4.27Å; Y393-A405 WeakPolarHBondContact OH-CA 3.41Å; I401-A405 WeakPolarHBondContact O-CB 3.21Å; I401-A405 PolarHBondContact O-N 3.18Å; H403-A405 VanDerWaalsContact C-N 3.34Å; H403-A405 PolarHBondContact O-N 3.43Å; A405-H408 WeakPolarHBondContact O-CB 3.26Å; A405-H408 PolarHBondContact O-N 2.92Å; A405-R409 PolarHBondContact O-N 3.09Å; A405-I511 HydrophobicContact CB-CG2 4.33Å; A405-I515 HydrophobicContact CB-CD1 3.92Å
406	E	94.9	Very high	92.8	Very high	72 Å²	72	57.9 Å²	57.9	34%	0.336	28%	0.276	S	S	.	.	H	α-helix	trans	-74.7	-42.7	178.6	-174.1	48.5	-146.8	0	0	111.8	S402 H403 L404 H408 R409 Q410	S402-E406 PolarHBondContact O-N 2.93Å; H403-E406 PolarHBondContact O-N 2.69Å; H403-E406 VanDerWaalsContact O-N 3.1Å; L404-E406 VanDerWaalsContact C-N 3.29Å; L404-E406 PolarHBondContact O-N 3.47Å; E406-H408 PolarHBondContact O-N 3.34Å; E406-R409 PolarHBondContact O-N 2.79Å; E406-R409 IonicContact OE2-CZ 3.24Å; E406-R409 IonicContact OE2-NH1 3.9Å; E406-R409 PolarHBondContact OE2-NH1 3.25Å; E406-Q410 VanDerWaalsContact O-CG 3.3Å; E406-Q410 WeakPolarHBondContact O-CG 3.48Å; E406-Q410 PolarHBondContact O-N 2.95Å; E406-Q410 PolarHBondContact OE1-NE2 2.81Å
407	C	95.9	Very high	92.7	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.02	31%	0.305	C	S	.	.	H	α-helix	trans	-57.4	-31.9	167.8	-69.2	0	0	0	0	112.6	H403 V411 I418 W439	H403-C407 PolarHBondContact NE2-SG 2.85Å; H403-C407 PolarHBondContact O-N 3.01Å; C407-V411 WeakPolarHBondContact O-CB 3.39Å; C407-V411 PolarHBondContact O-N 3.48Å; C407-I418 HydrophobicContact CB-CG2 4.48Å; C407-W439 HydrophobicContact CB-CE3 4.04Å; C407-W439 HydrophobicContact CB-CZ3 3.78Å
408	H	95.9	Very high	92.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-72.2	-39.6	177.6	-170.9	-126.4	0	0	0	112.8	I365 F392 Y393 L404 A405 E406 L412 W439 I453 I515	I365-H408 PolarHBondContact O-CE1 3.16Å; I365-H408 VanDerWaalsContact O-CE1 3.23Å; I365-H408 PolarHBondContact O-NE2 3.05Å; F392-H408 AromaticContact CZ-CD2 3.6Å; F392-H408 AromaticContact CZ-NE2 3.86Å; Y393-H408 WeakPolarHBondContact OH-CB 3.46Å; Y393-H408 VanDerWaalsContact OH-CG 3.31Å; Y393-H408 PolarHBondContact OH-ND1 3.06Å; L404-H408 WeakPolarHBondContact O-CB 3.26Å; L404-H408 PolarHBondContact O-N 3.11Å; A405-H408 WeakPolarHBondContact O-CB 3.26Å; A405-H408 PolarHBondContact O-N 2.92Å; E406-H408 PolarHBondContact O-N 3.34Å; H408-L412 WeakPolarHBondContact O-CG 3.45Å; H408-L412 PolarHBondContact O-N 3.34Å; H408-W439 HydrophobicContact CB-CZ3 4.13Å; H408-I453 VanDerWaalsContact CD2-CD1 3.47Å; H408-I453 WeakPolarHBondContact CD2-CD1 3.27Å; H408-I453 WeakPolarHBondContact NE2-CD1 3.41Å; H408-I515 HydrophobicContact CB-CD1 4.31Å; H408-I515 VanDerWaalsContact ND1-CG2 3.33Å; H408-I515 WeakPolarHBondContact ND1-CG2 3.22Å
409	R	94.6	Very high	92.8	Very high	70 Å²	70	63.5 Å²	63.5	26%	0.264	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-50.5	169.4	-71.6	-169.4	-168.7	91.7	7.3	110.9	A405 E406 V411 L412 Q413 I515 E518	A405-R409 PolarHBondContact O-N 3.09Å; E406-R409 PolarHBondContact O-N 2.79Å; E406-R409 IonicContact OE2-CZ 3.24Å; E406-R409 IonicContact OE2-NH1 3.9Å; E406-R409 PolarHBondContact OE2-NH1 3.25Å; R409-V411 VanDerWaalsContact C-N 3.35Å; R409-V411 PolarHBondContact O-N 3.46Å; R409-L412 PolarHBondContact O-N 2.91Å; R409-Q413 WeakPolarHBondContact O-CG 3.35Å; R409-Q413 PolarHBondContact O-N 2.96Å; R409-I515 HydrophobicContact CG-CG1 4.38Å; R409-I515 HydrophobicContact CG-CG2 3.86Å; R409-E518 IonicContact CZ-OE2 3.88Å; R409-E518 IonicContact NE-OE1 2.81Å; R409-E518 PolarHBondContact NE-OE1 3.48Å; R409-E518 IonicContact NE-OE2 2.72Å; R409-E518 PolarHBondContact NE-OE2 3.03Å; R409-E518 IonicContact NH2-OE2 2.78Å
410	Q	93.5	Very high	92.8	Very high	71 Å²	71	58.6 Å²	58.6	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-41.1	-174.9	-66.9	172.9	10.2	0	0	111.5	E406 L412 Q413 M414 I418	E406-Q410 VanDerWaalsContact O-CG 3.3Å; E406-Q410 WeakPolarHBondContact O-CG 3.48Å; E406-Q410 PolarHBondContact O-N 2.95Å; E406-Q410 PolarHBondContact OE1-NE2 2.81Å; Q410-L412 VanDerWaalsContact C-N 3.25Å; Q410-L412 PolarHBondContact O-N 2.88Å; Q410-Q413 PolarHBondContact O-N 2.96Å; Q410-Q413 VanDerWaalsContact O-N 3.08Å; Q410-M414 WeakPolarHBondContact O-CB 3.28Å; Q410-M414 VanDerWaalsContact O-CG 3.31Å; Q410-M414 WeakPolarHBondContact O-CG 3.15Å; Q410-M414 PolarHBondContact O-N 2.92Å; Q410-I418 VanDerWaalsContact C-CD1 3.47Å; Q410-I418 HydrophobicContact CB-CD1 3.37Å
411	V	94.3	Very high	92.8	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-71.5	-17.4	-179.3	81.1	0	0	0	0	114	C407 R409 I418 W439 F440 S441 I453	C407-V411 WeakPolarHBondContact O-CB 3.39Å; C407-V411 PolarHBondContact O-N 3.48Å; R409-V411 VanDerWaalsContact C-N 3.35Å; R409-V411 PolarHBondContact O-N 3.46Å; V411-I418 HydrophobicContact CB-CD1 4.02Å; V411-W439 HydrophobicContact CB-CB 4.39Å; V411-W439 HydrophobicContact CG1-CE3 4.23Å; V411-W439 HydrophobicContact CG2-CB 3.84Å; V411-F440 VanDerWaalsContact CG2-CA 3.43Å; V411-S441 WeakPolarHBondContact O-CB 3.3Å; V411-S441 PolarHBondContact O-OG 3.34Å; V411-I453 HydrophobicContact CG1-CD1 3.87Å; V411-I453 HydrophobicContact CG1-CG1 4.27Å; V411-I453 HydrophobicContact CG1-CG2 4.13Å; V411-I453 HydrophobicContact CG2-CG2 4.41Å
412	L	92.2	Very high	92.8	Very high	10 Å²	10	64.5 Å²	64.5	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-90.5	-11.4	171.9	-66.9	173.4	0	0	0	113.1	I365 H408 R409 Q410 V450 I453 I515 V519 Q523	I365-L412 HydrophobicContact CB-CD2 4.2Å; I365-L412 HydrophobicContact CG2-CD2 3.92Å; H408-L412 WeakPolarHBondContact O-CG 3.45Å; H408-L412 PolarHBondContact O-N 3.34Å; R409-L412 PolarHBondContact O-N 2.91Å; Q410-L412 VanDerWaalsContact C-N 3.25Å; Q410-L412 PolarHBondContact O-N 2.88Å; L412-V450 HydrophobicContact CD2-CG1 4.25Å; L412-I453 HydrophobicContact CD2-CD1 3.92Å; L412-I453 HydrophobicContact CD2-CG1 4.01Å; L412-I453 HydrophobicContact CG-CD1 4.24Å; L412-I515 HydrophobicContact CD1-CG2 4.21Å; L412-V519 HydrophobicContact CB-CB 4.46Å; L412-V519 HydrophobicContact CB-CG1 3.93Å; L412-V519 HydrophobicContact CB-CG2 4.33Å; L412-Q523 PolarHBondContact O-NE2 3.21Å
413	Q	88.9	Confident	92.9	Very high	84 Å²	84	60.4 Å²	60.4	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-104.4	-32.5	178.3	-67.2	178.4	26.3	0	0	113	R409 Q410 V519	R409-Q413 WeakPolarHBondContact O-CG 3.35Å; R409-Q413 PolarHBondContact O-N 2.96Å; Q410-Q413 PolarHBondContact O-N 2.96Å; Q410-Q413 VanDerWaalsContact O-N 3.08Å; Q413-V519 HydrophobicContact CG-CG1 4.21Å; Q413-V519 HydrophobicContact CG-CG2 4.37Å
414	M	85.1	Confident	92.8	Very high	96 Å²	96	61.8 Å²	61.8	47%	0.473	29%	0.289	S	S	.	.			trans	-107.3	140.9	-173.6	-49.5	-51.3	168.4	0	0	111	Q410 E416	Q410-M414 WeakPolarHBondContact O-CB 3.28Å; Q410-M414 VanDerWaalsContact O-CG 3.31Å; Q410-M414 WeakPolarHBondContact O-CG 3.15Å; Q410-M414 PolarHBondContact O-N 2.92Å; M414-E416 VanDerWaalsContact C-N 3.29Å; M414-E416 PolarHBondContact O-N 2.87Å
415	R	79.6	Confident	92.8	Very high	207 Å²	207	62 Å²	62	78%	0.781	29%	0.29	S	S	*	.	S	Bend	trans	-83.6	-0.5	180	-66.9	-177.1	172.7	-178.8	-2.8	114.3
416	E	87.5	Confident	92.7	Very high	156 Å²	156	62.6 Å²	62.6	73%	0.729	29%	0.291	S	S	*	.	S	Bend	trans	-94.5	170.3	-174.7	-63.8	-169.1	178.9	0	0	113	M414 I418	M414-E416 VanDerWaalsContact C-N 3.29Å; M414-E416 PolarHBondContact O-N 2.87Å; E416-I418 PolarHBondContact O-N 2.79Å
417	K	92.6	Very high	92.7	Very high	144 Å²	144	59.9 Å²	59.9	63%	0.626	28%	0.278	S	S	*	.			trans	-87.5	107.9	-180	-68.4	171	-177.1	171.7	0	109.9	R438 W439 F440	K417-R438 HydrophobicContact CB-CG 4.26Å; K417-W439 CarbonylContact C-O 3.5Å; K417-W439 WeakPolarHBondContact CA-O 3.45Å; K417-F440 HydrophobicContact CG-CB 3.99Å; K417-F440 HydrophobicContact CG-CD1 4.18Å; K417-F440 HydrophobicContact CG-CG 4.26Å
418	I	94.8	Very high	92.4	Very high	25 Å²	25	62.9 Å²	62.9	13%	0.128	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	135.3	177.7	-57.1	-171.6	0	0	0	109.1	C407 Q410 V411 E416 R438 W439	C407-I418 HydrophobicContact CB-CG2 4.48Å; Q410-I418 VanDerWaalsContact C-CD1 3.47Å; Q410-I418 HydrophobicContact CB-CD1 3.37Å; V411-I418 HydrophobicContact CB-CD1 4.02Å; E416-I418 PolarHBondContact O-N 2.79Å; I418-R438 CarbonylContact O-C 3.54Å; I418-R438 VanDerWaalsContact O-CA 3.32Å; I418-R438 WeakPolarHBondContact O-CA 3.02Å; I418-W439 PolarHBondContact N-O 2.87Å; I418-W439 PolarHBondContact O-N 2.84Å
419	N	95.1	Very high	91.9	Very high	86 Å²	86	68.2 Å²	68.2	46%	0.46	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.2	166.8	-53.2	-65.6	0	0	0	108.5	S437 R438	N419-S437 CarbonylContact C-O 3.57Å; N419-S437 WeakPolarHBondContact CA-O 3.09Å; N419-R438 PolarHBondContact OD1-NE 2.87Å; N419-R438 PolarHBondContact OD1-NH2 2.84Å
420	T	95.1	Very high	91.5	Very high	5 Å²	5	66 Å²	66	3%	0.031	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-74.6	164.3	169.3	70	0	0	0	0	110.3	L404 Y423 R436 S437 W439	L404-T420 HydrophobicContact CD2-CG2 3.81Å; T420-Y423 HydrophobicContact CG2-CE1 4.34Å; T420-Y423 WeakPolarHBondContact OG1-CE1 3.35Å; T420-R436 WeakPolarHBondContact O-CG 3.47Å; T420-S437 PolarHBondContact N-O 2.91Å; T420-S437 PolarHBondContact OG1-N 3.32Å; T420-S437 PolarHBondContact OG1-O 3.12Å; T420-W439 HydrophobicContact CG2-CD2 4.17Å; T420-W439 HydrophobicContact CG2-CE3 4.46Å; T420-W439 HydrophobicContact CG2-CH2 4.37Å; T420-W439 HydrophobicContact CG2-CZ2 4.05Å
421	N	94	Very high	91.4	Very high	103 Å²	103	65.1 Å²	65.1	55%	0.551	32%	0.32	S	S	*	.			trans	-66.5	175.5	156.4	-65.4	-33.3	0	0	0	109.9	H403	H403-N421 PolarHBondContact NE2-N 2.89Å
422	C	94.5	Very high	91.2	Very high	58 Å²	58	67.9 Å²	67.9	39%	0.392	33%	0.332	S	S	.	.			trans	-67.1	135.4	166.1	-62.8	0	0	0	0	109.7	T434 L435	C422-T434 HydrophobicContact CB-CG2 3.8Å; C422-L435 CarbonylContact C-O 3.59Å; C422-L435 VanDerWaalsContact CA-O 3.31Å; C422-L435 WeakPolarHBondContact CA-O 3.27Å
423	Y	95.1	Very high	91.2	Very high	5 Å²	5	68.9 Å²	68.9	2%	0.02	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158.4	179.9	65.7	-91.4	0	0	0	111.5	F396 L404 T420 F425 T434 L435 S437	F396-Y423 HydrophobicContact CD1-CD2 4.17Å; F396-Y423 AromaticContact CD1-CE2 3.95Å; F396-Y423 HydrophobicContact CD1-CE2 3.95Å; F396-Y423 HydrophobicContact CE1-CD2 4.23Å; F396-Y423 AromaticContact CE1-CE2 3.64Å; F396-Y423 HydrophobicContact CE1-CE2 3.64Å; F396-Y423 HydrophobicContact CZ-CE2 4.47Å; L404-Y423 HydrophobicContact CD1-CD1 4.28Å; L404-Y423 HydrophobicContact CD1-CD2 3.78Å; L404-Y423 HydrophobicContact CD1-CE2 4.4Å; L404-Y423 HydrophobicContact CD1-CG 3.71Å; L404-Y423 HydrophobicContact CD2-CD1 3.74Å; L404-Y423 HydrophobicContact CD2-CE1 4.13Å; L404-Y423 HydrophobicContact CD2-CG 4.03Å; L404-Y423 HydrophobicContact CG-CG 4.43Å; T420-Y423 HydrophobicContact CG2-CE1 4.34Å; T420-Y423 WeakPolarHBondContact OG1-CE1 3.35Å; Y423-F425 HydrophobicContact CD2-CB 4.5Å; Y423-F425 HydrophobicContact CE2-CB 4.13Å; Y423-F425 HydrophobicContact CE2-CD2 4.18Å; Y423-T434 WeakPolarHBondContact O-CA 3.48Å; Y423-L435 WeakPolarHBondContact CD1-O 3.27Å; Y423-L435 HydrophobicContact CE1-CB 4.18Å; Y423-L435 HydrophobicContact CE2-CB 4.01Å; Y423-L435 HydrophobicContact CE2-CD1 4.29Å; Y423-L435 PolarHBondContact N-O 3.18Å; Y423-L435 PolarHBondContact O-N 3.44Å; Y423-S437 PolarHBondContact OH-OG 2.97Å
424	K	94.6	Very high	91.4	Very high	94 Å²	94	66.5 Å²	66.5	41%	0.409	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.6	179.3	-71.4	170.1	-174.8	169.9	0	110.8	H397 D400 F432 I433	H397-K424 HydrophobicContact CB-CB 3.6Å; H397-K424 HydrophobicContact CB-CD 4.26Å; H397-K424 PolarHBondContact N-O 3.39Å; D400-K424 PolarHBondContact OD2-N 3.32Å; K424-F432 HydrophobicContact CB-CB 4.12Å; K424-F432 HydrophobicContact CB-CD1 3.96Å; K424-F432 HydrophobicContact CB-CG 4.35Å; K424-I433 WeakPolarHBondContact CA-O 3.44Å
425	F	95.2	Very high	91.9	Very high	3 Å²	3	62 Å²	62	1%	0.013	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.5	175.8	-170.1	-81.2	0	0	0	110.6	F369 L380 Y395 F396 Y423 F432 I433 L435	F369-F425 HydrophobicContact CZ-CE2 4.36Å; F369-F425 HydrophobicContact CZ-CZ 4.16Å; L380-F425 HydrophobicContact CD1-CE1 3.84Å; L380-F425 HydrophobicContact CD1-CZ 4.28Å; L380-F425 HydrophobicContact CD2-CD1 3.78Å; L380-F425 HydrophobicContact CD2-CE1 3.91Å; L380-F425 HydrophobicContact CG-CE1 4.4Å; Y395-F425 VanDerWaalsContact CB-CE2 3.45Å; Y395-F425 HydrophobicContact CD1-CE1 4.07Å; Y395-F425 AromaticContact CD1-CZ 3.94Å; Y395-F425 HydrophobicContact CD1-CZ 3.94Å; Y395-F425 HydrophobicContact CD2-CZ 4.2Å; Y395-F425 HydrophobicContact CG-CE1 4.08Å; Y395-F425 HydrophobicContact CG-CE2 4.08Å; Y395-F425 AromaticContact CG-CZ 3.58Å; Y395-F425 HydrophobicContact CG-CZ 3.58Å; F396-F425 AromaticContact CD1-CD2 3.93Å; F396-F425 HydrophobicContact CD1-CD2 3.93Å; F396-F425 HydrophobicContact CD1-CE2 4.4Å; F396-F425 AromaticContact CE1-CD2 3.98Å; F396-F425 HydrophobicContact CE1-CD2 3.98Å; F396-F425 HydrophobicContact CE1-CE2 4.27Å; Y423-F425 HydrophobicContact CD2-CB 4.5Å; Y423-F425 HydrophobicContact CE2-CB 4.13Å; Y423-F425 HydrophobicContact CE2-CD2 4.18Å; F425-F432 WeakPolarHBondContact O-CA 3.41Å; F425-I433 PolarHBondContact N-O 3.05Å; F425-I433 PolarHBondContact O-N 3.29Å; F425-L435 HydrophobicContact CB-CD1 3.56Å; F425-L435 HydrophobicContact CB-CG 4.01Å; F425-L435 HydrophobicContact CD1-CD1 4.44Å; F425-L435 HydrophobicContact CD2-CD1 4.21Å; F425-L435 HydrophobicContact CG-CD1 3.83Å
426	K	94.1	Very high	92.7	Very high	22 Å²	22	57.7 Å²	57.7	10%	0.096	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	124.5	-178	-166.7	168.1	-170.5	164.9	0	111.4	Y382 Y395 S431 F432 P501 T504	Y382-K426 WeakPolarHBondContact CE2-O 3.23Å; Y395-K426 VanDerWaalsContact O-CB 3.29Å; Y395-K426 WeakPolarHBondContact O-CB 3.47Å; Y395-K426 PolarHBondContact O-N 3.07Å; K426-S431 CarbonylContact C-O 3.54Å; K426-S431 VanDerWaalsContact CA-O 3.3Å; K426-S431 WeakPolarHBondContact CA-O 3.43Å; K426-F432 HydrophobicContact CB-CD1 3.94Å; K426-F432 HydrophobicContact CB-CE1 3.67Å; K426-F432 HydrophobicContact CB-CZ 4.16Å; K426-F432 HydrophobicContact CD-CE1 4.34Å; K426-F432 HydrophobicContact CD-CZ 4.02Å; K426-F432 HydrophobicContact CG-CE1 4.22Å; K426-F432 HydrophobicContact CG-CZ 4.21Å; K426-P501 PolarHBondContact NZ-O 3.04Å; K426-T504 HydrophobicContact CD-CG2 3.5Å; K426-T504 PolarHBondContact NZ-OG1 3.17Å
427	I	93.3	Very high	93.1	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.077	26%	0.256	C	S	.	.			trans	-96	172.7	173.5	69.8	170.2	0	0	0	110.9	L380 Y382 D429 G430 S431 I433	L380-I427 HydrophobicContact CB-CG2 4.46Å; L380-I427 HydrophobicContact CD2-CG2 4.1Å; Y382-I427 PolarHBondContact OH-O 2.93Å; I427-D429 VanDerWaalsContact C-N 3.31Å; I427-D429 WeakPolarHBondContact CG1-OD1 3.1Å; I427-D429 PolarHBondContact O-N 3.16Å; I427-G430 WeakPolarHBondContact O-CA 3.49Å; I427-G430 PolarHBondContact O-N 3.32Å; I427-S431 WeakPolarHBondContact CD1-OG 3.39Å; I427-S431 VanDerWaalsContact CG1-OG 3.31Å; I427-S431 WeakPolarHBondContact CG1-OG 3.44Å; I427-S431 PolarHBondContact N-O 3.3Å; I427-I433 HydrophobicContact CD1-CG2 4.22Å; I427-I433 HydrophobicContact CG2-CB 4.45Å; I427-I433 HydrophobicContact CG2-CD1 3.88Å; I427-I433 HydrophobicContact CG2-CG1 3.82Å; I427-I433 HydrophobicContact CG2-CG2 3.91Å
428	K	90	Very high	93.3	Very high	67 Å²	67	49.6 Å²	49.6	29%	0.291	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.9	-166.1	-169.5	168.8	174.9	169.5	0	116.8	L380 A381 Y382 E386 G430	L380-K428 PolarHBondContact O-N 3.05Å; A381-K428 VanDerWaalsContact C-CD 3.46Å; A381-K428 HydrophobicContact CB-CB 3.69Å; A381-K428 HydrophobicContact CB-CD 4.11Å; A381-K428 WeakPolarHBondContact O-CD 3.44Å; A381-K428 PolarHBondContact O-NZ 2.99Å; Y382-K428 HydrophobicContact CD1-CB 3.89Å; Y382-K428 HydrophobicContact CD1-CD 3.96Å; Y382-K428 HydrophobicContact CD1-CG 3.87Å; Y382-K428 HydrophobicContact CE1-CB 3.74Å; Y382-K428 HydrophobicContact CE1-CD 4.42Å; Y382-K428 HydrophobicContact CE1-CG 3.82Å; Y382-K428 HydrophobicContact CE2-CB 4.39Å; Y382-K428 HydrophobicContact CG-CB 4.28Å; Y382-K428 HydrophobicContact CG-CD 4.49Å; E386-K428 IonicContact OE1-NZ 2.64Å; E386-K428 WeakPolarHBondContact OE2-CE 3.24Å; E386-K428 IonicContact OE2-NZ 2.74Å; E386-K428 PolarHBondContact OE2-NZ 2.93Å; K428-G430 VanDerWaalsContact C-N 3.26Å
429	D	85.8	Confident	93.4	Very high	112 Å²	112	48.6 Å²	48.6	60%	0.599	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.4	173.8	59.7	22.8	0	0	0	113.1	I427 S431	I427-D429 VanDerWaalsContact C-N 3.31Å; I427-D429 WeakPolarHBondContact CG1-OD1 3.1Å; I427-D429 PolarHBondContact O-N 3.16Å; D429-S431 WeakPolarHBondContact OD1-CB 3.31Å; D429-S431 PolarHBondContact OD1-N 3.26Å; D429-S431 PolarHBondContact OD1-OG 2.64Å
430	G	86.7	Confident	93.4	Very high	22 Å²	22	47.2 Å²	47.2	23%	0.227	23%	0.234	C	C	.	.	S	Bend	trans	102.5	-6.5	-178.6	0	0	0	0	0	114.7	I427 K428	I427-G430 WeakPolarHBondContact O-CA 3.49Å; I427-G430 PolarHBondContact O-N 3.32Å; K428-G430 VanDerWaalsContact C-N 3.26Å
431	S	90.2	Very high	93.4	Very high	54 Å²	54	47.8 Å²	47.8	38%	0.378	24%	0.238	S	C	.	.			trans	-74.7	174.4	170.8	73.4	0	0	0	0	111.9	K426 I427 D429	K426-S431 CarbonylContact C-O 3.54Å; K426-S431 VanDerWaalsContact CA-O 3.3Å; K426-S431 WeakPolarHBondContact CA-O 3.43Å; I427-S431 WeakPolarHBondContact CD1-OG 3.39Å; I427-S431 VanDerWaalsContact CG1-OG 3.31Å; I427-S431 WeakPolarHBondContact CG1-OG 3.44Å; I427-S431 PolarHBondContact N-O 3.3Å; D429-S431 WeakPolarHBondContact OD1-CB 3.31Å; D429-S431 PolarHBondContact OD1-N 3.26Å; D429-S431 PolarHBondContact OD1-OG 2.64Å
432	F	90.8	Very high	93.4	Very high	58 Å²	58	46 Å²	46	25%	0.254	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.7	-178.3	-68.1	-95.9	0	0	0	111.3	H397 K424 F425 K426 T504	H397-F432 HydrophobicContact CB-CD1 4.17Å; H397-F432 HydrophobicContact CB-CE1 3.88Å; H397-F432 AromaticContact CD2-CE1 3.78Å; H397-F432 AromaticContact CD2-CE2 3.95Å; H397-F432 AromaticContact CD2-CZ 3.64Å; K424-F432 HydrophobicContact CB-CB 4.12Å; K424-F432 HydrophobicContact CB-CD1 3.96Å; K424-F432 HydrophobicContact CB-CG 4.35Å; F425-F432 WeakPolarHBondContact O-CA 3.41Å; K426-F432 HydrophobicContact CB-CD1 3.94Å; K426-F432 HydrophobicContact CB-CE1 3.67Å; K426-F432 HydrophobicContact CB-CZ 4.16Å; K426-F432 HydrophobicContact CD-CE1 4.34Å; K426-F432 HydrophobicContact CD-CZ 4.02Å; K426-F432 HydrophobicContact CG-CE1 4.22Å; K426-F432 HydrophobicContact CG-CZ 4.21Å; F432-T504 HydrophobicContact CE1-CG2 4.37Å; F432-T504 HydrophobicContact CZ-CG2 4.17Å
433	I	92.3	Very high	93.2	Very high	30 Å²	30	46.2 Å²	46.2	15%	0.154	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	151.3	168.2	65.4	173.2	0	0	0	110.3	I379 L380 K424 F425 I427 L435	I379-I433 HydrophobicContact CG2-CD1 3.78Å; L380-I433 HydrophobicContact CD2-CD1 3.75Å; K424-I433 WeakPolarHBondContact CA-O 3.44Å; F425-I433 PolarHBondContact N-O 3.05Å; F425-I433 PolarHBondContact O-N 3.29Å; I427-I433 HydrophobicContact CD1-CG2 4.22Å; I427-I433 HydrophobicContact CG2-CB 4.45Å; I427-I433 HydrophobicContact CG2-CD1 3.88Å; I427-I433 HydrophobicContact CG2-CG1 3.82Å; I427-I433 HydrophobicContact CG2-CG2 3.91Å; I433-L435 HydrophobicContact CD1-CD2 3.75Å; I433-L435 HydrophobicContact CD1-CG 4.26Å; I433-L435 HydrophobicContact CG1-CD2 4.15Å; I433-L435 HydrophobicContact CG1-CG 4.21Å
434	T	93.9	Very high	93	Very high	35 Å²	35	47.3 Å²	47.3	22%	0.215	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.9	173.1	-52.7	0	0	0	0	110.2	C422 Y423 V460	C422-T434 HydrophobicContact CB-CG2 3.8Å; Y423-T434 WeakPolarHBondContact O-CA 3.48Å; T434-V460 HydrophobicContact CG2-CB 4.21Å; T434-V460 PolarHBondContact O-N 2.88Å
435	L	95.1	Very high	92.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	156	172.9	-62.8	-176.1	0	0	0	110.4	Y359 C422 Y423 F425 I433 T458 V459	Y359-L435 HydrophobicContact CE1-CD1 4.08Å; Y359-L435 HydrophobicContact CE1-CD2 4.4Å; Y359-L435 VanDerWaalsContact OH-CD1 3.28Å; Y359-L435 WeakPolarHBondContact OH-CD1 3.3Å; C422-L435 CarbonylContact C-O 3.59Å; C422-L435 VanDerWaalsContact CA-O 3.31Å; C422-L435 WeakPolarHBondContact CA-O 3.27Å; Y423-L435 WeakPolarHBondContact CD1-O 3.27Å; Y423-L435 HydrophobicContact CE1-CB 4.18Å; Y423-L435 HydrophobicContact CE2-CB 4.01Å; Y423-L435 HydrophobicContact CE2-CD1 4.29Å; Y423-L435 PolarHBondContact N-O 3.18Å; Y423-L435 PolarHBondContact O-N 3.44Å; F425-L435 HydrophobicContact CB-CD1 3.56Å; F425-L435 HydrophobicContact CB-CG 4.01Å; F425-L435 HydrophobicContact CD1-CD1 4.44Å; F425-L435 HydrophobicContact CD2-CD1 4.21Å; F425-L435 HydrophobicContact CG-CD1 3.83Å; I433-L435 HydrophobicContact CD1-CD2 3.75Å; I433-L435 HydrophobicContact CD1-CG 4.26Å; I433-L435 HydrophobicContact CG1-CD2 4.15Å; I433-L435 HydrophobicContact CG1-CG 4.21Å; L435-T458 WeakPolarHBondContact CA-O 3.24Å; L435-V459 HydrophobicContact CD2-CB 4.42Å; L435-V459 HydrophobicContact CD2-CG2 3.91Å
436	R	95.5	Very high	92.8	Very high	117 Å²	117	55.9 Å²	55.9	44%	0.442	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.6	162.6	179.7	-180	60.2	-144.6	-7	107.6	T420 T458 V460	T420-R436 WeakPolarHBondContact O-CG 3.47Å; R436-T458 PolarHBondContact N-O 2.86Å; R436-T458 WeakPolarHBondContact O-CB 3.48Å; R436-T458 PolarHBondContact O-N 2.87Å; R436-V460 HydrophobicContact CB-CG2 3.74Å
437	S	96.6	Very high	92.7	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.5	-167.9	-63.7	0	0	0	0	112.7	N419 T420 Y423 T456 N457	N419-S437 CarbonylContact C-O 3.57Å; N419-S437 WeakPolarHBondContact CA-O 3.09Å; T420-S437 PolarHBondContact N-O 2.91Å; T420-S437 PolarHBondContact OG1-N 3.32Å; T420-S437 PolarHBondContact OG1-O 3.12Å; Y423-S437 PolarHBondContact OH-OG 2.97Å; S437-T456 CarbonylContact C-O 3.57Å; S437-T456 VanDerWaalsContact CA-O 3.28Å; S437-T456 WeakPolarHBondContact CA-O 3.44Å; S437-N457 WeakPolarHBondContact OG-CA 3.5Å; S437-N457 PolarHBondContact OG-OD1 3.22Å
438	R	96.6	Very high	92.4	Very high	127 Å²	127	64.7 Å²	64.7	48%	0.479	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.2	174.3	-179.5	176.4	-65.4	139.4	3.9	109.2	K417 I418 N419 S455 T456	K417-R438 HydrophobicContact CB-CG 4.26Å; I418-R438 CarbonylContact O-C 3.54Å; I418-R438 VanDerWaalsContact O-CA 3.32Å; I418-R438 WeakPolarHBondContact O-CA 3.02Å; N419-R438 PolarHBondContact OD1-NE 2.87Å; N419-R438 PolarHBondContact OD1-NH2 2.84Å; R438-S455 WeakPolarHBondContact O-CA 3.5Å; R438-T456 PolarHBondContact N-O 2.88Å; R438-T456 PolarHBondContact O-N 2.91Å
439	W	96.8	Very high	92.4	Very high	4 Å²	4	68 Å²	68	2%	0.015	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.3	-176.2	-59.7	-11.4	0	0	0	111.2	F392 F396 L404 C407 H408 V411 K417 I418 T420 I453 V454 S455	F392-W439 HydrophobicContact CE2-CH2 4.24Å; F392-W439 HydrophobicContact CZ-CH2 4.18Å; F396-W439 HydrophobicContact CE2-CH2 4.45Å; F396-W439 HydrophobicContact CZ-CH2 4.25Å; F396-W439 HydrophobicContact CZ-CZ2 4.14Å; L404-W439 HydrophobicContact CB-CH2 4.34Å; L404-W439 HydrophobicContact CD2-CH2 4.13Å; L404-W439 HydrophobicContact CD2-CZ2 4.41Å; C407-W439 HydrophobicContact CB-CE3 4.04Å; C407-W439 HydrophobicContact CB-CZ3 3.78Å; H408-W439 HydrophobicContact CB-CZ3 4.13Å; V411-W439 HydrophobicContact CB-CB 4.39Å; V411-W439 HydrophobicContact CG1-CE3 4.23Å; V411-W439 HydrophobicContact CG2-CB 3.84Å; K417-W439 CarbonylContact C-O 3.5Å; K417-W439 WeakPolarHBondContact CA-O 3.45Å; I418-W439 PolarHBondContact N-O 2.87Å; I418-W439 PolarHBondContact O-N 2.84Å; T420-W439 HydrophobicContact CG2-CD2 4.17Å; T420-W439 HydrophobicContact CG2-CE3 4.46Å; T420-W439 HydrophobicContact CG2-CH2 4.37Å; T420-W439 HydrophobicContact CG2-CZ2 4.05Å; W439-I453 HydrophobicContact CB-CG2 4.13Å; W439-V454 VanDerWaalsContact CA-O 3.32Å; W439-V454 WeakPolarHBondContact CA-O 3.38Å; W439-S455 VanDerWaalsContact CD1-CB 3.48Å; W439-S455 PolarHBondContact NE1-OG 2.84Å
440	F	95.9	Very high	92.6	Very high	58 Å²	58	64.1 Å²	64.1	25%	0.254	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145.7	163.4	63.9	-83.6	0	0	0	110.9	V411 K417 I453 V454	V411-F440 VanDerWaalsContact CG2-CA 3.43Å; K417-F440 HydrophobicContact CG-CB 3.99Å; K417-F440 HydrophobicContact CG-CD1 4.18Å; K417-F440 HydrophobicContact CG-CG 4.26Å; F440-I453 WeakPolarHBondContact O-CA 3.28Å; F440-V454 HydrophobicContact CD1-CB 4.13Å; F440-V454 HydrophobicContact CD2-CB 4.5Å; F440-V454 HydrophobicContact CE1-CB 3.64Å; F440-V454 HydrophobicContact CE1-CG1 3.76Å; F440-V454 HydrophobicContact CE1-CG2 4.39Å; F440-V454 HydrophobicContact CE2-CB 4.05Å; F440-V454 HydrophobicContact CE2-CG2 3.96Å; F440-V454 HydrophobicContact CZ-CB 3.6Å; F440-V454 HydrophobicContact CZ-CG1 3.83Å; F440-V454 HydrophobicContact CZ-CG2 3.83Å; F440-V454 PolarHBondContact N-O 3.04Å; F440-V454 VanDerWaalsContact N-O 3.07Å; F440-V454 PolarHBondContact O-N 2.9Å
441	S	94.7	Very high	92.8	Very high	17 Å²	17	67.8 Å²	67.8	12%	0.119	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.5	169.6	59.7	0	0	0	0	110.1	V411 M443	V411-S441 WeakPolarHBondContact O-CB 3.3Å; V411-S441 PolarHBondContact O-OG 3.34Å; S441-M443 PolarHBondContact O-N 2.81Å
442	F	93.6	Very high	93	Very high	64 Å²	64	67.6 Å²	67.6	28%	0.281	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	113.2	162.9	-179.8	-101.2	0	0	0	108.9	E451 Y452 V454	F442-E451 HydrophobicContact CD1-CB 4.12Å; F442-E451 PolarHBondContact O-N 2.72Å; F442-Y452 HydrophobicContact CB-CD2 3.69Å; F442-Y452 HydrophobicContact CB-CE2 3.4Å; F442-Y452 VanDerWaalsContact CB-CE2 3.4Å; F442-Y452 HydrophobicContact CD1-CD2 4.44Å; F442-Y452 AromaticContact CD1-CE1 3.96Å; F442-Y452 HydrophobicContact CD1-CE1 3.96Å; F442-Y452 AromaticContact CD1-CE2 3.74Å; F442-Y452 HydrophobicContact CD1-CE2 3.74Å; F442-Y452 AromaticContact CD1-CZ 3.45Å; F442-Y452 VanDerWaalsContact CD1-CZ 3.45Å; F442-Y452 WeakPolarHBondContact CD1-OH 3.35Å; F442-Y452 HydrophobicContact CE1-CE1 4.5Å; F442-Y452 HydrophobicContact CG-CD2 4.37Å; F442-Y452 AromaticContact CG-CE2 3.66Å; F442-Y452 HydrophobicContact CG-CE2 3.66Å; F442-Y452 AromaticContact CG-CZ 3.84Å; F442-Y452 PolarHBondContact N-O 3.44Å; F442-V454 HydrophobicContact CB-CG2 4.35Å
443	M	90.9	Very high	93.3	Very high	64 Å²	64	64.9 Å²	64.9	32%	0.315	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.5	172.6	179.3	172.4	-77.8	0	0	108.9	S441 P445 K448 E449 V450	S441-M443 PolarHBondContact O-N 2.81Å; M443-P445 WeakPolarHBondContact O-CD 3.45Å; M443-K448 WeakPolarHBondContact CE-O 3.49Å; M443-K448 WeakPolarHBondContact CG-O 3.45Å; M443-E449 CarbonylContact C-O 3.58Å; M443-E449 VanDerWaalsContact CA-O 3.32Å; M443-E449 WeakPolarHBondContact CA-O 3.39Å; M443-V450 HydrophobicContact CE-CG2 4.36Å
444	N	91.4	Very high	93.5	Very high	27 Å²	27	64.4 Å²	64.4	14%	0.144	30%	0.297	C	S	.	.			trans	-63.3	123.5	-179.8	-177.6	-69.3	0	0	0	109.9	W446 T447 K448 E449 E451	N444-W446 PolarHBondContact O-N 2.85Å; N444-W446 VanDerWaalsContact O-N 3.11Å; N444-W446 PolarHBondContact OD1-N 2.93Å; N444-T447 WeakPolarHBondContact CB-OG1 3.37Å; N444-T447 PolarHBondContact OD1-N 3.33Å; N444-K448 WeakPolarHBondContact O-CA 3.36Å; N444-K448 PolarHBondContact O-N 3.5Å; N444-E449 PolarHBondContact N-O 2.76Å; N444-E451 PolarHBondContact ND2-OE2 3.02Å
445	P	91.6	Very high	93.6	Very high	65 Å²	65	62.7 Å²	62.7	42%	0.422	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.6	-175.9	-27.9	35.5	0	0	0	115.1	M443 K448	M443-P445 WeakPolarHBondContact O-CD 3.45Å; P445-K448 WeakPolarHBondContact O-CE 3.31Å; P445-K448 PolarHBondContact O-NZ 3.17Å
446	W	92.9	Very high	93.7	Very high	212 Å²	212	64.4 Å²	64.4	80%	0.803	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-53.5	-177	-59.9	-92.1	0	0	0	112	N444	N444-W446 PolarHBondContact O-N 2.85Å; N444-W446 VanDerWaalsContact O-N 3.11Å; N444-W446 PolarHBondContact OD1-N 2.93Å
447	T	92.9	Very high	93.7	Very high	82 Å²	82	59 Å²	59	50%	0.503	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-20.2	-178.3	72.1	0	0	0	0	113.7	N444 E449	N444-T447 WeakPolarHBondContact CB-OG1 3.37Å; N444-T447 PolarHBondContact OD1-N 3.33Å; T447-E449 PolarHBondContact O-N 3.14Å; T447-E449 PolarHBondContact OG1-N 2.95Å
448	K	87.2	Confident	93.6	Very high	141 Å²	141	59.9 Å²	59.9	61%	0.613	28%	0.282	S	S	*	.			trans	64.4	9.3	-171.9	-45.2	-55.4	-175.5	-172.6	0	115	M443 N444 P445	M443-K448 WeakPolarHBondContact CE-O 3.49Å; M443-K448 WeakPolarHBondContact CG-O 3.45Å; N444-K448 WeakPolarHBondContact O-CA 3.36Å; N444-K448 PolarHBondContact O-N 3.5Å; P445-K448 WeakPolarHBondContact O-CE 3.31Å; P445-K448 PolarHBondContact O-NZ 3.17Å
449	E	88.8	Confident	93.4	Very high	135 Å²	135	54.6 Å²	54.6	63%	0.631	26%	0.264	S	S	*	.	S	Bend	trans	-89.3	160.3	175.7	-61	-177.7	136.1	0	0	111.8	M443 N444 T447 E451	M443-E449 CarbonylContact C-O 3.58Å; M443-E449 VanDerWaalsContact CA-O 3.32Å; M443-E449 WeakPolarHBondContact CA-O 3.39Å; N444-E449 PolarHBondContact N-O 2.76Å; T447-E449 PolarHBondContact O-N 3.14Å; T447-E449 PolarHBondContact OG1-N 2.95Å; E449-E451 PolarHBondContact O-N 3.18Å
450	V	90.3	Very high	93	Very high	31 Å²	31	55.9 Å²	55.9	19%	0.188	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	111.7	173.4	176.4	0	0	0	0	109.2	I365 L412 M443	I365-V450 HydrophobicContact CG2-CB 4.32Å; I365-V450 HydrophobicContact CG2-CG1 3.96Å; L412-V450 HydrophobicContact CD2-CG1 4.25Å; M443-V450 HydrophobicContact CE-CG2 4.36Å
451	E	90.6	Very high	92.1	Very high	100 Å²	100	56 Å²	56	47%	0.467	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-39.6	-175.8	-158.9	-178.3	127.2	0	0	111.6	F442 N444 E449	F442-E451 HydrophobicContact CD1-CB 4.12Å; F442-E451 PolarHBondContact O-N 2.72Å; N444-E451 PolarHBondContact ND2-OE2 3.02Å; E449-E451 PolarHBondContact O-N 3.18Å
452	Y	94.8	Very high	90.4	Very high	49 Å²	49	59 Å²	59	19%	0.192	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	156.1	175.2	44.5	-100.6	0	0	0	112.3	R362 H363 F442 V454	R362-Y452 HydrophobicContact CB-CD2 4.24Å; R362-Y452 HydrophobicContact CB-CG 4.35Å; R362-Y452 HydrophobicContact CG-CD2 4.21Å; R362-Y452 HydrophobicContact CG-CE2 4.48Å; H363-Y452 CarbonylContact O-C 3.6Å; H363-Y452 WeakPolarHBondContact O-CA 3.45Å; H363-Y452 VanDerWaalsContact O-CB 3.24Å; H363-Y452 WeakPolarHBondContact O-CB 3.41Å; F442-Y452 HydrophobicContact CB-CD2 3.69Å; F442-Y452 HydrophobicContact CB-CE2 3.4Å; F442-Y452 VanDerWaalsContact CB-CE2 3.4Å; F442-Y452 HydrophobicContact CD1-CD2 4.44Å; F442-Y452 AromaticContact CD1-CE1 3.96Å; F442-Y452 HydrophobicContact CD1-CE1 3.96Å; F442-Y452 AromaticContact CD1-CE2 3.74Å; F442-Y452 HydrophobicContact CD1-CE2 3.74Å; F442-Y452 AromaticContact CD1-CZ 3.45Å; F442-Y452 VanDerWaalsContact CD1-CZ 3.45Å; F442-Y452 WeakPolarHBondContact CD1-OH 3.35Å; F442-Y452 HydrophobicContact CE1-CE1 4.5Å; F442-Y452 HydrophobicContact CG-CD2 4.37Å; F442-Y452 AromaticContact CG-CE2 3.66Å; F442-Y452 HydrophobicContact CG-CE2 3.66Å; F442-Y452 AromaticContact CG-CZ 3.84Å; F442-Y452 PolarHBondContact N-O 3.44Å; Y452-V454 HydrophobicContact CD2-CG2 3.62Å; Y452-V454 HydrophobicContact CE2-CG2 3.59Å
453	I	96.4	Very high	88.2	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.3	164.1	-55.4	167.2	0	0	0	108	R362 H363 H408 V411 L412 W439 F440	R362-I453 CarbonylContact C-O 3.51Å; R362-I453 VanDerWaalsContact CA-O 3.3Å; R362-I453 WeakPolarHBondContact CA-O 3.49Å; H363-I453 HydrophobicContact CB-CB 4.45Å; H363-I453 PolarHBondContact N-O 2.82Å; H363-I453 PolarHBondContact O-N 2.99Å; H408-I453 VanDerWaalsContact CD2-CD1 3.47Å; H408-I453 WeakPolarHBondContact CD2-CD1 3.27Å; H408-I453 WeakPolarHBondContact NE2-CD1 3.41Å; V411-I453 HydrophobicContact CG1-CD1 3.87Å; V411-I453 HydrophobicContact CG1-CG1 4.27Å; V411-I453 HydrophobicContact CG1-CG2 4.13Å; V411-I453 HydrophobicContact CG2-CG2 4.41Å; L412-I453 HydrophobicContact CD2-CD1 3.92Å; L412-I453 HydrophobicContact CD2-CG1 4.01Å; L412-I453 HydrophobicContact CG-CD1 4.24Å; W439-I453 HydrophobicContact CB-CG2 4.13Å; F440-I453 WeakPolarHBondContact O-CA 3.28Å
454	V	96.6	Very high	85.7	Confident	20 Å²	20	65.4 Å²	65.4	12%	0.121	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.2	170.6	-176.5	0	0	0	0	108.9	V360 R362 W439 F440 F442 Y452	V360-V454 HydrophobicContact CG1-CG1 4.38Å; R362-V454 HydrophobicContact CG-CG2 4.37Å; W439-V454 VanDerWaalsContact CA-O 3.32Å; W439-V454 WeakPolarHBondContact CA-O 3.38Å; F440-V454 HydrophobicContact CD1-CB 4.13Å; F440-V454 HydrophobicContact CD2-CB 4.5Å; F440-V454 HydrophobicContact CE1-CB 3.64Å; F440-V454 HydrophobicContact CE1-CG1 3.76Å; F440-V454 HydrophobicContact CE1-CG2 4.39Å; F440-V454 HydrophobicContact CE2-CB 4.05Å; F440-V454 HydrophobicContact CE2-CG2 3.96Å; F440-V454 HydrophobicContact CZ-CB 3.6Å; F440-V454 HydrophobicContact CZ-CG1 3.83Å; F440-V454 HydrophobicContact CZ-CG2 3.83Å; F440-V454 PolarHBondContact N-O 3.04Å; F440-V454 VanDerWaalsContact N-O 3.07Å; F440-V454 PolarHBondContact O-N 2.9Å; F442-V454 HydrophobicContact CB-CG2 4.35Å; Y452-V454 HydrophobicContact CD2-CG2 3.62Å; Y452-V454 HydrophobicContact CE2-CG2 3.59Å
455	S	97.1	Very high	83	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.4	171.8	-175.3	0	0	0	0	110.9	V360 S361 R438 W439 N457	V360-S455 WeakPolarHBondContact CA-O 3.19Å; S361-S455 PolarHBondContact N-O 3.01Å; S361-S455 PolarHBondContact O-N 2.82Å; R438-S455 WeakPolarHBondContact O-CA 3.5Å; W439-S455 VanDerWaalsContact CD1-CB 3.48Å; W439-S455 PolarHBondContact NE1-OG 2.84Å; S455-N457 PolarHBondContact O-ND2 3.12Å; S455-N457 VanDerWaalsContact OG-CG 3.24Å; S455-N457 PolarHBondContact OG-ND2 2.89Å; S455-N457 PolarHBondContact OG-OD1 3.14Å
456	T	96.7	Very high	80.3	Confident	36 Å²	36	77.1 Å²	77.1	22%	0.221	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.6	157.2	-60.5	0	0	0	0	107.5	S437 R438	S437-T456 CarbonylContact C-O 3.57Å; S437-T456 VanDerWaalsContact CA-O 3.28Å; S437-T456 WeakPolarHBondContact CA-O 3.44Å; R438-T456 PolarHBondContact N-O 2.88Å; R438-T456 PolarHBondContact O-N 2.91Å
457	N	96.1	Very high	77.3	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.021	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.5	-174.9	-42	-97.3	0	0	0	108.6	E358 Y359 S361 S437 S455	E358-N457 VanDerWaalsContact CA-O 3.28Å; E358-N457 WeakPolarHBondContact CA-O 3.48Å; Y359-N457 HydrophobicContact CD1-CB 3.98Å; Y359-N457 HydrophobicContact CD2-CB 4.3Å; Y359-N457 WeakPolarHBondContact CD2-ND2 3.31Å; Y359-N457 HydrophobicContact CE1-CB 3.51Å; Y359-N457 HydrophobicContact CE2-CB 3.86Å; Y359-N457 WeakPolarHBondContact CE2-ND2 3.36Å; Y359-N457 HydrophobicContact CG-CB 4.36Å; Y359-N457 VanDerWaalsContact CZ-CB 3.42Å; Y359-N457 VanDerWaalsContact CZ-CG 3.49Å; Y359-N457 PolarHBondContact N-O 3.08Å; Y359-N457 PolarHBondContact O-N 2.69Å; Y359-N457 PolarHBondContact O-ND2 2.82Å; S361-N457 PolarHBondContact OG-ND2 3.21Å; S437-N457 WeakPolarHBondContact OG-CA 3.5Å; S437-N457 PolarHBondContact OG-OD1 3.22Å; S455-N457 PolarHBondContact O-ND2 3.12Å; S455-N457 VanDerWaalsContact OG-CG 3.24Å; S455-N457 PolarHBondContact OG-ND2 2.89Å; S455-N457 PolarHBondContact OG-OD1 3.14Å
458	T	94.4	Very high	74.4	Confident	20 Å²	20	70.3 Å²	70.3	12%	0.123	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.4	-178.1	-48.2	0	0	0	0	109.6	P356 E358 L435 R436	P356-T458 HydrophobicContact CB-CG2 3.85Å; P356-T458 HydrophobicContact CG-CG2 4.23Å; E358-T458 HydrophobicContact CG-CG2 3.99Å; E358-T458 PolarHBondContact OE1-OG1 3.33Å; L435-T458 WeakPolarHBondContact CA-O 3.24Å; R436-T458 PolarHBondContact N-O 2.86Å; R436-T458 WeakPolarHBondContact O-CB 3.48Å; R436-T458 PolarHBondContact O-N 2.87Å
459	V	92.4	Very high	71.6	Confident	17 Å²	17	70.9 Å²	70.9	10%	0.103	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.6	172.6	-177.6	0	0	0	0	109.4	P345 T357 I379 L435	P345-V459 HydrophobicContact CB-CG1 4.35Å; P345-V459 HydrophobicContact CG-CG1 3.74Å; T357-V459 WeakPolarHBondContact O-CG2 3.46Å; T357-V459 PolarHBondContact O-N 2.87Å; I379-V459 HydrophobicContact CD1-CG2 4.42Å; I379-V459 HydrophobicContact CG2-CG2 3.53Å; L435-V459 HydrophobicContact CD2-CB 4.42Å; L435-V459 HydrophobicContact CD2-CG2 3.91Å
460	V	88.7	Confident	68.8	Low	30 Å²	30	75.5 Å²	75.5	18%	0.182	41%	0.412	C	S	.	.			trans	-120.7	108.7	180	-178.6	0	0	0	0	109.6	T434 R436 C462	T434-V460 HydrophobicContact CG2-CB 4.21Å; T434-V460 PolarHBondContact O-N 2.88Å; R436-V460 HydrophobicContact CB-CG2 3.74Å; V460-C462 PolarHBondContact O-N 3.09Å
461	S	77.3	Confident	66.1	Low	62 Å²	62	80.1 Å²	80.1	43%	0.434	44%	0.443	S	S	.	.			trans	-69.2	108.1	166.9	-53.7	0	0	0	0	109.1	P345 P463	P345-S461 WeakPolarHBondContact CB-OG 3.09Å; S461-P463 WeakPolarHBondContact O-CD 3.37Å
462	C	57.9	Low	63.4	Low	78 Å²	78	84.4 Å²	84.4	53%	0.527	46%	0.463	S	S	.	.			trans	-77.5	119	165	-66	0	0	0	0	108.1	V460 I464	V460-C462 PolarHBondContact O-N 3.09Å; C462-I464 PolarHBondContact O-N 2.94Å
463	P	48.1	Very low	60.2	Low	111 Å²	111	87.5 Å²	87.5	72%	0.721	49%	0.492	S	S	*	.			trans	-64	126.9	168.3	27.7	-32.5	0	0	0	108.6	S461 M465	S461-P463 WeakPolarHBondContact O-CD 3.37Å; P463-M465 VanDerWaalsContact C-N 3.32Å; P463-M465 PolarHBondContact O-N 3.06Å
464	I	38.8	Very low	57.1	Low	152 Å²	152	92.1 Å²	92.1	78%	0.779	53%	0.53	S	S	*	.			trans	-77.2	92.5	169.2	-57.2	177.1	0	0	0	106.2	C462 E466	C462-I464 PolarHBondContact O-N 2.94Å; I464-E466 HydrophobicContact CG2-CG 4.02Å; I464-E466 PolarHBondContact O-N 3.09Å
465	M	34.5	Very low	53.8	Low	156 Å²	156	96 Å²	96	77%	0.768	56%	0.564	S	S	*	*			trans	-80.6	93.5	173.1	-177.1	168.7	155.8	0	0	108.3	P463 G467	P463-M465 VanDerWaalsContact C-N 3.32Å; P463-M465 PolarHBondContact O-N 3.06Å; M465-G467 PolarHBondContact O-N 3.44Å
466	E	33.1	Very low	50.4	Low	182 Å²	182	101 Å²	101	85%	0.85	60%	0.599	S	S	*	*			trans	-72.6	110.5	172.4	-66.1	-165.4	139.4	0	0	110.3	I464	I464-E466 HydrophobicContact CG2-CG 4.02Å; I464-E466 PolarHBondContact O-N 3.09Å
467	G	31.5	Very low	47.5	Very low	51 Å²	51	105.3 Å²	105.3	53%	0.526	63%	0.628	S	S	.	*	S	Bend	trans	102.4	148.8	160	0	0	0	0	0	117.8	M465	M465-G467 PolarHBondContact O-N 3.44Å
468	S	31.2	Very low	44.2	Very low	100 Å²	100	114.2 Å²	114.2	70%	0.699	67%	0.67	S	S	*	*			trans	65.2	120.2	168.4	51.4	0	0	0	0	120.3
469	D	28.4	Very low	41.1	Very low	154 Å²	154	119.1 Å²	119.1	82%	0.824	71%	0.705	S	S	*	*			trans	63.9	109.2	139.7	-57.3	-4.9	0	0	0	121.9
470	Y	29.2	Very low	38.2	Very low	232 Å²	232	126.8 Å²	126.8	91%	0.91	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-80	131.5	162.9	-70.7	-93.2	0	0	0	112.1
471	P	35.3	Very low	35.3	Very low	128 Å²	128	132.9 Å²	132.9	83%	0.831	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-79.6	132.5	152.5	-13.8	30.8	0	0	0	110.5
472	Q	33.3	Very low	32.9	Very low	189 Å²	189	135.2 Å²	135.2	88%	0.883	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-100.3	119.9	-171.2	-169.3	177.7	14.8	0	0	112.7
473	S	27.6	Very low	31.5	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	80%	0.802	S	S	*	*			trans	-160.7	112.5	162.9	-80.6	0	0	0	0	108.3
474	A	30	Very low	30.6	Very low	97 Å²	97	140.6 Å²	140.6	80%	0.802	81%	0.81	S	S	*	*				76.2	120.3	80.4	0	0	0	0	0	112.3
475	A	28.7	Very low	30.1	Very low	102 Å²	102	140.1 Å²	140.1	84%	0.843	82%	0.815	S	S	*	*			cis	-153.7	157	-4.7	0	0	0	0	0	111.3
476	S	25.9	Very low	29.7	Very low	105 Å²	105	138 Å²	138	73%	0.734	82%	0.815	S	S	*	*			trans	-112	139.1	169	48.4	0	0	0	0	110.6
477	P	34.2	Very low	29.4	Very low	127 Å²	127	138 Å²	138	83%	0.825	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-69.2	149.7	176.7	29.2	-34.1	0	0	0	111.2
478	Q	28.4	Very low	29.1	Very low	191 Å²	191	139.7 Å²	139.7	89%	0.893	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-75.8	139.1	-168.1	-68.6	168.5	-34.7	0	0	112.8
479	S	28.2	Very low	28.8	Very low	123 Å²	123	138.9 Å²	138.9	86%	0.86	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-75.6	134.4	161	178.7	0	0	0	0	109.1
480	M	31.6	Very low	28.7	Very low	177 Å²	177	134.8 Å²	134.8	87%	0.872	83%	0.834	S	S	*	*			trans	-131.8	92	169.5	51.1	-176.3	174.7	0	0	109.5
481	D	28	Very low	28.6	Very low	158 Å²	158	135.5 Å²	135.5	85%	0.845	84%	0.835	S	S	*	*			trans	-156.4	124.7	139.6	-128.4	-22.8	0	0	0	110.7
482	S	26.9	Very low	28.3	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	84%	0.837	S	S	*	*			trans	-159.3	108	170	64.9	0	0	0	0	110.7
483	V	28.3	Very low	28.1	Very low	133 Å²	133	136 Å²	136	81%	0.806	83%	0.834	S	S	*	*			trans	177.8	115.5	142.9	145.2	0	0	0	0	107.8
484	L	29.2	Very low	28.3	Very low	169 Å²	169	138.5 Å²	138.5	89%	0.885	84%	0.837	S	S	*	*				174.9	105.1	129.7	-94	-177.2	0	0	0	108.6
485	T	28.7	Very low	28.1	Very low	142 Å²	142	142.7 Å²	142.7	87%	0.871	84%	0.84	S	S	*	*			trans	-104.8	125	174.6	48.9	0	0	0	0	110.6
486	S	25.7	Very low	28	Very low	112 Å²	112	144 Å²	144	78%	0.783	84%	0.838	S	S	*	*			trans	-166.6	165	139.1	-144.4	0	0	0	0	113.6
487	E	26.2	Very low	28.2	Very low	182 Å²	182	143.7 Å²	143.7	85%	0.85	83%	0.831	S	S	*	*			trans	66.2	91.6	155.8	-57.6	-106.3	105.9	0	0	119.4
488	G	25.8	Very low	28	Very low	87 Å²	87	143.8 Å²	143.8	90%	0.897	83%	0.832	S	S	*	*				69.3	84.5	112.8	0	0	0	0	0	120.3
489	G	24.9	Very low	28.5	Very low	82 Å²	82	138.4 Å²	138.4	85%	0.845	83%	0.827	S	S	*	*			trans	-162.5	110.8	165	0	0	0	0	0	113.4
490	G	25.6	Very low	29.2	Very low	68 Å²	68	137.4 Å²	137.4	70%	0.701	81%	0.812	S	S	*	*			trans	-98.1	163.3	-177.4	0	0	0	0	0	115
491	R	28.4	Very low	29.6	Very low	247 Å²	247	132.5 Å²	132.5	93%	0.932	79%	0.793	S	S	*	*			trans	77.3	144.1	179.5	-42.7	168	-169.4	-115.2	2	112.8
492	R	28.2	Very low	30.7	Very low	229 Å²	229	128 Å²	128	86%	0.864	78%	0.784	S	S	*	*			cis	-132.9	137.6	12.4	-62.7	168.7	-175.7	160.6	3.1	110.9
493	A	28.9	Very low	32.1	Very low	99 Å²	99	123.8 Å²	123.8	82%	0.818	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-66.7	133.3	154.7	0	0	0	0	0	108.6
494	L	32.5	Very low	34	Very low	167 Å²	167	118.8 Å²	118.8	87%	0.874	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-76	135.3	175.6	-77.4	166.6	0	0	0	110	T496	L494-T496 PolarHBondContact O-N 3.44Å
495	Q	26.3	Very low	36.2	Very low	185 Å²	185	117 Å²	117	86%	0.864	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-74.5	116.4	-173.8	-69	173.2	-45.8	0	0	111.4	V497	Q495-V497 PolarHBondContact O-N 3.23Å
496	T	26.6	Very low	38.2	Very low	131 Å²	131	114.4 Å²	114.4	80%	0.804	70%	0.702	S	S	*	*			trans	-67.1	110.2	163.7	-51.8	0	0	0	0	109.1	L494 P498	L494-T496 PolarHBondContact O-N 3.44Å; T496-P498 WeakPolarHBondContact O-CD 3.33Å
497	V	30.2	Very low	40.7	Very low	98 Å²	98	111.8 Å²	111.8	59%	0.594	69%	0.693	S	S	*	*			trans	-70.3	125.3	174.7	179.7	0	0	0	0	109.1	Q495 G499	Q495-V497 PolarHBondContact O-N 3.23Å; V497-G499 PolarHBondContact O-N 3.22Å
498	P	29.6	Very low	43.2	Very low	129 Å²	129	103.3 Å²	103.3	84%	0.838	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	125.4	179	-24.9	34.9	0	0	0	112.1	T496	T496-P498 WeakPolarHBondContact O-CD 3.33Å
499	G	38.6	Very low	45.8	Very low	77 Å²	77	100.4 Å²	100.4	79%	0.794	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	120	-3.9	172.6	0	0	0	0	0	116.5	V497	V497-G499 PolarHBondContact O-N 3.22Å
500	I	42.5	Very low	48.8	Very low	103 Å²	103	103.5 Å²	103.5	53%	0.528	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-94.9	120.7	172.4	-57	176.2	0	0	0	109.3	G502	I500-G502 PolarHBondContact O-N 2.8Å
501	P	41.4	Very low	51.9	Low	73 Å²	73	101.3 Å²	101.3	47%	0.474	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-63.6	129.4	170.2	-19.2	31.4	0	0	0	110.3	K426	K426-P501 PolarHBondContact NZ-O 3.04Å
502	G	49.7	Very low	54.9	Low	64 Å²	64	89.5 Å²	89.5	66%	0.66	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	156.3	-176	0	0	0	0	0	113.9	I500	I500-G502 PolarHBondContact O-N 2.8Å
503	G	57.6	Low	57.9	Low	22 Å²	22	85.1 Å²	85.1	23%	0.227	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	104	-24	175.9	0	0	0	0	0	115.6	H397 Q398	H397-G503 CarbonylContact C-O 3.6Å; H397-G503 WeakPolarHBondContact CA-O 3.46Å; H397-G503 WeakPolarHBondContact NE2-CA 3.47Å; Q398-G503 WeakPolarHBondContact CB-O 3.24Å; Q398-G503 PolarHBondContact N-O 3.31Å
504	T	67.8	Low	61	Low	28 Å²	28	85.6 Å²	85.6	17%	0.172	51%	0.511	C	S	.	.	S	Bend	trans	-99.1	122.1	175	40.5	0	0	0	0	112.3	E394 K426 F432 A506	E394-T504 WeakPolarHBondContact O-CG2 3.49Å; K426-T504 HydrophobicContact CD-CG2 3.5Å; K426-T504 PolarHBondContact NZ-OG1 3.17Å; F432-T504 HydrophobicContact CE1-CG2 4.37Å; F432-T504 HydrophobicContact CZ-CG2 4.17Å; T504-A506 PolarHBondContact O-N 2.94Å
505	R	75.1	Confident	63.8	Low	132 Å²	132	77.8 Å²	77.8	50%	0.498	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-68.9	122.9	-178.9	179.2	178.1	177.2	177.4	0.6	111.7	Q398 I401 G507 A508	Q398-R505 HydrophobicContact CB-CB 4.41Å; Q398-R505 HydrophobicContact CG-CB 4.19Å; I401-R505 HydrophobicContact CD1-CB 3.76Å; R505-G507 PolarHBondContact O-N 3.07Å; R505-A508 HydrophobicContact CB-CB 4.2Å; R505-A508 WeakPolarHBondContact O-CB 3.36Å; R505-A508 PolarHBondContact O-N 2.87Å
506	A	71.4	Confident	66.8	Low	88 Å²	88	69.4 Å²	69.4	73%	0.727	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	132.4	176.6	0	0	0	0	0	111.7	T504 A508	T504-A506 PolarHBondContact O-N 2.94Å; A506-A508 VanDerWaalsContact C-N 3.31Å; A506-A508 PolarHBondContact O-N 3.49Å
507	G	77.3	Confident	69.9	Low	57 Å²	57	68.5 Å²	68.5	59%	0.588	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	6	-179.3	0	0	0	0	0	115.8	R505 G509 K510	R505-G507 PolarHBondContact O-N 3.07Å; G507-G509 PolarHBondContact O-N 3.46Å; G507-G509 VanDerWaalsContact O-N 3.13Å; G507-K510 PolarHBondContact O-N 3.1Å; G507-K510 VanDerWaalsContact O-N 3.09Å
508	A	78.8	Confident	72.9	Confident	3 Å²	3	67.7 Å²	67.7	3%	0.025	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-57.9	-27	-176.6	0	0	0	0	0	114.5	Y393 I401 R505 A506 K510 I511	Y393-A508 VanDerWaalsContact CB-O 3.27Å; Y393-A508 WeakPolarHBondContact CB-O 3.44Å; Y393-A508 VanDerWaalsContact O-CB 3.26Å; Y393-A508 WeakPolarHBondContact O-CB 3.22Å; I401-A508 HydrophobicContact CD1-CB 4.07Å; R505-A508 HydrophobicContact CB-CB 4.2Å; R505-A508 WeakPolarHBondContact O-CB 3.36Å; R505-A508 PolarHBondContact O-N 2.87Å; A506-A508 VanDerWaalsContact C-N 3.31Å; A506-A508 PolarHBondContact O-N 3.49Å; A508-K510 PolarHBondContact O-N 2.86Å; A508-I511 HydrophobicContact CB-CD1 4.04Å; A508-I511 VanDerWaalsContact O-CB 3.27Å; A508-I511 WeakPolarHBondContact O-CB 3.15Å; A508-I511 VanDerWaalsContact O-CG1 3.24Å; A508-I511 WeakPolarHBondContact O-CG1 3.46Å; A508-I511 PolarHBondContact O-N 3.46Å
509	G	80.3	Confident	75.6	Confident	26 Å²	26	61.7 Å²	61.7	27%	0.268	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-61.3	-6.5	174.1	0	0	0	0	0	115.9	G507	G507-G509 PolarHBondContact O-N 3.46Å; G507-G509 VanDerWaalsContact O-N 3.13Å
510	K	89	Confident	77.9	Confident	148 Å²	148	62.4 Å²	62.4	64%	0.643	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-81	-20.7	167.8	-66	-173.7	178	-175	0	113.8	G507 A508 R513 M514	G507-K510 PolarHBondContact O-N 3.1Å; G507-K510 VanDerWaalsContact O-N 3.09Å; A508-K510 PolarHBondContact O-N 2.86Å; K510-R513 PolarHBondContact O-N 3.47Å; K510-M514 PolarHBondContact O-N 3.47Å; K510-M514 VanDerWaalsContact O-N 3.14Å
511	I	90.4	Very high	80.1	Confident	21 Å²	21	61.1 Å²	61.1	11%	0.108	35%	0.345	C	S	.	.	H	α-helix	trans	-63	-47.5	-171.9	-63.8	170.7	0	0	0	111.2	Y393 I401 A405 A508 R513 M514 I515	Y393-I511 HydrophobicContact CD1-CB 4.03Å; Y393-I511 HydrophobicContact CD1-CD1 4.27Å; Y393-I511 HydrophobicContact CD1-CG2 3.96Å; Y393-I511 HydrophobicContact CD2-CB 4.24Å; Y393-I511 HydrophobicContact CE1-CB 4.17Å; Y393-I511 HydrophobicContact CE1-CG2 3.61Å; Y393-I511 HydrophobicContact CE2-CB 4.39Å; Y393-I511 HydrophobicContact CE2-CG2 4.24Å; Y393-I511 HydrophobicContact CG-CB 4.07Å; Y393-I511 HydrophobicContact CG-CG2 4.41Å; I401-I511 HydrophobicContact CG2-CD1 3.56Å; A405-I511 HydrophobicContact CB-CG2 4.33Å; A508-I511 HydrophobicContact CB-CD1 4.04Å; A508-I511 VanDerWaalsContact O-CB 3.27Å; A508-I511 WeakPolarHBondContact O-CB 3.15Å; A508-I511 VanDerWaalsContact O-CG1 3.24Å; A508-I511 WeakPolarHBondContact O-CG1 3.46Å; A508-I511 PolarHBondContact O-N 3.46Å; I511-R513 VanDerWaalsContact C-N 3.28Å; I511-R513 PolarHBondContact O-N 3.02Å; I511-M514 HydrophobicContact CG1-CE 4.23Å; I511-M514 PolarHBondContact O-N 3.39Å; I511-I515 HydrophobicContact CG2-CD1 3.82Å; I511-I515 WeakPolarHBondContact O-CG1 3.32Å; I511-I515 PolarHBondContact O-N 2.84Å
512	G	90.5	Very high	82.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.3	-36.1	178	0	0	0	0	0	113.2	D366 Y393 I515 A516	D366-G512 WeakPolarHBondContact CA-O 3.41Å; D366-G512 CarbonylContact O-C 3.48Å; D366-G512 VanDerWaalsContact O-CA 3.3Å; D366-G512 WeakPolarHBondContact O-CA 3.33Å; Y393-G512 VanDerWaalsContact CE2-CA 3.41Å; G512-I515 PolarHBondContact O-N 2.98Å; G512-A516 WeakPolarHBondContact O-CB 3.25Å; G512-A516 PolarHBondContact O-N 2.79Å
513	R	91.9	Very high	83.7	Confident	137 Å²	137	62 Å²	62	52%	0.517	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-46.5	174.8	-166.7	-166.7	-59.5	-165.3	-0.8	112.3	D366 K510 I511 I515 A516 E517	D366-R513 HydrophobicContact CB-CB 4.32Å; K510-R513 PolarHBondContact O-N 3.47Å; I511-R513 VanDerWaalsContact C-N 3.28Å; I511-R513 PolarHBondContact O-N 3.02Å; R513-I515 PolarHBondContact O-N 2.84Å; R513-A516 WeakPolarHBondContact O-CB 3.33Å; R513-A516 PolarHBondContact O-N 2.99Å; R513-A516 VanDerWaalsContact O-N 3.09Å; R513-E517 WeakPolarHBondContact CD-OE1 3.18Å; R513-E517 HydrophobicContact CG-CG 4.34Å; R513-E517 VanDerWaalsContact CG-OE1 3.27Å; R513-E517 WeakPolarHBondContact CG-OE1 3.36Å; R513-E517 WeakPolarHBondContact O-CB 3.42Å; R513-E517 WeakPolarHBondContact O-CG 3.45Å; R513-E517 PolarHBondContact O-N 2.81Å
514	M	92.5	Very high	84.9	Confident	108 Å²	108	67.5 Å²	67.5	53%	0.532	34%	0.341	S	S	.	.	H	α-helix	trans	-60.1	-37.6	177.9	-65.4	-176.9	-61.3	0	0	111.4	K510 I511 E518	K510-M514 PolarHBondContact O-N 3.47Å; K510-M514 VanDerWaalsContact O-N 3.14Å; I511-M514 HydrophobicContact CG1-CE 4.23Å; I511-M514 PolarHBondContact O-N 3.39Å; M514-E518 WeakPolarHBondContact O-CB 3.41Å; M514-E518 PolarHBondContact O-N 3.4Å
515	I	91.8	Very high	85.6	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-68	-39.7	174.5	-67.9	164.2	0	0	0	111.8	Y393 A405 H408 R409 L412 I511 G512 R513 E518 V519	Y393-I515 WeakPolarHBondContact OH-CD1 3.44Å; A405-I515 HydrophobicContact CB-CD1 3.92Å; H408-I515 HydrophobicContact CB-CD1 4.31Å; H408-I515 VanDerWaalsContact ND1-CG2 3.33Å; H408-I515 WeakPolarHBondContact ND1-CG2 3.22Å; R409-I515 HydrophobicContact CG-CG1 4.38Å; R409-I515 HydrophobicContact CG-CG2 3.86Å; L412-I515 HydrophobicContact CD1-CG2 4.21Å; I511-I515 HydrophobicContact CG2-CD1 3.82Å; I511-I515 WeakPolarHBondContact O-CG1 3.32Å; I511-I515 PolarHBondContact O-N 2.84Å; G512-I515 PolarHBondContact O-N 2.98Å; R513-I515 PolarHBondContact O-N 2.84Å; I515-E518 PolarHBondContact O-N 3.48Å; I515-V519 HydrophobicContact CG2-CG2 4.38Å; I515-V519 WeakPolarHBondContact O-CB 3.32Å; I515-V519 WeakPolarHBondContact O-CG2 3.28Å; I515-V519 PolarHBondContact O-N 2.92Å
516	A	89.8	Confident	85.4	Confident	8 Å²	8	73.9 Å²	73.9	7%	0.066	37%	0.37	C	S	.	.	H	α-helix	trans	-63.1	-45.4	175	0	0	0	0	0	111.6	I365 D366 G512 R513 V519 M520	I365-A516 HydrophobicContact CB-CB 4.42Å; I365-A516 HydrophobicContact CD1-CB 4.27Å; I365-A516 HydrophobicContact CG1-CB 4.08Å; I365-A516 WeakPolarHBondContact O-CB 3.48Å; D366-A516 HydrophobicContact CB-CB 4.27Å; G512-A516 WeakPolarHBondContact O-CB 3.25Å; G512-A516 PolarHBondContact O-N 2.79Å; R513-A516 WeakPolarHBondContact O-CB 3.33Å; R513-A516 PolarHBondContact O-N 2.99Å; R513-A516 VanDerWaalsContact O-N 3.09Å; A516-V519 PolarHBondContact O-N 3.46Å; A516-M520 VanDerWaalsContact O-CB 3.25Å; A516-M520 WeakPolarHBondContact O-CB 3.49Å; A516-M520 WeakPolarHBondContact O-CG 3.48Å; A516-M520 PolarHBondContact O-N 2.99Å
517	E	92.5	Very high	84.9	Confident	113 Å²	113	73 Å²	73	53%	0.528	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-46.2	176.3	-70.5	163.5	177.4	0	0	110.8	R513 E521	R513-E517 WeakPolarHBondContact CD-OE1 3.18Å; R513-E517 HydrophobicContact CG-CG 4.34Å; R513-E517 VanDerWaalsContact CG-OE1 3.27Å; R513-E517 WeakPolarHBondContact CG-OE1 3.36Å; R513-E517 WeakPolarHBondContact O-CB 3.42Å; R513-E517 WeakPolarHBondContact O-CG 3.45Å; R513-E517 PolarHBondContact O-N 2.81Å; E517-E521 WeakPolarHBondContact O-CB 3.1Å; E517-E521 PolarHBondContact O-N 2.92Å
518	E	91.3	Very high	83.5	Confident	80 Å²	80	74.3 Å²	74.3	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-55.8	-51.7	174.2	178.5	-177.4	-168.8	0	0	112.3	R409 M514 I515 E521 I522	R409-E518 IonicContact CZ-OE2 3.88Å; R409-E518 IonicContact NE-OE1 2.81Å; R409-E518 PolarHBondContact NE-OE1 3.48Å; R409-E518 IonicContact NE-OE2 2.72Å; R409-E518 PolarHBondContact NE-OE2 3.03Å; R409-E518 IonicContact NH2-OE2 2.78Å; M514-E518 WeakPolarHBondContact O-CB 3.41Å; M514-E518 PolarHBondContact O-N 3.4Å; I515-E518 PolarHBondContact O-N 3.48Å; E518-E521 PolarHBondContact O-N 2.92Å; E518-I522 HydrophobicContact CG-CD1 4.19Å; E518-I522 WeakPolarHBondContact O-CG1 3.44Å; E518-I522 PolarHBondContact O-N 2.81Å; E518-I522 VanDerWaalsContact O-N 3.12Å
519	V	87.9	Confident	81.8	Confident	4 Å²	4	78.2 Å²	78.2	2%	0.024	40%	0.396	C	S	.	.	H	α-helix	trans	-72.6	-38.1	-176.8	176.3	0	0	0	0	112	L412 Q413 I515 A516 E521 I522 Q523	L412-V519 HydrophobicContact CB-CB 4.46Å; L412-V519 HydrophobicContact CB-CG1 3.93Å; L412-V519 HydrophobicContact CB-CG2 4.33Å; Q413-V519 HydrophobicContact CG-CG1 4.21Å; Q413-V519 HydrophobicContact CG-CG2 4.37Å; I515-V519 HydrophobicContact CG2-CG2 4.38Å; I515-V519 WeakPolarHBondContact O-CB 3.32Å; I515-V519 WeakPolarHBondContact O-CG2 3.28Å; I515-V519 PolarHBondContact O-N 2.92Å; A516-V519 PolarHBondContact O-N 3.46Å; V519-E521 VanDerWaalsContact C-N 3.28Å; V519-E521 PolarHBondContact O-N 2.82Å; V519-I522 PolarHBondContact O-N 2.99Å; V519-Q523 HydrophobicContact CG1-CG 4.31Å; V519-Q523 WeakPolarHBondContact O-CB 3.3Å; V519-Q523 VanDerWaalsContact O-CG 3.32Å; V519-Q523 WeakPolarHBondContact O-CG 3.47Å; V519-Q523 PolarHBondContact O-N 3.19Å
520	M	86	Confident	80.2	Confident	92 Å²	92	82.9 Å²	82.9	45%	0.453	42%	0.422	S	S	.	.	H	α-helix	trans	-64.3	-33.7	175.5	-71.2	-70.2	-73.7	0	0	111.9	I365 A516 R524	I365-M520 HydrophobicContact CD1-CG 4.26Å; I365-M520 HydrophobicContact CD1-SD 4.3Å; A516-M520 VanDerWaalsContact O-CB 3.25Å; A516-M520 WeakPolarHBondContact O-CB 3.49Å; A516-M520 WeakPolarHBondContact O-CG 3.48Å; A516-M520 PolarHBondContact O-N 2.99Å; M520-R524 WeakPolarHBondContact O-CB 3.48Å; M520-R524 PolarHBondContact O-N 3.27Å
521	E	88.4	Confident	77.9	Confident	75 Å²	75	81.6 Å²	81.6	35%	0.35	43%	0.432	S	S	.	.	H	α-helix	trans	-66.9	-48.2	172.9	-164.4	59.8	-124	0	0	111.5	E517 E518 V519 Q523 R524 I525	E517-E521 WeakPolarHBondContact O-CB 3.1Å; E517-E521 PolarHBondContact O-N 2.92Å; E518-E521 PolarHBondContact O-N 2.92Å; V519-E521 VanDerWaalsContact C-N 3.28Å; V519-E521 PolarHBondContact O-N 2.82Å; E521-Q523 VanDerWaalsContact C-N 3.29Å; E521-Q523 PolarHBondContact O-N 3.47Å; E521-R524 PolarHBondContact O-N 3.46Å; E521-R524 VanDerWaalsContact O-N 3.13Å; E521-R524 IonicContact OE1-CZ 2.73Å; E521-R524 IonicContact OE1-NH1 2.81Å; E521-R524 PolarHBondContact OE1-NH1 2.97Å; E521-R524 IonicContact OE1-NH2 3.15Å; E521-R524 IonicContact OE2-CZ 2.75Å; E521-R524 IonicContact OE2-NH1 2.69Å; E521-R524 PolarHBondContact OE2-NH1 3.29Å; E521-R524 IonicContact OE2-NH2 2.96Å; E521-R524 PolarHBondContact OE2-NH2 2.9Å; E521-I525 HydrophobicContact CG-CD1 4.02Å; E521-I525 WeakPolarHBondContact O-CG1 3.43Å; E521-I525 PolarHBondContact O-N 2.89Å
522	I	85.8	Confident	75.4	Confident	66 Å²	66	85.7 Å²	85.7	34%	0.338	46%	0.462	S	S	.	.	H	α-helix	trans	-58.7	-40.9	176.5	-67.3	164	0	0	0	111.3	E518 V519 R526	E518-I522 HydrophobicContact CG-CD1 4.19Å; E518-I522 WeakPolarHBondContact O-CG1 3.44Å; E518-I522 PolarHBondContact O-N 2.81Å; E518-I522 VanDerWaalsContact O-N 3.12Å; V519-I522 PolarHBondContact O-N 2.99Å; I522-R526 VanDerWaalsContact O-CB 3.31Å; I522-R526 WeakPolarHBondContact O-CB 3.35Å; I522-R526 PolarHBondContact O-N 3.31Å
523	Q	81	Confident	72.9	Confident	89 Å²	89	92.3 Å²	92.3	42%	0.416	51%	0.507	S	S	.	.	H	α-helix	trans	-66.3	-41.7	175.9	-72.1	179.4	10.6	0	0	111.9	L412 V519 E521 R526 G527	L412-Q523 PolarHBondContact O-NE2 3.21Å; V519-Q523 HydrophobicContact CG1-CG 4.31Å; V519-Q523 WeakPolarHBondContact O-CB 3.3Å; V519-Q523 VanDerWaalsContact O-CG 3.32Å; V519-Q523 WeakPolarHBondContact O-CG 3.47Å; V519-Q523 PolarHBondContact O-N 3.19Å; E521-Q523 VanDerWaalsContact C-N 3.29Å; E521-Q523 PolarHBondContact O-N 3.47Å; Q523-R526 PolarHBondContact O-N 3.4Å; Q523-G527 PolarHBondContact O-N 2.81Å
524	R	82.7	Confident	70	Confident	138 Å²	138	89.3 Å²	89.3	52%	0.521	52%	0.518	S	S	.	.	H	α-helix	trans	-63.9	-45.1	176.3	-159.2	-169.5	-44.3	122.4	17.6	111.9	M520 E521 G527 S528	M520-R524 WeakPolarHBondContact O-CB 3.48Å; M520-R524 PolarHBondContact O-N 3.27Å; E521-R524 PolarHBondContact O-N 3.46Å; E521-R524 VanDerWaalsContact O-N 3.13Å; E521-R524 IonicContact OE1-CZ 2.73Å; E521-R524 IonicContact OE1-NH1 2.81Å; E521-R524 PolarHBondContact OE1-NH1 2.97Å; E521-R524 IonicContact OE1-NH2 3.15Å; E521-R524 IonicContact OE2-CZ 2.75Å; E521-R524 IonicContact OE2-NH1 2.69Å; E521-R524 PolarHBondContact OE2-NH1 3.29Å; E521-R524 IonicContact OE2-NH2 2.96Å; E521-R524 PolarHBondContact OE2-NH2 2.9Å; R524-G527 PolarHBondContact O-N 2.72Å; R524-S528 VanDerWaalsContact O-CB 3.25Å; R524-S528 WeakPolarHBondContact O-CB 3.42Å; R524-S528 PolarHBondContact O-N 3.21Å; R524-S528 PolarHBondContact O-OG 3.28Å
525	I	82.3	Confident	67.4	Low	109 Å²	109	89.8 Å²	89.8	56%	0.559	53%	0.532	S	S	*	.	H	α-helix	trans	-62.4	-45.8	177.3	-67.3	167.8	0	0	0	110.4	E521 G527 S528	E521-I525 HydrophobicContact CG-CD1 4.02Å; E521-I525 WeakPolarHBondContact O-CG1 3.43Å; E521-I525 PolarHBondContact O-N 2.89Å; I525-G527 PolarHBondContact O-N 2.78Å; I525-S528 CarbonylContact O-C 3.4Å; I525-S528 PolarHBondContact O-N 2.83Å
526	R	72.6	Confident	64.5	Low	186 Å²	186	95.2 Å²	95.2	70%	0.702	57%	0.571	S	S	*	*	H	α-helix	trans	-64.1	-40.4	178.1	-171.1	176.9	-67.3	-177.1	0.4	112.3	I522 Q523 S528 S529	I522-R526 VanDerWaalsContact O-CB 3.31Å; I522-R526 WeakPolarHBondContact O-CB 3.35Å; I522-R526 PolarHBondContact O-N 3.31Å; Q523-R526 PolarHBondContact O-N 3.4Å; R526-S528 PolarHBondContact O-N 2.98Å; R526-S529 PolarHBondContact O-OG 2.98Å
527	G	59.6	Low	62.5	Low	70 Å²	70	100.1 Å²	100.1	72%	0.722	60%	0.602	S	S	*	*	H	α-helix	trans	-67.2	-21.9	172.5	0	0	0	0	0	113.9	Q523 R524 I525 S529	Q523-G527 PolarHBondContact O-N 2.81Å; R524-G527 PolarHBondContact O-N 2.72Å; I525-G527 PolarHBondContact O-N 2.78Å; G527-S529 PolarHBondContact O-N 3.28Å
528	S	48.5	Very low	59.8	Low	83 Å²	83	102.8 Å²	102.8	58%	0.58	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	40	179.5	-52.4	0	0	0	0	112.5	R524 I525 R526	R524-S528 VanDerWaalsContact O-CB 3.25Å; R524-S528 WeakPolarHBondContact O-CB 3.42Å; R524-S528 PolarHBondContact O-N 3.21Å; R524-S528 PolarHBondContact O-OG 3.28Å; I525-S528 CarbonylContact O-C 3.4Å; I525-S528 PolarHBondContact O-N 2.83Å; R526-S528 PolarHBondContact O-N 2.98Å
529	S	43.4	Very low	56.8	Low	85 Å²	85	106 Å²	106	59%	0.594	64%	0.638	S	S	*	*			trans	-71.1	126.1	174.7	-65.6	0	0	0	0	110.4	R526 G527 S531	R526-S529 PolarHBondContact O-OG 2.98Å; G527-S529 PolarHBondContact O-N 3.28Å; S529-S531 PolarHBondContact O-N 2.99Å
530	P	46.9	Very low	54.4	Low	124 Å²	124	112.9 Å²	112.9	81%	0.805	67%	0.674	S	S	*	*			trans	-79.4	112.5	-165.7	29.6	-35.6	0	0	0	113.6	S532	P530-S532 VanDerWaalsContact C-N 3.34Å; P530-S532 PolarHBondContact O-N 2.94Å; P530-S532 VanDerWaalsContact O-N 3.11Å
531	S	40.3	Very low	51.8	Low	122 Å²	122	114.8 Å²	114.8	85%	0.853	69%	0.691	S	S	*	*			trans	-85.7	62.3	177.7	65.2	0	0	0	0	113.7	S529	S529-S531 PolarHBondContact O-N 2.99Å
532	S	38.3	Very low	49.1	Very low	107 Å²	107	115.5 Å²	115.5	75%	0.748	70%	0.704	S	S	*	*			trans	-169.4	106.6	155.7	41.8	0	0	0	0	113	P530	P530-S532 VanDerWaalsContact C-N 3.34Å; P530-S532 PolarHBondContact O-N 2.94Å; P530-S532 VanDerWaalsContact O-N 3.11Å
533	C	37.4	Very low	46.5	Very low	139 Å²	139	118.8 Å²	118.8	94%	0.939	73%	0.727	S	S	*	*			trans	-78.9	116.7	155.1	44.8	0	0	0	0	108.6
534	G	32	Very low	44.5	Very low	73 Å²	73	119.9 Å²	119.9	75%	0.753	74%	0.742	S	S	*	*			trans	-158.5	70.7	-172.8	0	0	0	0	0	111.8
535	S	36.9	Very low	42.7	Very low	119 Å²	119	119.1 Å²	119.1	83%	0.832	76%	0.755	S	S	*	*			trans	-72.8	129.5	-171.7	-51	0	0	0	0	113.6
536	S	31.5	Very low	40.6	Very low	118 Å²	118	120.1 Å²	120.1	83%	0.825	77%	0.768	S	S	*	*			trans	-162.5	145.2	140.8	-83.2	0	0	0	0	111.4
537	P	46.9	Very low	38.5	Very low	111 Å²	111	118.3 Å²	118.3	72%	0.721	77%	0.773	S	S	*	*			trans	-97.1	-176.1	-176.6	39.1	-36.4	0	0	0	113.8
538	L	35.2	Very low	37.1	Very low	168 Å²	168	120.9 Å²	120.9	88%	0.88	78%	0.775	S	S	*	*			trans	76.5	136	-178.3	-44.3	177	0	0	0	112.3
539	N	30	Very low	36.1	Very low	147 Å²	147	123 Å²	123	79%	0.786	79%	0.788	S	S	*	*			cis	-144.6	179.3	36.3	-160	4.1	0	0	0	113.3
540	I	37.3	Very low	35.5	Very low	150 Å²	150	124.3 Å²	124.3	77%	0.769	80%	0.797	S	S	*	*			trans	-123.1	117.7	-172	16.6	170.2	0	0	0	113.1
541	T	30.1	Very low	35.8	Very low	132 Å²	132	124.5 Å²	124.5	81%	0.81	80%	0.799	S	S	*	*			trans	-160.4	107	159.4	9.1	0	0	0	0	115.4
542	S	32.1	Very low	35.2	Very low	90 Å²	90	122.7 Å²	122.7	63%	0.629	80%	0.799	S	S	*	*			trans	42.3	110.7	132.4	63.4	0	0	0	0	124.5
543	T	31.3	Very low	34.7	Very low	135 Å²	135	120.8 Å²	120.8	83%	0.828	80%	0.796	S	S	*	*				73.1	177.6	128.4	69.8	0	0	0	0	118.9
544	P	39.2	Very low	34.4	Very low	111 Å²	111	124.1 Å²	124.1	72%	0.721	80%	0.795	S	S	*	*				-125.7	176.4	-97.3	34.4	-13	0	0	0	114.8
545	P	44.8	Very low	34.4	Very low	122 Å²	122	130 Å²	130	79%	0.792	80%	0.8	S	S	*	*			trans	-86.5	157.9	-173.9	34.9	-36.7	0	0	0	114.7
546	P	37.9	Very low	34.1	Very low	130 Å²	130	131.6 Å²	131.6	84%	0.844	80%	0.797	S	S	*	*			trans	-94.6	155.3	166.1	37.1	-32.3	0	0	0	112.6
547	D	28.5	Very low	34	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	79%	0.793	S	S	*	*			trans	-120.3	160.1	-173	-129.7	-34.5	0	0	0	112.2
548	T	30	Very low	33.2	Very low	125 Å²	125	135.4 Å²	135.4	77%	0.767	80%	0.797	S	S	*	*			trans	70.5	155.9	157.8	61.4	0	0	0	0	123.8
549	C	27.7	Very low	32.8	Very low	126 Å²	126	131.3 Å²	131.3	85%	0.851	80%	0.796	S	S	*	*			trans	91.9	120.1	155.3	-72.8	0	0	0	0	122.2
550	S	31.3	Very low	32.7	Very low	114 Å²	114	128.2 Å²	128.2	80%	0.797	80%	0.798	S	S	*	*			trans	-102.1	-161.5	164.9	-33.7	0	0	0	0	109.4
551	P	53.8	Low	32.4	Very low	128 Å²	128	127.6 Å²	127.6	83%	0.831	80%	0.802	S	S	*	*			cis	-135.8	178.5	-17	38.7	-20.9	0	0	0	115.5
552	G	27.1	Very low	33.3	Very low	83 Å²	83	126.5 Å²	126.5	86%	0.856	80%	0.797	S	S	*	*			trans	111.8	156.3	158.9	0	0	0	0	0	116
553	G	28	Very low	33.1	Very low	67 Å²	67	128.3 Å²	128.3	69%	0.691	80%	0.8	S	S	*	*			cis	166.9	159.3	-6.7	0	0	0	0	0	113.2
554	K	32	Very low	33.4	Very low	210 Å²	210	129 Å²	129	91%	0.913	80%	0.797	S	S	*	*			trans	77.6	133.4	-172.8	-48.8	162.6	-174.2	173.8	0	112.6
555	K	30.2	Very low	33.8	Very low	197 Å²	197	128.8 Å²	128.8	86%	0.857	80%	0.796	S	S	*	*			cis	74.3	111.8	41.5	-78.9	-163.6	172.6	-173.9	0	115.4
556	I	31.9	Very low	33	Very low	151 Å²	151	128.8 Å²	128.8	77%	0.774	80%	0.799	S	S	*	*				177.4	134.4	115.1	-92.2	164.7	0	0	0	113.8
557	Q	28.8	Very low	32.7	Very low	160 Å²	160	129.1 Å²	129.1	75%	0.748	80%	0.799	S	S	*	*			trans	35.2	130.1	152.7	-66.5	175.9	-41.5	0	0	126.5
558	N	29.8	Very low	32.5	Very low	149 Å²	149	125.4 Å²	125.4	80%	0.797	80%	0.795	S	S	*	*				51.3	131.5	122.5	-52.9	4.8	0	0	0	123.9
559	G	28	Very low	32.7	Very low	83 Å²	83	126.5 Å²	126.5	86%	0.856	80%	0.795	S	S	*	*				138.3	129.5	118.2	0	0	0	0	0	117.8
560	G	27.5	Very low	32.8	Very low	82 Å²	82	127.4 Å²	127.4	85%	0.845	79%	0.79	S	S	*	*			trans	118.8	110.4	156.3	0	0	0	0	0	118
561	T	31	Very low	33.7	Very low	136 Å²	136	127.6 Å²	127.6	83%	0.834	79%	0.788	S	S	*	*			trans	-125.7	174.5	155.4	49.4	0	0	0	0	107.5
562	P	48.2	Very low	32.4	Very low	109 Å²	109	124.6 Å²	124.6	71%	0.708	78%	0.781	S	S	*	*			cis	-122.8	-141.3	0.3	31.9	-6.1	0	0	0	110.2
563	D	28.3	Very low	33.5	Very low	129 Å²	129	126.4 Å²	126.4	69%	0.69	78%	0.778	S	S	*	*			cis	-164.6	171.1	2.2	-139.8	-23.3	0	0	0	114.3
564	L	38.1	Very low	33.4	Very low	149 Å²	149	130.3 Å²	130.3	78%	0.78	78%	0.782	S	S	*	*			trans	66.8	160.1	151.9	-71.5	167.4	0	0	0	120.9
565	P	47.8	Very low	33.2	Very low	106 Å²	106	125 Å²	125	69%	0.688	77%	0.772	S	S	*	*			trans	-134.8	-161.4	-143.6	45.8	-28.5	0	0	0	115.2
566	S	28.3	Very low	33.1	Very low	123 Å²	123	122.2 Å²	122.2	86%	0.86	77%	0.771	S	S	*	*			trans	-156.1	158.6	162.1	-81	0	0	0	0	113.8
567	T	29.7	Very low	32.7	Very low	137 Å²	137	118 Å²	118	84%	0.84	77%	0.765	S	S	*	*			trans	-133.7	157.1	-174.2	-38	0	0	0	0	110.2
568	G	25.1	Very low	32.5	Very low	70 Å²	70	121.6 Å²	121.6	72%	0.722	77%	0.773	S	S	*	*			trans	-143.1	150.8	175	0	0	0	0	0	112.3
569	I	33.5	Very low	33.6	Very low	148 Å²	148	119 Å²	119	76%	0.759	77%	0.765	S	S	*	*			trans	-160.8	157.4	-156.3	-140.4	169.8	0	0	0	115.4
570	I	31.1	Very low	33.6	Very low	144 Å²	144	125.1 Å²	125.1	74%	0.738	76%	0.763	S	S	*	*			trans	73.5	154	159.3	-86.3	170.4	0	0	0	118.7
571	P	48.9	Very low	33.7	Very low	118 Å²	118	125.1 Å²	125.1	77%	0.766	75%	0.75	S	S	*	*			cis	-99.2	-168.1	7	0.9	23.6	0	0	0	115.3
572	G	27.3	Very low	33.5	Very low	65 Å²	65	125 Å²	125	67%	0.67	75%	0.745	S	S	*	*			cis	102.7	154.9	6.9	0	0	0	0	0	113.8
573	P	50.3	Low	32.6	Very low	122 Å²	122	127.6 Å²	127.6	79%	0.792	75%	0.747	S	S	*	*			cis	-103.1	-140.9	-0.2	29.2	-7.5	0	0	0	111.1
574	D	25.2	Very low	32.5	Very low	148 Å²	148	125.8 Å²	125.8	79%	0.791	75%	0.745	S	S	*	*			cis	-154.7	-138.4	6.9	-156.4	-96.9	0	0	0	113.7
575	S	27.7	Very low	32.1	Very low	99 Å²	99	125.4 Å²	125.4	69%	0.692	74%	0.742	S	S	*	*			trans	-135.4	-168.2	-160.6	-160.4	0	0	0	0	111.9
576	V	28.6	Very low	31.1	Very low	138 Å²	138	128 Å²	128	84%	0.836	75%	0.747	S	S	*	*			cis	-155.3	154.7	15.2	-166.1	0	0	0	0	110.7
577	G	23.8	Very low	31	Very low	63 Å²	63	126.3 Å²	126.3	65%	0.649	74%	0.735	S	S	*	*			trans	141	145.9	153.3	0	0	0	0	0	118.9
578	Y	25.4	Very low	30.7	Very low	235 Å²	235	125.5 Å²	125.5	92%	0.922	73%	0.726	S	S	*	*			trans	-166.3	-178.2	-175.2	-95.1	-62.7	0	0	0	110.1
579	P	52.7	Low	30.8	Very low	95 Å²	95	128.3 Å²	128.3	62%	0.617	72%	0.724	S	S	*	*			cis	-140.1	-167	-21.1	24.6	3	0	0	0	116.3
580	Y	28.1	Very low	30.6	Very low	212 Å²	212	125.6 Å²	125.6	83%	0.831	72%	0.718	S	S	*	*			trans	77.8	146.9	162.8	-68.8	-82.9	0	0	0	121
581	S	28.4	Very low	30.4	Very low	81 Å²	81	126.4 Å²	126.4	57%	0.566	72%	0.719	S	S	*	*			cis	-174.2	155.4	-25.7	-124.8	0	0	0	0	115.9
582	N	27	Very low	29.5	Very low	134 Å²	134	127.7 Å²	127.7	72%	0.717	72%	0.718	S	S	*	*			trans	64	157.9	146.9	-65.9	13.5	0	0	0	120
583	Q	28.8	Very low	29.2	Very low	163 Å²	163	128.2 Å²	128.2	76%	0.762	71%	0.712	S	S	*	*			cis	-155.7	138.2	1.5	-122.3	169.1	-13.7	0	0	108.2
584	S	26.7	Very low	28.2	Very low	92 Å²	92	129.5 Å²	129.5	64%	0.643	71%	0.711	S	S	*	*				67.1	146.9	95	91.3	0	0	0	0	117
585	I	29.3	Very low	28.1	Very low	140 Å²	140	129 Å²	129	72%	0.718	71%	0.707	S	S	*	*			cis	-170.2	145.3	3.4	-126.9	173.5	0	0	0	111.6
586	M	26.3	Very low	28.1	Very low	161 Å²	161	130.7 Å²	130.7	79%	0.793	71%	0.707	S	S	*	*			trans	52.9	165.1	150	-62.4	179.1	90.1	0	0	120.4
587	S	26.1	Very low	28.1	Very low	87 Å²	87	132.4 Å²	132.4	61%	0.608	71%	0.709	S	S	*	*			cis	172.2	176.3	-3.9	-100.7	0	0	0	0	105.8
588	D	24.6	Very low	28.1	Very low	120 Å²	120	136 Å²	136	64%	0.642	71%	0.713	S	S	*	*			cis	-154.9	172.4	-6.5	-125.1	-61.4	0	0	0	112.3
589	N	27.8	Very low	28.4	Very low	130 Å²	130	132.4 Å²	132.4	70%	0.695	70%	0.704	S	S	*	*			trans	-11	166.4	151.2	-85.2	-63	0	0	0	122
590	S	29.4	Very low	27.7	Very low	91 Å²	91	133.6 Å²	133.6	64%	0.636	71%	0.712	S	S	*	*			cis	-170.7	162.5	16.5	29.9	0	0	0	0	113.1
591	H	26.2	Very low	27.7	Very low	160 Å²	160	126.2 Å²	126.2	74%	0.741	70%	0.701	S	S	*	*			trans	47.8	157.3	137.3	-68.6	-122.9	0	0	0	120.5
592	L	29.5	Very low	27.7	Very low	146 Å²	146	128.4 Å²	128.4	76%	0.764	72%	0.716	S	S	*	*			cis	-170.8	-176.6	-8.8	-102.8	176.8	0	0	0	105.4
593	S	22.1	Very low	27.9	Very low	76 Å²	76	127.6 Å²	127.6	53%	0.531	72%	0.721	S	S	.	*			cis	-176.5	157.3	-14.5	48.4	0	0	0	0	109.9
594	I	28.6	Very low	28.1	Very low	149 Å²	149	125 Å²	125	76%	0.764	72%	0.721	S	S	*	*			trans	69.7	143.5	147.6	-72.6	164.5	0	0	0	115.6
595	D	23.9	Very low	28.5	Very low	136 Å²	136	125.4 Å²	125.4	73%	0.727	72%	0.721	S	S	*	*			cis	-147.1	-177.2	20.2	-137.5	-19.8	0	0	0	116.7
596	I	27.3	Very low	29.3	Very low	135 Å²	135	122.3 Å²	122.3	69%	0.692	71%	0.712	S	S	*	*			trans	-64.6	149.1	-169.4	-66.2	152.3	0	0	0	119.9
597	M	27.4	Very low	30.3	Very low	175 Å²	175	120.6 Å²	120.6	86%	0.862	71%	0.706	S	S	*	*				-177.4	127.7	124.4	-100.7	-171.6	171.8	0	0	117.6
598	D	24.9	Very low	31.2	Very low	137 Å²	137	119.1 Å²	119.1	73%	0.733	69%	0.691	S	S	*	*			trans	18.5	132.4	158.8	-55.7	-23	0	0	0	127.4
599	E	32	Very low	32.4	Very low	160 Å²	160	119.4 Å²	119.4	75%	0.748	69%	0.689	S	S	*	*				13.5	152.3	130	-88.5	-84.7	96.7	0	0	121.5	G601	E599-G601 PolarHBondContact OE1-N 3.11Å; E599-G601 PolarHBondContact OE2-N 3.12Å
600	P	37	Very low	33.4	Very low	121 Å²	121	115.6 Å²	115.6	79%	0.786	68%	0.675	S	S	*	*			cis	-144.1	141.2	45.8	38.4	-17.5	0	0	0	120.9
601	G	28.2	Very low	34.2	Very low	57 Å²	57	111.6 Å²	111.6	59%	0.588	65%	0.648	S	S	*	*				84.7	115.8	121.7	0	0	0	0	0	120.3	E599	E599-G601 PolarHBondContact OE1-N 3.11Å; E599-G601 PolarHBondContact OE2-N 3.12Å
602	S	29.5	Very low	35.5	Very low	126 Å²	126	105 Å²	105	88%	0.881	62%	0.617	S	S	*	*			trans	-151.5	158	156.8	63.5	0	0	0	0	112.5
603	S	30.2	Very low	36.6	Very low	118 Å²	118	100.6 Å²	100.6	83%	0.825	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-75	134.3	-172	52.8	0	0	0	0	113.9
604	S	32.6	Very low	37.9	Very low	108 Å²	108	97.1 Å²	97.1	76%	0.755	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-65.8	138.8	176.9	57.1	0	0	0	0	113.4
605	P	35.4	Very low	39	Very low	101 Å²	101	90.3 Å²	90.3	66%	0.656	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-68.8	159.5	171.3	31.1	-35.8	0	0	0	112
606	S	46.5	Very low	40.2	Very low	75 Å²	75	84.4 Å²	84.4	52%	0.524	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-79.3	142.8	-177.4	77	0	0	0	0	112.6	D608 E609	S606-D608 PolarHBondContact O-N 3.42Å; S606-D608 VanDerWaalsContact O-N 3.11Å; S606-E609 WeakPolarHBondContact O-CB 3.32Å; S606-E609 PolarHBondContact O-N 3.28Å; S606-E609 VanDerWaalsContact O-N 3.11Å
607	N	47.3	Very low	41.1	Very low	125 Å²	125	80 Å²	80	67%	0.668	49%	0.492	S	S	*	.	H	α-helix	trans	-59.1	-25.3	179.2	-72.2	-34.9	0	0	0	113.5	F190 E609 A610 A611	F190-N607 HydrophobicContact CD2-CB 4.3Å; N607-E609 VanDerWaalsContact C-N 3.32Å; N607-E609 PolarHBondContact O-N 3.3Å; N607-A610 PolarHBondContact O-N 3.33Å; N607-A611 PolarHBondContact O-N 3.42Å; N607-A611 VanDerWaalsContact O-N 3.14Å
608	D	44.8	Very low	42	Very low	55 Å²	55	72.5 Å²	72.5	29%	0.294	46%	0.456	S	S	.	.	H	α-helix	trans	-58.3	-39	175.1	-98	64.3	0	0	0	113.2	K167 F190 S606 A611 M612	K167-D608 WeakPolarHBondContact CE-OD2 3.33Å; K167-D608 IonicContact NZ-OD2 3.48Å; K167-D608 PolarHBondContact NZ-OD2 2.9Å; F190-D608 VanDerWaalsContact CE2-OD1 3.31Å; F190-D608 WeakPolarHBondContact CE2-OD1 3.37Å; S606-D608 PolarHBondContact O-N 3.42Å; S606-D608 VanDerWaalsContact O-N 3.11Å; D608-A611 PolarHBondContact O-N 3.08Å; D608-M612 WeakPolarHBondContact O-CB 3.32Å; D608-M612 WeakPolarHBondContact O-CG 3.43Å; D608-M612 PolarHBondContact O-N 3.49Å
609	E	50.3	Low	42.8	Very low	126 Å²	126	69.7 Å²	69.7	59%	0.589	44%	0.44	S	S	*	.	H	α-helix	trans	-69.5	-43.9	-177	-170.3	178.4	-178.9	0	0	110.9	S606 N607 A611 M612 A613	S606-E609 WeakPolarHBondContact O-CB 3.32Å; S606-E609 PolarHBondContact O-N 3.28Å; S606-E609 VanDerWaalsContact O-N 3.11Å; N607-E609 VanDerWaalsContact C-N 3.32Å; N607-E609 PolarHBondContact O-N 3.3Å; E609-A611 VanDerWaalsContact C-N 3.35Å; E609-A611 PolarHBondContact O-N 3.21Å; E609-M612 PolarHBondContact O-N 3.45Å; E609-A613 WeakPolarHBondContact O-CB 3.47Å; E609-A613 PolarHBondContact O-N 2.85Å
610	A	48.7	Very low	43.3	Very low	50 Å²	50	66.8 Å²	66.8	41%	0.413	43%	0.427	S	S	.	.	H	α-helix	trans	-64.3	-37.9	175.2	0	0	0	0	0	112.4	N607	N607-A610 PolarHBondContact O-N 3.33Å
611	A	46	Very low	43.6	Very low	7 Å²	7	62.9 Å²	62.9	6%	0.058	41%	0.405	C	S	.	.	H	α-helix	trans	-67.5	-42.5	174.5	0	0	0	0	0	111.8	L178 F190 N607 D608 E609 V614 I615	L178-A611 HydrophobicContact CD2-CB 4.46Å; F190-A611 HydrophobicContact CD1-CB 3.69Å; F190-A611 HydrophobicContact CD2-CB 4.38Å; F190-A611 HydrophobicContact CE1-CB 3.65Å; F190-A611 HydrophobicContact CE2-CB 4.34Å; F190-A611 HydrophobicContact CG-CB 4.08Å; F190-A611 HydrophobicContact CZ-CB 3.99Å; N607-A611 PolarHBondContact O-N 3.42Å; N607-A611 VanDerWaalsContact O-N 3.14Å; D608-A611 PolarHBondContact O-N 3.08Å; E609-A611 VanDerWaalsContact C-N 3.35Å; E609-A611 PolarHBondContact O-N 3.21Å; A611-V614 WeakPolarHBondContact O-CB 3.41Å; A611-V614 PolarHBondContact O-N 3.48Å; A611-V614 VanDerWaalsContact O-N 3.15Å; A611-I615 PolarHBondContact O-N 2.64Å
612	M	53.4	Low	43.9	Very low	21 Å²	21	64.8 Å²	64.8	10%	0.103	40%	0.402	C	S	.	.	H	α-helix	trans	-60.4	-47.1	175.4	-85.5	-55.3	-49.3	0	0	112.6	K167 D608 E609 V614 I615 M616	K167-M612 HydrophobicContact CB-CE 3.63Å; K167-M612 HydrophobicContact CB-CG 4.32Å; K167-M612 HydrophobicContact CB-SD 3.59Å; K167-M612 VanDerWaalsContact CB-SD 3.59Å; K167-M612 HydrophobicContact CD-CG 3.79Å; K167-M612 HydrophobicContact CD-SD 3.87Å; K167-M612 HydrophobicContact CG-CE 4.22Å; K167-M612 HydrophobicContact CG-CG 4.09Å; K167-M612 HydrophobicContact CG-SD 3.45Å; K167-M612 WeakPolarHBondContact CG-SD 3.36Å; D608-M612 WeakPolarHBondContact O-CB 3.32Å; D608-M612 WeakPolarHBondContact O-CG 3.43Å; D608-M612 PolarHBondContact O-N 3.49Å; E609-M612 PolarHBondContact O-N 3.45Å; M612-V614 CarbonylContact O-C 3.4Å; M612-V614 PolarHBondContact O-N 3Å; M612-I615 HydrophobicContact CE-CD1 4.16Å; M612-I615 PolarHBondContact O-N 2.7Å; M612-I615 HydrophobicContact SD-CD1 3.52Å; M612-I615 VanDerWaalsContact SD-CD1 3.52Å; M612-I615 HydrophobicContact SD-CG1 4.35Å; M612-M616 HydrophobicContact CE-CG 4.03Å; M612-M616 HydrophobicContact CE-SD 3.96Å; M612-M616 WeakPolarHBondContact O-CG 3.38Å; M612-M616 PolarHBondContact O-N 2.88Å; M612-M616 VanDerWaalsContact O-N 3.13Å
613	A	53	Low	44.5	Very low	55 Å²	55	62.8 Å²	62.8	46%	0.455	39%	0.393	S	S	.	.	H	α-helix	trans	-56.6	-23.3	176.6	0	0	0	0	0	112.9	E609 S617	E609-A613 WeakPolarHBondContact O-CB 3.47Å; E609-A613 PolarHBondContact O-N 2.85Å; A613-S617 PolarHBondContact O-OG 2.82Å
614	V	49.8	Very low	45	Very low	2 Å²	2	60.3 Å²	60.3	1%	0.012	39%	0.385	C	S	.	.	H	α-helix	trans	-74	-51.9	168.5	-169.8	0	0	0	0	112	K308 W310 V334 A611 M612 M616 S617 L618	K308-V614 HydrophobicContact CD-CG1 3.98Å; K308-V614 HydrophobicContact CD-CG2 4Å; W310-V614 HydrophobicContact CH2-CG2 4.13Å; W310-V614 HydrophobicContact CZ2-CG2 3.6Å; V334-V614 HydrophobicContact CB-CG1 3.86Å; V334-V614 HydrophobicContact CG1-CB 4.09Å; V334-V614 HydrophobicContact CG1-CG1 3.77Å; V334-V614 HydrophobicContact CG2-CB 4.41Å; V334-V614 HydrophobicContact CG2-CG1 3.86Å; V334-V614 HydrophobicContact CG2-CG2 4.36Å; A611-V614 WeakPolarHBondContact O-CB 3.41Å; A611-V614 PolarHBondContact O-N 3.48Å; A611-V614 VanDerWaalsContact O-N 3.15Å; M612-V614 CarbonylContact O-C 3.4Å; M612-V614 PolarHBondContact O-N 3Å; V614-M616 PolarHBondContact O-N 3.36Å; V614-S617 CarbonylContact O-C 3.54Å; V614-S617 PolarHBondContact O-N 2.83Å; V614-S617 VanDerWaalsContact O-N 3.1Å; V614-L618 HydrophobicContact CG1-CD1 4.44Å; V614-L618 HydrophobicContact CG1-CD2 3.76Å; V614-L618 HydrophobicContact CG1-CG 4.02Å; V614-L618 VanDerWaalsContact O-CG 3.31Å; V614-L618 WeakPolarHBondContact O-CG 3.36Å; V614-L618 PolarHBondContact O-N 2.9Å
615	I	49.8	Very low	45.2	Very low	7 Å²	7	63.4 Å²	63.4	4%	0.036	39%	0.393	C	S	.	.	H	α-helix	trans	-51.1	-44.4	-177.9	-47.1	-175.7	0	0	0	111.1	I170 L178 A611 M612 S617 L618 L619	I170-I615 HydrophobicContact CD1-CG2 4.46Å; I170-I615 HydrophobicContact CG2-CG2 4.36Å; L178-I615 HydrophobicContact CD1-CD1 3.43Å; L178-I615 VanDerWaalsContact CD1-CD1 3.43Å; L178-I615 HydrophobicContact CD1-CG1 3.32Å; A611-I615 PolarHBondContact O-N 2.64Å; M612-I615 HydrophobicContact CE-CD1 4.16Å; M612-I615 PolarHBondContact O-N 2.7Å; M612-I615 HydrophobicContact SD-CD1 3.52Å; M612-I615 VanDerWaalsContact SD-CD1 3.52Å; M612-I615 HydrophobicContact SD-CG1 4.35Å; I615-S617 PolarHBondContact O-N 3.38Å; I615-L618 WeakPolarHBondContact O-CA 3.38Å; I615-L618 WeakPolarHBondContact O-CB 3.27Å; I615-L618 PolarHBondContact O-N 3.48Å; I615-L619 HydrophobicContact CG2-CD1 4.46Å; I615-L619 PolarHBondContact O-N 3.13Å
616	M	49.8	Very low	45	Very low	12 Å²	12	62.9 Å²	62.9	6%	0.059	41%	0.406	C	S	.	.	H	α-helix	trans	-59.8	-48.5	-176.1	-60.5	-75.1	-93.9	0	0	109.6	Y156 K157 D163 L166 M612 V614 L618 L619	Y156-M616 HydrophobicContact CE2-CB 3.77Å; Y156-M616 HydrophobicContact CE2-CE 3.86Å; Y156-M616 HydrophobicContact CE2-CG 4.35Å; Y156-M616 HydrophobicContact CE2-SD 3.81Å; K157-M616 HydrophobicContact CD-CE 4.33Å; D163-M616 HydrophobicContact CB-CE 4.18Å; D163-M616 WeakPolarHBondContact OD1-CE 3.36Å; L166-M616 HydrophobicContact CD2-CE 3.96Å; L166-M616 HydrophobicContact CD2-SD 3.84Å; L166-M616 HydrophobicContact CG-SD 4.31Å; M612-M616 HydrophobicContact CE-CG 4.03Å; M612-M616 HydrophobicContact CE-SD 3.96Å; M612-M616 WeakPolarHBondContact O-CG 3.38Å; M612-M616 PolarHBondContact O-N 2.88Å; M612-M616 VanDerWaalsContact O-N 3.13Å; V614-M616 PolarHBondContact O-N 3.36Å; M616-L618 VanDerWaalsContact C-N 3.35Å; M616-L618 PolarHBondContact O-N 2.92Å; M616-L619 PolarHBondContact O-N 3.44Å
617	S	47.3	Very low	44.4	Very low	42 Å²	42	62.1 Å²	62.1	29%	0.294	41%	0.409	S	S	.	.	H	α-helix	trans	-65.9	-27.2	169.3	-58.1	0	0	0	0	115	L258 A613 V614 I615 L619	L258-S617 WeakPolarHBondContact CD1-O 3.31Å; A613-S617 PolarHBondContact O-OG 2.82Å; V614-S617 CarbonylContact O-C 3.54Å; V614-S617 PolarHBondContact O-N 2.83Å; V614-S617 VanDerWaalsContact O-N 3.1Å; I615-S617 PolarHBondContact O-N 3.38Å; S617-L619 VanDerWaalsContact C-N 3.33Å
618	L	46.1	Very low	43.7	Very low	17 Å²	17	62.7 Å²	62.7	9%	0.089	42%	0.42	C	S	.	.	H	α-helix	trans	-66.8	-35.4	175.8	-56.9	-168.3	0	0	0	112	L258 Y306 V334 V614 I615 M616 A621	L258-L618 HydrophobicContact CD1-CD2 3.56Å; L258-L618 HydrophobicContact CD2-CD2 4.12Å; Y306-L618 HydrophobicContact CD2-CB 4.2Å; Y306-L618 HydrophobicContact CD2-CD1 4.04Å; Y306-L618 HydrophobicContact CD2-CD2 3.66Å; Y306-L618 HydrophobicContact CD2-CG 4.14Å; Y306-L618 HydrophobicContact CE2-CB 4.24Å; Y306-L618 HydrophobicContact CE2-CD2 4.45Å; Y306-L618 HydrophobicContact CG-CD2 3.99Å; V334-L618 HydrophobicContact CG1-CD1 4.23Å; V614-L618 HydrophobicContact CG1-CD1 4.44Å; V614-L618 HydrophobicContact CG1-CD2 3.76Å; V614-L618 HydrophobicContact CG1-CG 4.02Å; V614-L618 VanDerWaalsContact O-CG 3.31Å; V614-L618 WeakPolarHBondContact O-CG 3.36Å; V614-L618 PolarHBondContact O-N 2.9Å; I615-L618 WeakPolarHBondContact O-CA 3.38Å; I615-L618 WeakPolarHBondContact O-CB 3.27Å; I615-L618 PolarHBondContact O-N 3.48Å; M616-L618 VanDerWaalsContact C-N 3.35Å; M616-L618 PolarHBondContact O-N 2.92Å; L618-A621 PolarHBondContact O-N 2.73Å
619	L	41.8	Very low	43.2	Very low	79 Å²	79	65.1 Å²	65.1	41%	0.414	44%	0.436	S	S	.	.	H	α-helix	trans	-72.4	-30.1	-178.6	-69.7	173.4	0	0	0	112.7	I170 I615 M616 S617 A621	I170-L619 HydrophobicContact CD1-CD1 3.53Å; I170-L619 HydrophobicContact CG1-CD1 4.21Å; I615-L619 HydrophobicContact CG2-CD1 4.46Å; I615-L619 PolarHBondContact O-N 3.13Å; M616-L619 PolarHBondContact O-N 3.44Å; S617-L619 VanDerWaalsContact C-N 3.33Å; L619-A621 PolarHBondContact O-N 3.49Å
620	E	42.4	Very low	42.2	Very low	98 Å²	98	65.3 Å²	65.3	46%	0.458	44%	0.441	S	S	.	.	H	α-helix	trans	-57.6	-28.8	172.9	-64	163.1	-166.2	0	0	112.5	Y156	Y156-E620 HydrophobicContact CD1-CG 3.64Å; Y156-E620 HydrophobicContact CE1-CG 3.6Å; Y156-E620 WeakPolarHBondContact CE1-OE1 3.25Å; Y156-E620 PolarHBondContact OH-OE1 2.97Å
621	A	43.5	Very low	41.6	Very low	40 Å²	40	70.7 Å²	70.7	33%	0.331	46%	0.456	S	S	.	.	H	α-helix	trans	-89.9	-26.7	-170.6	0	0	0	0	0	115.4	L258 Y306 L618 L619	L258-A621 HydrophobicContact CB-CB 3.95Å; L258-A621 HydrophobicContact CD1-CB 4.01Å; Y306-A621 HydrophobicContact CE1-CB 4.31Å; L618-A621 PolarHBondContact O-N 2.73Å; L619-A621 PolarHBondContact O-N 3.49Å
622	D	33.8	Very low	40.9	Very low	97 Å²	97	74.7 Å²	74.7	52%	0.519	48%	0.483	S	S	.	.	H	α-helix	trans	-93	-8	-172	-132.8	39.4	0	0	0	113.4	R263 Y306	R263-D622 IonicContact CZ-OD1 3.51Å; R263-D622 VanDerWaalsContact CZ-OD1 3.24Å; R263-D622 IonicContact CZ-OD2 2.72Å; R263-D622 IonicContact NE-OD1 2.69Å; R263-D622 PolarHBondContact NE-OD1 3.05Å; R263-D622 IonicContact NE-OD2 3.69Å; R263-D622 VanDerWaalsContact NH2-CG 3.26Å; R263-D622 IonicContact NH2-OD1 2.79Å; R263-D622 PolarHBondContact NH2-OD1 2.7Å; R263-D622 IonicContact NH2-OD2 2.67Å; R263-D622 PolarHBondContact NH2-OD2 3.45Å; Y306-D622 PolarHBondContact OH-OD1 2.94Å; Y306-D622 VanDerWaalsContact OH-OD1 3.1Å
623	A	41.1	Very low	40	Very low	84 Å²	84	81 Å²	81	69%	0.694	52%	0.518	S	S	*	.			trans	-82.1	-7	-178.5	0	0	0	0	0	114.9	L625	A623-L625 PolarHBondContact O-N 3.07Å; A623-L625 VanDerWaalsContact O-N 3.12Å
624	G	42.3	Very low	39.1	Very low	65 Å²	65	84.5 Å²	84.5	67%	0.67	53%	0.528	S	S	*	.			trans	-86.6	54	-163.1	0	0	0	0	0	117.8
625	L	36.2	Very low	38.3	Very low	174 Å²	174	90.3 Å²	90.3	91%	0.911	57%	0.566	S	S	*	*			trans	-144.3	117.6	167.4	-77.8	-179.4	0	0	0	112.5	A623	A623-L625 PolarHBondContact O-N 3.07Å; A623-L625 VanDerWaalsContact O-N 3.12Å
626	G	31.6	Very low	37.5	Very low	90 Å²	90	101.1 Å²	101.1	93%	0.928	61%	0.606	S	S	*	*			trans	178.7	34.6	-178.2	0	0	0	0	0	118
627	G	32.4	Very low	37.1	Very low	58 Å²	58	106.2 Å²	106.2	60%	0.598	64%	0.64	S	S	*	*	S	Bend	trans	-154.7	145.6	175.5	0	0	0	0	0	112.9	V629	G627-V629 PolarHBondContact O-N 3.42Å
628	P	33.7	Very low	36.5	Very low	138 Å²	138	116.1 Å²	116.1	90%	0.896	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-73.2	124.7	177	30.1	-32.8	0	0	0	110.3
629	V	33.9	Very low	36	Very low	105 Å²	105	121.1 Å²	121.1	64%	0.636	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-87.9	118.9	168.3	178.2	0	0	0	0	107.8	G627 F631	G627-V629 PolarHBondContact O-N 3.42Å; V629-F631 HydrophobicContact CB-CE2 3.91Å; V629-F631 HydrophobicContact CB-CZ 4.11Å; V629-F631 HydrophobicContact CG1-CD1 4.48Å; V629-F631 HydrophobicContact CG1-CD2 4.27Å; V629-F631 HydrophobicContact CG1-CE1 4.08Å; V629-F631 HydrophobicContact CG1-CE2 3.86Å; V629-F631 HydrophobicContact CG1-CZ 3.75Å; V629-F631 VanDerWaalsContact O-CD2 3.27Å; V629-F631 WeakPolarHBondContact O-CD2 3.43Å; V629-F631 WeakPolarHBondContact O-CE2 3.31Å
630	D	29.9	Very low	35.7	Very low	130 Å²	130	123.3 Å²	123.3	70%	0.695	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-75.5	135.9	167.4	-163.6	-30.7	0	0	0	109	S632	D630-S632 WeakPolarHBondContact OD1-CB 3.33Å; D630-S632 PolarHBondContact OD1-N 3.11Å; D630-S632 PolarHBondContact OD1-OG 2.94Å
631	F	35.3	Very low	35.3	Very low	163 Å²	163	124.7 Å²	124.7	72%	0.715	75%	0.75	S	S	*	*			trans	-112.4	18.1	-175.9	-74.7	-81	0	0	0	112.7	V629 D633	V629-F631 HydrophobicContact CB-CE2 3.91Å; V629-F631 HydrophobicContact CB-CZ 4.11Å; V629-F631 HydrophobicContact CG1-CD1 4.48Å; V629-F631 HydrophobicContact CG1-CD2 4.27Å; V629-F631 HydrophobicContact CG1-CE1 4.08Å; V629-F631 HydrophobicContact CG1-CE2 3.86Å; V629-F631 HydrophobicContact CG1-CZ 3.75Å; V629-F631 VanDerWaalsContact O-CD2 3.27Å; V629-F631 WeakPolarHBondContact O-CD2 3.43Å; V629-F631 WeakPolarHBondContact O-CE2 3.31Å; F631-D633 PolarHBondContact O-N 3.31Å
632	S	32.5	Very low	34.8	Very low	91 Å²	91	129.7 Å²	129.7	64%	0.636	78%	0.775	S	S	*	*			trans	-63.8	-30.8	-172.8	-65.3	0	0	0	0	115.2	D630	D630-S632 WeakPolarHBondContact OD1-CB 3.33Å; D630-S632 PolarHBondContact OD1-N 3.11Å; D630-S632 PolarHBondContact OD1-OG 2.94Å
633	D	33.5	Very low	34.9	Very low	154 Å²	154	131.8 Å²	131.8	82%	0.824	79%	0.791	S	S	*	*			trans	-122.5	66.2	-167.2	-68.9	-62.9	0	0	0	114.6	F631	F631-D633 PolarHBondContact O-N 3.31Å
634	L	33.5	Very low	34.5	Very low	129 Å²	129	134.9 Å²	134.9	68%	0.675	80%	0.797	S	S	*	*			trans	-131.1	112	165.6	-82.8	173.4	0	0	0	111.8
635	P	34	Very low	33.9	Very low	124 Å²	124	139.9 Å²	139.9	81%	0.805	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.8	123.5	178	31.3	-32.8	0	0	0	111.4
636	W	32.9	Very low	33.7	Very low	234 Å²	234	137.3 Å²	137.3	89%	0.886	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-82.8	130.3	172.7	-65	88.2	0	0	0	110.9
637	P	40.5	Very low	33.9	Very low	118 Å²	118	141.3 Å²	141.3	77%	0.766	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-69.6	149.5	158.6	31.5	-32.5	0	0	0	110.1
638	L	34.8	Very low	34	Very low	251 Å²	251	148.8 Å²	148.8	100%	1.314	81%	0.805	S	S	*	*			trans	-78	0	-178.4	-67.5	167.4	0	0	0	113

Retrieved 638 of 638 residues in 599.2 ms (Link to these results)

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